smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1CCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000903107378 710892809 /nfs/dbraw/zinc/89/28/09/710892809.db2.gz SOIFRERPIHHPDC-OLZOCXBDSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000385552704 711015194 /nfs/dbraw/zinc/01/51/94/711015194.db2.gz XNDLMDDNHVHYFE-SNVBAGLBSA-N 2 2 247.317 2.153 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000385552704 711015197 /nfs/dbraw/zinc/01/51/97/711015197.db2.gz XNDLMDDNHVHYFE-SNVBAGLBSA-N 2 2 247.317 2.153 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[NH+](C)C ZINC000389439768 711078665 /nfs/dbraw/zinc/07/86/65/711078665.db2.gz GVAVKECLXPXCAV-YNEHKIRRSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H]1C)[NH+](C)C ZINC000389439765 711078945 /nfs/dbraw/zinc/07/89/45/711078945.db2.gz GVAVKECLXPXCAV-UPJWGTAASA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C ZINC000389561115 711080246 /nfs/dbraw/zinc/08/02/46/711080246.db2.gz BMKSNIBWMMEFBX-LLVKDONJSA-N 2 2 207.321 2.101 20 0 BEADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C ZINC000389561115 711080250 /nfs/dbraw/zinc/08/02/50/711080250.db2.gz BMKSNIBWMMEFBX-LLVKDONJSA-N 2 2 207.321 2.101 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000390344574 711112482 /nfs/dbraw/zinc/11/24/82/711112482.db2.gz NTOZEWAZMYGTEY-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000390344574 711112484 /nfs/dbraw/zinc/11/24/84/711112484.db2.gz NTOZEWAZMYGTEY-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000390344585 711113376 /nfs/dbraw/zinc/11/33/76/711113376.db2.gz NTOZEWAZMYGTEY-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000390344585 711113378 /nfs/dbraw/zinc/11/33/78/711113378.db2.gz NTOZEWAZMYGTEY-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000390418197 711116865 /nfs/dbraw/zinc/11/68/65/711116865.db2.gz IIUSQBWBSIUSMO-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000390418197 711116871 /nfs/dbraw/zinc/11/68/71/711116871.db2.gz IIUSQBWBSIUSMO-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CSC(C)(C)CC[NH2+]CC[NH+]1CCCC1 ZINC000395319469 711207395 /nfs/dbraw/zinc/20/73/95/711207395.db2.gz AMKMYPHGHLHSJN-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396567802 711355123 /nfs/dbraw/zinc/35/51/23/711355123.db2.gz WLGMVDJZOVRJFG-IUODEOHRSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000381255903 710612952 /nfs/dbraw/zinc/61/29/52/710612952.db2.gz QUJTWAJLSVCUJM-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000381255903 710612956 /nfs/dbraw/zinc/61/29/56/710612956.db2.gz QUJTWAJLSVCUJM-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000723649127 711530647 /nfs/dbraw/zinc/53/06/47/711530647.db2.gz ZGRDFXUSPKLXIJ-OAHLLOKOSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257681578 711796905 /nfs/dbraw/zinc/79/69/05/711796905.db2.gz LEZPXUNNSMKIDJ-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257681578 711796907 /nfs/dbraw/zinc/79/69/07/711796907.db2.gz LEZPXUNNSMKIDJ-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCCC2(CC2)CC1 ZINC000702503471 712052859 /nfs/dbraw/zinc/05/28/59/712052859.db2.gz AQYBWSNKBQVNTO-JTQLQIEISA-N 2 2 232.318 2.235 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCCC2(CC2)CC1 ZINC000702503471 712052860 /nfs/dbraw/zinc/05/28/60/712052860.db2.gz AQYBWSNKBQVNTO-JTQLQIEISA-N 2 2 232.318 2.235 20 0 BEADLP Cc1cnccc1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000705303261 712127656 /nfs/dbraw/zinc/12/76/56/712127656.db2.gz JAUWTXPCMHHHDN-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1cnccc1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000705303261 712127658 /nfs/dbraw/zinc/12/76/58/712127658.db2.gz JAUWTXPCMHHHDN-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711165421 712287352 /nfs/dbraw/zinc/28/73/52/712287352.db2.gz CJRQTUDQZHVQKL-YIYPIFLZSA-N 2 2 233.359 2.440 20 0 BEADLP CC[N@@H+]1CC[C@@H]1CNc1[nH+]c2ccccc2n1C ZINC000712606416 712437468 /nfs/dbraw/zinc/43/74/68/712437468.db2.gz NAGACDVTTBQNPH-LLVKDONJSA-N 2 2 244.342 2.079 20 0 BEADLP CC[N@H+]1CC[C@@H]1CNc1[nH+]c2ccccc2n1C ZINC000712606416 712437470 /nfs/dbraw/zinc/43/74/70/712437470.db2.gz NAGACDVTTBQNPH-LLVKDONJSA-N 2 2 244.342 2.079 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714375992 712485200 /nfs/dbraw/zinc/48/52/00/712485200.db2.gz XLLZVDQAFZHDLW-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714375992 712485201 /nfs/dbraw/zinc/48/52/01/712485201.db2.gz XLLZVDQAFZHDLW-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CC1 ZINC000037167113 712549829 /nfs/dbraw/zinc/54/98/29/712549829.db2.gz VIKSPJJNUFYVEG-AAEUAGOBSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccns1 ZINC000715989741 712551012 /nfs/dbraw/zinc/55/10/12/712551012.db2.gz HKYCQWUBYFPELU-SNVBAGLBSA-N 2 2 236.344 2.081 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000718027286 712736589 /nfs/dbraw/zinc/73/65/89/712736589.db2.gz USYHUKPFBUTJGB-CYBMUJFWSA-N 2 2 236.359 2.410 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1cc(C)co1 ZINC000718055016 712739543 /nfs/dbraw/zinc/73/95/43/712739543.db2.gz XVWBDYSDWNRNTK-UHFFFAOYSA-N 2 2 224.348 2.410 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000718860210 712786491 /nfs/dbraw/zinc/78/64/91/712786491.db2.gz ONNDBDCSAIXWIS-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP C[NH2+]CC[N@H+](Cc1cccc(C)c1)C(C)C ZINC000720736872 712862971 /nfs/dbraw/zinc/86/29/71/712862971.db2.gz GBHNOWSCEPUBNM-UHFFFAOYSA-N 2 2 220.360 2.425 20 0 BEADLP C[NH2+]CC[N@@H+](Cc1cccc(C)c1)C(C)C ZINC000720736872 712862972 /nfs/dbraw/zinc/86/29/72/712862972.db2.gz GBHNOWSCEPUBNM-UHFFFAOYSA-N 2 2 220.360 2.425 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720770731 712864619 /nfs/dbraw/zinc/86/46/19/712864619.db2.gz XYCVMGGMXKOHSI-CQSZACIVSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720770731 712864621 /nfs/dbraw/zinc/86/46/21/712864621.db2.gz XYCVMGGMXKOHSI-CQSZACIVSA-N 2 2 232.371 2.418 20 0 BEADLP CCC[C@@H](C)C[N@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720927282 712879675 /nfs/dbraw/zinc/87/96/75/712879675.db2.gz WGAIUIBNMLCZRQ-OPRDCNLKSA-N 2 2 238.297 2.244 20 0 BEADLP CCC[C@@H](C)C[N@@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720927282 712879677 /nfs/dbraw/zinc/87/96/77/712879677.db2.gz WGAIUIBNMLCZRQ-OPRDCNLKSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797066 960310040 /nfs/dbraw/zinc/31/00/40/960310040.db2.gz ISVQHVPNDVIGGD-MNOVXSKESA-N 2 2 232.318 2.248 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797066 960310043 /nfs/dbraw/zinc/31/00/43/960310043.db2.gz ISVQHVPNDVIGGD-MNOVXSKESA-N 2 2 232.318 2.248 20 0 BEADLP C[N@H+]1CCCC[C@H]1c1ccc(NC=[NH2+])nc1 ZINC001167865870 961347159 /nfs/dbraw/zinc/34/71/59/961347159.db2.gz WEAFMUBXAKSEIY-NSHDSACASA-N 2 2 218.304 2.257 20 0 BEADLP Cc1nc(N(C)C(C)(C)C[NH3+])cc(C(C)C)[nH+]1 ZINC000709800804 961621159 /nfs/dbraw/zinc/62/11/59/961621159.db2.gz VOFGYEAVDGPODU-UHFFFAOYSA-N 2 2 236.363 2.082 20 0 BEADLP [NH3+][C@H]1CC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001236169725 966285505 /nfs/dbraw/zinc/28/55/05/966285505.db2.gz NZPVMDPWBNJRBY-ZDUSSCGKSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001236169725 966285517 /nfs/dbraw/zinc/28/55/17/966285517.db2.gz NZPVMDPWBNJRBY-ZDUSSCGKSA-N 2 2 238.762 2.306 20 0 BEADLP Cc1cc[nH+]c(C)c1C1=CCC[NH2+]CC1 ZINC001238945710 966799012 /nfs/dbraw/zinc/79/90/12/966799012.db2.gz SOXQDILGBPQMAA-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711191639 967995418 /nfs/dbraw/zinc/99/54/18/967995418.db2.gz GNDALDZBRCDPSF-WUHRBBMRSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cscn2)C1 ZINC001206550134 968376021 /nfs/dbraw/zinc/37/60/21/968376021.db2.gz VWMLJXQEUVJXEY-LBPRGKRZSA-N 2 2 239.388 2.094 20 0 BEADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cscn2)C1 ZINC001206550134 968376029 /nfs/dbraw/zinc/37/60/29/968376029.db2.gz VWMLJXQEUVJXEY-LBPRGKRZSA-N 2 2 239.388 2.094 20 0 BEADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000118276901 1166001559 /nfs/dbraw/zinc/00/15/59/1166001559.db2.gz XQXZYVRCZWGWCA-KGLIPLIRSA-N 3 2 243.439 2.037 20 0 BEADLP CC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000086386644 1166005426 /nfs/dbraw/zinc/00/54/26/1166005426.db2.gz SMXYWULJWIGYEQ-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000086386644 1166005430 /nfs/dbraw/zinc/00/54/30/1166005430.db2.gz SMXYWULJWIGYEQ-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000395164017 1166091068 /nfs/dbraw/zinc/09/10/68/1166091068.db2.gz BKIMKILVXONCQI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000395164017 1166091076 /nfs/dbraw/zinc/09/10/76/1166091076.db2.gz BKIMKILVXONCQI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001208604802 969153039 /nfs/dbraw/zinc/15/30/39/969153039.db2.gz WDCIAHIRYLZYDF-NSHDSACASA-N 2 2 244.329 2.059 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001208604802 969153042 /nfs/dbraw/zinc/15/30/42/969153042.db2.gz WDCIAHIRYLZYDF-NSHDSACASA-N 2 2 244.329 2.059 20 0 BEADLP [NH3+][C@H]1CCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000227673326 1166260194 /nfs/dbraw/zinc/26/01/94/1166260194.db2.gz MUFJRLRJAPZSRY-MNOVXSKESA-N 2 2 205.305 2.011 20 0 BEADLP CCOC(C)(C)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001209074324 969347310 /nfs/dbraw/zinc/34/73/10/969347310.db2.gz AKGKKFGFPCIAJV-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CCOC(C)(C)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001209074324 969347313 /nfs/dbraw/zinc/34/73/13/969347313.db2.gz AKGKKFGFPCIAJV-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP C[N@@H+](Cc1c[nH+]ccc1N)CC1CCCC1 ZINC001209732081 969582749 /nfs/dbraw/zinc/58/27/49/969582749.db2.gz WMNAIKFUSLETLL-UHFFFAOYSA-N 2 2 219.332 2.116 20 0 BEADLP C[N@H+](Cc1c[nH+]ccc1N)CC1CCCC1 ZINC001209732081 969582755 /nfs/dbraw/zinc/58/27/55/969582755.db2.gz WMNAIKFUSLETLL-UHFFFAOYSA-N 2 2 219.332 2.116 20 0 BEADLP C[C@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209731571 969592795 /nfs/dbraw/zinc/59/27/95/969592795.db2.gz TXXHAGQTRZYAIT-QWRGUYRKSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209731571 969592800 /nfs/dbraw/zinc/59/28/00/969592800.db2.gz TXXHAGQTRZYAIT-QWRGUYRKSA-N 2 2 219.332 2.115 20 0 BEADLP CCCCC(=O)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254506704 969673219 /nfs/dbraw/zinc/67/32/19/969673219.db2.gz XXZRBKRXTNAMDS-STQMWFEESA-N 2 2 240.391 2.208 20 0 BEADLP CCCCC(=O)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254506704 969673232 /nfs/dbraw/zinc/67/32/32/969673232.db2.gz XXZRBKRXTNAMDS-STQMWFEESA-N 2 2 240.391 2.208 20 0 BEADLP C[C@@H](CC[N@@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC001210398208 969883475 /nfs/dbraw/zinc/88/34/75/969883475.db2.gz BHKPTUIOEQVTGT-QWHCGFSZSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H](CC[N@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC001210398208 969883477 /nfs/dbraw/zinc/88/34/77/969883477.db2.gz BHKPTUIOEQVTGT-QWHCGFSZSA-N 2 2 242.407 2.108 20 0 BEADLP CC[C@@H](C)CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000394448047 1166582709 /nfs/dbraw/zinc/58/27/09/1166582709.db2.gz JYDSHHZQANKWSV-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000394448047 1166582717 /nfs/dbraw/zinc/58/27/17/1166582717.db2.gz JYDSHHZQANKWSV-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCSCC1 ZINC000111393091 1166622222 /nfs/dbraw/zinc/62/22/22/1166622222.db2.gz YCLSDLKEFWSZFY-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCSCC1 ZINC000111393091 1166622225 /nfs/dbraw/zinc/62/22/25/1166622225.db2.gz YCLSDLKEFWSZFY-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)CC(F)(F)F)C2 ZINC001255653758 970431758 /nfs/dbraw/zinc/43/17/58/970431758.db2.gz VQPWNZJDZYFWIP-MRVPVSSYSA-N 2 2 247.264 2.348 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)CC(F)(F)F)C2 ZINC001255653758 970431768 /nfs/dbraw/zinc/43/17/68/970431768.db2.gz VQPWNZJDZYFWIP-MRVPVSSYSA-N 2 2 247.264 2.348 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000226050154 1166813741 /nfs/dbraw/zinc/81/37/41/1166813741.db2.gz PDPRENCSMAJGSU-SECBINFHSA-N 2 2 224.270 2.013 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCCC(F)(F)F ZINC000226050154 1166813747 /nfs/dbraw/zinc/81/37/47/1166813747.db2.gz PDPRENCSMAJGSU-SECBINFHSA-N 2 2 224.270 2.013 20 0 BEADLP COc1ccccc1C[C@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405848942 1166890045 /nfs/dbraw/zinc/89/00/45/1166890045.db2.gz WNBOKJSNWYEFIM-SWLSCSKDSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1C[C@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405848942 1166890051 /nfs/dbraw/zinc/89/00/51/1166890051.db2.gz WNBOKJSNWYEFIM-SWLSCSKDSA-N 2 2 248.370 2.049 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000231437764 1166890847 /nfs/dbraw/zinc/89/08/47/1166890847.db2.gz WQCQODDWUHFFBZ-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000231437764 1166890849 /nfs/dbraw/zinc/89/08/49/1166890849.db2.gz WQCQODDWUHFFBZ-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP CC1(C)CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073334 970644538 /nfs/dbraw/zinc/64/45/38/970644538.db2.gz RNKLOKHGXAZBFL-UHFFFAOYSA-N 2 2 222.376 2.488 20 0 BEADLP CC1(C)CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073334 970644548 /nfs/dbraw/zinc/64/45/48/970644548.db2.gz RNKLOKHGXAZBFL-UHFFFAOYSA-N 2 2 222.376 2.488 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCc3ccsc3C2)CC1 ZINC001256207379 970714577 /nfs/dbraw/zinc/71/45/77/970714577.db2.gz GMSFIKADAHNEEY-UHFFFAOYSA-N 2 2 236.384 2.200 20 0 BEADLP C[NH+]1CCC([N@H+]2CCc3ccsc3C2)CC1 ZINC001256207379 970714590 /nfs/dbraw/zinc/71/45/90/970714590.db2.gz GMSFIKADAHNEEY-UHFFFAOYSA-N 2 2 236.384 2.200 20 0 BEADLP CCSC[C@@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001173315877 975302740 /nfs/dbraw/zinc/30/27/40/975302740.db2.gz ULXVXOCRZMMTQR-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CCSC[C@@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001173315877 975302746 /nfs/dbraw/zinc/30/27/46/975302746.db2.gz ULXVXOCRZMMTQR-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP COc1ccc([C@@H](C)[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000251701523 1167453977 /nfs/dbraw/zinc/45/39/77/1167453977.db2.gz NTPVAIZWPBJVSG-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@@H](C)[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000251701523 1167453984 /nfs/dbraw/zinc/45/39/84/1167453984.db2.gz NTPVAIZWPBJVSG-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@H]([NH2+]C/C=C/C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386029319 1167497582 /nfs/dbraw/zinc/49/75/82/1167497582.db2.gz QJUVXGRHEOCSHH-SOHMCZBRSA-N 2 2 208.349 2.073 20 0 BEADLP C[C@@H](CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC000697851835 1167549607 /nfs/dbraw/zinc/54/96/07/1167549607.db2.gz KMYVIWSJJLBFRX-JTQLQIEISA-N 2 2 241.766 2.165 20 0 BEADLP C[C@H](CC[NH2+]Cc1ccncc1Cl)[NH+](C)C ZINC000697851836 1167550717 /nfs/dbraw/zinc/55/07/17/1167550717.db2.gz KMYVIWSJJLBFRX-SNVBAGLBSA-N 2 2 241.766 2.165 20 0 BEADLP CCOc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064797 1167666314 /nfs/dbraw/zinc/66/63/14/1167666314.db2.gz VVUFUMPKXSGGQP-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP CCOc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064797 1167666317 /nfs/dbraw/zinc/66/63/17/1167666317.db2.gz VVUFUMPKXSGGQP-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)sc1C ZINC001235172599 978989214 /nfs/dbraw/zinc/98/92/14/978989214.db2.gz RJNZTAPPDAYBDC-WCQYABFASA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)sc1C ZINC001235172599 978989227 /nfs/dbraw/zinc/98/92/27/978989227.db2.gz RJNZTAPPDAYBDC-WCQYABFASA-N 2 2 236.384 2.288 20 0 BEADLP C(C1CC1)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649404 979688689 /nfs/dbraw/zinc/68/86/89/979688689.db2.gz XZLGVRRXKDBTNR-CQSZACIVSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CC1)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649404 979688699 /nfs/dbraw/zinc/68/86/99/979688699.db2.gz XZLGVRRXKDBTNR-CQSZACIVSA-N 2 2 222.376 2.393 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088511 1168620408 /nfs/dbraw/zinc/62/04/08/1168620408.db2.gz KEHAYMOJBSASIZ-ZIAGYGMSSA-N 2 2 242.407 2.313 20 0 BEADLP CC[C@H](C)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201516955 983313853 /nfs/dbraw/zinc/31/38/53/983313853.db2.gz HREJGPUGYWVADR-YNEHKIRRSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201516955 983313858 /nfs/dbraw/zinc/31/38/58/983313858.db2.gz HREJGPUGYWVADR-YNEHKIRRSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201516955 983313862 /nfs/dbraw/zinc/31/38/62/983313862.db2.gz HREJGPUGYWVADR-YNEHKIRRSA-N 2 2 210.365 2.059 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCC ZINC000053345002 1169133814 /nfs/dbraw/zinc/13/38/14/1169133814.db2.gz SGJGCTWAGGGOMU-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCC ZINC000053345002 1169133817 /nfs/dbraw/zinc/13/38/17/1169133817.db2.gz SGJGCTWAGGGOMU-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC001172382297 974721360 /nfs/dbraw/zinc/72/13/60/974721360.db2.gz CTVPHIIJTLZSHM-GFCCVEGCSA-N 2 2 209.337 2.297 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172384175 974728141 /nfs/dbraw/zinc/72/81/41/974728141.db2.gz FCZGMCVUFNOBDY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172384175 974728153 /nfs/dbraw/zinc/72/81/53/974728153.db2.gz FCZGMCVUFNOBDY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172435108 974764472 /nfs/dbraw/zinc/76/44/72/974764472.db2.gz XGXZZIBWOWBGDT-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172435108 974764475 /nfs/dbraw/zinc/76/44/75/974764475.db2.gz XGXZZIBWOWBGDT-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)COCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001172462003 974826433 /nfs/dbraw/zinc/82/64/33/974826433.db2.gz XMHZVLDYFGAECB-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001256396762 970802133 /nfs/dbraw/zinc/80/21/33/970802133.db2.gz JZNUKIWYCGNQLD-ZIAGYGMSSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256407955 970811492 /nfs/dbraw/zinc/81/14/92/970811492.db2.gz SKGZWINCOPHCIF-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256407955 970811498 /nfs/dbraw/zinc/81/14/98/970811498.db2.gz SKGZWINCOPHCIF-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnoc2)CC1 ZINC001256561847 970858586 /nfs/dbraw/zinc/85/85/86/970858586.db2.gz OHLHBHOKEJMUSS-UHFFFAOYSA-N 2 2 237.347 2.027 20 0 BEADLP F[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256599476 970871991 /nfs/dbraw/zinc/87/19/91/970871991.db2.gz SPWYEUXLWRDMNG-HUUCEWRRSA-N 2 2 248.345 2.351 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccncc1 ZINC001256718092 970935586 /nfs/dbraw/zinc/93/55/86/970935586.db2.gz BSASQVOOPPGLSY-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccncc1 ZINC001256718092 970935598 /nfs/dbraw/zinc/93/55/98/970935598.db2.gz BSASQVOOPPGLSY-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001256718840 970935917 /nfs/dbraw/zinc/93/59/17/970935917.db2.gz LQXNKTVBENONKX-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001256718840 970935923 /nfs/dbraw/zinc/93/59/23/970935923.db2.gz LQXNKTVBENONKX-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccncc1 ZINC001256720871 970939850 /nfs/dbraw/zinc/93/98/50/970939850.db2.gz ZZSOBSSSXNSQTC-UONOGXRCSA-N 2 2 247.386 2.087 20 0 BEADLP CCC(CC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257303962 971191704 /nfs/dbraw/zinc/19/17/04/971191704.db2.gz WAPTUQXMKHOENY-AAEUAGOBSA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257303962 971191710 /nfs/dbraw/zinc/19/17/10/971191710.db2.gz WAPTUQXMKHOENY-AAEUAGOBSA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001257303962 971191717 /nfs/dbraw/zinc/19/17/17/971191717.db2.gz WAPTUQXMKHOENY-AAEUAGOBSA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001257303962 971191719 /nfs/dbraw/zinc/19/17/19/971191719.db2.gz WAPTUQXMKHOENY-AAEUAGOBSA-N 2 2 210.365 2.201 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001257311406 971206415 /nfs/dbraw/zinc/20/64/15/971206415.db2.gz MMYQUKWWCWCUQW-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001257311406 971206417 /nfs/dbraw/zinc/20/64/17/971206417.db2.gz MMYQUKWWCWCUQW-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001257311408 971207431 /nfs/dbraw/zinc/20/74/31/971207431.db2.gz MMYQUKWWCWCUQW-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001257311408 971207437 /nfs/dbraw/zinc/20/74/37/971207437.db2.gz MMYQUKWWCWCUQW-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715001539 974015208 /nfs/dbraw/zinc/01/52/08/974015208.db2.gz YZLPONSUFXCPPN-NXEZZACHSA-N 2 2 249.185 2.379 20 0 BEADLP Cn1cc(C[N@@H+]2CC[C@](C)([NH3+])C2)c2ccccc21 ZINC000405848495 971315857 /nfs/dbraw/zinc/31/58/57/971315857.db2.gz WHWYIZJIWPEWDF-HNNXBMFYSA-N 2 2 243.354 2.101 20 0 BEADLP Cn1cc(C[N@H+]2CC[C@](C)([NH3+])C2)c2ccccc21 ZINC000405848495 971315863 /nfs/dbraw/zinc/31/58/63/971315863.db2.gz WHWYIZJIWPEWDF-HNNXBMFYSA-N 2 2 243.354 2.101 20 0 BEADLP CCCCC[C@@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001257507978 971427048 /nfs/dbraw/zinc/42/70/48/971427048.db2.gz BBNDESZQGZEZAS-CYBMUJFWSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721874 971649576 /nfs/dbraw/zinc/64/95/76/971649576.db2.gz ZVILKIMXAKEYAD-SYQHCUMBSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721874 971649579 /nfs/dbraw/zinc/64/95/79/971649579.db2.gz ZVILKIMXAKEYAD-SYQHCUMBSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170747627 971717749 /nfs/dbraw/zinc/71/77/49/971717749.db2.gz UKRGCDUEFKMDPY-DEZZGGKRSA-N 2 2 245.370 2.442 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170747627 971717760 /nfs/dbraw/zinc/71/77/60/971717760.db2.gz UKRGCDUEFKMDPY-DEZZGGKRSA-N 2 2 245.370 2.442 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765689 971757237 /nfs/dbraw/zinc/75/72/37/971757237.db2.gz WHXFMCVTFZDUCA-ZSAUSMIDSA-N 2 2 248.414 2.447 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765689 971757243 /nfs/dbraw/zinc/75/72/43/971757243.db2.gz WHXFMCVTFZDUCA-ZSAUSMIDSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765689 971757250 /nfs/dbraw/zinc/75/72/50/971757250.db2.gz WHXFMCVTFZDUCA-ZSAUSMIDSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765689 971757257 /nfs/dbraw/zinc/75/72/57/971757257.db2.gz WHXFMCVTFZDUCA-ZSAUSMIDSA-N 2 2 248.414 2.447 20 0 BEADLP C[C@@H]([NH3+])CCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001170895403 972050200 /nfs/dbraw/zinc/05/02/00/972050200.db2.gz SSMMUOGESKTDGJ-SNVBAGLBSA-N 2 2 248.305 2.161 20 0 BEADLP CCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246086519 972141414 /nfs/dbraw/zinc/14/14/14/972141414.db2.gz CYNRMLKHCOIEPS-UONOGXRCSA-N 2 2 242.407 2.313 20 0 BEADLP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C1 ZINC001246114272 972176505 /nfs/dbraw/zinc/17/65/05/972176505.db2.gz VHXUDCFDPABLEQ-UTUOFQBUSA-N 2 2 228.355 2.245 20 0 BEADLP c1ccc2c(c1)NCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246226925 972235048 /nfs/dbraw/zinc/23/50/48/972235048.db2.gz DBRMYDOSGULUKX-IUODEOHRSA-N 2 2 245.370 2.275 20 0 BEADLP CC(C)CCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208736736 957154768 /nfs/dbraw/zinc/15/47/68/957154768.db2.gz NBIOKIUPBXFSTQ-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208736736 957154775 /nfs/dbraw/zinc/15/47/75/957154775.db2.gz NBIOKIUPBXFSTQ-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001208736736 957154784 /nfs/dbraw/zinc/15/47/84/957154784.db2.gz NBIOKIUPBXFSTQ-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001208736736 957154791 /nfs/dbraw/zinc/15/47/91/957154791.db2.gz NBIOKIUPBXFSTQ-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP Nc1cc[nH+]cc1C[NH+]1CC(c2ccccc2)C1 ZINC001209730282 957526449 /nfs/dbraw/zinc/52/64/49/957526449.db2.gz FGDHRDRPDSXEJJ-UHFFFAOYSA-N 2 2 239.322 2.094 20 0 BEADLP Cc1cc[nH+]c(Nc2c[nH+]c(N)cc2C)c1 ZINC001209961122 957581931 /nfs/dbraw/zinc/58/19/31/957581931.db2.gz CXCQTIDGIYXYQE-UHFFFAOYSA-N 2 2 214.272 2.419 20 0 BEADLP Cc1ccc(C)c(Nc2c[nH+]cn2C)[nH+]1 ZINC001211246925 958107971 /nfs/dbraw/zinc/10/79/71/958107971.db2.gz YJFQDDSDVHRVKM-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cnccc32)C[NH2+]1 ZINC001246461103 972333274 /nfs/dbraw/zinc/33/32/74/972333274.db2.gz CMUXXVNGKSIJRN-UXIGCNINSA-N 2 2 245.370 2.189 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(N(C)C)c1 ZINC001246468938 972347960 /nfs/dbraw/zinc/34/79/60/972347960.db2.gz MPPMIYMXAOSVIK-JSGCOSHPSA-N 2 2 247.386 2.155 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)CCc2cccs2)C[NH2+]1 ZINC000398983361 958471809 /nfs/dbraw/zinc/47/18/09/958471809.db2.gz GZQPIKSYMXATID-VXGBXAGGSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)CCc2cccs2)C[NH2+]1 ZINC000398983361 958471817 /nfs/dbraw/zinc/47/18/17/958471817.db2.gz GZQPIKSYMXATID-VXGBXAGGSA-N 2 2 238.400 2.363 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399230121 958574319 /nfs/dbraw/zinc/57/43/19/958574319.db2.gz OXJOXILHQWHIMA-OUCADQQQSA-N 2 2 248.370 2.486 20 0 BEADLP [NH3+]C[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC001246508786 972369855 /nfs/dbraw/zinc/36/98/55/972369855.db2.gz ZVYXTGFHIKTQHE-CYBMUJFWSA-N 2 2 236.384 2.172 20 0 BEADLP CCCC[C@@H](CC)C[NH+]1CC2(C[NH2+]C2)C1 ZINC000707978214 958882952 /nfs/dbraw/zinc/88/29/52/958882952.db2.gz OBCPGYINYFYBBM-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP Cc1[nH]c2ccc(-n3cccc3C[NH3+])cc2[nH+]1 ZINC001167589732 958977627 /nfs/dbraw/zinc/97/76/27/958977627.db2.gz KYGFIBRDSFWPGO-UHFFFAOYSA-N 2 2 226.283 2.121 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1C ZINC001222242919 972421459 /nfs/dbraw/zinc/42/14/59/972421459.db2.gz HZVVHGYPCRYQKS-OAHLLOKOSA-N 2 2 247.386 2.350 20 0 BEADLP Cc1c[nH]c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1C ZINC001222242919 972421467 /nfs/dbraw/zinc/42/14/67/972421467.db2.gz HZVVHGYPCRYQKS-OAHLLOKOSA-N 2 2 247.386 2.350 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693849155 959436314 /nfs/dbraw/zinc/43/63/14/959436314.db2.gz AEQYFAGYPLYYRP-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693849155 959436316 /nfs/dbraw/zinc/43/63/16/959436316.db2.gz AEQYFAGYPLYYRP-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(CC[NH+]1CC2(C[NH2+]C2)C1)c1ccccc1 ZINC001222460890 972496834 /nfs/dbraw/zinc/49/68/34/972496834.db2.gz HURDWCBCINTFQC-UHFFFAOYSA-N 2 2 244.382 2.260 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000709280243 960468189 /nfs/dbraw/zinc/46/81/89/960468189.db2.gz FBRVLRDNKNPCJE-DVVUODLYSA-N 2 2 239.388 2.243 20 0 BEADLP CC[N@H+](Cc1cnccc1C)C1CC[NH+](C)CC1 ZINC001141035823 960824183 /nfs/dbraw/zinc/82/41/83/960824183.db2.gz OHLFPCKKKXWRRJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1cnccc1C)C1CC[NH+](C)CC1 ZINC001141035823 960824184 /nfs/dbraw/zinc/82/41/84/960824184.db2.gz OHLFPCKKKXWRRJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP F[C@H]1C[N@H+](Cc2ccn3cc[nH+]c3c2)C[C@@H]2C[C@@H]21 ZINC001141046962 960834766 /nfs/dbraw/zinc/83/47/66/960834766.db2.gz BBJOXZXHGDVKEX-AVGNSLFASA-N 2 2 245.301 2.124 20 0 BEADLP F[C@H]1C[N@@H+](Cc2ccn3cc[nH+]c3c2)C[C@@H]2C[C@@H]21 ZINC001141046962 960834778 /nfs/dbraw/zinc/83/47/78/960834778.db2.gz BBJOXZXHGDVKEX-AVGNSLFASA-N 2 2 245.301 2.124 20 0 BEADLP [NH2+]=CNc1cc(C[NH+]2CCCCC2)ccn1 ZINC001167864315 961332545 /nfs/dbraw/zinc/33/25/45/961332545.db2.gz LMVSRLIHIBLQRP-UHFFFAOYSA-N 2 2 218.304 2.086 20 0 BEADLP C[N@@H+]1CCCC[C@H]1c1ccc(NC=[NH2+])nc1 ZINC001167865870 961347138 /nfs/dbraw/zinc/34/71/38/961347138.db2.gz WEAFMUBXAKSEIY-NSHDSACASA-N 2 2 218.304 2.257 20 0 BEADLP [NH2+]=C(Nc1cnc2ccccc2c1)SCC[NH3+] ZINC001167915120 961838709 /nfs/dbraw/zinc/83/87/09/961838709.db2.gz RBPIGJROGYJNNI-UHFFFAOYSA-N 2 2 246.339 2.273 20 0 BEADLP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C2CC2)[nH+]1 ZINC001155101355 962976761 /nfs/dbraw/zinc/97/67/61/962976761.db2.gz BYSCZGYDJLAJSS-MWLCHTKSSA-N 2 2 246.358 2.072 20 0 BEADLP C=Cc1ccc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]c1 ZINC001155101626 962980530 /nfs/dbraw/zinc/98/05/30/962980530.db2.gz GDCQCGIQYIXKRM-ZYHUDNBSSA-N 2 2 217.316 2.135 20 0 BEADLP CCCC[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001206660810 963389859 /nfs/dbraw/zinc/38/98/59/963389859.db2.gz JMOVQRKEEGRVSS-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1c[nH+]c(NCc2cc[nH+]c(N)c2)cc1C ZINC001156760704 963455617 /nfs/dbraw/zinc/45/56/17/963455617.db2.gz OGIPYKCEXUTILQ-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3cccnc3c2)C1 ZINC001204782802 963538954 /nfs/dbraw/zinc/53/89/54/963538954.db2.gz JMTJZJZTTQBJCG-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001204782802 963538962 /nfs/dbraw/zinc/53/89/62/963538962.db2.gz JMTJZJZTTQBJCG-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@H]1C[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CCO1 ZINC001168135132 963827380 /nfs/dbraw/zinc/82/73/80/963827380.db2.gz FGAIMTMPGVTPBC-UPJWGTAASA-N 2 2 249.358 2.090 20 0 BEADLP C[C@@H]1C[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CCO1 ZINC001168135128 963828002 /nfs/dbraw/zinc/82/80/02/963828002.db2.gz FGAIMTMPGVTPBC-FRRDWIJNSA-N 2 2 249.358 2.090 20 0 BEADLP Cc1c(F)cc[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001158827058 963936682 /nfs/dbraw/zinc/93/66/82/963936682.db2.gz MZYKBUAHOSGUTD-UHFFFAOYSA-N 2 2 249.333 2.427 20 0 BEADLP Cc1c[nH+]cc(NC2(C)CC[NH2+]CC2)c1C ZINC001168186228 963942566 /nfs/dbraw/zinc/94/25/66/963942566.db2.gz VHTXKDGDMQEECS-UHFFFAOYSA-N 2 2 219.332 2.252 20 0 BEADLP Cc1cc(C)c(NC2=C[NH2+]CCC2)c[nH+]1 ZINC001159203904 964022261 /nfs/dbraw/zinc/02/22/61/964022261.db2.gz KVGCRWSOXNSLJK-UHFFFAOYSA-N 2 2 203.289 2.335 20 0 BEADLP Cc1cc(CC(C)C)[nH+]cc1NC1=CC[NH2+]C1 ZINC001159371484 964067067 /nfs/dbraw/zinc/06/70/67/964067067.db2.gz GYKLLAUUKWIPPR-UHFFFAOYSA-N 2 2 231.343 2.488 20 0 BEADLP Cc1cc[nH+]c(C(C)C)c1NC1=CC[NH2+]C1 ZINC001159421275 964084517 /nfs/dbraw/zinc/08/45/17/964084517.db2.gz QQFVDDYJLGWOKG-UHFFFAOYSA-N 2 2 217.316 2.412 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+]CC[NH+]1CCCCC1 ZINC001256715617 1169834706 /nfs/dbraw/zinc/83/47/06/1169834706.db2.gz DTVMJGCHLYYWMV-CQSZACIVSA-N 2 2 247.386 2.088 20 0 BEADLP Cc1nc(N[C@@H](C[NH3+])C(C)(C)C)c2c([nH+]1)CCC2 ZINC001160914760 964445205 /nfs/dbraw/zinc/44/52/05/964445205.db2.gz VNGKYGVNJZQFQE-LBPRGKRZSA-N 2 2 248.374 2.059 20 0 BEADLP c1cc2c[nH+]cc(NCCCn3cc[nH+]c3)c2[nH]1 ZINC001161684760 964682432 /nfs/dbraw/zinc/68/24/32/964682432.db2.gz OASSWNXMKYXGBB-UHFFFAOYSA-N 2 2 241.298 2.262 20 0 BEADLP C[NH+](C)CCCC[NH2+]c1ccc(O)cc1 ZINC001161730832 964719677 /nfs/dbraw/zinc/71/96/77/964719677.db2.gz RYPXXDXTHFIPSN-UHFFFAOYSA-N 2 2 208.305 2.146 20 0 BEADLP CC(C)(C)[NH+]1CC(Nc2ccc3c([nH+]2)CCC3)C1 ZINC001162221500 964879864 /nfs/dbraw/zinc/87/98/64/964879864.db2.gz OWPZUEOOXZAHEB-UHFFFAOYSA-N 2 2 245.370 2.465 20 0 BEADLP COc1cc[nH+]cc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162457263 964985160 /nfs/dbraw/zinc/98/51/60/964985160.db2.gz NJZXEAXLSJAWGR-RYUDHWBXSA-N 2 2 249.358 2.138 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCc1ccccc1Cl ZINC001204720263 965067903 /nfs/dbraw/zinc/06/79/03/965067903.db2.gz CHEPWIPFJSIKCU-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCc1ccccc1Cl ZINC001204720263 965067911 /nfs/dbraw/zinc/06/79/11/965067911.db2.gz CHEPWIPFJSIKCU-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP C1=C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000698237127 965119596 /nfs/dbraw/zinc/11/95/96/965119596.db2.gz GXQDNTLSIIZISN-CYBMUJFWSA-N 2 2 243.354 2.359 20 0 BEADLP Cc1ccc(C)c(N[C@H]2C[NH+]3CCC2CC3)[nH+]1 ZINC001163386849 965388068 /nfs/dbraw/zinc/38/80/68/965388068.db2.gz ZTSUNLDATYJSIY-ZDUSSCGKSA-N 2 2 231.343 2.205 20 0 BEADLP CCc1cccc(NCCn2cc[nH+]c2C)[nH+]1 ZINC001163929562 965640628 /nfs/dbraw/zinc/64/06/28/965640628.db2.gz QOVVUXNYPKOGPP-UHFFFAOYSA-N 2 2 230.315 2.261 20 0 BEADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235039689 965987398 /nfs/dbraw/zinc/98/73/98/965987398.db2.gz XJVCFOKLRGDLFQ-VHDGCEQUSA-N 2 2 230.355 2.226 20 0 BEADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235039689 965987417 /nfs/dbraw/zinc/98/74/17/965987417.db2.gz XJVCFOKLRGDLFQ-VHDGCEQUSA-N 2 2 230.355 2.226 20 0 BEADLP CCc1cc(Nc2ccc(NC)[nH+]c2)cc[nH+]1 ZINC001203451836 965994211 /nfs/dbraw/zinc/99/42/11/965994211.db2.gz DUAAJIIVATZNTP-UHFFFAOYSA-N 2 2 228.299 2.246 20 0 BEADLP Cc1c(F)cc[nH+]c1N1CCC2(CC([NH3+])C2)CC1 ZINC001165244448 966006918 /nfs/dbraw/zinc/00/69/18/966006918.db2.gz ZXWPSLOPCJOUEJ-UHFFFAOYSA-N 2 2 249.333 2.237 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235166325 966021980 /nfs/dbraw/zinc/02/19/80/966021980.db2.gz RDPLXFVFAFAZJE-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235166325 966021997 /nfs/dbraw/zinc/02/19/97/966021997.db2.gz RDPLXFVFAFAZJE-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235986366 966203369 /nfs/dbraw/zinc/20/33/69/966203369.db2.gz CQIBNYZMSYUSAT-JSGCOSHPSA-N 2 2 248.395 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235986366 966203376 /nfs/dbraw/zinc/20/33/76/966203376.db2.gz CQIBNYZMSYUSAT-JSGCOSHPSA-N 2 2 248.395 2.332 20 0 BEADLP CC(C)c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236024257 966237908 /nfs/dbraw/zinc/23/79/08/966237908.db2.gz DKKJRMACARBCQI-UKRRQHHQSA-N 2 2 230.355 2.343 20 0 BEADLP CC(C)c1ccccc1C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236024257 966237924 /nfs/dbraw/zinc/23/79/24/966237924.db2.gz DKKJRMACARBCQI-UKRRQHHQSA-N 2 2 230.355 2.343 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2c1 ZINC001236169600 966284621 /nfs/dbraw/zinc/28/46/21/966284621.db2.gz LITAOYQSWNJTSD-GFCCVEGCSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])C3)c2c1 ZINC001236169600 966284624 /nfs/dbraw/zinc/28/46/24/966284624.db2.gz LITAOYQSWNJTSD-GFCCVEGCSA-N 2 2 229.327 2.009 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](CCCc2cccc(Cl)c2)C1 ZINC001236169717 966285690 /nfs/dbraw/zinc/28/56/90/966285690.db2.gz NZPVMDPWBNJRBY-CYBMUJFWSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](CCCc2cccc(Cl)c2)C1 ZINC001236169717 966285701 /nfs/dbraw/zinc/28/57/01/966285701.db2.gz NZPVMDPWBNJRBY-CYBMUJFWSA-N 2 2 238.762 2.306 20 0 BEADLP CN(C[C@@H]1CC[NH2+]C1)c1[nH+]ccc2ccccc21 ZINC001166954680 966481564 /nfs/dbraw/zinc/48/15/64/966481564.db2.gz GXTXQYGKIFMLRH-GFCCVEGCSA-N 2 2 241.338 2.281 20 0 BEADLP CC[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001203278511 966596885 /nfs/dbraw/zinc/59/68/85/966596885.db2.gz SNYSWHZVULXRQZ-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP CC[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001203278511 966596907 /nfs/dbraw/zinc/59/69/07/966596907.db2.gz SNYSWHZVULXRQZ-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP CCOc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236866135 966599960 /nfs/dbraw/zinc/59/99/60/966599960.db2.gz UBWJGBCGBTXLCH-ZDUSSCGKSA-N 2 2 236.359 2.254 20 0 BEADLP CCOc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236866135 966599975 /nfs/dbraw/zinc/59/99/75/966599975.db2.gz UBWJGBCGBTXLCH-ZDUSSCGKSA-N 2 2 236.359 2.254 20 0 BEADLP Cc1ccc(N(C)c2cc(N)cc[nH+]2)c(C)[nH+]1 ZINC001203374169 966617693 /nfs/dbraw/zinc/61/76/93/966617693.db2.gz VUFQEUVKAXIJJS-UHFFFAOYSA-N 2 2 228.299 2.444 20 0 BEADLP Cc1c[nH+]c(C)c(Nc2cc[nH+]c(CO)c2)c1 ZINC001203655875 966721036 /nfs/dbraw/zinc/72/10/36/966721036.db2.gz FKBZCTQNKLMFAE-UHFFFAOYSA-N 2 2 229.283 2.329 20 0 BEADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001203918037 966823138 /nfs/dbraw/zinc/82/31/38/966823138.db2.gz NCJYKDPXVCVQPP-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001203918037 966823143 /nfs/dbraw/zinc/82/31/43/966823143.db2.gz NCJYKDPXVCVQPP-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001203918037 966823146 /nfs/dbraw/zinc/82/31/46/966823146.db2.gz NCJYKDPXVCVQPP-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001203918037 966823147 /nfs/dbraw/zinc/82/31/47/966823147.db2.gz NCJYKDPXVCVQPP-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001204002467 966844088 /nfs/dbraw/zinc/84/40/88/966844088.db2.gz OAOHVWWLLIUGQK-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001204002467 966844090 /nfs/dbraw/zinc/84/40/90/966844090.db2.gz OAOHVWWLLIUGQK-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccs1)C2 ZINC001204018560 966856693 /nfs/dbraw/zinc/85/66/93/966856693.db2.gz OVHRBMLUYZWCHG-DGCLKSJQSA-N 2 2 236.384 2.132 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccs1)C2 ZINC001204018560 966856696 /nfs/dbraw/zinc/85/66/96/966856696.db2.gz OVHRBMLUYZWCHG-DGCLKSJQSA-N 2 2 236.384 2.132 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(O)cc1 ZINC001204098853 966895824 /nfs/dbraw/zinc/89/58/24/966895824.db2.gz LHYIIHRIQFMCJY-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(O)cc1 ZINC001204098853 966895826 /nfs/dbraw/zinc/89/58/26/966895826.db2.gz LHYIIHRIQFMCJY-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3ccncc32)C1 ZINC001204782498 967167584 /nfs/dbraw/zinc/16/75/84/967167584.db2.gz GJBWYBDRNFEQFK-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001204782498 967167598 /nfs/dbraw/zinc/16/75/98/967167598.db2.gz GJBWYBDRNFEQFK-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3ncsc32)C1 ZINC001204790509 967170366 /nfs/dbraw/zinc/17/03/66/967170366.db2.gz KIVHCOZEAXVBTA-CYBMUJFWSA-N 2 2 247.367 2.219 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001204790509 967170374 /nfs/dbraw/zinc/17/03/74/967170374.db2.gz KIVHCOZEAXVBTA-CYBMUJFWSA-N 2 2 247.367 2.219 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)sc1C ZINC001204801448 967174875 /nfs/dbraw/zinc/17/48/75/967174875.db2.gz PISXONPQLACDHH-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@](C)([NH3+])C2)sc1C ZINC001204801448 967174883 /nfs/dbraw/zinc/17/48/83/967174883.db2.gz PISXONPQLACDHH-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204904572 967223820 /nfs/dbraw/zinc/22/38/20/967223820.db2.gz SXQGZKURPOOBJV-CQSZACIVSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204904572 967223832 /nfs/dbraw/zinc/22/38/32/967223832.db2.gz SXQGZKURPOOBJV-CQSZACIVSA-N 2 2 230.355 2.172 20 0 BEADLP CC/C=C\CCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904222 967224384 /nfs/dbraw/zinc/22/43/84/967224384.db2.gz KKSZXJWIUHFQCQ-VSQXVHSFSA-N 2 2 208.349 2.156 20 0 BEADLP CC/C=C\CCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904222 967224392 /nfs/dbraw/zinc/22/43/92/967224392.db2.gz KKSZXJWIUHFQCQ-VSQXVHSFSA-N 2 2 208.349 2.156 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204904011 967225779 /nfs/dbraw/zinc/22/57/79/967225779.db2.gz JWQKMFKTKGEYOG-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204904011 967225793 /nfs/dbraw/zinc/22/57/93/967225793.db2.gz JWQKMFKTKGEYOG-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903939 967226959 /nfs/dbraw/zinc/22/69/59/967226959.db2.gz GQHFIQHDLQACGY-CQSZACIVSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903939 967226965 /nfs/dbraw/zinc/22/69/65/967226965.db2.gz GQHFIQHDLQACGY-CQSZACIVSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204911697 967228372 /nfs/dbraw/zinc/22/83/72/967228372.db2.gz MAJWVJOEBHGQNC-OAHLLOKOSA-N 2 2 244.382 2.481 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204911697 967228377 /nfs/dbraw/zinc/22/83/77/967228377.db2.gz MAJWVJOEBHGQNC-OAHLLOKOSA-N 2 2 244.382 2.481 20 0 BEADLP Cc1sccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088243 967332582 /nfs/dbraw/zinc/33/25/82/967332582.db2.gz LZXDVEMCGVWZAZ-CABZTGNLSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1sccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088243 967332597 /nfs/dbraw/zinc/33/25/97/967332597.db2.gz LZXDVEMCGVWZAZ-CABZTGNLSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1ccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)c[nH]c2c1 ZINC001205177525 967412510 /nfs/dbraw/zinc/41/25/10/967412510.db2.gz PKTJYAODJASDLH-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1ccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)c[nH]c2c1 ZINC001205177525 967412513 /nfs/dbraw/zinc/41/25/13/967412513.db2.gz PKTJYAODJASDLH-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(ccn2C)c1 ZINC001205182660 967415579 /nfs/dbraw/zinc/41/55/79/967415579.db2.gz HFSIVQHGPQXEJC-BXUZGUMPSA-N 2 2 243.354 2.100 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(ccn2C)c1 ZINC001205182660 967415590 /nfs/dbraw/zinc/41/55/90/967415590.db2.gz HFSIVQHGPQXEJC-BXUZGUMPSA-N 2 2 243.354 2.100 20 0 BEADLP Cc1cnc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)s1 ZINC001205273251 967465095 /nfs/dbraw/zinc/46/50/95/967465095.db2.gz ITORBUOQVJNVPN-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1cnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)s1 ZINC001205273251 967465106 /nfs/dbraw/zinc/46/51/06/967465106.db2.gz ITORBUOQVJNVPN-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1c[nH+]c(Nc2ccc3c[nH+]cn3c2)c(N)c1 ZINC001250327120 967713780 /nfs/dbraw/zinc/71/37/80/967713780.db2.gz JBSHJGBPRWMBCI-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP Cc1c[nH+]cc(N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC001162403101 967828046 /nfs/dbraw/zinc/82/80/46/967828046.db2.gz XYHOWXRPFBQBLX-NEPJUHHUSA-N 2 2 219.332 2.380 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1C ZINC001205829329 967841001 /nfs/dbraw/zinc/84/10/01/967841001.db2.gz OMPFRTBTVQNHQY-GXFFZTMASA-N 2 2 235.375 2.191 20 0 BEADLP Cc1c[nH]c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1C ZINC001205829329 967841003 /nfs/dbraw/zinc/84/10/03/967841003.db2.gz OMPFRTBTVQNHQY-GXFFZTMASA-N 2 2 235.375 2.191 20 0 BEADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc[nH+]1 ZINC001162446370 967841375 /nfs/dbraw/zinc/84/13/75/967841375.db2.gz DLIJRTNVRIEPEB-RYUDHWBXSA-N 2 2 219.332 2.129 20 0 BEADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc[nH+]1 ZINC001162446369 967841571 /nfs/dbraw/zinc/84/15/71/967841571.db2.gz DLIJRTNVRIEPEB-NWDGAFQWSA-N 2 2 219.332 2.129 20 0 BEADLP COc1ccc[nH+]c1NC1CC2(C1)CCC[NH2+]C2 ZINC001162981400 967964926 /nfs/dbraw/zinc/96/49/26/967964926.db2.gz DFEVBENQSOTBCR-UHFFFAOYSA-N 2 2 247.342 2.034 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc3cccnc3c2)C[C@H]1[NH3+] ZINC001206058894 968031441 /nfs/dbraw/zinc/03/14/41/968031441.db2.gz WTODIEGLCFAPTI-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc3cccnc3c2)C[C@H]1[NH3+] ZINC001206058894 968031451 /nfs/dbraw/zinc/03/14/51/968031451.db2.gz WTODIEGLCFAPTI-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP CCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001251846295 968364243 /nfs/dbraw/zinc/36/42/43/968364243.db2.gz BBGANIDBJXMEOW-UHFFFAOYSA-N 2 2 244.298 2.314 20 0 BEADLP CCc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206711627 968435947 /nfs/dbraw/zinc/43/59/47/968435947.db2.gz LZFCOUZXMVTXSI-UHFFFAOYSA-N 2 2 218.344 2.030 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2cccc3occc32)C1 ZINC001206737747 968451916 /nfs/dbraw/zinc/45/19/16/968451916.db2.gz QVDVIRJCCWXNCL-UHFFFAOYSA-N 2 2 230.311 2.213 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)n1C ZINC001206793247 968478352 /nfs/dbraw/zinc/47/83/52/968478352.db2.gz TZVKVIZXYKBWCR-STQMWFEESA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)n1C ZINC001206793247 968478356 /nfs/dbraw/zinc/47/83/56/968478356.db2.gz TZVKVIZXYKBWCR-STQMWFEESA-N 2 2 233.359 2.351 20 0 BEADLP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]1F ZINC001207274561 968704895 /nfs/dbraw/zinc/70/48/95/968704895.db2.gz DQDHJRSSGCLXME-VXGBXAGGSA-N 2 2 230.371 2.254 20 0 BEADLP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]1F ZINC001207274561 968704901 /nfs/dbraw/zinc/70/49/01/968704901.db2.gz DQDHJRSSGCLXME-VXGBXAGGSA-N 2 2 230.371 2.254 20 0 BEADLP C[NH+](C)CC(C)(C)C[NH+]1CC(c2cccnc2)C1 ZINC001207282216 968711050 /nfs/dbraw/zinc/71/10/50/968711050.db2.gz FCMLFTQJSYCWAJ-UHFFFAOYSA-N 2 2 247.386 2.069 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](F)C1 ZINC001207286459 968720410 /nfs/dbraw/zinc/72/04/10/968720410.db2.gz RXMFUYSVDCIRFO-LLVKDONJSA-N 2 2 216.344 2.008 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](F)C1 ZINC001207286459 968720416 /nfs/dbraw/zinc/72/04/16/968720416.db2.gz RXMFUYSVDCIRFO-LLVKDONJSA-N 2 2 216.344 2.008 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632103 968849575 /nfs/dbraw/zinc/84/95/75/968849575.db2.gz MEXULIKZUOJZJE-OTJKEOIZSA-N 2 2 246.398 2.225 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632103 968849569 /nfs/dbraw/zinc/84/95/69/968849569.db2.gz MEXULIKZUOJZJE-OTJKEOIZSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632103 968849578 /nfs/dbraw/zinc/84/95/78/968849578.db2.gz MEXULIKZUOJZJE-OTJKEOIZSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632103 968849583 /nfs/dbraw/zinc/84/95/83/968849583.db2.gz MEXULIKZUOJZJE-OTJKEOIZSA-N 2 2 246.398 2.225 20 0 BEADLP CCCCC[C@H](O)C[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001253550875 969225219 /nfs/dbraw/zinc/22/52/19/969225219.db2.gz LESDXRRAKVOKCX-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1cc[nH+]c(C)c1NC1=CC[N@H+](C)CC1 ZINC001208742870 969230660 /nfs/dbraw/zinc/23/06/60/969230660.db2.gz YIIOHBWPEMRGHJ-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP CC[N@H+](C[C@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209420354 969486176 /nfs/dbraw/zinc/48/61/76/969486176.db2.gz HZEPLFAFZFLKPQ-VXGBXAGGSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@@H+](C[C@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209420354 969486181 /nfs/dbraw/zinc/48/61/81/969486181.db2.gz HZEPLFAFZFLKPQ-VXGBXAGGSA-N 2 2 210.365 2.059 20 0 BEADLP CCC[N@@H+](Cc1c[nH+]ccc1N)CC1CC1 ZINC001209725740 969578513 /nfs/dbraw/zinc/57/85/13/969578513.db2.gz BEWOEQWBEGAPBQ-UHFFFAOYSA-N 2 2 219.332 2.116 20 0 BEADLP CCC[N@H+](Cc1c[nH+]ccc1N)CC1CC1 ZINC001209725740 969578516 /nfs/dbraw/zinc/57/85/16/969578516.db2.gz BEWOEQWBEGAPBQ-UHFFFAOYSA-N 2 2 219.332 2.116 20 0 BEADLP C[N@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209726650 969579664 /nfs/dbraw/zinc/57/96/64/969579664.db2.gz IFFITLQUMFBOIZ-UHFFFAOYSA-N 2 2 227.311 2.126 20 0 BEADLP C[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209726650 969579666 /nfs/dbraw/zinc/57/96/66/969579666.db2.gz IFFITLQUMFBOIZ-UHFFFAOYSA-N 2 2 227.311 2.126 20 0 BEADLP C[N@H+](Cc1cccc(F)c1)Cc1c[nH+]ccc1N ZINC001209730090 969586458 /nfs/dbraw/zinc/58/64/58/969586458.db2.gz SLHHAPWLBSXAKN-UHFFFAOYSA-N 2 2 245.301 2.265 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1)Cc1c[nH+]ccc1N ZINC001209730090 969586464 /nfs/dbraw/zinc/58/64/64/969586464.db2.gz SLHHAPWLBSXAKN-UHFFFAOYSA-N 2 2 245.301 2.265 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@@H]1C ZINC001209733850 969595664 /nfs/dbraw/zinc/59/56/64/969595664.db2.gz IGCGGOLNBYCGJV-GHMZBOCLSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@@H]1C ZINC001209733850 969595668 /nfs/dbraw/zinc/59/56/68/969595668.db2.gz IGCGGOLNBYCGJV-GHMZBOCLSA-N 2 2 219.332 2.115 20 0 BEADLP CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001254488404 969653452 /nfs/dbraw/zinc/65/34/52/969653452.db2.gz VMYCLMGQPYDMMT-RBSFLKMASA-N 2 2 232.371 2.477 20 0 BEADLP Cc1cc(N)[nH+]cc1Nc1cccc2[nH+]ccn21 ZINC001209961555 969720386 /nfs/dbraw/zinc/72/03/86/969720386.db2.gz LESCBIXOEZCGOO-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP c1ccc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254830867 969792191 /nfs/dbraw/zinc/79/21/91/969792191.db2.gz IJWWOOVAZVAZIR-MRXNPFEDSA-N 2 2 244.382 2.303 20 0 BEADLP CCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254831064 969792312 /nfs/dbraw/zinc/79/23/12/969792312.db2.gz KEJOMVLBHUATSO-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254830832 969792798 /nfs/dbraw/zinc/79/27/98/969792798.db2.gz IBLRHGUOTZANJL-AAEUAGOBSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H](C)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254829310 969793573 /nfs/dbraw/zinc/79/35/73/969793573.db2.gz CGYIAFYMFYRXLX-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP F[C@@H]1CC[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254832480 969794745 /nfs/dbraw/zinc/79/47/45/969794745.db2.gz FYPONFITTDJRSC-MCIONIFRSA-N 2 2 240.366 2.199 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254833133 969796165 /nfs/dbraw/zinc/79/61/65/969796165.db2.gz NQIOBNIEHITEEG-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP C([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCC1 ZINC001254833618 969797156 /nfs/dbraw/zinc/79/71/56/969797156.db2.gz QFPJFAUSJFUFAS-CQSZACIVSA-N 2 2 222.376 2.251 20 0 BEADLP FC1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254832553 969797380 /nfs/dbraw/zinc/79/73/80/969797380.db2.gz HCJXMHHBCRNPJA-RUXDESIVSA-N 2 2 240.366 2.341 20 0 BEADLP CCC[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840861 969801397 /nfs/dbraw/zinc/80/13/97/969801397.db2.gz PGIINJLNWKRMFK-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C1=C[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254848451 969803821 /nfs/dbraw/zinc/80/38/21/969803821.db2.gz QNVFXGOQVHMPEB-ZIAGYGMSSA-N 2 2 220.360 2.169 20 0 BEADLP CCC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254846608 969803870 /nfs/dbraw/zinc/80/38/70/969803870.db2.gz XKSSNNFKHZDFOL-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CC1)C1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254848879 969805440 /nfs/dbraw/zinc/80/54/40/969805440.db2.gz YEWHHBRXEIOXDZ-CQSZACIVSA-N 2 2 234.387 2.393 20 0 BEADLP C1CC2CCC1[NH+]2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254862314 969812033 /nfs/dbraw/zinc/81/20/33/969812033.db2.gz JJDYSRBGDDTZDQ-RUXDESIVSA-N 2 2 220.360 2.098 20 0 BEADLP C[N@@H+]1CCC[C@](C)([NH2+]C2Cc3ccccc3C2)C1 ZINC001255018169 969846603 /nfs/dbraw/zinc/84/66/03/969846603.db2.gz HDFLPHJZFBSHJS-INIZCTEOSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@](C)([NH2+]C2Cc3ccccc3C2)C1 ZINC001255018169 969846605 /nfs/dbraw/zinc/84/66/05/969846605.db2.gz HDFLPHJZFBSHJS-INIZCTEOSA-N 2 2 244.382 2.228 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001170065494 970133321 /nfs/dbraw/zinc/13/33/21/970133321.db2.gz ZPFLFACHTRMOQQ-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1 ZINC001157262041 970172254 /nfs/dbraw/zinc/17/22/54/970172254.db2.gz UZUDGNMBFHBRCP-KGLIPLIRSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1 ZINC001157262041 970172257 /nfs/dbraw/zinc/17/22/57/970172257.db2.gz UZUDGNMBFHBRCP-KGLIPLIRSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001157262043 970174850 /nfs/dbraw/zinc/17/48/50/970174850.db2.gz UZUDGNMBFHBRCP-ZIAGYGMSSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001157262043 970174856 /nfs/dbraw/zinc/17/48/56/970174856.db2.gz UZUDGNMBFHBRCP-ZIAGYGMSSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1[nH+]cn([C@@H]2CC[C@@H](C)C2)c1CC[NH3+] ZINC001170098048 970267481 /nfs/dbraw/zinc/26/74/81/970267481.db2.gz KHZPGXGWLRRPPM-MWLCHTKSSA-N 2 2 207.321 2.054 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC001170116687 970335810 /nfs/dbraw/zinc/33/58/10/970335810.db2.gz FUNNTVXJSYYRAQ-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC001170116687 970335816 /nfs/dbraw/zinc/33/58/16/970335816.db2.gz FUNNTVXJSYYRAQ-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001170117151 970339275 /nfs/dbraw/zinc/33/92/75/970339275.db2.gz JFVZTDGQJHNWCQ-UBHSHLNASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001170117151 970339297 /nfs/dbraw/zinc/33/92/97/970339297.db2.gz JFVZTDGQJHNWCQ-UBHSHLNASA-N 2 2 222.376 2.249 20 0 BEADLP Cc1c[nH+]cc(Nc2cc[nH+]c(CO)c2)c1C ZINC001213524882 970347830 /nfs/dbraw/zinc/34/78/30/970347830.db2.gz HWNOTRCQSVSPCR-UHFFFAOYSA-N 2 2 229.283 2.329 20 0 BEADLP COC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001255566499 970358959 /nfs/dbraw/zinc/35/89/59/970358959.db2.gz JFZUNEOCAIUBII-LLVKDONJSA-N 2 2 245.326 2.216 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001255644125 970417886 /nfs/dbraw/zinc/41/78/86/970417886.db2.gz LCEBVCGIHUNSTL-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001255644125 970417899 /nfs/dbraw/zinc/41/78/99/970417899.db2.gz LCEBVCGIHUNSTL-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001170152498 970466229 /nfs/dbraw/zinc/46/62/29/970466229.db2.gz VVAQFZATHRWOKJ-IHRRRGAJSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1CC[C@H]([N@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001170152498 970466238 /nfs/dbraw/zinc/46/62/38/970466238.db2.gz VVAQFZATHRWOKJ-IHRRRGAJSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1CC[C@H]([NH+]2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001170152498 970466256 /nfs/dbraw/zinc/46/62/56/970466256.db2.gz VVAQFZATHRWOKJ-IHRRRGAJSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1CC[C@H]([NH+]2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001170152498 970466266 /nfs/dbraw/zinc/46/62/66/970466266.db2.gz VVAQFZATHRWOKJ-IHRRRGAJSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccno1 ZINC001255954354 970590838 /nfs/dbraw/zinc/59/08/38/970590838.db2.gz CMCGESAUQPLYRF-VXGBXAGGSA-N 2 2 239.363 2.446 20 0 BEADLP CC[N@H+](C1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256072290 970635826 /nfs/dbraw/zinc/63/58/26/970635826.db2.gz AMKQYDOWCRDRSD-UHFFFAOYSA-N 2 2 208.349 2.098 20 0 BEADLP CC[N@@H+](C1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256072290 970635836 /nfs/dbraw/zinc/63/58/36/970635836.db2.gz AMKQYDOWCRDRSD-UHFFFAOYSA-N 2 2 208.349 2.098 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072406 970639853 /nfs/dbraw/zinc/63/98/53/970639853.db2.gz DFNAICKUJWVNSV-GFCCVEGCSA-N 2 2 222.376 2.488 20 0 BEADLP C[C@@H]1CCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072406 970639859 /nfs/dbraw/zinc/63/98/59/970639859.db2.gz DFNAICKUJWVNSV-GFCCVEGCSA-N 2 2 222.376 2.488 20 0 BEADLP F[C@H]1CCCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072920 970643573 /nfs/dbraw/zinc/64/35/73/970643573.db2.gz IJVNKTCEDRHQTI-LBPRGKRZSA-N 2 2 240.366 2.437 20 0 BEADLP F[C@H]1CCCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072920 970643575 /nfs/dbraw/zinc/64/35/75/970643575.db2.gz IJVNKTCEDRHQTI-LBPRGKRZSA-N 2 2 240.366 2.437 20 0 BEADLP C[N@H+](C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC001256077763 970646057 /nfs/dbraw/zinc/64/60/57/970646057.db2.gz RDOSBUQVSYMWFB-UHFFFAOYSA-N 2 2 210.365 2.344 20 0 BEADLP C[N@@H+](C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC001256077763 970646063 /nfs/dbraw/zinc/64/60/63/970646063.db2.gz RDOSBUQVSYMWFB-UHFFFAOYSA-N 2 2 210.365 2.344 20 0 BEADLP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC001256145912 970671089 /nfs/dbraw/zinc/67/10/89/970671089.db2.gz OKUYSSDQKVHUNX-GXTWGEPZSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC001256145912 970671091 /nfs/dbraw/zinc/67/10/91/970671091.db2.gz OKUYSSDQKVHUNX-GXTWGEPZSA-N 2 2 248.370 2.049 20 0 BEADLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccn1 ZINC001256196472 970691106 /nfs/dbraw/zinc/69/11/06/970691106.db2.gz NMZFQUDCOKQAGP-ZDUSSCGKSA-N 2 2 233.359 2.217 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001256202326 970701472 /nfs/dbraw/zinc/70/14/72/970701472.db2.gz DGDBKVWGFMQDDX-ZDUSSCGKSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001256202326 970701480 /nfs/dbraw/zinc/70/14/80/970701480.db2.gz DGDBKVWGFMQDDX-ZDUSSCGKSA-N 2 2 228.355 2.295 20 0 BEADLP COc1cccc2c1C[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256211514 970720597 /nfs/dbraw/zinc/72/05/97/970720597.db2.gz YWEWDCLCHIRJBT-UHFFFAOYSA-N 2 2 246.354 2.105 20 0 BEADLP COc1cccc2c1C[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256211514 970720605 /nfs/dbraw/zinc/72/06/05/970720605.db2.gz YWEWDCLCHIRJBT-UHFFFAOYSA-N 2 2 246.354 2.105 20 0 BEADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[Si](C)(C)C ZINC000401973894 970752015 /nfs/dbraw/zinc/75/20/15/970752015.db2.gz DMKRKLPEDXGGGU-UHFFFAOYSA-N 2 2 228.456 2.328 20 0 BEADLP [NH3+][C@H]1C[C@H](F)C[N@@H+](C2CCCCCC2)C1 ZINC001246575428 972877630 /nfs/dbraw/zinc/87/76/30/972877630.db2.gz MLJYVNVNNNYJOQ-QWRGUYRKSA-N 2 2 214.328 2.080 20 0 BEADLP [NH3+][C@H]1C[C@H](F)C[N@H+](C2CCCCCC2)C1 ZINC001246575428 972877634 /nfs/dbraw/zinc/87/76/34/972877634.db2.gz MLJYVNVNNNYJOQ-QWRGUYRKSA-N 2 2 214.328 2.080 20 0 BEADLP Cc1cc(CO[C@@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC001223420253 973041123 /nfs/dbraw/zinc/04/11/23/973041123.db2.gz JVXBBKGSJWWVOO-LBPRGKRZSA-N 2 2 222.332 2.165 20 0 BEADLP CC(C)Oc1cc(NC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC001171333519 973855424 /nfs/dbraw/zinc/85/54/24/973855424.db2.gz FMRSEBPDTAGEOE-CYBMUJFWSA-N 2 2 249.358 2.423 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715001539 974015197 /nfs/dbraw/zinc/01/51/97/974015197.db2.gz YZLPONSUFXCPPN-NXEZZACHSA-N 2 2 249.185 2.379 20 0 BEADLP C[NH+](C)[C@H]1CC[C@H](Oc2cc[nH+]cc2)CC1 ZINC001225291349 974364078 /nfs/dbraw/zinc/36/40/78/974364078.db2.gz SKRNKNAKDQLMCP-HAQNSBGRSA-N 2 2 220.316 2.333 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc[nH+]cc1)C2 ZINC001225291369 974366584 /nfs/dbraw/zinc/36/65/84/974366584.db2.gz TZXMXADDEAUICR-PTEHBNRSSA-N 2 2 218.300 2.086 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc[nH+]cc1)C2 ZINC001225291369 974366592 /nfs/dbraw/zinc/36/65/92/974366592.db2.gz TZXMXADDEAUICR-PTEHBNRSSA-N 2 2 218.300 2.086 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218398 974446520 /nfs/dbraw/zinc/44/65/20/974446520.db2.gz TVRVGWQJZOKYML-AGUYFDCRSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218398 974446526 /nfs/dbraw/zinc/44/65/26/974446526.db2.gz TVRVGWQJZOKYML-AGUYFDCRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172315228 974521475 /nfs/dbraw/zinc/52/14/75/974521475.db2.gz GJIHGYJOLJOBCP-RDBSUJKOSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172315228 974521485 /nfs/dbraw/zinc/52/14/85/974521485.db2.gz GJIHGYJOLJOBCP-RDBSUJKOSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172315223 974523035 /nfs/dbraw/zinc/52/30/35/974523035.db2.gz GJIHGYJOLJOBCP-HZSPNIEDSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172315223 974523038 /nfs/dbraw/zinc/52/30/38/974523038.db2.gz GJIHGYJOLJOBCP-HZSPNIEDSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])C[C@H]1C ZINC001172357291 974627072 /nfs/dbraw/zinc/62/70/72/974627072.db2.gz BRLKYEZANFDBPM-IJLUTSLNSA-N 2 2 221.348 2.382 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172433419 974717961 /nfs/dbraw/zinc/71/79/61/974717961.db2.gz IJVQCMFHCBERAU-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1nc(C)sc1C ZINC001331836501 974832001 /nfs/dbraw/zinc/83/20/01/974832001.db2.gz WQYBQDNJVQMYJH-DTWKUNHWSA-N 2 2 241.404 2.266 20 0 BEADLP C[NH+]1CC(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172553820 974866896 /nfs/dbraw/zinc/86/68/96/974866896.db2.gz PCFPMLCZNYVSQC-HZPDHXFCSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172855836 974959214 /nfs/dbraw/zinc/95/92/14/974959214.db2.gz IAFGLHUSCBTVJQ-NZXMKCKXSA-N 2 2 242.725 2.099 20 0 BEADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001173296312 975184606 /nfs/dbraw/zinc/18/46/06/975184606.db2.gz RMDGTQSJSIRBMG-STQMWFEESA-N 2 2 244.448 2.448 20 0 BEADLP CCSC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001173296312 975184615 /nfs/dbraw/zinc/18/46/15/975184615.db2.gz RMDGTQSJSIRBMG-STQMWFEESA-N 2 2 244.448 2.448 20 0 BEADLP c1cn(-c2cccc(Nc3cc[nH+]cc3)c2)c[nH+]1 ZINC001173882461 975930548 /nfs/dbraw/zinc/93/05/48/975930548.db2.gz LUKSPTWHEQDSKT-UHFFFAOYSA-N 2 2 236.278 2.433 20 0 BEADLP Cc1[nH]c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c(C)[nH+]1 ZINC001334766346 976633994 /nfs/dbraw/zinc/63/39/94/976633994.db2.gz IJNPZRAUMOKOOO-UONOGXRCSA-N 2 2 249.358 2.074 20 0 BEADLP Cc1cc(Nc2ccc(N(C)C)[nH+]c2)cc[nH+]1 ZINC001174652290 976933064 /nfs/dbraw/zinc/93/30/64/976933064.db2.gz VXIJYODBZOAVHG-UHFFFAOYSA-N 2 2 228.299 2.017 20 0 BEADLP Cc1cc(Nc2cccn3cc[nH+]c23)cc[nH+]1 ZINC001174654156 976942286 /nfs/dbraw/zinc/94/22/86/976942286.db2.gz SQVKKEKFOYRHST-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP C[C@H](C[NH+](C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081315 977472336 /nfs/dbraw/zinc/47/23/36/977472336.db2.gz KDQZFMYMUWCDEQ-LLVKDONJSA-N 2 2 245.326 2.406 20 0 BEADLP CCc1ccc(NCC2=CC[N@H+](C)CC2)[nH+]c1 ZINC001336579282 977790992 /nfs/dbraw/zinc/79/09/92/977790992.db2.gz USXJJRHRPGNJCX-UHFFFAOYSA-N 2 2 231.343 2.318 20 0 BEADLP CCc1ccc(NCC2=CC[N@@H+](C)CC2)[nH+]c1 ZINC001336579282 977791000 /nfs/dbraw/zinc/79/10/00/977791000.db2.gz USXJJRHRPGNJCX-UHFFFAOYSA-N 2 2 231.343 2.318 20 0 BEADLP F[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015008 977843504 /nfs/dbraw/zinc/84/35/04/977843504.db2.gz QLQPIWUVQMAGMS-NSHDSACASA-N 2 2 233.290 2.497 20 0 BEADLP F[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015008 977843507 /nfs/dbraw/zinc/84/35/07/977843507.db2.gz QLQPIWUVQMAGMS-NSHDSACASA-N 2 2 233.290 2.497 20 0 BEADLP FC(F)C1C[NH+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018014 977844183 /nfs/dbraw/zinc/84/41/83/977844183.db2.gz DAHAKBSEFGNICF-UHFFFAOYSA-N 2 2 237.253 2.260 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001232461251 978102577 /nfs/dbraw/zinc/10/25/77/978102577.db2.gz ZBWVADKGVGDFEH-NWDGAFQWSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001232461251 978102582 /nfs/dbraw/zinc/10/25/82/978102582.db2.gz ZBWVADKGVGDFEH-NWDGAFQWSA-N 2 2 219.332 2.340 20 0 BEADLP CNc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001232666850 978214518 /nfs/dbraw/zinc/21/45/18/978214518.db2.gz OZTCIXDJWGGIQW-UHFFFAOYSA-N 2 2 247.386 2.254 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC001337823809 978515502 /nfs/dbraw/zinc/51/55/02/978515502.db2.gz FACMEBQONVMZJI-ZFWWWQNUSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC001337823809 978515514 /nfs/dbraw/zinc/51/55/14/978515514.db2.gz FACMEBQONVMZJI-ZFWWWQNUSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC001234656342 978892937 /nfs/dbraw/zinc/89/29/37/978892937.db2.gz YUJRFUIYGSBKBG-PWSUYJOCSA-N 2 2 205.305 2.011 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC001234656342 978892939 /nfs/dbraw/zinc/89/29/39/978892939.db2.gz YUJRFUIYGSBKBG-PWSUYJOCSA-N 2 2 205.305 2.011 20 0 BEADLP C(CC1CCCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072674 978969784 /nfs/dbraw/zinc/96/97/84/978969784.db2.gz KKARWKZALBCHLU-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CCCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072674 978969789 /nfs/dbraw/zinc/96/97/89/978969789.db2.gz KKARWKZALBCHLU-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C1CC1[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277923784 978976227 /nfs/dbraw/zinc/97/62/27/978976227.db2.gz KZSRMQNFGHKFIB-UHFFFAOYSA-N 2 2 234.387 2.489 20 0 BEADLP C1CC1[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277923784 978976230 /nfs/dbraw/zinc/97/62/30/978976230.db2.gz KZSRMQNFGHKFIB-UHFFFAOYSA-N 2 2 234.387 2.489 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc3ccoc31)C2 ZINC001235174178 978989771 /nfs/dbraw/zinc/98/97/71/978989771.db2.gz NDKUPSSPYOSEEY-DZGCQCFKSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235174178 978989778 /nfs/dbraw/zinc/98/97/78/978989778.db2.gz NDKUPSSPYOSEEY-DZGCQCFKSA-N 2 2 242.322 2.356 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236213 979003677 /nfs/dbraw/zinc/00/36/77/979003677.db2.gz VHLDPXACHANZCF-CVEARBPZSA-N 2 2 244.382 2.494 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236213 979003682 /nfs/dbraw/zinc/00/36/82/979003682.db2.gz VHLDPXACHANZCF-CVEARBPZSA-N 2 2 244.382 2.494 20 0 BEADLP CCc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC001235347540 979030171 /nfs/dbraw/zinc/03/01/71/979030171.db2.gz QAWCNRCPXAZJKH-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c1 ZINC001235347540 979030175 /nfs/dbraw/zinc/03/01/75/979030175.db2.gz QAWCNRCPXAZJKH-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[N@H+](Cc1cccc2c1CCC2)[C@H]1CCC[NH2+]C1 ZINC001235350941 979030464 /nfs/dbraw/zinc/03/04/64/979030464.db2.gz WLCBGPGZVCMQPI-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@@H+](Cc1cccc2c1CCC2)[C@H]1CCC[NH2+]C1 ZINC001235350941 979030468 /nfs/dbraw/zinc/03/04/68/979030468.db2.gz WLCBGPGZVCMQPI-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP Cc1ccc(O[C@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001235689423 979119879 /nfs/dbraw/zinc/11/98/79/979119879.db2.gz ZBYUSUIRCFIJBN-HIFRSBDPSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccc(O[C@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001235689423 979119886 /nfs/dbraw/zinc/11/98/86/979119886.db2.gz ZBYUSUIRCFIJBN-HIFRSBDPSA-N 2 2 248.370 2.185 20 0 BEADLP CC[NH2+]CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235714877 979130628 /nfs/dbraw/zinc/13/06/28/979130628.db2.gz MBFUKYZWCNMQSS-HNNXBMFYSA-N 2 2 232.371 2.161 20 0 BEADLP CC[NH2+]CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001235714877 979130643 /nfs/dbraw/zinc/13/06/43/979130643.db2.gz MBFUKYZWCNMQSS-HNNXBMFYSA-N 2 2 232.371 2.161 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976392 979245376 /nfs/dbraw/zinc/24/53/76/979245376.db2.gz BNMQEIFPJNJUNB-GJZGRUSLSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976392 979245380 /nfs/dbraw/zinc/24/53/80/979245380.db2.gz BNMQEIFPJNJUNB-GJZGRUSLSA-N 2 2 230.355 2.172 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979854 979252865 /nfs/dbraw/zinc/25/28/65/979252865.db2.gz LLRSTVCCNSRFMJ-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979854 979252876 /nfs/dbraw/zinc/25/28/76/979252876.db2.gz LLRSTVCCNSRFMJ-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981677 979258454 /nfs/dbraw/zinc/25/84/54/979258454.db2.gz RSRKBSIEJLVDQQ-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981677 979258468 /nfs/dbraw/zinc/25/84/68/979258468.db2.gz RSRKBSIEJLVDQQ-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC001235984074 979265670 /nfs/dbraw/zinc/26/56/70/979265670.db2.gz ARVFXVQSFDGKOH-DOMZBBRYSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC001235984074 979265675 /nfs/dbraw/zinc/26/56/75/979265675.db2.gz ARVFXVQSFDGKOH-DOMZBBRYSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC001235984081 979268649 /nfs/dbraw/zinc/26/86/49/979268649.db2.gz ARVFXVQSFDGKOH-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC001235984081 979268657 /nfs/dbraw/zinc/26/86/57/979268657.db2.gz ARVFXVQSFDGKOH-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC001235988605 979269559 /nfs/dbraw/zinc/26/95/59/979269559.db2.gz HQCVKAWLAMVMEE-WFASDCNBSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC001235988605 979269574 /nfs/dbraw/zinc/26/95/74/979269574.db2.gz HQCVKAWLAMVMEE-WFASDCNBSA-N 2 2 242.322 2.356 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)c21 ZINC001236023724 979316672 /nfs/dbraw/zinc/31/66/72/979316672.db2.gz GQTOVJNELGPEHU-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)c21 ZINC001236023724 979316683 /nfs/dbraw/zinc/31/66/83/979316683.db2.gz GQTOVJNELGPEHU-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)c21 ZINC001236023722 979317623 /nfs/dbraw/zinc/31/76/23/979317623.db2.gz GQTOVJNELGPEHU-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)c21 ZINC001236023722 979317635 /nfs/dbraw/zinc/31/76/35/979317635.db2.gz GQTOVJNELGPEHU-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001236027221 979321346 /nfs/dbraw/zinc/32/13/46/979321346.db2.gz NFKZLQDWEVGWPG-HOCLYGCPSA-N 2 2 238.334 2.324 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001236027221 979321358 /nfs/dbraw/zinc/32/13/58/979321358.db2.gz NFKZLQDWEVGWPG-HOCLYGCPSA-N 2 2 238.334 2.324 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236061479 979354030 /nfs/dbraw/zinc/35/40/30/979354030.db2.gz YBBMOWKJBJYPDL-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236061479 979354043 /nfs/dbraw/zinc/35/40/43/979354043.db2.gz YBBMOWKJBJYPDL-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCC[NH2+]1 ZINC001236118544 979398482 /nfs/dbraw/zinc/39/84/82/979398482.db2.gz UEUDUFRVKUVYPP-ZDUSSCGKSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+](Cc1cccc2[nH]ccc21)C[C@@H]1CCC[NH2+]1 ZINC001236118544 979398489 /nfs/dbraw/zinc/39/84/89/979398489.db2.gz UEUDUFRVKUVYPP-ZDUSSCGKSA-N 2 2 243.354 2.352 20 0 BEADLP CC[N@H+](CCCc1ccccc1F)CC[NH2+]C ZINC001236143107 979408483 /nfs/dbraw/zinc/40/84/83/979408483.db2.gz HJNCJBZUYWCLHZ-UHFFFAOYSA-N 2 2 238.350 2.300 20 0 BEADLP CC[N@@H+](CCCc1ccccc1F)CC[NH2+]C ZINC001236143107 979408489 /nfs/dbraw/zinc/40/84/89/979408489.db2.gz HJNCJBZUYWCLHZ-UHFFFAOYSA-N 2 2 238.350 2.300 20 0 BEADLP CC[N@H+](CCCc1cccc(F)c1)CC[NH2+]C ZINC001236144112 979409867 /nfs/dbraw/zinc/40/98/67/979409867.db2.gz OKLFZBUXWPDCNS-UHFFFAOYSA-N 2 2 238.350 2.300 20 0 BEADLP CC[N@@H+](CCCc1cccc(F)c1)CC[NH2+]C ZINC001236144112 979409879 /nfs/dbraw/zinc/40/98/79/979409879.db2.gz OKLFZBUXWPDCNS-UHFFFAOYSA-N 2 2 238.350 2.300 20 0 BEADLP C[N@H+](CCOc1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236198439 979446722 /nfs/dbraw/zinc/44/67/22/979446722.db2.gz CEQAXVONKQQRQD-HNNXBMFYSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@@H+](CCOc1ccccc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236198439 979446724 /nfs/dbraw/zinc/44/67/24/979446724.db2.gz CEQAXVONKQQRQD-HNNXBMFYSA-N 2 2 248.370 2.139 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001236242979 979464818 /nfs/dbraw/zinc/46/48/18/979464818.db2.gz RAPPTEAZCPTNGY-CYBMUJFWSA-N 2 2 229.327 2.091 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001236242979 979464821 /nfs/dbraw/zinc/46/48/21/979464821.db2.gz RAPPTEAZCPTNGY-CYBMUJFWSA-N 2 2 229.327 2.091 20 0 BEADLP Nc1ccc(-c2ccc(C3([NH3+])CC3)cc2)c[nH+]1 ZINC001236313550 979520424 /nfs/dbraw/zinc/52/04/24/979520424.db2.gz UXISFERCJKBWRJ-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP C[NH2+]Cc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236315158 979526236 /nfs/dbraw/zinc/52/62/36/979526236.db2.gz ICDJJNLQBXHQJY-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP CC/C=C\CCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334299 979538720 /nfs/dbraw/zinc/53/87/20/979538720.db2.gz ODEDDGAVQNWQLT-ZRUQZJFASA-N 2 2 240.391 2.043 20 0 BEADLP CC/C=C\CCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334299 979538732 /nfs/dbraw/zinc/53/87/32/979538732.db2.gz ODEDDGAVQNWQLT-ZRUQZJFASA-N 2 2 240.391 2.043 20 0 BEADLP CNc1cc(-c2cccc3c2CC[NH2+]C3)cc[nH+]1 ZINC001236358662 979552541 /nfs/dbraw/zinc/55/25/41/979552541.db2.gz JBQLTRWCNMYFOO-UHFFFAOYSA-N 2 2 239.322 2.436 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC001183001062 979696043 /nfs/dbraw/zinc/69/60/43/979696043.db2.gz RPXLNFIYEQPUSJ-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC001183001062 979696049 /nfs/dbraw/zinc/69/60/49/979696049.db2.gz RPXLNFIYEQPUSJ-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2ncccc2c1 ZINC001236866101 979769485 /nfs/dbraw/zinc/76/94/85/979769485.db2.gz SEHGWLBQOFTFDH-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001236866101 979769487 /nfs/dbraw/zinc/76/94/87/979769487.db2.gz SEHGWLBQOFTFDH-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cncc2ccccc21 ZINC001236867816 979769870 /nfs/dbraw/zinc/76/98/70/979769870.db2.gz BOCMMNJQLHOWHF-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cncc2ccccc21 ZINC001236867816 979769884 /nfs/dbraw/zinc/76/98/84/979769884.db2.gz BOCMMNJQLHOWHF-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCc1ccc(F)cc1Cl ZINC001236886007 979781039 /nfs/dbraw/zinc/78/10/39/979781039.db2.gz YYCPAKSCOJXCJX-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccc(F)cc1Cl ZINC001236886007 979781047 /nfs/dbraw/zinc/78/10/47/979781047.db2.gz YYCPAKSCOJXCJX-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP Cc1ccc(Cl)cc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236904508 979792072 /nfs/dbraw/zinc/79/20/72/979792072.db2.gz PXAUNBLDJMWCQY-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1ccc(Cl)cc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236904508 979792082 /nfs/dbraw/zinc/79/20/82/979792082.db2.gz PXAUNBLDJMWCQY-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cnc(C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC001238435185 980260153 /nfs/dbraw/zinc/26/01/53/980260153.db2.gz SILILZPLERSSRD-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1cnc(C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC001238435185 980260160 /nfs/dbraw/zinc/26/01/60/980260160.db2.gz SILILZPLERSSRD-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1cc(C2=CCC[NH2+]CC2)c2[nH+]ccn2c1 ZINC001238940576 980379025 /nfs/dbraw/zinc/37/90/25/980379025.db2.gz DAIFFKPCMRWOQQ-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC001348009442 981243604 /nfs/dbraw/zinc/24/36/04/981243604.db2.gz PEEFFXODCYLQGU-ZYHUDNBSSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC001348009442 981243610 /nfs/dbraw/zinc/24/36/10/981243610.db2.gz PEEFFXODCYLQGU-ZYHUDNBSSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(-c2ccc3c(c2)CC[NH2+]C3)c[nH+]c1N ZINC001240457143 981392944 /nfs/dbraw/zinc/39/29/44/981392944.db2.gz VMGLYVJDTQSEHG-UHFFFAOYSA-N 2 2 239.322 2.285 20 0 BEADLP C[C@H]([NH3+])c1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240517668 981445728 /nfs/dbraw/zinc/44/57/28/981445728.db2.gz AZTGNELSKFFVDG-JTQLQIEISA-N 2 2 238.294 2.416 20 0 BEADLP c1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)n(C2CC2)c1 ZINC001580888240 981716415 /nfs/dbraw/zinc/71/64/15/981716415.db2.gz UYRGQZYCQUQOJQ-CABCVRRESA-N 2 2 245.370 2.197 20 0 BEADLP c1cc2cc(C[NH2+]C[C@H]3CCC[NH2+]3)ccc2o1 ZINC001580892114 981725162 /nfs/dbraw/zinc/72/51/62/981725162.db2.gz NFPPLXSMXVTCFC-CYBMUJFWSA-N 2 2 230.311 2.274 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205806298 982569520 /nfs/dbraw/zinc/56/95/20/982569520.db2.gz TVAHUWLSWREWSZ-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205806298 982569525 /nfs/dbraw/zinc/56/95/25/982569525.db2.gz TVAHUWLSWREWSZ-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@H](C[NH2+]C/C=C/c1ccc(F)cc1)[NH+](C)C ZINC001200232184 982707369 /nfs/dbraw/zinc/70/73/69/982707369.db2.gz ISHCXDRWNYXZIX-ZYOFXKKJSA-N 2 2 236.334 2.379 20 0 BEADLP CC[C@@H](C)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201511344 983277520 /nfs/dbraw/zinc/27/75/20/983277520.db2.gz JOQIGRGGTTUWGP-GFCCVEGCSA-N 2 2 212.381 2.449 20 0 BEADLP CC[C@@H](C)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201511344 983277528 /nfs/dbraw/zinc/27/75/28/983277528.db2.gz JOQIGRGGTTUWGP-GFCCVEGCSA-N 2 2 212.381 2.449 20 0 BEADLP CCC[C@H](C)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201553551 983309287 /nfs/dbraw/zinc/30/92/87/983309287.db2.gz OHJIIBVPCNYTDZ-MELADBBJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201553551 983309291 /nfs/dbraw/zinc/30/92/91/983309291.db2.gz OHJIIBVPCNYTDZ-MELADBBJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201553551 983309296 /nfs/dbraw/zinc/30/92/96/983309296.db2.gz OHJIIBVPCNYTDZ-MELADBBJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201553551 983309301 /nfs/dbraw/zinc/30/93/01/983309301.db2.gz OHJIIBVPCNYTDZ-MELADBBJSA-N 2 2 224.392 2.449 20 0 BEADLP CC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201516955 983313847 /nfs/dbraw/zinc/31/38/47/983313847.db2.gz HREJGPUGYWVADR-YNEHKIRRSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)[N@H+](CC1CC1)C1CC[NH+](C)CC1 ZINC001201952359 983523962 /nfs/dbraw/zinc/52/39/62/983523962.db2.gz NMKGKRFJUWQNCD-UHFFFAOYSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)[N@@H+](CC1CC1)C1CC[NH+](C)CC1 ZINC001201952359 983523968 /nfs/dbraw/zinc/52/39/68/983523968.db2.gz NMKGKRFJUWQNCD-UHFFFAOYSA-N 2 2 210.365 2.201 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)CC1CCCC1 ZINC001202190051 983596187 /nfs/dbraw/zinc/59/61/87/983596187.db2.gz KAWUUESLLHFBLW-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CCCC1 ZINC001202190051 983596201 /nfs/dbraw/zinc/59/62/01/983596201.db2.gz KAWUUESLLHFBLW-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@H]1C[NH2+]C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849013 984184421 /nfs/dbraw/zinc/18/44/21/984184421.db2.gz AARZDIBUAXYBMX-DGCLKSJQSA-N 2 2 243.354 2.256 20 0 BEADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849012 984185115 /nfs/dbraw/zinc/18/51/15/984185115.db2.gz AARZDIBUAXYBMX-AAEUAGOBSA-N 2 2 243.354 2.256 20 0 BEADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849015 984185632 /nfs/dbraw/zinc/18/56/32/984185632.db2.gz AARZDIBUAXYBMX-YPMHNXCESA-N 2 2 243.354 2.256 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000389371512 984337603 /nfs/dbraw/zinc/33/76/03/984337603.db2.gz LRSZOBHACUMLGZ-LBPRGKRZSA-N 2 2 216.344 2.200 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCCF ZINC000389371512 984337611 /nfs/dbraw/zinc/33/76/11/984337611.db2.gz LRSZOBHACUMLGZ-LBPRGKRZSA-N 2 2 216.344 2.200 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(Cl)s2)CC[NH2+]1 ZINC000718147885 984393589 /nfs/dbraw/zinc/39/35/89/984393589.db2.gz ILMDKCXULPEBSY-HTQZYQBOSA-N 2 2 245.779 2.027 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(Cl)s2)CC[NH2+]1 ZINC000718147886 984394269 /nfs/dbraw/zinc/39/42/69/984394269.db2.gz ILMDKCXULPEBSY-JGVFFNPUSA-N 2 2 245.779 2.027 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C2([NH3+])CCC2)cc1 ZINC001243067919 984483178 /nfs/dbraw/zinc/48/31/78/984483178.db2.gz QWFGOIGTXXFAHB-UHFFFAOYSA-N 2 2 227.311 2.425 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(C2([NH3+])CCC2)c1 ZINC001243069283 984488403 /nfs/dbraw/zinc/48/84/03/984488403.db2.gz FDTPGDGXYAKNCC-UHFFFAOYSA-N 2 2 227.311 2.425 20 0 BEADLP Cn1c[nH+]cc1-c1ccccc1C(C)(C)[NH3+] ZINC001243069743 984495258 /nfs/dbraw/zinc/49/52/58/984495258.db2.gz KDEXYLBANNWZPJ-UHFFFAOYSA-N 2 2 215.300 2.281 20 0 BEADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccco1)C2 ZINC001275235276 984525744 /nfs/dbraw/zinc/52/57/44/984525744.db2.gz QLNIZUDUFKXCHY-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccco1)C2 ZINC001275235276 984525754 /nfs/dbraw/zinc/52/57/54/984525754.db2.gz QLNIZUDUFKXCHY-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC001275235276 984525762 /nfs/dbraw/zinc/52/57/62/984525762.db2.gz QLNIZUDUFKXCHY-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC001275235276 984525768 /nfs/dbraw/zinc/52/57/68/984525768.db2.gz QLNIZUDUFKXCHY-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP Cc1cccc(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c1C ZINC001276228012 984830877 /nfs/dbraw/zinc/83/08/77/984830877.db2.gz CCYGYYYQNXRCSV-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP Cc1cccc(C[NH+]2CC3(C2)CC[N@H+](C)C3)c1C ZINC001276228012 984830879 /nfs/dbraw/zinc/83/08/79/984830879.db2.gz CCYGYYYQNXRCSV-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP CCCC[C@H](CC)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001257417324 984972466 /nfs/dbraw/zinc/97/24/66/984972466.db2.gz BOJHZUBARDWTST-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC[C@H](CC)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001257417324 984972476 /nfs/dbraw/zinc/97/24/76/984972476.db2.gz BOJHZUBARDWTST-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP C[N@H+](Cc1cccc2c1NCCC2)CC(C)(C)[NH3+] ZINC001578494315 985121585 /nfs/dbraw/zinc/12/15/85/985121585.db2.gz NSMYYDKPYRWFRI-UHFFFAOYSA-N 2 2 247.386 2.214 20 0 BEADLP C[N@@H+](Cc1cccc2c1NCCC2)CC(C)(C)[NH3+] ZINC001578494315 985121596 /nfs/dbraw/zinc/12/15/96/985121596.db2.gz NSMYYDKPYRWFRI-UHFFFAOYSA-N 2 2 247.386 2.214 20 0 BEADLP Cc1[nH+]cn([C@H](C)Cc2ccco2)c1CC[NH3+] ZINC001258176381 985568756 /nfs/dbraw/zinc/56/87/56/985568756.db2.gz SRYWKWPINJZHEO-SNVBAGLBSA-N 2 2 233.315 2.089 20 0 BEADLP c1cnc(C2=C[NH2+]CCC2)c(C[NH+]2CCCC2)c1 ZINC001243949127 985636775 /nfs/dbraw/zinc/63/67/75/985636775.db2.gz JAYWVFMAACOAKZ-UHFFFAOYSA-N 2 2 243.354 2.402 20 0 BEADLP CSc1ccccc1C[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579393256 985870024 /nfs/dbraw/zinc/87/00/24/985870024.db2.gz ZFHIDSDYOIFHBV-IMRBUKKESA-N 2 2 248.395 2.058 20 0 BEADLP CSc1ccccc1C[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579393256 985870026 /nfs/dbraw/zinc/87/00/26/985870026.db2.gz ZFHIDSDYOIFHBV-IMRBUKKESA-N 2 2 248.395 2.058 20 0 BEADLP C[C@H](CC1CC1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258457452 985897529 /nfs/dbraw/zinc/89/75/29/985897529.db2.gz HZLQXHICSSXVKM-LLVKDONJSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H](CC1CC1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258457452 985897534 /nfs/dbraw/zinc/89/75/34/985897534.db2.gz HZLQXHICSSXVKM-LLVKDONJSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C/C=C/c1cccc(F)c1 ZINC001579467551 985967214 /nfs/dbraw/zinc/96/72/14/985967214.db2.gz NYOYHXMEYPQCIJ-UOLJMSNASA-N 2 2 234.318 2.036 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC001462480788 986404498 /nfs/dbraw/zinc/40/44/98/986404498.db2.gz QGPYJWPTWMTZIP-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC001462480788 986404505 /nfs/dbraw/zinc/40/45/05/986404505.db2.gz QGPYJWPTWMTZIP-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC001462639734 986473120 /nfs/dbraw/zinc/47/31/20/986473120.db2.gz BSTMLALGMOFFHS-LBPRGKRZSA-N 2 2 246.345 2.148 20 0 BEADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC001462639734 986473130 /nfs/dbraw/zinc/47/31/30/986473130.db2.gz BSTMLALGMOFFHS-LBPRGKRZSA-N 2 2 246.345 2.148 20 0 BEADLP CNc1cc(-c2cccc3c2C[NH2+]CC3)cc[nH+]1 ZINC001244974046 986552302 /nfs/dbraw/zinc/55/23/02/986552302.db2.gz WUEYRIJPASHSOA-UHFFFAOYSA-N 2 2 239.322 2.436 20 0 BEADLP [NH3+]CC[C@@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)C(F)F ZINC001580284914 986733386 /nfs/dbraw/zinc/73/33/86/986733386.db2.gz XMJDMALTHWEKRV-XWLWVQCSSA-N 2 2 232.318 2.137 20 0 BEADLP CCCC(CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246078353 987352933 /nfs/dbraw/zinc/35/29/33/987352933.db2.gz APGQHHYIZWYGSX-VXGBXAGGSA-N 2 2 216.344 2.245 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088507 987388229 /nfs/dbraw/zinc/38/82/29/987388229.db2.gz KEHAYMOJBSASIZ-KGLIPLIRSA-N 2 2 242.407 2.313 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090709 987396879 /nfs/dbraw/zinc/39/68/79/987396879.db2.gz GQYQAHCRRYXEKO-RNJOBUHISA-N 2 2 230.371 2.491 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@H]1C ZINC001246112800 987449166 /nfs/dbraw/zinc/44/91/66/987449166.db2.gz SAFDMFZNCFMURU-KVSVUVNWSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246136942 987492155 /nfs/dbraw/zinc/49/21/55/987492155.db2.gz YSLLWYGASWFXGD-SMDDNHRTSA-N 2 2 248.345 2.098 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(N)c1 ZINC001246174620 987543859 /nfs/dbraw/zinc/54/38/59/987543859.db2.gz FROGZRUOEPHWDF-RISCZKNCSA-N 2 2 233.359 2.062 20 0 BEADLP Fc1ccc(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246180038 987549216 /nfs/dbraw/zinc/54/92/16/987549216.db2.gz QFEFEBBYNYYRNV-UHFFFAOYSA-N 2 2 242.725 2.321 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246201734 987598522 /nfs/dbraw/zinc/59/85/22/987598522.db2.gz FZMMVELBOKFMSN-GVXVVHGQSA-N 2 2 234.343 2.183 20 0 BEADLP C[C@H](C[NH2+]C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC001473932936 987621237 /nfs/dbraw/zinc/62/12/37/987621237.db2.gz GRJXWYRRJHZKAK-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+]C1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC001473932936 987621239 /nfs/dbraw/zinc/62/12/39/987621239.db2.gz GRJXWYRRJHZKAK-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc2cc(C[NH2+][C@@H]3CCCC[NH2+]C3)ccc2[nH]1 ZINC001246231883 987629425 /nfs/dbraw/zinc/62/94/25/987629425.db2.gz TVDNUXUAROIXRQ-CQSZACIVSA-N 2 2 243.354 2.400 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246241751 987641590 /nfs/dbraw/zinc/64/15/90/987641590.db2.gz ZNBLGGADRHLPLJ-RDBSUJKOSA-N 2 2 242.407 2.312 20 0 BEADLP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246240324 987641778 /nfs/dbraw/zinc/64/17/78/987641778.db2.gz UZWDMAQGQSGUKG-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246240956 987642455 /nfs/dbraw/zinc/64/24/55/987642455.db2.gz SYIWPZWGXADWII-CMPLNLGQSA-N 2 2 229.327 2.008 20 0 BEADLP CCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246241750 987643103 /nfs/dbraw/zinc/64/31/03/987643103.db2.gz ZNBLGGADRHLPLJ-IHRRRGAJSA-N 2 2 242.407 2.312 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N)cc1 ZINC001246291273 987683780 /nfs/dbraw/zinc/68/37/80/987683780.db2.gz TUHWTVFAMJHBHK-UHIISALHSA-N 2 2 233.359 2.060 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC001246323819 987730389 /nfs/dbraw/zinc/73/03/89/987730389.db2.gz FVHFQFCUVQKDSS-KGLIPLIRSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2cccnc2)C2CC2)C[NH2+]1 ZINC001246329019 987733989 /nfs/dbraw/zinc/73/39/89/987733989.db2.gz MTOPWOLVAIAVMO-UGFHNGPFSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C[C@@H]1C ZINC001246337269 987745196 /nfs/dbraw/zinc/74/51/96/987745196.db2.gz QRYMRHZMRGJPSM-MROQNXINSA-N 2 2 242.432 2.106 20 0 BEADLP CC1(C)CCC([NH2+]C[C@H]2CSCC[NH2+]2)CC1 ZINC001246338612 987750197 /nfs/dbraw/zinc/75/01/97/987750197.db2.gz ZYRHCHOLKLNLGV-LBPRGKRZSA-N 2 2 242.432 2.250 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]C(C)(C)Cc2ccncc2)C[NH2+]1 ZINC001246408992 987787128 /nfs/dbraw/zinc/78/71/28/987787128.db2.gz UGDSRWFRVFNCCX-GXTWGEPZSA-N 2 2 247.386 2.133 20 0 BEADLP Fc1cccnc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001246456292 987812615 /nfs/dbraw/zinc/81/26/15/987812615.db2.gz KTDVNYNFDLDPPN-CYBMUJFWSA-N 2 2 249.333 2.013 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246505674 987858673 /nfs/dbraw/zinc/85/86/73/987858673.db2.gz GBIIMSPBOAMOHU-FPMFFAJLSA-N 2 2 218.344 2.465 20 0 BEADLP CC1(C)C[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)CCO1 ZINC001246508169 987863694 /nfs/dbraw/zinc/86/36/94/987863694.db2.gz QGCVUXGVVQKMGS-UONOGXRCSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC001246525579 987877608 /nfs/dbraw/zinc/87/76/08/987877608.db2.gz JUMSNOXVPSGFBC-JKOKRWQUSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2CC[NH2+][C@@H](C)C2)no1 ZINC001246525579 987877610 /nfs/dbraw/zinc/87/76/10/987877610.db2.gz JUMSNOXVPSGFBC-JKOKRWQUSA-N 2 2 249.358 2.260 20 0 BEADLP CCCC[C@H](CCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546370 987925813 /nfs/dbraw/zinc/92/58/13/987925813.db2.gz GHHUXCRRRVRWKH-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](CCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546370 987925825 /nfs/dbraw/zinc/92/58/25/987925825.db2.gz GHHUXCRRRVRWKH-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cccc2c1CC[N@@H+]([C@@H]1CCCC[NH2+]C1)C2 ZINC001246549397 987933189 /nfs/dbraw/zinc/93/31/89/987933189.db2.gz QGSGYHLEKLUYKW-OAHLLOKOSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1cccc2c1CC[N@H+]([C@@H]1CCCC[NH2+]C1)C2 ZINC001246549397 987933202 /nfs/dbraw/zinc/93/32/02/987933202.db2.gz QGSGYHLEKLUYKW-OAHLLOKOSA-N 2 2 244.382 2.495 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001118059937 988000259 /nfs/dbraw/zinc/00/02/59/988000259.db2.gz VHAJYOKBRKTJJG-GHMZBOCLSA-N 2 2 242.725 2.449 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCCC2)C1 ZINC001246581025 988117287 /nfs/dbraw/zinc/11/72/87/988117287.db2.gz POQYPLDYSJCVAV-GFCCVEGCSA-N 2 2 214.328 2.082 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCCC2)C1 ZINC001246581025 988117301 /nfs/dbraw/zinc/11/73/01/988117301.db2.gz POQYPLDYSJCVAV-GFCCVEGCSA-N 2 2 214.328 2.082 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246587759 988145834 /nfs/dbraw/zinc/14/58/34/988145834.db2.gz VJQMPXUSLRMOBU-IJLUTSLNSA-N 2 2 216.344 2.182 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246587759 988145846 /nfs/dbraw/zinc/14/58/46/988145846.db2.gz VJQMPXUSLRMOBU-IJLUTSLNSA-N 2 2 216.344 2.182 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246615241 988253491 /nfs/dbraw/zinc/25/34/91/988253491.db2.gz RUXBZNUKHDVSEE-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[C@@H](C)CC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246615239 988257466 /nfs/dbraw/zinc/25/74/66/988257466.db2.gz RUXBZNUKHDVSEE-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCF)[nH+]1 ZINC001322863163 988390037 /nfs/dbraw/zinc/39/00/37/988390037.db2.gz SGAAFLCBAZNZEW-LBPRGKRZSA-N 2 2 237.322 2.236 20 0 BEADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCF)[nH+]1 ZINC001322863163 988390055 /nfs/dbraw/zinc/39/00/55/988390055.db2.gz SGAAFLCBAZNZEW-LBPRGKRZSA-N 2 2 237.322 2.236 20 0 BEADLP CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664637 988402530 /nfs/dbraw/zinc/40/25/30/988402530.db2.gz YUAFTABHHKJMKC-RWMBFGLXSA-N 2 2 210.365 2.234 20 0 BEADLP CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664637 988402540 /nfs/dbraw/zinc/40/25/40/988402540.db2.gz YUAFTABHHKJMKC-RWMBFGLXSA-N 2 2 210.365 2.234 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@H]1C ZINC001246664769 988406146 /nfs/dbraw/zinc/40/61/46/988406146.db2.gz ZAPZZQIRESWMHR-PEBLQZBPSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@H]1C ZINC001246664769 988406150 /nfs/dbraw/zinc/40/61/50/988406150.db2.gz ZAPZZQIRESWMHR-PEBLQZBPSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793294 988473154 /nfs/dbraw/zinc/47/31/54/988473154.db2.gz USBRBRBVSGNOLE-BPLDGKMQSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793294 988473159 /nfs/dbraw/zinc/47/31/59/988473159.db2.gz USBRBRBVSGNOLE-BPLDGKMQSA-N 2 2 245.370 2.011 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(C)cc2)C1 ZINC001246811447 988494337 /nfs/dbraw/zinc/49/43/37/988494337.db2.gz DAUMIXDUKHYYCT-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C)cc2)C1 ZINC001246811447 988494343 /nfs/dbraw/zinc/49/43/43/988494343.db2.gz DAUMIXDUKHYYCT-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246859281 988584828 /nfs/dbraw/zinc/58/48/28/988584828.db2.gz JCWBCMKCAGATLQ-ZLDLUXBVSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246859281 988584844 /nfs/dbraw/zinc/58/48/44/988584844.db2.gz JCWBCMKCAGATLQ-ZLDLUXBVSA-N 2 2 248.345 2.180 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001323767963 988596532 /nfs/dbraw/zinc/59/65/32/988596532.db2.gz LOLFTCXXPTXTNS-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001323767963 988596544 /nfs/dbraw/zinc/59/65/44/988596544.db2.gz LOLFTCXXPTXTNS-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001323767963 988596559 /nfs/dbraw/zinc/59/65/59/988596559.db2.gz LOLFTCXXPTXTNS-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001323767963 988596596 /nfs/dbraw/zinc/59/65/96/988596596.db2.gz LOLFTCXXPTXTNS-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001323767960 988607278 /nfs/dbraw/zinc/60/72/78/988607278.db2.gz LOLFTCXXPTXTNS-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001323767960 988607291 /nfs/dbraw/zinc/60/72/91/988607291.db2.gz LOLFTCXXPTXTNS-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001323767960 988607304 /nfs/dbraw/zinc/60/73/04/988607304.db2.gz LOLFTCXXPTXTNS-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001323767960 988607315 /nfs/dbraw/zinc/60/73/15/988607315.db2.gz LOLFTCXXPTXTNS-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863560 988612676 /nfs/dbraw/zinc/61/26/76/988612676.db2.gz QPRLIPPBQSKXJZ-YPMHNXCESA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863560 988612695 /nfs/dbraw/zinc/61/26/95/988612695.db2.gz QPRLIPPBQSKXJZ-YPMHNXCESA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880254 988649726 /nfs/dbraw/zinc/64/97/26/988649726.db2.gz ILURARKZKKOXTQ-IAQYHMDHSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880254 988649735 /nfs/dbraw/zinc/64/97/35/988649735.db2.gz ILURARKZKKOXTQ-IAQYHMDHSA-N 2 2 248.345 2.324 20 0 BEADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246922094 988736357 /nfs/dbraw/zinc/73/63/57/988736357.db2.gz UOKCZJFIRWWVPH-OCCSQVGLSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246922094 988736379 /nfs/dbraw/zinc/73/63/79/988736379.db2.gz UOKCZJFIRWWVPH-OCCSQVGLSA-N 2 2 224.392 2.351 20 0 BEADLP COCC[N@H+]([C@@H](C)CCC(C)C)[C@H]1CC[NH2+]C1 ZINC001246927589 988751628 /nfs/dbraw/zinc/75/16/28/988751628.db2.gz HGUZXYTZAHPOER-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@@H+]([C@@H](C)CCC(C)C)[C@H]1CC[NH2+]C1 ZINC001246927589 988751640 /nfs/dbraw/zinc/75/16/40/988751640.db2.gz HGUZXYTZAHPOER-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc2c(c1)CC[N@H+]([C@H]1CCCC[NH2+]C1)C2 ZINC001246966816 988793504 /nfs/dbraw/zinc/79/35/04/988793504.db2.gz KCTPNLFLZWKFAT-INIZCTEOSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1ccc2c(c1)CC[N@@H+]([C@H]1CCCC[NH2+]C1)C2 ZINC001246966816 988793508 /nfs/dbraw/zinc/79/35/08/988793508.db2.gz KCTPNLFLZWKFAT-INIZCTEOSA-N 2 2 244.382 2.495 20 0 BEADLP CCCCC(CCCC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982937 988803561 /nfs/dbraw/zinc/80/35/61/988803561.db2.gz KFIOJTRQXKVMDY-UONOGXRCSA-N 2 2 242.407 2.393 20 0 BEADLP CCCCC(CCCC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982937 988803566 /nfs/dbraw/zinc/80/35/66/988803566.db2.gz KFIOJTRQXKVMDY-UONOGXRCSA-N 2 2 242.407 2.393 20 0 BEADLP CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983847 988817105 /nfs/dbraw/zinc/81/71/05/988817105.db2.gz UONKNRCQWIKVQA-MELADBBJSA-N 2 2 242.407 2.249 20 0 BEADLP CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983847 988817112 /nfs/dbraw/zinc/81/71/12/988817112.db2.gz UONKNRCQWIKVQA-MELADBBJSA-N 2 2 242.407 2.249 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)C1(C)C ZINC001324700298 988937698 /nfs/dbraw/zinc/93/76/98/988937698.db2.gz HUPUYKVVHAULEV-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)C1(C)C ZINC001324700298 988937712 /nfs/dbraw/zinc/93/77/12/988937712.db2.gz HUPUYKVVHAULEV-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccnc1Cl ZINC001326474626 989564788 /nfs/dbraw/zinc/56/47/88/989564788.db2.gz YXYKESQKPBLMAU-VHSXEESVSA-N 2 2 241.766 2.384 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC001326473921 989575524 /nfs/dbraw/zinc/57/55/24/989575524.db2.gz QLWSLZYAHFEGIN-BDAKNGLRSA-N 2 2 241.404 2.409 20 0 BEADLP Cc1cc(C[NH2+]CCC[NH+]2CCC2)c(C)o1 ZINC001326795836 989716990 /nfs/dbraw/zinc/71/69/90/989716990.db2.gz LQFMPPMJUQPEEK-UHFFFAOYSA-N 2 2 222.332 2.082 20 0 BEADLP c1cn([C@@H]2CCCN(c3cc[nH+]cc3)C2)c[nH+]1 ZINC001120780288 989877396 /nfs/dbraw/zinc/87/73/96/989877396.db2.gz VQHSEMHKPKLAJM-CYBMUJFWSA-N 2 2 228.299 2.120 20 0 BEADLP c1cc(O[C@@H]2CCN(c3cc[nH+]cc3)C2)cc[nH+]1 ZINC001120860648 989930163 /nfs/dbraw/zinc/93/01/63/989930163.db2.gz OTURFALBNSRDHV-CQSZACIVSA-N 2 2 241.294 2.134 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ocnc1C ZINC001308554708 991036906 /nfs/dbraw/zinc/03/69/06/991036906.db2.gz KJEUZNBAOVWHKN-NSHDSACASA-N 2 2 239.363 2.193 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCSC ZINC001258199299 991115360 /nfs/dbraw/zinc/11/53/60/991115360.db2.gz FCNZUWLZGMCWMV-GFCCVEGCSA-N 2 2 232.437 2.450 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCSC ZINC001258199299 991115365 /nfs/dbraw/zinc/11/53/65/991115365.db2.gz FCNZUWLZGMCWMV-GFCCVEGCSA-N 2 2 232.437 2.450 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258207164 991127105 /nfs/dbraw/zinc/12/71/05/991127105.db2.gz VJPJKFRXDAALPR-STQMWFEESA-N 2 2 244.448 2.448 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258207164 991127119 /nfs/dbraw/zinc/12/71/19/991127119.db2.gz VJPJKFRXDAALPR-STQMWFEESA-N 2 2 244.448 2.448 20 0 BEADLP CSC(C)(C)C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC001258314630 991238787 /nfs/dbraw/zinc/23/87/87/991238787.db2.gz HPVSDWNGPAQGPK-MNOVXSKESA-N 2 2 232.437 2.446 20 0 BEADLP CC[N@H+](Cc1ccc(C)nc1)C1CC[NH+](C)CC1 ZINC001139931909 991423912 /nfs/dbraw/zinc/42/39/12/991423912.db2.gz YAFWTGXRFVXMQL-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1ccc(C)nc1)C1CC[NH+](C)CC1 ZINC001139931909 991423918 /nfs/dbraw/zinc/42/39/18/991423918.db2.gz YAFWTGXRFVXMQL-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001258706994 991637703 /nfs/dbraw/zinc/63/77/03/991637703.db2.gz ZJQXUDQKIBURIA-RRFJBIMHSA-N 2 2 232.371 2.477 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)C1 ZINC001560943796 991663986 /nfs/dbraw/zinc/66/39/86/991663986.db2.gz ANPVHHCSPLRGQC-MNOVXSKESA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)C1 ZINC001560943796 991663992 /nfs/dbraw/zinc/66/39/92/991663992.db2.gz ANPVHHCSPLRGQC-MNOVXSKESA-N 2 2 246.345 2.352 20 0 BEADLP CCC[NH+]1CCC([NH2+]CC(=O)C(C)(C)C)CC1 ZINC001258764828 991722852 /nfs/dbraw/zinc/72/28/52/991722852.db2.gz MMVVGNBQJBEAJW-UHFFFAOYSA-N 2 2 240.391 2.066 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001258777368 991747572 /nfs/dbraw/zinc/74/75/72/991747572.db2.gz SFMDYXGBYZDVGB-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP CCC[NH+]1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001258777368 991747581 /nfs/dbraw/zinc/74/75/81/991747581.db2.gz SFMDYXGBYZDVGB-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001574979916 992958077 /nfs/dbraw/zinc/95/80/77/992958077.db2.gz NDHPQTHQNJDQOR-SUIFULHWSA-N 2 2 218.344 2.369 20 0 BEADLP C/C(=C/c1ccccc1)C[N@H+](C)C[C@H](C)[NH3+] ZINC001574979916 992958085 /nfs/dbraw/zinc/95/80/85/992958085.db2.gz NDHPQTHQNJDQOR-SUIFULHWSA-N 2 2 218.344 2.369 20 0 BEADLP C[C@@H](CSc1ccccc1)[N@H+](C)CC[NH3+] ZINC001576050167 993166675 /nfs/dbraw/zinc/16/66/75/993166675.db2.gz OTYFDLXKBZZWIZ-NSHDSACASA-N 2 2 224.373 2.058 20 0 BEADLP C[C@@H](CSc1ccccc1)[N@@H+](C)CC[NH3+] ZINC001576050167 993166679 /nfs/dbraw/zinc/16/66/79/993166679.db2.gz OTYFDLXKBZZWIZ-NSHDSACASA-N 2 2 224.373 2.058 20 0 BEADLP Cc1[nH+]ccn1CCNc1[nH+]cccc1C ZINC000380618343 993338551 /nfs/dbraw/zinc/33/85/51/993338551.db2.gz ZYCOYVWSTOFQAU-UHFFFAOYSA-N 2 2 216.288 2.007 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000382515073 993462448 /nfs/dbraw/zinc/46/24/48/993462448.db2.gz QXMBPOZZEQSBQZ-VXGBXAGGSA-N 2 2 248.374 2.012 20 0 BEADLP CC[N@H+](C[C@@H](CC(C)C)OC)[C@H]1CCC[NH2+]C1 ZINC001577671571 993719046 /nfs/dbraw/zinc/71/90/46/993719046.db2.gz LKHCVFRONUBTBA-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C[C@@H](CC(C)C)OC)[C@H]1CCC[NH2+]C1 ZINC001577671571 993719053 /nfs/dbraw/zinc/71/90/53/993719053.db2.gz LKHCVFRONUBTBA-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccnc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001621051723 1170190952 /nfs/dbraw/zinc/19/09/52/1170190952.db2.gz PJOBMLIKCGZXPF-ZDUSSCGKSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ccnc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC001621051723 1170190958 /nfs/dbraw/zinc/19/09/58/1170190958.db2.gz PJOBMLIKCGZXPF-ZDUSSCGKSA-N 2 2 247.386 2.352 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628781 1170689792 /nfs/dbraw/zinc/68/97/92/1170689792.db2.gz XLAMOCPAMHWIHS-GUTXKFCHSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628781 1170689795 /nfs/dbraw/zinc/68/97/95/1170689795.db2.gz XLAMOCPAMHWIHS-GUTXKFCHSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccccn1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001620628781 1170689800 /nfs/dbraw/zinc/68/98/00/1170689800.db2.gz XLAMOCPAMHWIHS-GUTXKFCHSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccccn1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001620628781 1170689804 /nfs/dbraw/zinc/68/98/04/1170689804.db2.gz XLAMOCPAMHWIHS-GUTXKFCHSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cscn1 ZINC000161211858 538914992 /nfs/dbraw/zinc/91/49/92/538914992.db2.gz KKJZKUTZDNYXPX-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cscn1 ZINC000161211858 538914993 /nfs/dbraw/zinc/91/49/93/538914993.db2.gz KKJZKUTZDNYXPX-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000378684629 346807998 /nfs/dbraw/zinc/80/79/98/346807998.db2.gz DJULHDAOZMMGKZ-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000378684629 346808001 /nfs/dbraw/zinc/80/80/01/346808001.db2.gz DJULHDAOZMMGKZ-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP CCc1cc(N2CCn3cc(C)[nH+]c3C2)cc[nH+]1 ZINC000649322524 398143948 /nfs/dbraw/zinc/14/39/48/398143948.db2.gz CPTURLLUEUQLEA-UHFFFAOYSA-N 2 2 242.326 2.169 20 0 BEADLP CC(C)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188418 349501028 /nfs/dbraw/zinc/50/10/28/349501028.db2.gz GMVCZWXZTOHFOX-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188418 349501029 /nfs/dbraw/zinc/50/10/29/349501029.db2.gz GMVCZWXZTOHFOX-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP FC1(F)CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000390118694 398157236 /nfs/dbraw/zinc/15/72/36/398157236.db2.gz MXJZDDYOAZIRSA-UHFFFAOYSA-N 2 2 229.274 2.051 20 0 BEADLP Clc1cscc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380073981 398183649 /nfs/dbraw/zinc/18/36/49/398183649.db2.gz GJRNZCJOAILHRA-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1cscc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000380073981 398183654 /nfs/dbraw/zinc/18/36/54/398183654.db2.gz GJRNZCJOAILHRA-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccs1 ZINC000313277443 398180460 /nfs/dbraw/zinc/18/04/60/398180460.db2.gz AKSBEBKPEJCSNR-SNVBAGLBSA-N 2 2 235.356 2.375 20 0 BEADLP CC[C@H](C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000421381225 192323833 /nfs/dbraw/zinc/32/38/33/192323833.db2.gz MSDYGITXAHHULS-NSHDSACASA-N 2 2 217.316 2.470 20 0 BEADLP Cc1cc(N(C)CCCn2cc[nH+]c2)cc[nH+]1 ZINC000274905899 178098779 /nfs/dbraw/zinc/09/87/79/178098779.db2.gz MEYTVMFFWRKCPB-UHFFFAOYSA-N 2 2 230.315 2.113 20 0 BEADLP CSC1(C[NH2+]CCc2cc[nH+]cc2C)CC1 ZINC000289957920 398194379 /nfs/dbraw/zinc/19/43/79/398194379.db2.gz BCXYNBZPSRLRRV-UHFFFAOYSA-N 2 2 236.384 2.418 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC1(C)C ZINC000336748580 398198487 /nfs/dbraw/zinc/19/84/87/398198487.db2.gz SRNXRLXVJSIHLX-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(N2CC[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301175335 178117035 /nfs/dbraw/zinc/11/70/35/178117035.db2.gz WJCMAXJEBCOUJH-GFCCVEGCSA-N 2 2 248.374 2.049 20 0 BEADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000576338130 365569442 /nfs/dbraw/zinc/56/94/42/365569442.db2.gz PZHKXCQYFXWQBT-QWHCGFSZSA-N 2 2 230.311 2.402 20 0 BEADLP Cc1cc(NCC2(C[NH+](C)C)CCCC2)nc[nH+]1 ZINC000302106869 178156827 /nfs/dbraw/zinc/15/68/27/178156827.db2.gz AAWPVNSUJMPYED-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1cc(NCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000044509202 178158054 /nfs/dbraw/zinc/15/80/54/178158054.db2.gz LPQFLRYYRQRRLO-UHFFFAOYSA-N 2 2 248.374 2.320 20 0 BEADLP Cc1cc(NCC[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000040444345 178161368 /nfs/dbraw/zinc/16/13/68/178161368.db2.gz FGIBXPYQEOYUSF-UHFFFAOYSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000301103925 178161446 /nfs/dbraw/zinc/16/14/46/178161446.db2.gz OYDPTTUYYWFYBS-LLVKDONJSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)nc(C)[nH+]1 ZINC000301103925 178161448 /nfs/dbraw/zinc/16/14/48/178161448.db2.gz OYDPTTUYYWFYBS-LLVKDONJSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000291965815 178165145 /nfs/dbraw/zinc/16/51/45/178165145.db2.gz VPJDVXSOPMWJMV-SNVBAGLBSA-N 2 2 248.374 2.272 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(F)(F)CC1 ZINC000647166764 398212616 /nfs/dbraw/zinc/21/26/16/398212616.db2.gz CORIQBBCYGETEP-UHFFFAOYSA-N 2 2 234.334 2.494 20 0 BEADLP Cc1cc(NC[C@H](C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265376187 178168808 /nfs/dbraw/zinc/16/88/08/178168808.db2.gz PVNCVWPZIBQRFM-JTQLQIEISA-N 2 2 234.347 2.024 20 0 BEADLP Cc1cc(NC[C@H]2CCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000133618931 178169970 /nfs/dbraw/zinc/16/99/70/178169970.db2.gz IHRVSUHDNUXEMU-GFCCVEGCSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1cc(NC[C@H]2CCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000133618931 178169971 /nfs/dbraw/zinc/16/99/71/178169971.db2.gz IHRVSUHDNUXEMU-GFCCVEGCSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)cc[nH+]1 ZINC000229565064 178179216 /nfs/dbraw/zinc/17/92/16/178179216.db2.gz IYFOBJGUIJANDE-NSHDSACASA-N 2 2 216.288 2.087 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000334184627 136224169 /nfs/dbraw/zinc/22/41/69/136224169.db2.gz BZDSRCJLGOKAQZ-NSHDSACASA-N 2 2 247.367 2.358 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)o1 ZINC000235188542 178226681 /nfs/dbraw/zinc/22/66/81/178226681.db2.gz PCQJZLQDPRIEOE-PWSUYJOCSA-N 2 2 222.332 2.299 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)[C@@H]1C ZINC000381227282 398236232 /nfs/dbraw/zinc/23/62/32/398236232.db2.gz KDERKWIDSKNLRA-OXHZDVMGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H]1C ZINC000381227282 398236236 /nfs/dbraw/zinc/23/62/36/398236236.db2.gz KDERKWIDSKNLRA-OXHZDVMGSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)no1 ZINC000337552938 178253557 /nfs/dbraw/zinc/25/35/57/178253557.db2.gz PNPHGQJGMMXWJP-ADEWGFFLSA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)no1 ZINC000337552938 178253558 /nfs/dbraw/zinc/25/35/58/178253558.db2.gz PNPHGQJGMMXWJP-ADEWGFFLSA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)no1 ZINC000340472623 178245288 /nfs/dbraw/zinc/24/52/88/178245288.db2.gz IEKBESJADIQBJN-NSHDSACASA-N 2 2 239.363 2.221 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1C ZINC000336700426 398239879 /nfs/dbraw/zinc/23/98/79/398239879.db2.gz PIEMSMFBPADAIQ-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1[nH+]c2cc(C3=CC[NH2+]CC3)ccc2n1C ZINC000649443657 398245276 /nfs/dbraw/zinc/24/52/76/398245276.db2.gz GBNSGWWFCHFULS-UHFFFAOYSA-N 2 2 227.311 2.258 20 0 BEADLP CCC(CC)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000035275244 168363810 /nfs/dbraw/zinc/36/38/10/168363810.db2.gz YNSPISKNZRMHJU-LLVKDONJSA-N 2 2 209.337 2.297 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473246 136229025 /nfs/dbraw/zinc/22/90/25/136229025.db2.gz MXXKVFVNVVRDGN-GXTWGEPZSA-N 2 2 216.328 2.016 20 0 BEADLP c1cn(CC[N@@H+]2CCC3(CCCC3)C2)c[nH+]1 ZINC000162077802 349558730 /nfs/dbraw/zinc/55/87/30/349558730.db2.gz NUIYYFDRBKWWQM-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP c1cn(CC[N@H+]2CCC3(CCCC3)C2)c[nH+]1 ZINC000162077802 349558731 /nfs/dbraw/zinc/55/87/31/349558731.db2.gz NUIYYFDRBKWWQM-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP CO[C@@H](c1ccc(-c2[nH+]ccn2C)cc1)[C@@H](C)[NH3+] ZINC000630052939 361922167 /nfs/dbraw/zinc/92/21/67/361922167.db2.gz NRLNCKAMTWUVDY-ZWNOBZJWSA-N 2 2 245.326 2.122 20 0 BEADLP CC(C)C([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000380276213 538988661 /nfs/dbraw/zinc/98/86/61/538988661.db2.gz XSOWFZCZSLBJJV-VXGBXAGGSA-N 2 2 212.381 2.207 20 0 BEADLP CC(C)C([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000380276213 538988662 /nfs/dbraw/zinc/98/86/62/538988662.db2.gz XSOWFZCZSLBJJV-VXGBXAGGSA-N 2 2 212.381 2.207 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000381472255 539001488 /nfs/dbraw/zinc/00/14/88/539001488.db2.gz NDEBTCLTUNYTES-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000381472255 539001490 /nfs/dbraw/zinc/00/14/90/539001490.db2.gz NDEBTCLTUNYTES-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000381479850 539001569 /nfs/dbraw/zinc/00/15/69/539001569.db2.gz SGCRXECDIMOWTJ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000381479850 539001571 /nfs/dbraw/zinc/00/15/71/539001571.db2.gz SGCRXECDIMOWTJ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)s1 ZINC000313279366 259322813 /nfs/dbraw/zinc/32/28/13/259322813.db2.gz CQEFXPGIRXQWRP-UHFFFAOYSA-N 2 2 235.356 2.122 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381419586 539000174 /nfs/dbraw/zinc/00/01/74/539000174.db2.gz WWZRDGNWYFIDPF-MGPQQGTHSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419586 539000176 /nfs/dbraw/zinc/00/01/76/539000176.db2.gz WWZRDGNWYFIDPF-MGPQQGTHSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)C)C1CC1 ZINC000390469231 539022000 /nfs/dbraw/zinc/02/20/00/539022000.db2.gz IQDCEZDQGRNBBW-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)C)C1CC1 ZINC000390469231 539022001 /nfs/dbraw/zinc/02/20/01/539022001.db2.gz IQDCEZDQGRNBBW-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248050785 323015694 /nfs/dbraw/zinc/01/56/94/323015694.db2.gz WERYJVRWQPCVCZ-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248050785 323015695 /nfs/dbraw/zinc/01/56/95/323015695.db2.gz WERYJVRWQPCVCZ-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000041042078 398317837 /nfs/dbraw/zinc/31/78/37/398317837.db2.gz LOOHDCKTDQLJLB-JTQLQIEISA-N 2 2 221.329 2.295 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1 ZINC000035275260 342886886 /nfs/dbraw/zinc/88/68/86/342886886.db2.gz PPXMMCPKQKEIJY-SNVBAGLBSA-N 2 2 221.329 2.123 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000380231295 346880962 /nfs/dbraw/zinc/88/09/62/346880962.db2.gz LNKMNCJFOGJABN-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000380231295 346880963 /nfs/dbraw/zinc/88/09/63/346880963.db2.gz LNKMNCJFOGJABN-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000380231301 346881140 /nfs/dbraw/zinc/88/11/40/346881140.db2.gz LNKMNCJFOGJABN-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000380231301 346881142 /nfs/dbraw/zinc/88/11/42/346881142.db2.gz LNKMNCJFOGJABN-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP COC(C)(C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000174596985 398330831 /nfs/dbraw/zinc/33/08/31/398330831.db2.gz CLJXENUJKHFFHW-UHFFFAOYSA-N 2 2 247.342 2.157 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037487145 342938750 /nfs/dbraw/zinc/93/87/50/342938750.db2.gz CEERHJPGXHNADP-UHFFFAOYSA-N 2 2 228.723 2.117 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313272862 259332543 /nfs/dbraw/zinc/33/25/43/259332543.db2.gz RTWCYFAREBWSAN-OLZOCXBDSA-N 2 2 235.375 2.379 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313272864 259332739 /nfs/dbraw/zinc/33/27/39/259332739.db2.gz RTWCYFAREBWSAN-QWHCGFSZSA-N 2 2 235.375 2.379 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]C(C)C)cn21 ZINC000647363906 398343400 /nfs/dbraw/zinc/34/34/00/398343400.db2.gz NDWZVOUXFASLKX-UHFFFAOYSA-N 2 2 217.316 2.183 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1F ZINC000313270669 259332825 /nfs/dbraw/zinc/33/28/25/259332825.db2.gz BQSJOKFYIJGDEU-LLVKDONJSA-N 2 2 247.317 2.453 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313272865 259332853 /nfs/dbraw/zinc/33/28/53/259332853.db2.gz RTWCYFAREBWSAN-STQMWFEESA-N 2 2 235.375 2.379 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000576814643 365691248 /nfs/dbraw/zinc/69/12/48/365691248.db2.gz IQZKJRNCYSLXJY-BDAKNGLRSA-N 2 2 239.388 2.236 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000494394286 529658152 /nfs/dbraw/zinc/65/81/52/529658152.db2.gz UWXQNXWAVDCVSW-NSHDSACASA-N 2 2 245.326 2.143 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000580034214 343065623 /nfs/dbraw/zinc/06/56/23/343065623.db2.gz DIIIJFODYKIJPX-STQMWFEESA-N 2 2 236.359 2.142 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000580034214 343065625 /nfs/dbraw/zinc/06/56/25/343065625.db2.gz DIIIJFODYKIJPX-STQMWFEESA-N 2 2 236.359 2.142 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000580034212 343065682 /nfs/dbraw/zinc/06/56/82/343065682.db2.gz DIIIJFODYKIJPX-OLZOCXBDSA-N 2 2 236.359 2.142 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000580034212 343065684 /nfs/dbraw/zinc/06/56/84/343065684.db2.gz DIIIJFODYKIJPX-OLZOCXBDSA-N 2 2 236.359 2.142 20 0 BEADLP C1=CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044685256 187231822 /nfs/dbraw/zinc/23/18/22/187231822.db2.gz AKXNTNSTZZZTIM-QWHCGFSZSA-N 2 2 220.360 2.169 20 0 BEADLP C1=CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044685256 187231824 /nfs/dbraw/zinc/23/18/24/187231824.db2.gz AKXNTNSTZZZTIM-QWHCGFSZSA-N 2 2 220.360 2.169 20 0 BEADLP c1ccc2[nH+]c(NCC[N@H+]3CC=CCC3)[nH]c2c1 ZINC000280254310 187240685 /nfs/dbraw/zinc/24/06/85/187240685.db2.gz NLIFLDDGWAPUNK-UHFFFAOYSA-N 2 2 242.326 2.237 20 0 BEADLP c1ccc2[nH+]c(NCC[N@@H+]3CC=CCC3)[nH]c2c1 ZINC000280254310 187240687 /nfs/dbraw/zinc/24/06/87/187240687.db2.gz NLIFLDDGWAPUNK-UHFFFAOYSA-N 2 2 242.326 2.237 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000092348388 343147752 /nfs/dbraw/zinc/14/77/52/343147752.db2.gz CGDKQAZMCLKHLE-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccnc2ccccc12 ZINC000092348388 343147755 /nfs/dbraw/zinc/14/77/55/343147755.db2.gz CGDKQAZMCLKHLE-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000094279426 343155570 /nfs/dbraw/zinc/15/55/70/343155570.db2.gz JNLLXSDYAXECEF-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000094279426 343155572 /nfs/dbraw/zinc/15/55/72/343155572.db2.gz JNLLXSDYAXECEF-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000054081026 488205599 /nfs/dbraw/zinc/20/55/99/488205599.db2.gz AVEFNHANCQKSSL-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081026 488205604 /nfs/dbraw/zinc/20/56/04/488205604.db2.gz AVEFNHANCQKSSL-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000054081028 488205729 /nfs/dbraw/zinc/20/57/29/488205729.db2.gz AVEFNHANCQKSSL-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081028 488205733 /nfs/dbraw/zinc/20/57/33/488205733.db2.gz AVEFNHANCQKSSL-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000310024241 343214819 /nfs/dbraw/zinc/21/48/19/343214819.db2.gz ONCHHAKUDJMKCP-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000310024238 343214965 /nfs/dbraw/zinc/21/49/65/343214965.db2.gz ONCHHAKUDJMKCP-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP CCCC[C@@H](CC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000068986853 343254205 /nfs/dbraw/zinc/25/42/05/343254205.db2.gz IUQJSBFZTBICDZ-VXGBXAGGSA-N 2 2 200.370 2.495 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634687754 343241752 /nfs/dbraw/zinc/24/17/52/343241752.db2.gz YITPCCJMWVACNA-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687754 343241754 /nfs/dbraw/zinc/24/17/54/343241754.db2.gz YITPCCJMWVACNA-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2ncccc12 ZINC000634688102 343247713 /nfs/dbraw/zinc/24/77/13/343247713.db2.gz IGQQFJPWYUEWQE-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc2ncccc12 ZINC000634688102 343247716 /nfs/dbraw/zinc/24/77/16/343247716.db2.gz IGQQFJPWYUEWQE-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000335615368 136296371 /nfs/dbraw/zinc/29/63/71/136296371.db2.gz ACZNJSHOBUYXIK-MWLCHTKSSA-N 2 2 239.388 2.244 20 0 BEADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000335616449 136296560 /nfs/dbraw/zinc/29/65/60/136296560.db2.gz HCAKSEXOCRZIQW-GXTWGEPZSA-N 2 2 218.344 2.316 20 0 BEADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000353931000 136297758 /nfs/dbraw/zinc/29/77/58/136297758.db2.gz PTDIJIUBZURNPQ-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC1(C)CC1 ZINC000584064877 343312564 /nfs/dbraw/zinc/31/25/64/343312564.db2.gz PVPBQTPZQOTLOC-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000335635032 136300561 /nfs/dbraw/zinc/30/05/61/136300561.db2.gz IHRFYHUKGCXUKJ-KCJUWKMLSA-N 2 2 244.791 2.489 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037158344 343337261 /nfs/dbraw/zinc/33/72/61/343337261.db2.gz ROQMYRJVESLELF-STQMWFEESA-N 2 2 247.342 2.476 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1sccc1Cl ZINC000335638526 136303146 /nfs/dbraw/zinc/30/31/46/136303146.db2.gz SYKPBVSULXUFDC-SCZZXKLOSA-N 2 2 244.791 2.489 20 0 BEADLP c1c2ccccc2sc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335643245 136303454 /nfs/dbraw/zinc/30/34/54/136303454.db2.gz NQUDTDMUMVPMLS-NSHDSACASA-N 2 2 232.352 2.353 20 0 BEADLP CCCc1[nH+]ccn1CC[NH+](CC)CC ZINC000070424152 187258724 /nfs/dbraw/zinc/25/87/24/187258724.db2.gz LLUITZJENSYIAZ-UHFFFAOYSA-N 2 2 209.337 2.177 20 0 BEADLP Fc1ccccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335643002 136308810 /nfs/dbraw/zinc/30/88/10/136308810.db2.gz LIBSJEBFOVYJNU-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP C[C@@H](C[NH2+][C@H](C)C[NH+](C)C)Cc1ccccc1 ZINC000349011723 136311200 /nfs/dbraw/zinc/31/12/00/136311200.db2.gz SFPZAVNQYYXHQZ-ZIAGYGMSSA-N 2 2 234.387 2.405 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000349011722 136311237 /nfs/dbraw/zinc/31/12/37/136311237.db2.gz SFPZAVNQYYXHQZ-UONOGXRCSA-N 2 2 234.387 2.405 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000040624137 343407215 /nfs/dbraw/zinc/40/72/15/343407215.db2.gz YACYDBUGRRMHHN-LBPRGKRZSA-N 2 2 219.332 2.224 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000040624137 343407217 /nfs/dbraw/zinc/40/72/17/343407217.db2.gz YACYDBUGRRMHHN-LBPRGKRZSA-N 2 2 219.332 2.224 20 0 BEADLP CCOc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063287 343414781 /nfs/dbraw/zinc/41/47/81/343414781.db2.gz LDYMLSVBXVQPSW-UHFFFAOYSA-N 2 2 245.326 2.072 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@H](C)[C@@H](O)C2)c[nH+]1 ZINC000349354835 136342888 /nfs/dbraw/zinc/34/28/88/136342888.db2.gz UBTKDBFPNNNKJA-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@@H](O)C2)c[nH+]1 ZINC000349354835 136342889 /nfs/dbraw/zinc/34/28/89/136342889.db2.gz UBTKDBFPNNNKJA-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)nc1 ZINC000349388369 136344202 /nfs/dbraw/zinc/34/42/02/136344202.db2.gz YSMIWQWHOCSSQI-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)nc1 ZINC000349388369 136344203 /nfs/dbraw/zinc/34/42/03/136344203.db2.gz YSMIWQWHOCSSQI-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349420131 136345430 /nfs/dbraw/zinc/34/54/30/136345430.db2.gz QHRCBLUQIWKNQP-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000349420131 136345431 /nfs/dbraw/zinc/34/54/31/136345431.db2.gz QHRCBLUQIWKNQP-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000082594773 343450783 /nfs/dbraw/zinc/45/07/83/343450783.db2.gz MLDRADHKZFNQMA-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000082594773 343450784 /nfs/dbraw/zinc/45/07/84/343450784.db2.gz MLDRADHKZFNQMA-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCCCC1 ZINC000130216978 136372694 /nfs/dbraw/zinc/37/26/94/136372694.db2.gz GPTOJWYZJHRPEM-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000042545786 343442760 /nfs/dbraw/zinc/44/27/60/343442760.db2.gz DCLJEIVFQVRKKP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000042545786 343442763 /nfs/dbraw/zinc/44/27/63/343442763.db2.gz DCLJEIVFQVRKKP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000042543887 343443266 /nfs/dbraw/zinc/44/32/66/343443266.db2.gz QLTGJGXKKXMTST-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000042543887 343443268 /nfs/dbraw/zinc/44/32/68/343443268.db2.gz QLTGJGXKKXMTST-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1CNc1cc(C)cc[nH+]1 ZINC000043561430 343477633 /nfs/dbraw/zinc/47/76/33/343477633.db2.gz DIYSCTZCPUOLDC-GFCCVEGCSA-N 2 2 219.332 2.286 20 0 BEADLP CC[N@H+]1CCC[C@@H]1CNc1cc(C)cc[nH+]1 ZINC000043561430 343477635 /nfs/dbraw/zinc/47/76/35/343477635.db2.gz DIYSCTZCPUOLDC-GFCCVEGCSA-N 2 2 219.332 2.286 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324975 343468260 /nfs/dbraw/zinc/46/82/60/343468260.db2.gz XDASWPIDMKGUAP-NXEZZACHSA-N 2 2 210.346 2.151 20 0 BEADLP COCCCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000227278459 343469355 /nfs/dbraw/zinc/46/93/55/343469355.db2.gz BBVDEFASVTWNDU-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP COCCCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000227278459 343469358 /nfs/dbraw/zinc/46/93/58/343469358.db2.gz BBVDEFASVTWNDU-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)C(C)C)C1 ZINC000379948015 365759914 /nfs/dbraw/zinc/75/99/14/365759914.db2.gz RRSAXNBVTYVVSY-RWMBFGLXSA-N 2 2 212.381 2.208 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)C(C)C)C1 ZINC000379948015 365759918 /nfs/dbraw/zinc/75/99/18/365759918.db2.gz RRSAXNBVTYVVSY-RWMBFGLXSA-N 2 2 212.381 2.208 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574643 343603363 /nfs/dbraw/zinc/60/33/63/343603363.db2.gz FVEOGRVZVMUETE-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP C([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000623727768 343647679 /nfs/dbraw/zinc/64/76/79/343647679.db2.gz NDJKVLAUXSLJBC-ZDUSSCGKSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000623727768 343647681 /nfs/dbraw/zinc/64/76/81/343647681.db2.gz NDJKVLAUXSLJBC-ZDUSSCGKSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000623727767 343647856 /nfs/dbraw/zinc/64/78/56/343647856.db2.gz NDJKVLAUXSLJBC-CYBMUJFWSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000623727767 343647859 /nfs/dbraw/zinc/64/78/59/343647859.db2.gz NDJKVLAUXSLJBC-CYBMUJFWSA-N 2 2 208.349 2.003 20 0 BEADLP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C(C)C ZINC000053651589 346954541 /nfs/dbraw/zinc/95/45/41/346954541.db2.gz SQFMJIBZTNVYKD-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C(C)C ZINC000053651589 346954545 /nfs/dbraw/zinc/95/45/45/346954545.db2.gz SQFMJIBZTNVYKD-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434552 343735203 /nfs/dbraw/zinc/73/52/03/343735203.db2.gz AMHICCJQEYDKBI-UHFFFAOYSA-N 2 2 207.321 2.204 20 0 BEADLP CC(C)(C)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434552 343735205 /nfs/dbraw/zinc/73/52/05/343735205.db2.gz AMHICCJQEYDKBI-UHFFFAOYSA-N 2 2 207.321 2.204 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434121 343735296 /nfs/dbraw/zinc/73/52/96/343735296.db2.gz FCPRYMDTVOEYSK-VIFPVBQESA-N 2 2 243.301 2.449 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434121 343735298 /nfs/dbraw/zinc/73/52/98/343735298.db2.gz FCPRYMDTVOEYSK-VIFPVBQESA-N 2 2 243.301 2.449 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)CC)C1CCCC1 ZINC000387627452 346969186 /nfs/dbraw/zinc/96/91/86/346969186.db2.gz DMJBUCCXMFJTCQ-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)CC)C1CCCC1 ZINC000387627452 346969188 /nfs/dbraw/zinc/96/91/88/346969188.db2.gz DMJBUCCXMFJTCQ-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000235213327 187274076 /nfs/dbraw/zinc/27/40/76/187274076.db2.gz ARICLCQGZDSLTI-ZWNOBZJWSA-N 2 2 222.307 2.228 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336653686 537818738 /nfs/dbraw/zinc/81/87/38/537818738.db2.gz GGQKTSQUXLFGTH-UPJWGTAASA-N 2 2 221.348 2.296 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CC1(C)CCC1 ZINC000336747080 537835773 /nfs/dbraw/zinc/83/57/73/537835773.db2.gz BRHYCLZYLPXHAB-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CC1(C)CCC1 ZINC000336747080 537835785 /nfs/dbraw/zinc/83/57/85/537835785.db2.gz BRHYCLZYLPXHAB-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221319947 259372147 /nfs/dbraw/zinc/37/21/47/259372147.db2.gz QZNGXRRABPXGNM-TUAOUCFPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221319947 259372149 /nfs/dbraw/zinc/37/21/49/259372149.db2.gz QZNGXRRABPXGNM-TUAOUCFPSA-N 2 2 210.365 2.247 20 0 BEADLP CCc1cc(N[C@H](C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000396471504 347025433 /nfs/dbraw/zinc/02/54/33/347025433.db2.gz TZIMPEICVCJSSH-LLVKDONJSA-N 2 2 248.374 2.181 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000095068359 187286658 /nfs/dbraw/zinc/28/66/58/187286658.db2.gz BNRABSUPQIDUSU-NXEZZACHSA-N 2 2 210.346 2.151 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000054111329 187358719 /nfs/dbraw/zinc/35/87/19/187358719.db2.gz OUEDCJMRHUAFHM-MRXNPFEDSA-N 2 2 246.398 2.474 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000054111329 187358720 /nfs/dbraw/zinc/35/87/20/187358720.db2.gz OUEDCJMRHUAFHM-MRXNPFEDSA-N 2 2 246.398 2.474 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336763878 537844352 /nfs/dbraw/zinc/84/43/52/537844352.db2.gz MOQAESYUASAZER-RDBSUJKOSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336763878 537844361 /nfs/dbraw/zinc/84/43/61/537844361.db2.gz MOQAESYUASAZER-RDBSUJKOSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000084221698 344321062 /nfs/dbraw/zinc/32/10/62/344321062.db2.gz HIMFLNDJATVPDK-UMVBOHGHSA-N 2 2 248.345 2.428 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2cccnc21 ZINC000385100197 344326429 /nfs/dbraw/zinc/32/64/29/344326429.db2.gz PCPBCOFNHSRUFR-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000385100197 344326431 /nfs/dbraw/zinc/32/64/31/344326431.db2.gz PCPBCOFNHSRUFR-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2CCC2)C[N@@H+]1C1CC1 ZINC000132864184 344309747 /nfs/dbraw/zinc/30/97/47/344309747.db2.gz ONENFHJQTVEEIY-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2CCC2)C[N@H+]1C1CC1 ZINC000132864184 344309749 /nfs/dbraw/zinc/30/97/49/344309749.db2.gz ONENFHJQTVEEIY-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000385215355 344377272 /nfs/dbraw/zinc/37/72/72/344377272.db2.gz ZKHQIIHGFKFPFH-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000385215355 344377274 /nfs/dbraw/zinc/37/72/74/344377274.db2.gz ZKHQIIHGFKFPFH-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1F ZINC000215645640 344391992 /nfs/dbraw/zinc/39/19/92/344391992.db2.gz IUIATOGHJVVIFP-NSHDSACASA-N 2 2 236.334 2.055 20 0 BEADLP CCc1cc(N[C@H]2CC[NH2+]CC(C)(C)C2)nc[nH+]1 ZINC000634813836 344399185 /nfs/dbraw/zinc/39/91/85/344399185.db2.gz ZDWSGAJLHSGOPQ-LBPRGKRZSA-N 2 2 248.374 2.229 20 0 BEADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]cc1F ZINC000641453011 362427339 /nfs/dbraw/zinc/42/73/39/362427339.db2.gz OGZKGJFBTFGCAF-UHFFFAOYSA-N 2 2 248.305 2.252 20 0 BEADLP C[NH+](C)C1CN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC000641465661 362439253 /nfs/dbraw/zinc/43/92/53/362439253.db2.gz IAMQFCRRQZYBMN-UHFFFAOYSA-N 2 2 233.359 2.129 20 0 BEADLP C[C@@H](c1cccs1)[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000227649123 344714081 /nfs/dbraw/zinc/71/40/81/344714081.db2.gz OCDCTKMOISDFDX-WDEREUQCSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000227649123 344714083 /nfs/dbraw/zinc/71/40/83/344714083.db2.gz OCDCTKMOISDFDX-WDEREUQCSA-N 2 2 224.373 2.493 20 0 BEADLP Cc1[nH+]ccn1CCCCNc1cccc[nH+]1 ZINC000078336322 344848681 /nfs/dbraw/zinc/84/86/81/344848681.db2.gz HZYKSCXWTWUTSJ-UHFFFAOYSA-N 2 2 230.315 2.479 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000120412513 344890198 /nfs/dbraw/zinc/89/01/98/344890198.db2.gz FVSIBDVZHCAFPN-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000120412513 344890200 /nfs/dbraw/zinc/89/02/00/344890200.db2.gz FVSIBDVZHCAFPN-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2occc2C)CC1 ZINC000126486356 345121675 /nfs/dbraw/zinc/12/16/75/345121675.db2.gz WKBSTDIYOSFWLP-UHFFFAOYSA-N 2 2 222.332 2.162 20 0 BEADLP Fc1c[nH+]ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000641631918 362562746 /nfs/dbraw/zinc/56/27/46/362562746.db2.gz YIHJMGKMHUJERD-UHFFFAOYSA-N 2 2 249.333 2.071 20 0 BEADLP c1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCC2)cc1 ZINC000634993365 345189793 /nfs/dbraw/zinc/18/97/93/345189793.db2.gz RUYUJXYDWJKMTL-UHFFFAOYSA-N 2 2 242.366 2.407 20 0 BEADLP C[C@@H]1CCC[C@H]([N@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991399 345176966 /nfs/dbraw/zinc/17/69/66/345176966.db2.gz CEISFOVFJKZGMU-ZIHBUVQPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]([N@@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991399 345176968 /nfs/dbraw/zinc/17/69/68/345176968.db2.gz CEISFOVFJKZGMU-ZIHBUVQPSA-N 2 2 222.376 2.249 20 0 BEADLP CCc1ccc(C[N@H+](C)CC23CC(C2)C[NH2+]3)cc1 ZINC000634991696 345178466 /nfs/dbraw/zinc/17/84/66/345178466.db2.gz OHWDQTTURQVCQB-UHFFFAOYSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@@H+](C)CC23CC(C2)C[NH2+]3)cc1 ZINC000634991696 345178470 /nfs/dbraw/zinc/17/84/70/345178470.db2.gz OHWDQTTURQVCQB-UHFFFAOYSA-N 2 2 244.382 2.433 20 0 BEADLP C[N@H+](Cc1cccc(F)c1)CC12CC(C1)C[NH2+]2 ZINC000634991839 345179087 /nfs/dbraw/zinc/17/90/87/345179087.db2.gz TVWDAGYAOXBIPP-UHFFFAOYSA-N 2 2 234.318 2.010 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1)CC12CC(C1)C[NH2+]2 ZINC000634991839 345179091 /nfs/dbraw/zinc/17/90/91/345179091.db2.gz TVWDAGYAOXBIPP-UHFFFAOYSA-N 2 2 234.318 2.010 20 0 BEADLP c1csc(C[N@H+](CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000634991827 345179227 /nfs/dbraw/zinc/17/92/27/345179227.db2.gz SMRCQAQCEFKZGD-UHFFFAOYSA-N 2 2 248.395 2.465 20 0 BEADLP c1csc(C[N@@H+](CC23CC(C2)C[NH2+]3)C2CC2)c1 ZINC000634991827 345179228 /nfs/dbraw/zinc/17/92/28/345179228.db2.gz SMRCQAQCEFKZGD-UHFFFAOYSA-N 2 2 248.395 2.465 20 0 BEADLP CC(C)[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993476 345190641 /nfs/dbraw/zinc/19/06/41/345190641.db2.gz VZBQWAPBFHCTOJ-SLTAFYQDSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993476 345190642 /nfs/dbraw/zinc/19/06/42/345190642.db2.gz VZBQWAPBFHCTOJ-SLTAFYQDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995126 345183706 /nfs/dbraw/zinc/18/37/06/345183706.db2.gz VTSQCCWARUBCEU-VKAADOFISA-N 2 2 248.292 2.011 20 0 BEADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995126 345183711 /nfs/dbraw/zinc/18/37/11/345183711.db2.gz VTSQCCWARUBCEU-VKAADOFISA-N 2 2 248.292 2.011 20 0 BEADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995127 345183726 /nfs/dbraw/zinc/18/37/26/345183726.db2.gz VTSQCCWARUBCEU-XEAZBWPWSA-N 2 2 248.292 2.011 20 0 BEADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995127 345183728 /nfs/dbraw/zinc/18/37/28/345183728.db2.gz VTSQCCWARUBCEU-XEAZBWPWSA-N 2 2 248.292 2.011 20 0 BEADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccon1)C(C)(C)C ZINC000634962396 345136346 /nfs/dbraw/zinc/13/63/46/345136346.db2.gz SCBSYXJUJAQPGY-LBPRGKRZSA-N 2 2 239.363 2.131 20 0 BEADLP C/C=C/C[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997046 345194001 /nfs/dbraw/zinc/19/40/01/345194001.db2.gz BOHQHWUXFLHQOD-PAJGUDDTSA-N 2 2 234.387 2.417 20 0 BEADLP C/C=C/C[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997046 345194002 /nfs/dbraw/zinc/19/40/02/345194002.db2.gz BOHQHWUXFLHQOD-PAJGUDDTSA-N 2 2 234.387 2.417 20 0 BEADLP C[NH2+]c1ccc(NC[C@@H](C[NH3+])C(C)C)cc1 ZINC000634997511 345196340 /nfs/dbraw/zinc/19/63/40/345196340.db2.gz NEJWOVHAPHSIOM-LLVKDONJSA-N 2 2 221.348 2.371 20 0 BEADLP CNc1ccc([NH2+]C[C@@H](C[NH3+])C(C)C)cc1 ZINC000634997511 345196342 /nfs/dbraw/zinc/19/63/42/345196342.db2.gz NEJWOVHAPHSIOM-LLVKDONJSA-N 2 2 221.348 2.371 20 0 BEADLP C[NH2+]c1ccc(NC[C@H](C[NH3+])C(C)C)cc1 ZINC000634997512 345196568 /nfs/dbraw/zinc/19/65/68/345196568.db2.gz NEJWOVHAPHSIOM-NSHDSACASA-N 2 2 221.348 2.371 20 0 BEADLP CNc1ccc([NH2+]C[C@H](C[NH3+])C(C)C)cc1 ZINC000634997512 345196570 /nfs/dbraw/zinc/19/65/70/345196570.db2.gz NEJWOVHAPHSIOM-NSHDSACASA-N 2 2 221.348 2.371 20 0 BEADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)F ZINC000635003412 345206178 /nfs/dbraw/zinc/20/61/78/345206178.db2.gz JGSIOUZARXKVKH-WCQYABFASA-N 2 2 238.350 2.283 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000635006384 345210516 /nfs/dbraw/zinc/21/05/16/345210516.db2.gz MIZMFEXBYKPZIC-WCABBAIRSA-N 2 2 239.388 2.243 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635011780 345213327 /nfs/dbraw/zinc/21/33/27/345213327.db2.gz HMUCSGKBWKLUAE-NHYWBVRUSA-N 2 2 243.354 2.256 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368097864 345216890 /nfs/dbraw/zinc/21/68/90/345216890.db2.gz AATLVHJBATZHBS-GHMZBOCLSA-N 2 2 221.348 2.435 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368097864 345216892 /nfs/dbraw/zinc/21/68/92/345216892.db2.gz AATLVHJBATZHBS-GHMZBOCLSA-N 2 2 221.348 2.435 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000635019591 345222857 /nfs/dbraw/zinc/22/28/57/345222857.db2.gz ISGNHRGCXCJCHB-STQMWFEESA-N 2 2 242.407 2.169 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000132203558 345321549 /nfs/dbraw/zinc/32/15/49/345321549.db2.gz CRMQVBJOYAGLCM-JTQLQIEISA-N 2 2 239.388 2.278 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336682862 187306624 /nfs/dbraw/zinc/30/66/24/187306624.db2.gz SCRKBPJULJUBNY-GHMZBOCLSA-N 2 2 221.348 2.291 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336682862 187306626 /nfs/dbraw/zinc/30/66/26/187306626.db2.gz SCRKBPJULJUBNY-GHMZBOCLSA-N 2 2 221.348 2.291 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090048106 345563436 /nfs/dbraw/zinc/56/34/36/345563436.db2.gz QCWWHPIPHHMPFY-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000446784731 537900931 /nfs/dbraw/zinc/90/09/31/537900931.db2.gz IWHZAOCGIKVAIZ-NSHDSACASA-N 2 2 237.347 2.014 20 0 BEADLP c1coc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073200 345615655 /nfs/dbraw/zinc/61/56/55/345615655.db2.gz WZRINPNKDZSSGT-NSHDSACASA-N 2 2 231.299 2.382 20 0 BEADLP c1coc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073200 345615659 /nfs/dbraw/zinc/61/56/59/345615659.db2.gz WZRINPNKDZSSGT-NSHDSACASA-N 2 2 231.299 2.382 20 0 BEADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1cccnc1 ZINC000091264080 345590602 /nfs/dbraw/zinc/59/06/02/345590602.db2.gz OISAIVIGZBVPBO-AWEZNQCLSA-N 2 2 244.342 2.265 20 0 BEADLP Fc1c[nH+]ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000641677687 362599739 /nfs/dbraw/zinc/59/97/39/362599739.db2.gz CJZFYMVSZRNBOD-GFCCVEGCSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000641677687 362599744 /nfs/dbraw/zinc/59/97/44/362599744.db2.gz CJZFYMVSZRNBOD-GFCCVEGCSA-N 2 2 249.333 2.071 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000070643847 345793923 /nfs/dbraw/zinc/79/39/23/345793923.db2.gz JHPFTLZSKUWDOU-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166878500 345925375 /nfs/dbraw/zinc/92/53/75/345925375.db2.gz LEHTWAWSCUCLHB-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166878500 345925377 /nfs/dbraw/zinc/92/53/77/345925377.db2.gz LEHTWAWSCUCLHB-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]CC1CCCCC1 ZINC000020126780 187315147 /nfs/dbraw/zinc/31/51/47/187315147.db2.gz QGBUXUMISNANLD-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151070558 537941473 /nfs/dbraw/zinc/94/14/73/537941473.db2.gz HAIOLGUUXSNHPD-RISCZKNCSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ncccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151070558 537941476 /nfs/dbraw/zinc/94/14/76/537941476.db2.gz HAIOLGUUXSNHPD-RISCZKNCSA-N 2 2 245.370 2.105 20 0 BEADLP COCC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440751261 537950954 /nfs/dbraw/zinc/95/09/54/537950954.db2.gz BDOJDVSDWSUZSG-NWDGAFQWSA-N 2 2 237.347 2.014 20 0 BEADLP COCC[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440751261 537950961 /nfs/dbraw/zinc/95/09/61/537950961.db2.gz BDOJDVSDWSUZSG-NWDGAFQWSA-N 2 2 237.347 2.014 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCCC12CCC2 ZINC000394767640 323108427 /nfs/dbraw/zinc/10/84/27/323108427.db2.gz RFKZLRXGNDPRKY-ZDUSSCGKSA-N 2 2 222.376 2.395 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000090320183 537956457 /nfs/dbraw/zinc/95/64/57/537956457.db2.gz ZUGDNDALWTXABJ-NMKXLXIOSA-N 2 2 246.354 2.054 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000090320183 537956463 /nfs/dbraw/zinc/95/64/63/537956463.db2.gz ZUGDNDALWTXABJ-NMKXLXIOSA-N 2 2 246.354 2.054 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628233530 346192705 /nfs/dbraw/zinc/19/27/05/346192705.db2.gz IIQDENRJFHLRGQ-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628233530 346192707 /nfs/dbraw/zinc/19/27/07/346192707.db2.gz IIQDENRJFHLRGQ-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335299510 179035202 /nfs/dbraw/zinc/03/52/02/179035202.db2.gz KJKMIDQMKXPXPP-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335299510 179035205 /nfs/dbraw/zinc/03/52/05/179035205.db2.gz KJKMIDQMKXPXPP-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020126819 259388818 /nfs/dbraw/zinc/38/88/18/259388818.db2.gz CPSJEIXHAGPTQR-ZDUSSCGKSA-N 2 2 248.370 2.442 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000221159735 187320038 /nfs/dbraw/zinc/32/00/38/187320038.db2.gz ZALNNUGRMKVDHJ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000221159735 187320040 /nfs/dbraw/zinc/32/00/40/187320040.db2.gz ZALNNUGRMKVDHJ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000352505195 179046748 /nfs/dbraw/zinc/04/67/48/179046748.db2.gz YUBLBFTVGWVBSB-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000352505195 179046750 /nfs/dbraw/zinc/04/67/50/179046750.db2.gz YUBLBFTVGWVBSB-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000574924518 346414152 /nfs/dbraw/zinc/41/41/52/346414152.db2.gz SBKYTTWXPUCQSH-STQMWFEESA-N 2 2 231.343 2.318 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000574924518 346414156 /nfs/dbraw/zinc/41/41/56/346414156.db2.gz SBKYTTWXPUCQSH-STQMWFEESA-N 2 2 231.343 2.318 20 0 BEADLP C[N@H+](Cc1nsc2ccccc21)C1CC([NH3+])C1 ZINC000641799970 362745412 /nfs/dbraw/zinc/74/54/12/362745412.db2.gz UJFCOXOBQPUGON-UHFFFAOYSA-N 2 2 247.367 2.218 20 0 BEADLP C[N@@H+](Cc1nsc2ccccc21)C1CC([NH3+])C1 ZINC000641799970 362745417 /nfs/dbraw/zinc/74/54/17/362745417.db2.gz UJFCOXOBQPUGON-UHFFFAOYSA-N 2 2 247.367 2.218 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641796954 362740120 /nfs/dbraw/zinc/74/01/20/362740120.db2.gz NKYBQRDUTAKCTE-JTQLQIEISA-N 2 2 247.367 2.077 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000641796954 362740121 /nfs/dbraw/zinc/74/01/21/362740121.db2.gz NKYBQRDUTAKCTE-JTQLQIEISA-N 2 2 247.367 2.077 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000641801430 362755110 /nfs/dbraw/zinc/75/51/10/362755110.db2.gz CDANUWQGBUELDL-RQJHMYQMSA-N 2 2 245.779 2.012 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2c(F)cccc2F)C[C@@H]1[NH3+] ZINC000641803541 362760186 /nfs/dbraw/zinc/76/01/86/362760186.db2.gz SRTQYYWRVKUSCF-NWDGAFQWSA-N 2 2 240.297 2.180 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@]1(C)CO ZINC000580060657 346501509 /nfs/dbraw/zinc/50/15/09/346501509.db2.gz VLMWDXODROLERW-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@]1(C)CO ZINC000580060657 346501511 /nfs/dbraw/zinc/50/15/11/346501511.db2.gz VLMWDXODROLERW-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccn2)[C@@H]1C ZINC000641806927 362764942 /nfs/dbraw/zinc/76/49/42/362764942.db2.gz JLXLCNKXZAJLHU-YRGRVCCFSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccn2)[C@@H]1C ZINC000641806927 362764947 /nfs/dbraw/zinc/76/49/47/362764947.db2.gz JLXLCNKXZAJLHU-YRGRVCCFSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccnc2)[C@@H]1C ZINC000641807531 362766698 /nfs/dbraw/zinc/76/66/98/362766698.db2.gz KEXGLZOSCPLNSZ-YRGRVCCFSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccnc2)[C@@H]1C ZINC000641807531 362766704 /nfs/dbraw/zinc/76/67/04/362766704.db2.gz KEXGLZOSCPLNSZ-YRGRVCCFSA-N 2 2 233.359 2.029 20 0 BEADLP Cc1cccc([N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000049986734 179116250 /nfs/dbraw/zinc/11/62/50/179116250.db2.gz HEJBHZUFHFAEPI-UHFFFAOYSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1cccc([N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000049986734 179116251 /nfs/dbraw/zinc/11/62/51/179116251.db2.gz HEJBHZUFHFAEPI-UHFFFAOYSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000380156615 346566092 /nfs/dbraw/zinc/56/60/92/346566092.db2.gz ZFILEYPLVBFKSD-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000380156615 346566097 /nfs/dbraw/zinc/56/60/97/346566097.db2.gz ZFILEYPLVBFKSD-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178245259 346663264 /nfs/dbraw/zinc/66/32/64/346663264.db2.gz WXODSHQMYZQOQQ-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178245259 346663266 /nfs/dbraw/zinc/66/32/66/346663266.db2.gz WXODSHQMYZQOQQ-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000588178009 346642575 /nfs/dbraw/zinc/64/25/75/346642575.db2.gz BBZIIYDPUFLNLU-BOSPYUDASA-N 2 2 230.355 2.384 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000588178009 346642577 /nfs/dbraw/zinc/64/25/77/346642577.db2.gz BBZIIYDPUFLNLU-BOSPYUDASA-N 2 2 230.355 2.384 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCCC1 ZINC000038087657 346714095 /nfs/dbraw/zinc/71/40/95/346714095.db2.gz YKLBZTJCVJQZRN-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cccc(N[C@@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000049235993 179153498 /nfs/dbraw/zinc/15/34/98/179153498.db2.gz SWLXITQTGIDTNY-NSHDSACASA-N 2 2 216.288 2.087 20 0 BEADLP Cc1cccc(N[C@@H](C[NH3+])C2CCCC2)[nH+]1 ZINC000235921258 179153717 /nfs/dbraw/zinc/15/37/17/179153717.db2.gz IBXPSCQUZFCMGG-LBPRGKRZSA-N 2 2 219.332 2.319 20 0 BEADLP Cc1cccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000163889474 179154612 /nfs/dbraw/zinc/15/46/12/179154612.db2.gz CSKMJCNNNPVYLP-VXGBXAGGSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cccc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[nH+]1 ZINC000163889474 179154615 /nfs/dbraw/zinc/15/46/15/179154615.db2.gz CSKMJCNNNPVYLP-VXGBXAGGSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000163889278 179154744 /nfs/dbraw/zinc/15/47/44/179154744.db2.gz CSKMJCNNNPVYLP-NWDGAFQWSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cccc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000336545490 179155111 /nfs/dbraw/zinc/15/51/11/179155111.db2.gz HHDYUAWRIJRUBW-LLVKDONJSA-N 2 2 228.299 2.013 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1F ZINC000622003994 370653953 /nfs/dbraw/zinc/65/39/53/370653953.db2.gz IPALYFSZIRRHOM-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)ccc1F ZINC000622003994 370653956 /nfs/dbraw/zinc/65/39/56/370653956.db2.gz IPALYFSZIRRHOM-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CS1 ZINC000380094383 365875629 /nfs/dbraw/zinc/87/56/29/365875629.db2.gz JVBAYIHLBNQRIS-TUAOUCFPSA-N 2 2 230.421 2.056 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000310038021 347221787 /nfs/dbraw/zinc/22/17/87/347221787.db2.gz VRTNLYPELSOAOZ-NWDGAFQWSA-N 2 2 221.348 2.366 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000390681396 347425733 /nfs/dbraw/zinc/42/57/33/347425733.db2.gz ZXVPMFCNHIRAKH-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000390681396 347425737 /nfs/dbraw/zinc/42/57/37/347425737.db2.gz ZXVPMFCNHIRAKH-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)C1CCCC1 ZINC000054077395 347436803 /nfs/dbraw/zinc/43/68/03/347436803.db2.gz LQYLQRFVAZMIOG-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccccc1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358289690 179267506 /nfs/dbraw/zinc/26/75/06/179267506.db2.gz PTJHJAGHWIOQHY-HIFRSBDPSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccccc1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358289690 179267507 /nfs/dbraw/zinc/26/75/07/179267507.db2.gz PTJHJAGHWIOQHY-HIFRSBDPSA-N 2 2 232.371 2.077 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](Cc3ccccn3)C2)c[nH+]1 ZINC000591866539 347707380 /nfs/dbraw/zinc/70/73/80/347707380.db2.gz BREIFWRWKAQJID-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn([C@H]2CCC[N@H+](Cc3ccccn3)C2)c[nH+]1 ZINC000591866539 347707382 /nfs/dbraw/zinc/70/73/82/347707382.db2.gz BREIFWRWKAQJID-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)on1 ZINC000591867930 347708146 /nfs/dbraw/zinc/70/81/46/347708146.db2.gz UINWUQHYJKWSLH-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)on1 ZINC000591867930 347708149 /nfs/dbraw/zinc/70/81/49/347708149.db2.gz UINWUQHYJKWSLH-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868791 347708497 /nfs/dbraw/zinc/70/84/97/347708497.db2.gz DYWRSBPFJMGROB-LBPRGKRZSA-N 2 2 207.321 2.320 20 0 BEADLP CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868791 347708500 /nfs/dbraw/zinc/70/85/00/347708500.db2.gz DYWRSBPFJMGROB-LBPRGKRZSA-N 2 2 207.321 2.320 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044683882 179282794 /nfs/dbraw/zinc/28/27/94/179282794.db2.gz FSIJRQINEOEAHM-CQSZACIVSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044683882 179282795 /nfs/dbraw/zinc/28/27/95/179282795.db2.gz FSIJRQINEOEAHM-CQSZACIVSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671702 179283115 /nfs/dbraw/zinc/28/31/15/179283115.db2.gz GRYAJCZMWRUOGO-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671702 179283117 /nfs/dbraw/zinc/28/31/17/179283117.db2.gz GRYAJCZMWRUOGO-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[C@@H]([NH2+]CC[NH+](C)C)C1CC1 ZINC000286920711 179289576 /nfs/dbraw/zinc/28/95/76/179289576.db2.gz FOTKULNXVHYPAQ-MRXNPFEDSA-N 2 2 246.398 2.467 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358002522 179291213 /nfs/dbraw/zinc/29/12/13/179291213.db2.gz GHYJWQNQQKIGBZ-OFQRWUPVSA-N 2 2 246.398 2.466 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358002522 179291216 /nfs/dbraw/zinc/29/12/16/179291216.db2.gz GHYJWQNQQKIGBZ-OFQRWUPVSA-N 2 2 246.398 2.466 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(C)CC1 ZINC000577329430 365925814 /nfs/dbraw/zinc/92/58/14/365925814.db2.gz POYDDCLYDMHFMO-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(C)CC1 ZINC000577329430 365925819 /nfs/dbraw/zinc/92/58/19/365925819.db2.gz POYDDCLYDMHFMO-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)CC1 ZINC000577329430 365925825 /nfs/dbraw/zinc/92/58/25/365925825.db2.gz POYDDCLYDMHFMO-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CC1 ZINC000577329430 365925831 /nfs/dbraw/zinc/92/58/31/365925831.db2.gz POYDDCLYDMHFMO-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544508 179321428 /nfs/dbraw/zinc/32/14/28/179321428.db2.gz BSPXSDDJBJPGJS-CHWSQXEVSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544508 179321432 /nfs/dbraw/zinc/32/14/32/179321432.db2.gz BSPXSDDJBJPGJS-CHWSQXEVSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544510 179339969 /nfs/dbraw/zinc/33/99/69/179339969.db2.gz BSPXSDDJBJPGJS-QWHCGFSZSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544510 179339971 /nfs/dbraw/zinc/33/99/71/179339971.db2.gz BSPXSDDJBJPGJS-QWHCGFSZSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093178637 179373183 /nfs/dbraw/zinc/37/31/83/179373183.db2.gz YBXOVNARLIMNTB-KGLIPLIRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093178637 179373186 /nfs/dbraw/zinc/37/31/86/179373186.db2.gz YBXOVNARLIMNTB-KGLIPLIRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093178637 179373188 /nfs/dbraw/zinc/37/31/88/179373188.db2.gz YBXOVNARLIMNTB-KGLIPLIRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093178637 179373190 /nfs/dbraw/zinc/37/31/90/179373190.db2.gz YBXOVNARLIMNTB-KGLIPLIRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1c[nH+]c(CNc2[nH+]cccc2C)n1C ZINC000336741098 179394898 /nfs/dbraw/zinc/39/48/98/179394898.db2.gz QSGKMLYDKPUOPE-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP CCSCC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597180968 348681776 /nfs/dbraw/zinc/68/17/76/348681776.db2.gz YDNGYEPCLSSQMT-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597180968 348681781 /nfs/dbraw/zinc/68/17/81/348681781.db2.gz YDNGYEPCLSSQMT-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1C[C@@H]1C ZINC000309097228 179696619 /nfs/dbraw/zinc/69/66/19/179696619.db2.gz DHPMSAFADXDXDP-GXFFZTMASA-N 2 2 204.317 2.178 20 0 BEADLP Cc1sccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539160 538017858 /nfs/dbraw/zinc/01/78/58/538017858.db2.gz NQJLMVWNADLTJL-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP Cc1sccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539160 538017867 /nfs/dbraw/zinc/01/78/67/538017867.db2.gz NQJLMVWNADLTJL-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCCC13CC3)CCC2 ZINC000623825700 349086420 /nfs/dbraw/zinc/08/64/20/349086420.db2.gz JJTQXVHCOAXHFC-LBPRGKRZSA-N 2 2 245.370 2.499 20 0 BEADLP C[N@H+](Cc1ncccc1Cl)CC(C)(C)C[NH3+] ZINC000530210944 323210788 /nfs/dbraw/zinc/21/07/88/323210788.db2.gz KIYKWWHKTKYUTA-UHFFFAOYSA-N 2 2 241.766 2.152 20 0 BEADLP C[N@@H+](Cc1ncccc1Cl)CC(C)(C)C[NH3+] ZINC000530210944 323210789 /nfs/dbraw/zinc/21/07/89/323210789.db2.gz KIYKWWHKTKYUTA-UHFFFAOYSA-N 2 2 241.766 2.152 20 0 BEADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000302649763 350091771 /nfs/dbraw/zinc/09/17/71/350091771.db2.gz HGLPLRFMWUDTFD-BFHYXJOUSA-N 2 2 233.359 2.442 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000049553982 180037474 /nfs/dbraw/zinc/03/74/74/180037474.db2.gz YZIJKFKBCCJHGM-VHSXEESVSA-N 2 2 241.404 2.442 20 0 BEADLP CC(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000131987352 191019979 /nfs/dbraw/zinc/01/99/79/191019979.db2.gz BAFIKFJVWDEZKU-VXGBXAGGSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000131987352 191019980 /nfs/dbraw/zinc/01/99/80/191019980.db2.gz BAFIKFJVWDEZKU-VXGBXAGGSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000132195782 191027050 /nfs/dbraw/zinc/02/70/50/191027050.db2.gz KXHWHGHGDWIPCA-WOPDTQHZSA-N 2 2 210.365 2.246 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132195782 191027052 /nfs/dbraw/zinc/02/70/52/191027052.db2.gz KXHWHGHGDWIPCA-WOPDTQHZSA-N 2 2 210.365 2.246 20 0 BEADLP Cc1nc2ccc(C[NH2+][C@@H]3CC[NH2+]C3)cc2s1 ZINC000335640878 180090542 /nfs/dbraw/zinc/09/05/42/180090542.db2.gz CEWJOGPBDZPMRO-LLVKDONJSA-N 2 2 247.367 2.056 20 0 BEADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCOCC1 ZINC000532442623 323264994 /nfs/dbraw/zinc/26/49/94/323264994.db2.gz WPIQYUVAYUICCN-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000304565215 350163298 /nfs/dbraw/zinc/16/32/98/350163298.db2.gz LVKNTQZQZQQJOK-XQQFMLRXSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000063196312 180143321 /nfs/dbraw/zinc/14/33/21/180143321.db2.gz LNWPUJVNDLVFJM-BXKDBHETSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])s1 ZINC000063196312 180143324 /nfs/dbraw/zinc/14/33/24/180143324.db2.gz LNWPUJVNDLVFJM-BXKDBHETSA-N 2 2 239.388 2.153 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCSCC1 ZINC000037167317 191069328 /nfs/dbraw/zinc/06/93/28/191069328.db2.gz LMTWGEUFNHRJOC-ZDUSSCGKSA-N 2 2 244.448 2.448 20 0 BEADLP Cc1nc(NCCC[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000054935691 180198397 /nfs/dbraw/zinc/19/83/97/180198397.db2.gz WXJSPYBAJDPWDU-GFCCVEGCSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000054935691 180198404 /nfs/dbraw/zinc/19/84/04/180198404.db2.gz WXJSPYBAJDPWDU-GFCCVEGCSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266190670 180200896 /nfs/dbraw/zinc/20/08/96/180200896.db2.gz BTMHVRGPQNQWKH-NWDGAFQWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266190670 180200897 /nfs/dbraw/zinc/20/08/97/180200897.db2.gz BTMHVRGPQNQWKH-NWDGAFQWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@@H](C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000054936237 180203603 /nfs/dbraw/zinc/20/36/03/180203603.db2.gz DBJVFRURMOAKGJ-NSHDSACASA-N 2 2 234.347 2.071 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](C)CCC(F)(F)F ZINC000336682437 180246350 /nfs/dbraw/zinc/24/63/50/180246350.db2.gz RRCCHGGWRLSWAU-UHFFFAOYSA-N 2 2 235.253 2.076 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)CCC(F)(F)F ZINC000336682437 180246351 /nfs/dbraw/zinc/24/63/51/180246351.db2.gz RRCCHGGWRLSWAU-UHFFFAOYSA-N 2 2 235.253 2.076 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C ZINC000336550376 180250560 /nfs/dbraw/zinc/25/05/60/180250560.db2.gz SYGRUWOEPIMRNJ-LBPRGKRZSA-N 2 2 221.348 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C ZINC000336550376 180250562 /nfs/dbraw/zinc/25/05/62/180250562.db2.gz SYGRUWOEPIMRNJ-LBPRGKRZSA-N 2 2 221.348 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337388001 180251042 /nfs/dbraw/zinc/25/10/42/180251042.db2.gz GAWZHVLFAYAKDH-NSHDSACASA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C(F)F ZINC000337388001 180251043 /nfs/dbraw/zinc/25/10/43/180251043.db2.gz GAWZHVLFAYAKDH-NSHDSACASA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337388000 180252659 /nfs/dbraw/zinc/25/26/59/180252659.db2.gz GAWZHVLFAYAKDH-LLVKDONJSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337388000 180252662 /nfs/dbraw/zinc/25/26/62/180252662.db2.gz GAWZHVLFAYAKDH-LLVKDONJSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC2(CCC2)C1 ZINC000336555805 180252725 /nfs/dbraw/zinc/25/27/25/180252725.db2.gz YZRMOQACSRXSTI-UHFFFAOYSA-N 2 2 219.332 2.068 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC2(CCC2)C1 ZINC000336555805 180252727 /nfs/dbraw/zinc/25/27/27/180252727.db2.gz YZRMOQACSRXSTI-UHFFFAOYSA-N 2 2 219.332 2.068 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2sccc2C1 ZINC000299001707 180255161 /nfs/dbraw/zinc/25/51/61/180255161.db2.gz CCEROBRJGSUWOZ-UHFFFAOYSA-N 2 2 247.367 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCc2sccc2C1 ZINC000299001707 180255163 /nfs/dbraw/zinc/25/51/63/180255163.db2.gz CCEROBRJGSUWOZ-UHFFFAOYSA-N 2 2 247.367 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCSCC[C@H]1C ZINC000286293893 180255253 /nfs/dbraw/zinc/25/52/53/180255253.db2.gz VFKNOSFJUOERFW-LLVKDONJSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCSCC[C@H]1C ZINC000286293893 180255255 /nfs/dbraw/zinc/25/52/55/180255255.db2.gz VFKNOSFJUOERFW-LLVKDONJSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000309059829 180255304 /nfs/dbraw/zinc/25/53/04/180255304.db2.gz SASBYMACLTYTOA-TXEJJXNPSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000309059829 180255306 /nfs/dbraw/zinc/25/53/06/180255306.db2.gz SASBYMACLTYTOA-TXEJJXNPSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000336346079 180255981 /nfs/dbraw/zinc/25/59/81/180255981.db2.gz RIIXHZRVRBXVNE-STQMWFEESA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000336346079 180255982 /nfs/dbraw/zinc/25/59/82/180255982.db2.gz RIIXHZRVRBXVNE-STQMWFEESA-N 2 2 219.332 2.066 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050228054 350315123 /nfs/dbraw/zinc/31/51/23/350315123.db2.gz JHOFOWUJHUDLHE-ZDUSSCGKSA-N 2 2 234.343 2.007 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050228054 350315126 /nfs/dbraw/zinc/31/51/26/350315126.db2.gz JHOFOWUJHUDLHE-ZDUSSCGKSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000309129060 323318885 /nfs/dbraw/zinc/31/88/85/323318885.db2.gz QQRSGEGEHREBSF-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000309129060 323318890 /nfs/dbraw/zinc/31/88/90/323318890.db2.gz QQRSGEGEHREBSF-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000309218428 323329356 /nfs/dbraw/zinc/32/93/56/323329356.db2.gz UVBPINMDLMXLDC-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000309218428 323329361 /nfs/dbraw/zinc/32/93/61/323329361.db2.gz UVBPINMDLMXLDC-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427870912 191099139 /nfs/dbraw/zinc/09/91/39/191099139.db2.gz HCQSMJHCZZAHTE-FRRDWIJNSA-N 2 2 233.359 2.366 20 0 BEADLP CCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc[nH+]1 ZINC000040765240 350395186 /nfs/dbraw/zinc/39/51/86/350395186.db2.gz SAUDDFCDHKHYKF-GFCCVEGCSA-N 2 2 248.374 2.181 20 0 BEADLP CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc[nH+]1 ZINC000040765240 350395189 /nfs/dbraw/zinc/39/51/89/350395189.db2.gz SAUDDFCDHKHYKF-GFCCVEGCSA-N 2 2 248.374 2.181 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000093074914 259414763 /nfs/dbraw/zinc/41/47/63/259414763.db2.gz XKSVAPLHELZSEG-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000093074914 259414764 /nfs/dbraw/zinc/41/47/64/259414764.db2.gz XKSVAPLHELZSEG-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000163284373 350514670 /nfs/dbraw/zinc/51/46/70/350514670.db2.gz JKWGQZZWPMLEIE-MJBXVCDLSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000163284373 350514674 /nfs/dbraw/zinc/51/46/74/350514674.db2.gz JKWGQZZWPMLEIE-MJBXVCDLSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000393975860 350516473 /nfs/dbraw/zinc/51/64/73/350516473.db2.gz VYAPOJDVOCUZIR-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@@]1(C)CCCS1)C1CC1 ZINC000393975860 350516479 /nfs/dbraw/zinc/51/64/79/350516479.db2.gz VYAPOJDVOCUZIR-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000163419076 350520640 /nfs/dbraw/zinc/52/06/40/350520640.db2.gz JZINZQZRHDMTCI-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000163419076 350520641 /nfs/dbraw/zinc/52/06/41/350520641.db2.gz JZINZQZRHDMTCI-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397913348 350606762 /nfs/dbraw/zinc/60/67/62/350606762.db2.gz BWBPHFBQYRRJPR-GFCCVEGCSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616615147 350845426 /nfs/dbraw/zinc/84/54/26/350845426.db2.gz RJRPNGWZURLHLM-CQSZACIVSA-N 2 2 234.343 2.181 20 0 BEADLP COc1cccc([C@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616615147 350845429 /nfs/dbraw/zinc/84/54/29/350845429.db2.gz RJRPNGWZURLHLM-CQSZACIVSA-N 2 2 234.343 2.181 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000397540838 350909515 /nfs/dbraw/zinc/90/95/15/350909515.db2.gz VUGICCXEFQFYQW-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000019960031 350917496 /nfs/dbraw/zinc/91/74/96/350917496.db2.gz APZPSLSEMUJPGI-GXTWGEPZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000019960031 350917498 /nfs/dbraw/zinc/91/74/98/350917498.db2.gz APZPSLSEMUJPGI-GXTWGEPZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000336676841 350884947 /nfs/dbraw/zinc/88/49/47/350884947.db2.gz BYGKTXOULSXSPM-NWDGAFQWSA-N 2 2 221.348 2.222 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000336677864 350887352 /nfs/dbraw/zinc/88/73/52/350887352.db2.gz CCIOURCLDOOMOZ-CRWXNKLISA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000336677864 350887355 /nfs/dbraw/zinc/88/73/55/350887355.db2.gz CCIOURCLDOOMOZ-CRWXNKLISA-N 2 2 224.392 2.495 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000052920447 351077989 /nfs/dbraw/zinc/07/79/89/351077989.db2.gz GAOATSTXPOXMGV-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000052920447 351077990 /nfs/dbraw/zinc/07/79/90/351077990.db2.gz GAOATSTXPOXMGV-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP C[NH+](C)[C@@H](C[NH2+]C1CCOCC1)c1ccccc1 ZINC000036304131 358461075 /nfs/dbraw/zinc/46/10/75/358461075.db2.gz GRZBPIXLKKTPGM-HNNXBMFYSA-N 2 2 248.370 2.058 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000628350899 351312060 /nfs/dbraw/zinc/31/20/60/351312060.db2.gz RALJURCAOHBUMR-CMPLNLGQSA-N 2 2 246.345 2.494 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000628350899 351312062 /nfs/dbraw/zinc/31/20/62/351312062.db2.gz RALJURCAOHBUMR-CMPLNLGQSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270847841 351390055 /nfs/dbraw/zinc/39/00/55/351390055.db2.gz PAFKAYKRMLXSGP-UHFFFAOYSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270847841 351390060 /nfs/dbraw/zinc/39/00/60/351390060.db2.gz PAFKAYKRMLXSGP-UHFFFAOYSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252713279 538100299 /nfs/dbraw/zinc/10/02/99/538100299.db2.gz OSXUCEAXSCLGOA-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252713279 538100301 /nfs/dbraw/zinc/10/03/01/538100301.db2.gz OSXUCEAXSCLGOA-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCc1ncc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000577741836 366048735 /nfs/dbraw/zinc/04/87/35/366048735.db2.gz GUBVWOFUGBSGLI-UWVGGRQHSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1ncc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000577741836 366048739 /nfs/dbraw/zinc/04/87/39/366048739.db2.gz GUBVWOFUGBSGLI-UWVGGRQHSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)n1C ZINC000577769352 366058771 /nfs/dbraw/zinc/05/87/71/366058771.db2.gz IQYMICRCESZWQG-GHMZBOCLSA-N 2 2 225.311 2.099 20 0 BEADLP c1cn(C2CC[NH+](CCC[C@H]3CCO3)CC2)c[nH+]1 ZINC000637982347 351856412 /nfs/dbraw/zinc/85/64/12/351856412.db2.gz BVTDITXEISKEOF-AWEZNQCLSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CCC[C@H]3CCO3)C2)c[nH+]1 ZINC000638017463 351896488 /nfs/dbraw/zinc/89/64/88/351896488.db2.gz HJCRAVWHVJMTDP-KGLIPLIRSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CCC[C@H]3CCO3)C2)c[nH+]1 ZINC000638017463 351896491 /nfs/dbraw/zinc/89/64/91/351896491.db2.gz HJCRAVWHVJMTDP-KGLIPLIRSA-N 2 2 249.358 2.089 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccns2)CC[N@@H+]1C ZINC000638118482 351993128 /nfs/dbraw/zinc/99/31/28/351993128.db2.gz ZPWBWVJNDINXOK-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccns2)CC[N@H+]1C ZINC000638118482 351993129 /nfs/dbraw/zinc/99/31/29/351993129.db2.gz ZPWBWVJNDINXOK-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118482 351993131 /nfs/dbraw/zinc/99/31/31/351993131.db2.gz ZPWBWVJNDINXOK-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118482 351993133 /nfs/dbraw/zinc/99/31/33/351993133.db2.gz ZPWBWVJNDINXOK-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP CC(C)C[C@@H](C[NH2+]CCC[C@@H]1CCO1)[NH+](C)C ZINC000638348914 352165370 /nfs/dbraw/zinc/16/53/70/352165370.db2.gz DIGPGUZKZZQYCZ-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)C[C@H](C[NH2+]CCC[C@H]1CCO1)[NH+](C)C ZINC000638348913 352165565 /nfs/dbraw/zinc/16/55/65/352165565.db2.gz DIGPGUZKZZQYCZ-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000638361033 352171757 /nfs/dbraw/zinc/17/17/57/352171757.db2.gz ZLDJJKDDGXNHQI-AWEZNQCLSA-N 2 2 243.354 2.412 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@@H+]1CCCC[C@@H]1C)OC ZINC000638363180 352173095 /nfs/dbraw/zinc/17/30/95/352173095.db2.gz KRDBYGGTBJSZKT-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@H+]1CCCC[C@@H]1C)OC ZINC000638363180 352173097 /nfs/dbraw/zinc/17/30/97/352173097.db2.gz KRDBYGGTBJSZKT-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638363552 352173728 /nfs/dbraw/zinc/17/37/28/352173728.db2.gz OMDRBJYTRJXULF-XQLPTFJDSA-N 2 2 236.403 2.354 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638363552 352173730 /nfs/dbraw/zinc/17/37/30/352173730.db2.gz OMDRBJYTRJXULF-XQLPTFJDSA-N 2 2 236.403 2.354 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC1(F)F ZINC000638363925 352176136 /nfs/dbraw/zinc/17/61/36/352176136.db2.gz SXGHTMNZZQNKEP-SDDRHHMPSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@H]1CC1(F)F ZINC000638363925 352176140 /nfs/dbraw/zinc/17/61/40/352176140.db2.gz SXGHTMNZZQNKEP-SDDRHHMPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000638408237 352214194 /nfs/dbraw/zinc/21/41/94/352214194.db2.gz FSQYRIQDVHPJGW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000638408237 352214196 /nfs/dbraw/zinc/21/41/96/352214196.db2.gz FSQYRIQDVHPJGW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000638604695 352439888 /nfs/dbraw/zinc/43/98/88/352439888.db2.gz LTJZRHHKAWZZAZ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000638604695 352439891 /nfs/dbraw/zinc/43/98/91/352439891.db2.gz LTJZRHHKAWZZAZ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@H+](C)C1CC1 ZINC000638575153 352402424 /nfs/dbraw/zinc/40/24/24/352402424.db2.gz LSSOVKMJLRRTOK-YWVKMMECSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+](C)C1CC1 ZINC000638575153 352402427 /nfs/dbraw/zinc/40/24/27/352402427.db2.gz LSSOVKMJLRRTOK-YWVKMMECSA-N 2 2 232.318 2.102 20 0 BEADLP CC(C)C1(C[NH2+]C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000638575815 352403279 /nfs/dbraw/zinc/40/32/79/352403279.db2.gz RYZGUVQFMYVDRR-LBPRGKRZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1(C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000638575815 352403281 /nfs/dbraw/zinc/40/32/81/352403281.db2.gz RYZGUVQFMYVDRR-LBPRGKRZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000415000369 352465190 /nfs/dbraw/zinc/46/51/90/352465190.db2.gz XADUOODFXOIFFO-MXWKQRLJSA-N 2 2 234.334 2.385 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC000638708953 352545197 /nfs/dbraw/zinc/54/51/97/352545197.db2.gz PGPQCHGZGGSKTI-CMPLNLGQSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@H+]1C ZINC000638708953 352545200 /nfs/dbraw/zinc/54/52/00/352545200.db2.gz PGPQCHGZGGSKTI-CMPLNLGQSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000415014126 352550500 /nfs/dbraw/zinc/55/05/00/352550500.db2.gz WJDRDZDQUGCXNU-UWVGGRQHSA-N 2 2 218.300 2.258 20 0 BEADLP C[NH+]1CCC(CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000044526261 352653598 /nfs/dbraw/zinc/65/35/98/352653598.db2.gz LIZLPULFTIWQBW-UHFFFAOYSA-N 2 2 244.342 2.317 20 0 BEADLP CCCC[C@@H](C[NH3+])Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000420213955 192175802 /nfs/dbraw/zinc/17/58/02/192175802.db2.gz ZIRBNNFEQBJUPC-LBPRGKRZSA-N 2 2 248.374 2.014 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043326739 352637466 /nfs/dbraw/zinc/63/74/66/352637466.db2.gz VZJFADGTFMELPP-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000043327452 352637635 /nfs/dbraw/zinc/63/76/35/352637635.db2.gz PYFFRDDBLUWJPQ-KOLCDFICSA-N 2 2 239.388 2.163 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](CCC2CC2)CC1 ZINC000342826252 352826042 /nfs/dbraw/zinc/82/60/42/352826042.db2.gz PWNNCJLDLARTJW-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1sccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000334205476 352799972 /nfs/dbraw/zinc/79/99/72/352799972.db2.gz UPWHPCZROFRPEH-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP Cc1sccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000334205476 352799974 /nfs/dbraw/zinc/79/99/74/352799974.db2.gz UPWHPCZROFRPEH-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC2(O)CCC2)c[nH+]1 ZINC000342839093 352866566 /nfs/dbraw/zinc/86/65/66/352866566.db2.gz GUPATBOZHZNKPA-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000342847523 352873326 /nfs/dbraw/zinc/87/33/26/352873326.db2.gz CUCGJTFDCULUOH-UKRRQHHQSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000342847523 352873329 /nfs/dbraw/zinc/87/33/29/352873329.db2.gz CUCGJTFDCULUOH-UKRRQHHQSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000342847521 352873335 /nfs/dbraw/zinc/87/33/35/352873335.db2.gz CUCGJTFDCULUOH-DZGCQCFKSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNc1ccccc1 ZINC000342847521 352873338 /nfs/dbraw/zinc/87/33/38/352873338.db2.gz CUCGJTFDCULUOH-DZGCQCFKSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332577 352969855 /nfs/dbraw/zinc/96/98/55/352969855.db2.gz QWSQHGPUIAQFCR-NOZJJQNGSA-N 2 2 240.297 2.005 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332577 352969860 /nfs/dbraw/zinc/96/98/60/352969860.db2.gz QWSQHGPUIAQFCR-NOZJJQNGSA-N 2 2 240.297 2.005 20 0 BEADLP CCC([NH3+])(CC)CNc1cc(C)cc[nH+]1 ZINC000168510353 535194845 /nfs/dbraw/zinc/19/48/45/535194845.db2.gz PFBBDVWPIJWMKF-UHFFFAOYSA-N 2 2 207.321 2.319 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000638873355 353043812 /nfs/dbraw/zinc/04/38/12/353043812.db2.gz HUHBGAMXTFSNPJ-GFCCVEGCSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000638873355 353043814 /nfs/dbraw/zinc/04/38/14/353043814.db2.gz HUHBGAMXTFSNPJ-GFCCVEGCSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638874180 353044457 /nfs/dbraw/zinc/04/44/57/353044457.db2.gz QAYDGBKUKRNIHR-APIJFGDWSA-N 2 2 236.403 2.354 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638874180 353044459 /nfs/dbraw/zinc/04/44/59/353044459.db2.gz QAYDGBKUKRNIHR-APIJFGDWSA-N 2 2 236.403 2.354 20 0 BEADLP CC(C)C1(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000638918303 353082604 /nfs/dbraw/zinc/08/26/04/353082604.db2.gz PJRMRJXHKCWFDJ-KGLIPLIRSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000638918303 353082606 /nfs/dbraw/zinc/08/26/06/353082606.db2.gz PJRMRJXHKCWFDJ-KGLIPLIRSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000638918303 353082608 /nfs/dbraw/zinc/08/26/08/353082608.db2.gz PJRMRJXHKCWFDJ-KGLIPLIRSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000638918303 353082609 /nfs/dbraw/zinc/08/26/09/353082609.db2.gz PJRMRJXHKCWFDJ-KGLIPLIRSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000638918394 353083255 /nfs/dbraw/zinc/08/32/55/353083255.db2.gz PJRMRJXHKCWFDJ-ZIAGYGMSSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000638918394 353083258 /nfs/dbraw/zinc/08/32/58/353083258.db2.gz PJRMRJXHKCWFDJ-ZIAGYGMSSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000638918394 353083262 /nfs/dbraw/zinc/08/32/62/353083262.db2.gz PJRMRJXHKCWFDJ-ZIAGYGMSSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000638918394 353083264 /nfs/dbraw/zinc/08/32/64/353083264.db2.gz PJRMRJXHKCWFDJ-ZIAGYGMSSA-N 2 2 236.403 2.449 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000285760365 188034301 /nfs/dbraw/zinc/03/43/01/188034301.db2.gz SDKXGLNOUMOABB-QWHCGFSZSA-N 2 2 244.342 2.326 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336757272 353159057 /nfs/dbraw/zinc/15/90/57/353159057.db2.gz JCSMMRPWLARABW-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336757272 353159059 /nfs/dbraw/zinc/15/90/59/353159059.db2.gz JCSMMRPWLARABW-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336768035 353277175 /nfs/dbraw/zinc/27/71/75/353277175.db2.gz UGCXGLXPXQNOEH-AGIUHOORSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336768035 353277178 /nfs/dbraw/zinc/27/71/78/353277178.db2.gz UGCXGLXPXQNOEH-AGIUHOORSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)C(C)C ZINC000163707014 538113247 /nfs/dbraw/zinc/11/32/47/538113247.db2.gz XMHKGEBCSMSPCW-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000223249745 188254352 /nfs/dbraw/zinc/25/43/52/188254352.db2.gz JKTWKZKYRAFIQC-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000223249745 188254354 /nfs/dbraw/zinc/25/43/54/188254354.db2.gz JKTWKZKYRAFIQC-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000336595271 188255839 /nfs/dbraw/zinc/25/58/39/188255839.db2.gz KKBSNZXOTHTNGO-OCCSQVGLSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000336595271 188255841 /nfs/dbraw/zinc/25/58/41/188255841.db2.gz KKBSNZXOTHTNGO-OCCSQVGLSA-N 2 2 218.344 2.035 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000336769728 353296270 /nfs/dbraw/zinc/29/62/70/353296270.db2.gz SJPZWTMAZCFFPU-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000336769728 353296274 /nfs/dbraw/zinc/29/62/74/353296274.db2.gz SJPZWTMAZCFFPU-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCSC1 ZINC000037166742 188279429 /nfs/dbraw/zinc/27/94/29/188279429.db2.gz ZPRIELJPHORXIA-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000252689153 353303870 /nfs/dbraw/zinc/30/38/70/353303870.db2.gz QITVFMDUZHPKDR-GXTWGEPZSA-N 2 2 218.344 2.084 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000252689153 353303871 /nfs/dbraw/zinc/30/38/71/353303871.db2.gz QITVFMDUZHPKDR-GXTWGEPZSA-N 2 2 218.344 2.084 20 0 BEADLP CSc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000036946406 188324767 /nfs/dbraw/zinc/32/47/67/188324767.db2.gz SLOVHLULZYJPLA-UHFFFAOYSA-N 2 2 236.384 2.204 20 0 BEADLP CSc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000036946406 188324769 /nfs/dbraw/zinc/32/47/69/188324769.db2.gz SLOVHLULZYJPLA-UHFFFAOYSA-N 2 2 236.384 2.204 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336761515 188348382 /nfs/dbraw/zinc/34/83/82/188348382.db2.gz NFWYAUCBICJSQZ-AVGNSLFASA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336761515 188348383 /nfs/dbraw/zinc/34/83/83/188348383.db2.gz NFWYAUCBICJSQZ-AVGNSLFASA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000301002420 188349774 /nfs/dbraw/zinc/34/97/74/188349774.db2.gz XHENZBQNHXUTOS-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000301002420 188349776 /nfs/dbraw/zinc/34/97/76/188349776.db2.gz XHENZBQNHXUTOS-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343318844 353671707 /nfs/dbraw/zinc/67/17/07/353671707.db2.gz YVQMANVBQGBLSP-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343318844 353671711 /nfs/dbraw/zinc/67/17/11/353671711.db2.gz YVQMANVBQGBLSP-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP Fc1ccccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000020129131 181012992 /nfs/dbraw/zinc/01/29/92/181012992.db2.gz OPLOPICZZXGGKV-UHFFFAOYSA-N 2 2 236.334 2.401 20 0 BEADLP Cc1ccc(CC[NH2+]CC[N@H+]2CC=CCC2)cc1 ZINC000639124601 353811188 /nfs/dbraw/zinc/81/11/88/353811188.db2.gz YAHYGLACNMKMGP-UHFFFAOYSA-N 2 2 244.382 2.389 20 0 BEADLP Cc1ccc(CC[NH2+]CC[N@@H+]2CC=CCC2)cc1 ZINC000639124601 353811190 /nfs/dbraw/zinc/81/11/90/353811190.db2.gz YAHYGLACNMKMGP-UHFFFAOYSA-N 2 2 244.382 2.389 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2ccsc2)n1C ZINC000580347175 353814195 /nfs/dbraw/zinc/81/41/95/353814195.db2.gz NVZDEYFZUYHRFB-UHFFFAOYSA-N 2 2 235.356 2.122 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000220305339 353832772 /nfs/dbraw/zinc/83/27/72/353832772.db2.gz BJKCFSCYQJIZAP-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000220305339 353832775 /nfs/dbraw/zinc/83/27/75/353832775.db2.gz BJKCFSCYQJIZAP-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1F ZINC000334539994 353928100 /nfs/dbraw/zinc/92/81/00/353928100.db2.gz RIAMZFRJSXKLFW-SMDDNHRTSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)ccc1F ZINC000334539994 353928102 /nfs/dbraw/zinc/92/81/02/353928102.db2.gz RIAMZFRJSXKLFW-SMDDNHRTSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1nc(N[C@H]2CCC[N@H+](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000343531009 353929809 /nfs/dbraw/zinc/92/98/09/353929809.db2.gz PUVTYQZWRYAFAT-AAEUAGOBSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000343531009 353929811 /nfs/dbraw/zinc/92/98/11/353929811.db2.gz PUVTYQZWRYAFAT-AAEUAGOBSA-N 2 2 248.374 2.296 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343609640 353932975 /nfs/dbraw/zinc/93/29/75/353932975.db2.gz QBAQXAUOHDVNCT-COMQUAJESA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343609640 353932977 /nfs/dbraw/zinc/93/29/77/353932977.db2.gz QBAQXAUOHDVNCT-COMQUAJESA-N 2 2 236.403 2.495 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000343576175 353938263 /nfs/dbraw/zinc/93/82/63/353938263.db2.gz SBHHXDZXLLNUHT-DZGCQCFKSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000343576175 353938264 /nfs/dbraw/zinc/93/82/64/353938264.db2.gz SBHHXDZXLLNUHT-DZGCQCFKSA-N 2 2 232.371 2.343 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000334553003 353995481 /nfs/dbraw/zinc/99/54/81/353995481.db2.gz BCHCIQOIVFVOPJ-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000334553003 353995484 /nfs/dbraw/zinc/99/54/84/353995484.db2.gz BCHCIQOIVFVOPJ-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000334558036 354005815 /nfs/dbraw/zinc/00/58/15/354005815.db2.gz CTYJGFWWWSJPEH-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000334558036 354005816 /nfs/dbraw/zinc/00/58/16/354005816.db2.gz CTYJGFWWWSJPEH-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC000334568340 354092285 /nfs/dbraw/zinc/09/22/85/354092285.db2.gz YLEACJKTBVANRW-NSHDSACASA-N 2 2 231.343 2.120 20 0 BEADLP CCC1(CC)[C@H]([NH2+]C[C@H](C)[NH+](C)C)C[C@H]1OC ZINC000344164171 354169000 /nfs/dbraw/zinc/16/90/00/354169000.db2.gz IIJUTXOOFQVUTP-YNEHKIRRSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)ns1 ZINC000639176337 354220840 /nfs/dbraw/zinc/22/08/40/354220840.db2.gz VAPRLAIPLPCDED-UHFFFAOYSA-N 2 2 241.404 2.225 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ns1 ZINC000639176337 354220843 /nfs/dbraw/zinc/22/08/43/354220843.db2.gz VAPRLAIPLPCDED-UHFFFAOYSA-N 2 2 241.404 2.225 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344339583 354236200 /nfs/dbraw/zinc/23/62/00/354236200.db2.gz YIGSZGPYRZCVHA-SWLSCSKDSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344339583 354236204 /nfs/dbraw/zinc/23/62/04/354236204.db2.gz YIGSZGPYRZCVHA-SWLSCSKDSA-N 2 2 248.370 2.268 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000344588765 354320723 /nfs/dbraw/zinc/32/07/23/354320723.db2.gz UHNYIEFKQKZXCD-WFASDCNBSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344588765 354320727 /nfs/dbraw/zinc/32/07/27/354320727.db2.gz UHNYIEFKQKZXCD-WFASDCNBSA-N 2 2 232.371 2.289 20 0 BEADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)CC1(C)C ZINC000334632300 354375834 /nfs/dbraw/zinc/37/58/34/354375834.db2.gz IJVNHNQIBGFBQK-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)CC1(C)C ZINC000334632300 354375836 /nfs/dbraw/zinc/37/58/36/354375836.db2.gz IJVNHNQIBGFBQK-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634732 366199238 /nfs/dbraw/zinc/19/92/38/366199238.db2.gz YGQYWGSFXQSUSW-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634732 366199244 /nfs/dbraw/zinc/19/92/44/366199244.db2.gz YGQYWGSFXQSUSW-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634743 366201274 /nfs/dbraw/zinc/20/12/74/366201274.db2.gz ZPCIUTGSVGNKDN-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634743 366201280 /nfs/dbraw/zinc/20/12/80/366201280.db2.gz ZPCIUTGSVGNKDN-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000623634523 366201570 /nfs/dbraw/zinc/20/15/70/366201570.db2.gz IHRNNEBUWRWBNX-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000623634523 366201575 /nfs/dbraw/zinc/20/15/75/366201575.db2.gz IHRNNEBUWRWBNX-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644574 354403320 /nfs/dbraw/zinc/40/33/20/354403320.db2.gz NJZJMSMCIJIOSW-SMDDNHRTSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644574 354403323 /nfs/dbraw/zinc/40/33/23/354403323.db2.gz NJZJMSMCIJIOSW-SMDDNHRTSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1CCC(C)(C)[N@@H+]1CCn1cc[nH+]c1 ZINC000334691897 354481513 /nfs/dbraw/zinc/48/15/13/354481513.db2.gz HVDSFRZDBNYJCP-LLVKDONJSA-N 2 2 207.321 2.146 20 0 BEADLP C[C@@H]1CCC(C)(C)[N@H+]1CCn1cc[nH+]c1 ZINC000334691897 354481516 /nfs/dbraw/zinc/48/15/16/354481516.db2.gz HVDSFRZDBNYJCP-LLVKDONJSA-N 2 2 207.321 2.146 20 0 BEADLP Cc1oncc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334707342 354502033 /nfs/dbraw/zinc/50/20/33/354502033.db2.gz BAYUIJMXHRFFFT-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1oncc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334707342 354502037 /nfs/dbraw/zinc/50/20/37/354502037.db2.gz BAYUIJMXHRFFFT-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+]C2)c(C)s1 ZINC000334847213 354594317 /nfs/dbraw/zinc/59/43/17/354594317.db2.gz DYFYEJSKZVTCEY-LBPRGKRZSA-N 2 2 224.373 2.207 20 0 BEADLP CSc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000335113231 354700791 /nfs/dbraw/zinc/70/07/91/354700791.db2.gz YITVJSSZOOVXRU-UHFFFAOYSA-N 2 2 236.384 2.204 20 0 BEADLP CSc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000335113231 354700794 /nfs/dbraw/zinc/70/07/94/354700794.db2.gz YITVJSSZOOVXRU-UHFFFAOYSA-N 2 2 236.384 2.204 20 0 BEADLP C[C@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000335145404 354854474 /nfs/dbraw/zinc/85/44/74/354854474.db2.gz CNRTZMSOIKPGLP-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC000335145404 354854476 /nfs/dbraw/zinc/85/44/76/354854476.db2.gz CNRTZMSOIKPGLP-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000335165728 354922387 /nfs/dbraw/zinc/92/23/87/354922387.db2.gz WSWKNTZATMIQLE-ZYHUDNBSSA-N 2 2 224.373 2.144 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346566068 354970342 /nfs/dbraw/zinc/97/03/42/354970342.db2.gz RNAOYIOAIHMMGE-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346566068 354970346 /nfs/dbraw/zinc/97/03/46/354970346.db2.gz RNAOYIOAIHMMGE-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000346567855 354971065 /nfs/dbraw/zinc/97/10/65/354971065.db2.gz VLIIRNSVAHALMX-OLZOCXBDSA-N 2 2 249.358 2.041 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)C[C@H]1C ZINC000335191783 355024677 /nfs/dbraw/zinc/02/46/77/355024677.db2.gz SJVBAESZIKAYOQ-LLVKDONJSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000335191783 355024680 /nfs/dbraw/zinc/02/46/80/355024680.db2.gz SJVBAESZIKAYOQ-LLVKDONJSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000335192920 355025773 /nfs/dbraw/zinc/02/57/73/355025773.db2.gz SJVBAESZIKAYOQ-NSHDSACASA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000335192920 355025777 /nfs/dbraw/zinc/02/57/77/355025777.db2.gz SJVBAESZIKAYOQ-NSHDSACASA-N 2 2 221.348 2.312 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000335215862 355054141 /nfs/dbraw/zinc/05/41/41/355054141.db2.gz INDOIQKEOZXBFB-VXGBXAGGSA-N 2 2 242.725 2.449 20 0 BEADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000335215860 355054187 /nfs/dbraw/zinc/05/41/87/355054187.db2.gz INDOIQKEOZXBFB-NWDGAFQWSA-N 2 2 242.725 2.449 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000335215859 355054230 /nfs/dbraw/zinc/05/42/30/355054230.db2.gz INDOIQKEOZXBFB-NEPJUHHUSA-N 2 2 242.725 2.449 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346804313 355109152 /nfs/dbraw/zinc/10/91/52/355109152.db2.gz HARHBIJONVJKMV-IHRRRGAJSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346804313 355109154 /nfs/dbraw/zinc/10/91/54/355109154.db2.gz HARHBIJONVJKMV-IHRRRGAJSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1nc(C)c([C@H](C)[N@H+](C)CC(C)(C)[NH3+])s1 ZINC000346821554 355124983 /nfs/dbraw/zinc/12/49/83/355124983.db2.gz IOLVGKLVDDBMEK-VIFPVBQESA-N 2 2 241.404 2.490 20 0 BEADLP Cc1nc(C)c([C@H](C)[N@@H+](C)CC(C)(C)[NH3+])s1 ZINC000346821554 355124986 /nfs/dbraw/zinc/12/49/86/355124986.db2.gz IOLVGKLVDDBMEK-VIFPVBQESA-N 2 2 241.404 2.490 20 0 BEADLP Cc1ccccc1OCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000346859621 355118330 /nfs/dbraw/zinc/11/83/30/355118330.db2.gz SUEQJGQBJKCMCA-UHFFFAOYSA-N 2 2 236.359 2.043 20 0 BEADLP Cc1ccccc1OCC[N@H+](C)CC(C)(C)[NH3+] ZINC000346859621 355118334 /nfs/dbraw/zinc/11/83/34/355118334.db2.gz SUEQJGQBJKCMCA-UHFFFAOYSA-N 2 2 236.359 2.043 20 0 BEADLP CCOc1ccccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000346859644 355118417 /nfs/dbraw/zinc/11/84/17/355118417.db2.gz ZMZGCMBOYSEGQS-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP CCOc1ccccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000346859644 355118422 /nfs/dbraw/zinc/11/84/22/355118422.db2.gz ZMZGCMBOYSEGQS-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC000639241963 355227992 /nfs/dbraw/zinc/22/79/92/355227992.db2.gz KPBWIZVBTXILDT-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC000639241963 355227995 /nfs/dbraw/zinc/22/79/95/355227995.db2.gz KPBWIZVBTXILDT-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cscn1 ZINC000335281661 355272218 /nfs/dbraw/zinc/27/22/18/355272218.db2.gz JGQQGIZXNROIIP-UWVGGRQHSA-N 2 2 248.355 2.005 20 0 BEADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347603983 355253952 /nfs/dbraw/zinc/25/39/52/355253952.db2.gz VCDIURFSXVMZLK-UHFFFAOYSA-N 2 2 239.388 2.189 20 0 BEADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000347603983 355253957 /nfs/dbraw/zinc/25/39/57/355253957.db2.gz VCDIURFSXVMZLK-UHFFFAOYSA-N 2 2 239.388 2.189 20 0 BEADLP Cc1ccc(CC[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000639273247 355344835 /nfs/dbraw/zinc/34/48/35/355344835.db2.gz URVPXMHAKBDKBU-UHFFFAOYSA-N 2 2 232.371 2.221 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251712200 491079369 /nfs/dbraw/zinc/07/93/69/491079369.db2.gz BRJOPNJWRXVFQP-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251712200 491079372 /nfs/dbraw/zinc/07/93/72/491079372.db2.gz BRJOPNJWRXVFQP-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414789629 191568783 /nfs/dbraw/zinc/56/87/83/191568783.db2.gz FOTXEPFSVUEPGH-AWEZNQCLSA-N 2 2 238.350 2.461 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1sccc1Cl ZINC000414983611 191641490 /nfs/dbraw/zinc/64/14/90/191641490.db2.gz FETOOZIMLGLWLG-SSDOTTSWSA-N 2 2 218.753 2.228 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639303221 355652974 /nfs/dbraw/zinc/65/29/74/355652974.db2.gz NYECCODFQCPNOW-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639303221 355652975 /nfs/dbraw/zinc/65/29/75/355652975.db2.gz NYECCODFQCPNOW-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1ccc(CC[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000639309350 355665448 /nfs/dbraw/zinc/66/54/48/355665448.db2.gz MDVJFZNEBRREGF-UHFFFAOYSA-N 2 2 232.371 2.031 20 0 BEADLP Cc1ccc(CC[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000639309350 355665450 /nfs/dbraw/zinc/66/54/50/355665450.db2.gz MDVJFZNEBRREGF-UHFFFAOYSA-N 2 2 232.371 2.031 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000639305776 355670048 /nfs/dbraw/zinc/67/00/48/355670048.db2.gz WZSBJIDOAHHZAS-WOPDTQHZSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000639305776 355670050 /nfs/dbraw/zinc/67/00/50/355670050.db2.gz WZSBJIDOAHHZAS-WOPDTQHZSA-N 2 2 242.432 2.343 20 0 BEADLP CC1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000336005058 134049148 /nfs/dbraw/zinc/04/91/48/134049148.db2.gz HQXRFSYQWZKUGN-MCIGGMRASA-N 2 2 233.359 2.435 20 0 BEADLP CC1CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000336005058 134049149 /nfs/dbraw/zinc/04/91/49/134049149.db2.gz HQXRFSYQWZKUGN-MCIGGMRASA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000393975861 355708200 /nfs/dbraw/zinc/70/82/00/355708200.db2.gz VYAPOJDVOCUZIR-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@]1(C)CCCS1)C1CC1 ZINC000393975861 355708202 /nfs/dbraw/zinc/70/82/02/355708202.db2.gz VYAPOJDVOCUZIR-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000389148882 355731247 /nfs/dbraw/zinc/73/12/47/355731247.db2.gz IWRKHFTZSLUZMB-ZDUSSCGKSA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000389148882 355731249 /nfs/dbraw/zinc/73/12/49/355731249.db2.gz IWRKHFTZSLUZMB-ZDUSSCGKSA-N 2 2 240.297 2.149 20 0 BEADLP C[C@@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000639343574 355786531 /nfs/dbraw/zinc/78/65/31/355786531.db2.gz LFAJGRXIROXCEX-NEPJUHHUSA-N 2 2 233.359 2.417 20 0 BEADLP C[C@@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1C ZINC000639343574 355786533 /nfs/dbraw/zinc/78/65/33/355786533.db2.gz LFAJGRXIROXCEX-NEPJUHHUSA-N 2 2 233.359 2.417 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000389208489 355873403 /nfs/dbraw/zinc/87/34/03/355873403.db2.gz BKHSHKZREHIYMA-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000389208489 355873408 /nfs/dbraw/zinc/87/34/08/355873408.db2.gz BKHSHKZREHIYMA-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000389208502 355873548 /nfs/dbraw/zinc/87/35/48/355873548.db2.gz BKJCZARBMLBDAX-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000389208502 355873553 /nfs/dbraw/zinc/87/35/53/355873553.db2.gz BKJCZARBMLBDAX-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351471954 355996643 /nfs/dbraw/zinc/99/66/43/355996643.db2.gz NIIQRMBMUPKVHS-MBNYWOFBSA-N 2 2 232.327 2.191 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351471954 355996645 /nfs/dbraw/zinc/99/66/45/355996645.db2.gz NIIQRMBMUPKVHS-MBNYWOFBSA-N 2 2 232.327 2.191 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@@H]1C ZINC000351232408 355965634 /nfs/dbraw/zinc/96/56/34/355965634.db2.gz XWSUUNCHDFJHKY-DGAVXFQQSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@@H]1C ZINC000351232408 355965639 /nfs/dbraw/zinc/96/56/39/355965639.db2.gz XWSUUNCHDFJHKY-DGAVXFQQSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]1C ZINC000351232408 355965642 /nfs/dbraw/zinc/96/56/42/355965642.db2.gz XWSUUNCHDFJHKY-DGAVXFQQSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1C ZINC000351232408 355965647 /nfs/dbraw/zinc/96/56/47/355965647.db2.gz XWSUUNCHDFJHKY-DGAVXFQQSA-N 2 2 222.376 2.201 20 0 BEADLP Cc1occc1C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000639393062 356063966 /nfs/dbraw/zinc/06/39/66/356063966.db2.gz RAGFGJHFDXXCTM-AWEZNQCLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000639393062 356063968 /nfs/dbraw/zinc/06/39/68/356063968.db2.gz RAGFGJHFDXXCTM-AWEZNQCLSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@H+](Cc1cccc(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395566 356092764 /nfs/dbraw/zinc/09/27/64/356092764.db2.gz CGQNOWZKMKQFPV-HNNXBMFYSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639395566 356092769 /nfs/dbraw/zinc/09/27/69/356092769.db2.gz CGQNOWZKMKQFPV-HNNXBMFYSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000639396378 356098231 /nfs/dbraw/zinc/09/82/31/356098231.db2.gz KITFYFZIXPWWLF-CQSZACIVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000639396378 356098234 /nfs/dbraw/zinc/09/82/34/356098234.db2.gz KITFYFZIXPWWLF-CQSZACIVSA-N 2 2 234.343 2.114 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420269394 192195359 /nfs/dbraw/zinc/19/53/59/192195359.db2.gz HVQBUPJELPIVDV-LBPRGKRZSA-N 2 2 224.373 2.104 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000420269394 192195362 /nfs/dbraw/zinc/19/53/62/192195362.db2.gz HVQBUPJELPIVDV-LBPRGKRZSA-N 2 2 224.373 2.104 20 0 BEADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000420320634 192195756 /nfs/dbraw/zinc/19/57/56/192195756.db2.gz UIAYYWYGLBQTPP-GFCCVEGCSA-N 2 2 249.358 2.255 20 0 BEADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000420320634 192195758 /nfs/dbraw/zinc/19/57/58/192195758.db2.gz UIAYYWYGLBQTPP-GFCCVEGCSA-N 2 2 249.358 2.255 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CC(C)(C)O)c(C)[nH+]1 ZINC000639490669 356308639 /nfs/dbraw/zinc/30/86/39/356308639.db2.gz UYAXCOAMMMIKHR-UHFFFAOYSA-N 2 2 236.359 2.210 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CC(C)(C)O)c(C)[nH+]1 ZINC000639490669 356308643 /nfs/dbraw/zinc/30/86/43/356308643.db2.gz UYAXCOAMMMIKHR-UHFFFAOYSA-N 2 2 236.359 2.210 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000420283580 192200046 /nfs/dbraw/zinc/20/00/46/192200046.db2.gz CEXPXJUFYFQGKF-VIFPVBQESA-N 2 2 224.270 2.142 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000420283580 192200048 /nfs/dbraw/zinc/20/00/48/192200048.db2.gz CEXPXJUFYFQGKF-VIFPVBQESA-N 2 2 224.270 2.142 20 0 BEADLP CSc1ccccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000420292313 192202379 /nfs/dbraw/zinc/20/23/79/192202379.db2.gz PFBYASCACQQBOO-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000420292313 192202382 /nfs/dbraw/zinc/20/23/82/192202382.db2.gz PFBYASCACQQBOO-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000420291572 192203315 /nfs/dbraw/zinc/20/33/15/192203315.db2.gz NXYWKCZEIXDGFQ-SNVBAGLBSA-N 2 2 238.297 2.403 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000420291572 192203317 /nfs/dbraw/zinc/20/33/17/192203317.db2.gz NXYWKCZEIXDGFQ-SNVBAGLBSA-N 2 2 238.297 2.403 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000420339585 192215918 /nfs/dbraw/zinc/21/59/18/192215918.db2.gz MAYJGQUYCIFHAQ-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc(CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000420339585 192215921 /nfs/dbraw/zinc/21/59/21/192215921.db2.gz MAYJGQUYCIFHAQ-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000420342826 192216758 /nfs/dbraw/zinc/21/67/58/192216758.db2.gz YFNXXBZQTVAMFT-AWEZNQCLSA-N 2 2 236.334 2.354 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000420342826 192216760 /nfs/dbraw/zinc/21/67/60/192216760.db2.gz YFNXXBZQTVAMFT-AWEZNQCLSA-N 2 2 236.334 2.354 20 0 BEADLP COc1ccccc1CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420352767 192217664 /nfs/dbraw/zinc/21/76/64/192217664.db2.gz MSPXGTDDIBOWTP-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420352767 192217667 /nfs/dbraw/zinc/21/76/67/192217667.db2.gz MSPXGTDDIBOWTP-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1 ZINC000420353904 192218151 /nfs/dbraw/zinc/21/81/51/192218151.db2.gz AVIDRXITKYUXAP-BZPMIXESSA-N 2 2 218.344 2.163 20 0 BEADLP C[N@H+](Cc1ncc(C2CC2)o1)[C@H]1CCC[NH2+]CC1 ZINC000420315494 192212202 /nfs/dbraw/zinc/21/22/02/192212202.db2.gz RPELYRDEDYLTIM-LBPRGKRZSA-N 2 2 249.358 2.126 20 0 BEADLP C[N@@H+](Cc1ncc(C2CC2)o1)[C@H]1CCC[NH2+]CC1 ZINC000420315494 192212204 /nfs/dbraw/zinc/21/22/04/192212204.db2.gz RPELYRDEDYLTIM-LBPRGKRZSA-N 2 2 249.358 2.126 20 0 BEADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccn1 ZINC000420361748 192221770 /nfs/dbraw/zinc/22/17/70/192221770.db2.gz IIXAUYBVRDZORJ-CIQGVGRVSA-N 2 2 233.359 2.119 20 0 BEADLP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC[NH3+] ZINC000420361233 192222794 /nfs/dbraw/zinc/22/27/94/192222794.db2.gz MXYBTGISLNXDKJ-CYBMUJFWSA-N 2 2 224.323 2.413 20 0 BEADLP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC[NH3+] ZINC000420361233 192222797 /nfs/dbraw/zinc/22/27/97/192222797.db2.gz MXYBTGISLNXDKJ-CYBMUJFWSA-N 2 2 224.323 2.413 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000420362849 192224438 /nfs/dbraw/zinc/22/44/38/192224438.db2.gz JABVGAWIPKCDKQ-GYSYKLTISA-N 2 2 236.334 2.302 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420366303 192225374 /nfs/dbraw/zinc/22/53/74/192225374.db2.gz MBEMDJWAUDYCCW-TYNCELHUSA-N 2 2 248.370 2.171 20 0 BEADLP C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420386149 192235062 /nfs/dbraw/zinc/23/50/62/192235062.db2.gz VCIAJHBWFFDFIY-VCTAVGKDSA-N 2 2 248.345 2.482 20 0 BEADLP C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420386149 192235065 /nfs/dbraw/zinc/23/50/65/192235065.db2.gz VCIAJHBWFFDFIY-VCTAVGKDSA-N 2 2 248.345 2.482 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000420382161 192235464 /nfs/dbraw/zinc/23/54/64/192235464.db2.gz YMJBLUHRYOVLKR-GHMZBOCLSA-N 2 2 222.332 2.083 20 0 BEADLP CCC(F)(F)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000639550718 356427288 /nfs/dbraw/zinc/42/72/88/356427288.db2.gz AYJGIIOLSFGESZ-UHFFFAOYSA-N 2 2 231.290 2.250 20 0 BEADLP CCC(F)(F)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000639550718 356427292 /nfs/dbraw/zinc/42/72/92/356427292.db2.gz AYJGIIOLSFGESZ-UHFFFAOYSA-N 2 2 231.290 2.250 20 0 BEADLP CC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC000301668940 356560684 /nfs/dbraw/zinc/56/06/84/356560684.db2.gz DNSKHRLMFYKQCH-UHFFFAOYSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C[C@H](C)O)C2CC2)c(C)[nH+]1 ZINC000639749323 356643167 /nfs/dbraw/zinc/64/31/67/356643167.db2.gz HYOTWRWFXWWZIE-LBPRGKRZSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@H+](C[C@H](C)O)C2CC2)c(C)[nH+]1 ZINC000639749323 356643171 /nfs/dbraw/zinc/64/31/71/356643171.db2.gz HYOTWRWFXWWZIE-LBPRGKRZSA-N 2 2 248.370 2.352 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000130079509 325010510 /nfs/dbraw/zinc/01/05/10/325010510.db2.gz QWLHOFMKXYBXAW-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000399093767 366319847 /nfs/dbraw/zinc/31/98/47/366319847.db2.gz XQLCXHCGXPLBCN-MWLCHTKSSA-N 2 2 240.297 2.195 20 0 BEADLP CC[NH+]1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC000355878016 356780173 /nfs/dbraw/zinc/78/01/73/356780173.db2.gz HEPWFMGHKMGBOK-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC000355878016 356780176 /nfs/dbraw/zinc/78/01/76/356780176.db2.gz HEPWFMGHKMGBOK-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CCC(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450467074 202174096 /nfs/dbraw/zinc/17/40/96/202174096.db2.gz KHULMFFBGCUZJR-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450467074 202174099 /nfs/dbraw/zinc/17/40/99/202174099.db2.gz KHULMFFBGCUZJR-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450467074 202174100 /nfs/dbraw/zinc/17/41/00/202174100.db2.gz KHULMFFBGCUZJR-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000450467074 202174103 /nfs/dbraw/zinc/17/41/03/202174103.db2.gz KHULMFFBGCUZJR-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450467072 202174313 /nfs/dbraw/zinc/17/43/13/202174313.db2.gz KHULMFFBGCUZJR-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000450467072 202174317 /nfs/dbraw/zinc/17/43/17/202174317.db2.gz KHULMFFBGCUZJR-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450467072 202174323 /nfs/dbraw/zinc/17/43/23/202174323.db2.gz KHULMFFBGCUZJR-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000450467072 202174327 /nfs/dbraw/zinc/17/43/27/202174327.db2.gz KHULMFFBGCUZJR-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000356864332 356807892 /nfs/dbraw/zinc/80/78/92/356807892.db2.gz KUWOKQFHKPMIKP-LBPRGKRZSA-N 2 2 247.386 2.389 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155853445 538736454 /nfs/dbraw/zinc/73/64/54/538736454.db2.gz IARFXIMQCRYLBA-VXGBXAGGSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155853445 538736462 /nfs/dbraw/zinc/73/64/62/538736462.db2.gz IARFXIMQCRYLBA-VXGBXAGGSA-N 2 2 238.400 2.363 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389553758 356988153 /nfs/dbraw/zinc/98/81/53/356988153.db2.gz QDGHNCHTYCZVPR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389553758 356988156 /nfs/dbraw/zinc/98/81/56/356988156.db2.gz QDGHNCHTYCZVPR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623395573 357018674 /nfs/dbraw/zinc/01/86/74/357018674.db2.gz QMFQWPAOUYYRRT-XBFCOCLRSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623395573 357018676 /nfs/dbraw/zinc/01/86/76/357018676.db2.gz QMFQWPAOUYYRRT-XBFCOCLRSA-N 2 2 224.392 2.351 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423233727 192642654 /nfs/dbraw/zinc/64/26/54/192642654.db2.gz KLFPBRSSSZVKAM-STQMWFEESA-N 2 2 233.359 2.264 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000166446994 538795776 /nfs/dbraw/zinc/79/57/76/538795776.db2.gz YKVUCMUUCYJBTK-CYBMUJFWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000157192086 538812891 /nfs/dbraw/zinc/81/28/91/538812891.db2.gz JQABIMGWLJDMDI-GMXVVIOVSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000157192086 538812896 /nfs/dbraw/zinc/81/28/96/538812896.db2.gz JQABIMGWLJDMDI-GMXVVIOVSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CSc1[nH+]cc2ccccn21)[NH+](C)C ZINC000358856396 134192650 /nfs/dbraw/zinc/19/26/50/134192650.db2.gz VQQABEPBVLYILW-SNVBAGLBSA-N 2 2 235.356 2.377 20 0 BEADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)cc2)c[nH+]1 ZINC000628407917 357205871 /nfs/dbraw/zinc/20/58/71/357205871.db2.gz PRKFFVADQGOJLP-OKILXGFUSA-N 2 2 239.322 2.324 20 0 BEADLP c1cn(-c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)c[nH+]1 ZINC000628407917 357205873 /nfs/dbraw/zinc/20/58/73/357205873.db2.gz PRKFFVADQGOJLP-OKILXGFUSA-N 2 2 239.322 2.324 20 0 BEADLP c1cn(-c2csc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)c2)c[nH+]1 ZINC000628410025 357214995 /nfs/dbraw/zinc/21/49/95/357214995.db2.gz DQIPBTIAVWXJRW-PHIMTYICSA-N 2 2 245.351 2.386 20 0 BEADLP c1cn(-c2csc(C[N@H+]3C[C@@H]4C[C@@H]4C3)c2)c[nH+]1 ZINC000628410025 357214998 /nfs/dbraw/zinc/21/49/98/357214998.db2.gz DQIPBTIAVWXJRW-PHIMTYICSA-N 2 2 245.351 2.386 20 0 BEADLP CCSCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610213142 357282468 /nfs/dbraw/zinc/28/24/68/357282468.db2.gz WSHRWQBPBHNWLO-GFCCVEGCSA-N 2 2 239.388 2.273 20 0 BEADLP CCSCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610213142 357282471 /nfs/dbraw/zinc/28/24/71/357282471.db2.gz WSHRWQBPBHNWLO-GFCCVEGCSA-N 2 2 239.388 2.273 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393453758 357310007 /nfs/dbraw/zinc/31/00/07/357310007.db2.gz AQSSUTLVWGMEDC-XQQFMLRXSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393453758 357310011 /nfs/dbraw/zinc/31/00/11/357310011.db2.gz AQSSUTLVWGMEDC-XQQFMLRXSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cccnc1C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000582556631 357343139 /nfs/dbraw/zinc/34/31/39/357343139.db2.gz MMEYFVHCTNDTIE-UHFFFAOYSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000582556631 357343144 /nfs/dbraw/zinc/34/31/44/357343144.db2.gz MMEYFVHCTNDTIE-UHFFFAOYSA-N 2 2 245.370 2.093 20 0 BEADLP CCC[C@]1([NH2+]CCc2cc[nH+]cc2C)CCOC1 ZINC000397542524 357573528 /nfs/dbraw/zinc/57/35/28/357573528.db2.gz YFGDQBWHBIJHPU-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)C1CCCC1 ZINC000397520892 357536473 /nfs/dbraw/zinc/53/64/73/357536473.db2.gz GVALGVNKAIELOZ-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP COCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000230647774 357544674 /nfs/dbraw/zinc/54/46/74/357544674.db2.gz YXRGJIXLPQPLRF-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000230647774 357544677 /nfs/dbraw/zinc/54/46/77/357544677.db2.gz YXRGJIXLPQPLRF-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000397547307 357590177 /nfs/dbraw/zinc/59/01/77/357590177.db2.gz UOHXDCLNPHFIMD-GJZGRUSLSA-N 2 2 246.354 2.090 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000159073482 538873559 /nfs/dbraw/zinc/87/35/59/538873559.db2.gz ZVDPQKLPBMJKQP-CHWSQXEVSA-N 2 2 248.370 2.092 20 0 BEADLP CSCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610368774 357817244 /nfs/dbraw/zinc/81/72/44/357817244.db2.gz MSZNBKWBCSWOPF-LBPRGKRZSA-N 2 2 239.388 2.273 20 0 BEADLP CSCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610368774 357817246 /nfs/dbraw/zinc/81/72/46/357817246.db2.gz MSZNBKWBCSWOPF-LBPRGKRZSA-N 2 2 239.388 2.273 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397882643 357781339 /nfs/dbraw/zinc/78/13/39/357781339.db2.gz ZPUVNRAUVYNTML-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)no1 ZINC000583316280 357898387 /nfs/dbraw/zinc/89/83/87/357898387.db2.gz DPJZNFFHVSBQME-LLVKDONJSA-N 2 2 225.336 2.022 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000583740341 357931612 /nfs/dbraw/zinc/93/16/12/357931612.db2.gz RRBYTTNDEKZUDE-LLVKDONJSA-N 2 2 242.313 2.428 20 0 BEADLP CCCCOCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584479686 357996741 /nfs/dbraw/zinc/99/67/41/357996741.db2.gz CPSSENYOWASUSX-UHFFFAOYSA-N 2 2 240.391 2.006 20 0 BEADLP CCCCOCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584479686 357996744 /nfs/dbraw/zinc/99/67/44/357996744.db2.gz CPSSENYOWASUSX-UHFFFAOYSA-N 2 2 240.391 2.006 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000168759074 134247673 /nfs/dbraw/zinc/24/76/73/134247673.db2.gz RSWHLDDYOOJHQD-QWRGUYRKSA-N 2 2 239.388 2.244 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000037466625 358070337 /nfs/dbraw/zinc/07/03/37/358070337.db2.gz GSFYSJOBTZEDPA-ZDUSSCGKSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000037466625 358070338 /nfs/dbraw/zinc/07/03/38/358070338.db2.gz GSFYSJOBTZEDPA-ZDUSSCGKSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[N@@H+]1C1CC1 ZINC000583871720 358074604 /nfs/dbraw/zinc/07/46/04/358074604.db2.gz YCCPLFNIDDYNJB-LPWJVIDDSA-N 2 2 240.366 2.482 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C[N@H+]1C1CC1 ZINC000583871720 358074608 /nfs/dbraw/zinc/07/46/08/358074608.db2.gz YCCPLFNIDDYNJB-LPWJVIDDSA-N 2 2 240.366 2.482 20 0 BEADLP CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCC1 ZINC000584666557 358122577 /nfs/dbraw/zinc/12/25/77/358122577.db2.gz YVUULVUNSLMTAS-UHFFFAOYSA-N 2 2 207.321 2.151 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682522 358342790 /nfs/dbraw/zinc/34/27/90/358342790.db2.gz BUKFEYJWBWULMS-TUAOUCFPSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682522 358342793 /nfs/dbraw/zinc/34/27/93/358342793.db2.gz BUKFEYJWBWULMS-TUAOUCFPSA-N 2 2 230.421 2.186 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000228128447 358369211 /nfs/dbraw/zinc/36/92/11/358369211.db2.gz PEYXXZNCRIEZQI-AEGPPILISA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132059622 358705665 /nfs/dbraw/zinc/70/56/65/358705665.db2.gz KZVOSBBGCYLGHT-BYCMXARLSA-N 3 2 247.386 2.061 20 0 BEADLP c1cc(O[C@H]2CC[N@@H+](CC3CCC3)C2)cc[nH+]1 ZINC000131838668 358696643 /nfs/dbraw/zinc/69/66/43/358696643.db2.gz DBLNROYWHIKMJC-AWEZNQCLSA-N 2 2 232.327 2.335 20 0 BEADLP c1cc(O[C@H]2CC[N@H+](CC3CCC3)C2)cc[nH+]1 ZINC000131838668 358696645 /nfs/dbraw/zinc/69/66/45/358696645.db2.gz DBLNROYWHIKMJC-AWEZNQCLSA-N 2 2 232.327 2.335 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133423266 358754537 /nfs/dbraw/zinc/75/45/37/358754537.db2.gz AMTQYTNSLAVMFY-BFHYXJOUSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000578237352 366466392 /nfs/dbraw/zinc/46/63/92/366466392.db2.gz JQRNDNFOJXRADY-ZRNPCAPESA-N 2 2 234.318 2.118 20 0 BEADLP C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000578237352 366466397 /nfs/dbraw/zinc/46/63/97/366466397.db2.gz JQRNDNFOJXRADY-ZRNPCAPESA-N 2 2 234.318 2.118 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000134841634 358807642 /nfs/dbraw/zinc/80/76/42/358807642.db2.gz NMAZHTIALYSFNM-ZIAGYGMSSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000134841653 358807998 /nfs/dbraw/zinc/80/79/98/358807998.db2.gz NMAZHTIALYSFNM-UONOGXRCSA-N 2 2 224.392 2.498 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000177820231 134300546 /nfs/dbraw/zinc/30/05/46/134300546.db2.gz MFWKCTASTRFBBH-CYBMUJFWSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000177820231 134300547 /nfs/dbraw/zinc/30/05/47/134300547.db2.gz MFWKCTASTRFBBH-CYBMUJFWSA-N 2 2 248.374 2.296 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143852 359042903 /nfs/dbraw/zinc/04/29/03/359042903.db2.gz ZAVMUHHKXVUGGO-WDEREUQCSA-N 2 2 238.379 2.010 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)[NH+](C)C ZINC000070347423 359050573 /nfs/dbraw/zinc/05/05/73/359050573.db2.gz RRWVRQWFYXYWFG-BFHYXJOUSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000070359627 359051161 /nfs/dbraw/zinc/05/11/61/359051161.db2.gz BEHSYTZNDZTVCY-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423323257 192706810 /nfs/dbraw/zinc/70/68/10/192706810.db2.gz OTHPXDJWBSKPOU-GWCFXTLKSA-N 2 2 234.343 2.083 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000074995902 359137528 /nfs/dbraw/zinc/13/75/28/359137528.db2.gz RTYBHEUPVDBXFH-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000074995902 359137530 /nfs/dbraw/zinc/13/75/30/359137530.db2.gz RTYBHEUPVDBXFH-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000074995902 359137535 /nfs/dbraw/zinc/13/75/35/359137535.db2.gz RTYBHEUPVDBXFH-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000074995902 359137537 /nfs/dbraw/zinc/13/75/37/359137537.db2.gz RTYBHEUPVDBXFH-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000284353920 359299057 /nfs/dbraw/zinc/29/90/57/359299057.db2.gz NLRHRJOORLWZKN-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000261558439 359350433 /nfs/dbraw/zinc/35/04/33/359350433.db2.gz SKDNKGPULNYEMB-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000261558439 359350435 /nfs/dbraw/zinc/35/04/35/359350435.db2.gz SKDNKGPULNYEMB-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP CCc1nc(NC[C@@H]2CCC[N@H+]2CC)cc(C)[nH+]1 ZINC000287030577 359536335 /nfs/dbraw/zinc/53/63/35/359536335.db2.gz QWSFJLMGNTWIGV-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(NC[C@@H]2CCC[N@@H+]2CC)cc(C)[nH+]1 ZINC000287030577 359536338 /nfs/dbraw/zinc/53/63/38/359536338.db2.gz QWSFJLMGNTWIGV-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000309007700 491142212 /nfs/dbraw/zinc/14/22/12/491142212.db2.gz QLUBRQJZFMKRCL-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000309007700 491142213 /nfs/dbraw/zinc/14/22/13/491142213.db2.gz QLUBRQJZFMKRCL-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309039577 491143165 /nfs/dbraw/zinc/14/31/65/491143165.db2.gz KLSNIDMQNGVWAR-RYUDHWBXSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)c1cc(N2CC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000045954593 359745543 /nfs/dbraw/zinc/74/55/43/359745543.db2.gz FAOQRBTVTXTIDN-LLVKDONJSA-N 2 2 248.374 2.261 20 0 BEADLP Cc1cc(NC2CC[NH+](C3CCC3)CC2)nc[nH+]1 ZINC000450882290 202296839 /nfs/dbraw/zinc/29/68/39/202296839.db2.gz TXHXHKQXFQLZIS-UHFFFAOYSA-N 2 2 246.358 2.214 20 0 BEADLP COc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721052 360085537 /nfs/dbraw/zinc/08/55/37/360085537.db2.gz AYYBMXHVSDFZNR-TZMCWYRMSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721052 360085539 /nfs/dbraw/zinc/08/55/39/360085539.db2.gz AYYBMXHVSDFZNR-TZMCWYRMSA-N 2 2 248.370 2.268 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000090721751 360085652 /nfs/dbraw/zinc/08/56/52/360085652.db2.gz RYJCDDDPLWMCRU-PWSUYJOCSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000090721751 360085654 /nfs/dbraw/zinc/08/56/54/360085654.db2.gz RYJCDDDPLWMCRU-PWSUYJOCSA-N 2 2 222.332 2.160 20 0 BEADLP C[NH+](C)C1CC[NH+](Cc2ccsc2)CC1 ZINC000091671894 360123190 /nfs/dbraw/zinc/12/31/90/360123190.db2.gz RHUQXCDAVIFDOB-UHFFFAOYSA-N 2 2 224.373 2.274 20 0 BEADLP CC[C@@H](C)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000093054235 360212423 /nfs/dbraw/zinc/21/24/23/360212423.db2.gz NLJCCVYFIYIETB-MGPQQGTHSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000309402344 491148720 /nfs/dbraw/zinc/14/87/20/491148720.db2.gz WNSJNETWQICULV-FPMFFAJLSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+](C)C ZINC000449557423 200690294 /nfs/dbraw/zinc/69/02/94/200690294.db2.gz RCRBOPIFACWVOL-CYZMBNFOSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000309606415 491152285 /nfs/dbraw/zinc/15/22/85/491152285.db2.gz YTGJRQUIDVMOMP-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000309606415 491152286 /nfs/dbraw/zinc/15/22/86/491152286.db2.gz YTGJRQUIDVMOMP-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414926032 200782493 /nfs/dbraw/zinc/78/24/93/200782493.db2.gz IWURBNVYTPRATD-SECBINFHSA-N 2 2 239.388 2.238 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629394837 361042990 /nfs/dbraw/zinc/04/29/90/361042990.db2.gz MNFSCLCHEPUABT-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(C)c1 ZINC000629390679 361045877 /nfs/dbraw/zinc/04/58/77/361045877.db2.gz LTRWFNOXNGQEPK-UONOGXRCSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000629405399 361052470 /nfs/dbraw/zinc/05/24/70/361052470.db2.gz AAVUBMCRTIXLPI-QPUJVOFHSA-N 2 2 242.725 2.319 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000629402875 361052948 /nfs/dbraw/zinc/05/29/48/361052948.db2.gz GHVVQPKFOGGBKA-XDHNQJSPSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000629406161 361053620 /nfs/dbraw/zinc/05/36/20/361053620.db2.gz OLFIOLNSUAQFHV-JOYOIKCWSA-N 2 2 224.735 2.180 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000629406283 361054175 /nfs/dbraw/zinc/05/41/75/361054175.db2.gz LUSDSGGJKFVXBX-SMDDNHRTSA-N 2 2 241.338 2.075 20 0 BEADLP CCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629405792 361054199 /nfs/dbraw/zinc/05/41/99/361054199.db2.gz GFBXLBKKGHIICL-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000629406938 361054920 /nfs/dbraw/zinc/05/49/20/361054920.db2.gz RDBUSCYRVDPWOX-QPUJVOFHSA-N 2 2 242.725 2.319 20 0 BEADLP CCC[C@@H](C)CCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000629505882 361101184 /nfs/dbraw/zinc/10/11/84/361101184.db2.gz PTUIFECXOMKVHY-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)CCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000629505882 361101188 /nfs/dbraw/zinc/10/11/88/361101188.db2.gz PTUIFECXOMKVHY-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000629528442 361137444 /nfs/dbraw/zinc/13/74/44/361137444.db2.gz ZHMKRWXBHFUIAH-MJBXVCDLSA-N 2 2 245.370 2.189 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000629524670 361125699 /nfs/dbraw/zinc/12/56/99/361125699.db2.gz SQOUWIGUWXYUFH-KWCYVHTRSA-N 2 2 218.344 2.478 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000309715890 491154848 /nfs/dbraw/zinc/15/48/48/491154848.db2.gz YULUYGFHMSUCIU-XBFCOCLRSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000309715890 491154849 /nfs/dbraw/zinc/15/48/49/491154849.db2.gz YULUYGFHMSUCIU-XBFCOCLRSA-N 2 2 222.376 2.247 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)n1 ZINC000309724349 491155058 /nfs/dbraw/zinc/15/50/58/491155058.db2.gz CRJPAKMKFRPIGB-ONGXEEELSA-N 2 2 241.404 2.442 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccncc1F ZINC000578994753 366689984 /nfs/dbraw/zinc/68/99/84/366689984.db2.gz ODKIZIKJBBRTEP-NSHDSACASA-N 2 2 239.338 2.259 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000579137396 366722013 /nfs/dbraw/zinc/72/20/13/366722013.db2.gz AZERKVAZAUYTKR-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000579137396 366722015 /nfs/dbraw/zinc/72/20/15/366722015.db2.gz AZERKVAZAUYTKR-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309822886 491157306 /nfs/dbraw/zinc/15/73/06/491157306.db2.gz WSOWRVCXUOJQJZ-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429435046 201108172 /nfs/dbraw/zinc/10/81/72/201108172.db2.gz INQIIYWXLHDUIO-KWCYVHTRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429435046 201108174 /nfs/dbraw/zinc/10/81/74/201108174.db2.gz INQIIYWXLHDUIO-KWCYVHTRSA-N 2 2 234.387 2.391 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC000342148660 181332695 /nfs/dbraw/zinc/33/26/95/181332695.db2.gz XQCTUZYUNRHHTE-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629542831 361420641 /nfs/dbraw/zinc/42/06/41/361420641.db2.gz MZISAKBEUCMTJQ-DYEKYZERSA-N 2 2 233.359 2.181 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544671 361422919 /nfs/dbraw/zinc/42/29/19/361422919.db2.gz BKIMDRHIVVWBDS-MBNYWOFBSA-N 2 2 218.344 2.396 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629544679 361423081 /nfs/dbraw/zinc/42/30/81/361423081.db2.gz BOCFCFVSMAIWBI-COPLHBTASA-N 2 2 234.343 2.096 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629544680 361423504 /nfs/dbraw/zinc/42/35/04/361423504.db2.gz BOCFCFVSMAIWBI-UHIISALHSA-N 2 2 234.343 2.096 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cs1 ZINC000629548290 361433047 /nfs/dbraw/zinc/43/30/47/361433047.db2.gz YUWGCMSEBBLTTR-JFGNBEQYSA-N 2 2 224.373 2.458 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2ccccc21 ZINC000629548902 361434145 /nfs/dbraw/zinc/43/41/45/361434145.db2.gz RWOWOAUVHPQPOQ-IACUBPJLSA-N 2 2 246.354 2.240 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629549464 361441518 /nfs/dbraw/zinc/44/15/18/361441518.db2.gz WBNSGTAQGCRNPO-HBNTYKKESA-N 2 2 224.373 2.458 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000629557183 361445286 /nfs/dbraw/zinc/44/52/86/361445286.db2.gz WTMZAYLJVUZZDB-CYBMUJFWSA-N 2 2 222.307 2.094 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H]1CCc2ccc(F)cc21 ZINC000629557183 361445292 /nfs/dbraw/zinc/44/52/92/361445292.db2.gz WTMZAYLJVUZZDB-CYBMUJFWSA-N 2 2 222.307 2.094 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000629589413 361477045 /nfs/dbraw/zinc/47/70/45/361477045.db2.gz WDSAMJPUYDWMMO-XHDPSFHLSA-N 2 2 230.355 2.404 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(OCC2CC2)cc1 ZINC000629651548 361557558 /nfs/dbraw/zinc/55/75/58/361557558.db2.gz STTDOPJJRXFUGB-UHFFFAOYSA-N 2 2 248.370 2.256 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCC2CC2)cc1 ZINC000629651548 361557560 /nfs/dbraw/zinc/55/75/60/361557560.db2.gz STTDOPJJRXFUGB-UHFFFAOYSA-N 2 2 248.370 2.256 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(COC)o1 ZINC000629647927 361539469 /nfs/dbraw/zinc/53/94/69/361539469.db2.gz KRLFHNOUSXRYDU-UHFFFAOYSA-N 2 2 240.347 2.033 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629659776 361564270 /nfs/dbraw/zinc/56/42/70/361564270.db2.gz GTQPDJHTPKMLHH-ZFWWWQNUSA-N 2 2 247.386 2.053 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c[nH+]1 ZINC000629659776 361564277 /nfs/dbraw/zinc/56/42/77/361564277.db2.gz GTQPDJHTPKMLHH-ZFWWWQNUSA-N 3 2 247.386 2.053 20 0 BEADLP C[NH2+]c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000629652652 361551837 /nfs/dbraw/zinc/55/18/37/361551837.db2.gz BBYPGJFHFFMPNJ-MFKMUULPSA-N 2 2 219.332 2.410 20 0 BEADLP COc1cccc2c1C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000629661927 361594882 /nfs/dbraw/zinc/59/48/82/361594882.db2.gz FGYFTJMAJTZKRT-HNNXBMFYSA-N 2 2 246.354 2.010 20 0 BEADLP COc1cccc2c1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000629661927 361594884 /nfs/dbraw/zinc/59/48/84/361594884.db2.gz FGYFTJMAJTZKRT-HNNXBMFYSA-N 2 2 246.354 2.010 20 0 BEADLP CCCc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000435375680 201265689 /nfs/dbraw/zinc/26/56/89/201265689.db2.gz NLUUBYHJJJWTSF-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCCc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000435375680 201265691 /nfs/dbraw/zinc/26/56/91/201265691.db2.gz NLUUBYHJJJWTSF-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000435880541 201292215 /nfs/dbraw/zinc/29/22/15/201292215.db2.gz PMMXPISIFUKZLC-ZFWWWQNUSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000435880541 201292219 /nfs/dbraw/zinc/29/22/19/201292219.db2.gz PMMXPISIFUKZLC-ZFWWWQNUSA-N 2 2 248.370 2.058 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000154630902 201287614 /nfs/dbraw/zinc/28/76/14/201287614.db2.gz INXUPZBWZUDTNO-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000154630902 201287618 /nfs/dbraw/zinc/28/76/18/201287618.db2.gz INXUPZBWZUDTNO-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398959891 364280153 /nfs/dbraw/zinc/28/01/53/364280153.db2.gz LPQMHQOUFFHQEH-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[NH2+]1 ZINC000398968332 364376966 /nfs/dbraw/zinc/37/69/66/364376966.db2.gz SYKISTVYULVPOF-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000398964581 364379370 /nfs/dbraw/zinc/37/93/70/364379370.db2.gz PPRXCIIUNWHWHN-BZPMIXESSA-N 2 2 218.344 2.478 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453102180 202701257 /nfs/dbraw/zinc/70/12/57/202701257.db2.gz XIOBZRIACOFXSC-CQSZACIVSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453102180 202701260 /nfs/dbraw/zinc/70/12/60/202701260.db2.gz XIOBZRIACOFXSC-CQSZACIVSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399015896 364722621 /nfs/dbraw/zinc/72/26/21/364722621.db2.gz DWONESDLNIYMIO-SWLSCSKDSA-N 2 2 232.371 2.479 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000336897824 364851215 /nfs/dbraw/zinc/85/12/15/364851215.db2.gz PTCZYYGGMJQRKG-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000336897824 364851220 /nfs/dbraw/zinc/85/12/20/364851220.db2.gz PTCZYYGGMJQRKG-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097930839 541394036 /nfs/dbraw/zinc/39/40/36/541394036.db2.gz ZSWSDHJISKJXAJ-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000335005423 541419363 /nfs/dbraw/zinc/41/93/63/541419363.db2.gz AWWCSAWEADXJJL-GXTWGEPZSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000335005423 541419367 /nfs/dbraw/zinc/41/93/67/541419367.db2.gz AWWCSAWEADXJJL-GXTWGEPZSA-N 2 2 249.358 2.120 20 0 BEADLP C[C@H]1C[NH+](CCCn2cc[nH+]c2)C[C@H](C)S1 ZINC000574227499 365015399 /nfs/dbraw/zinc/01/53/99/365015399.db2.gz VJAHQFNWLQRMPG-RYUDHWBXSA-N 2 2 239.388 2.099 20 0 BEADLP CCCC[C@H]([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000442966503 193008320 /nfs/dbraw/zinc/00/83/20/193008320.db2.gz MEXQEHFYFUCBGX-VHSXEESVSA-N 2 2 240.351 2.306 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)c(F)c2)n1C ZINC000575138743 365219756 /nfs/dbraw/zinc/21/97/56/365219756.db2.gz LERZYYUDIVBJBA-UHFFFAOYSA-N 2 2 247.317 2.466 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000379781842 365258201 /nfs/dbraw/zinc/25/82/01/365258201.db2.gz CQGCUQFUCVOJEC-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000182275391 366880790 /nfs/dbraw/zinc/88/07/90/366880790.db2.gz SLPPZRPODRXUSG-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP COCC(C)(C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000174341389 365483312 /nfs/dbraw/zinc/48/33/12/365483312.db2.gz MGVQVKOYOZOTEM-UHFFFAOYSA-N 2 2 247.342 2.157 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182804255 366944481 /nfs/dbraw/zinc/94/44/81/366944481.db2.gz SOWNTFBEEJNCOW-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182804255 366944486 /nfs/dbraw/zinc/94/44/86/366944486.db2.gz SOWNTFBEEJNCOW-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000183169036 366983714 /nfs/dbraw/zinc/98/37/14/366983714.db2.gz XVWFCDFMYRIKLP-UHFFFAOYSA-N 2 2 233.359 2.394 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000183169036 366983722 /nfs/dbraw/zinc/98/37/22/366983722.db2.gz XVWFCDFMYRIKLP-UHFFFAOYSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000382991482 367582716 /nfs/dbraw/zinc/58/27/16/367582716.db2.gz ALFSDDXSKSKQRY-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000382991482 367582723 /nfs/dbraw/zinc/58/27/23/367582723.db2.gz ALFSDDXSKSKQRY-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@H](C)C[NH3+])s1 ZINC000383002671 367584068 /nfs/dbraw/zinc/58/40/68/367584068.db2.gz WLHKUMOSDUIHMV-SECBINFHSA-N 2 2 212.362 2.090 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])s1 ZINC000383002671 367584074 /nfs/dbraw/zinc/58/40/74/367584074.db2.gz WLHKUMOSDUIHMV-SECBINFHSA-N 2 2 212.362 2.090 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000383017169 367585641 /nfs/dbraw/zinc/58/56/41/367585641.db2.gz KJVNBWDUSLQVJT-NSHDSACASA-N 2 2 248.370 2.179 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000383017169 367585649 /nfs/dbraw/zinc/58/56/49/367585649.db2.gz KJVNBWDUSLQVJT-NSHDSACASA-N 2 2 248.370 2.179 20 0 BEADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CC1(F)CC1 ZINC000581595591 367621820 /nfs/dbraw/zinc/62/18/20/367621820.db2.gz WHIZBGVRVYFEFO-ZDUSSCGKSA-N 2 2 236.334 2.341 20 0 BEADLP Cc1ccsc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000383575131 367640996 /nfs/dbraw/zinc/64/09/96/367640996.db2.gz GDZCLPBEZRYWHO-UHFFFAOYSA-N 2 2 224.373 2.370 20 0 BEADLP Cc1ccsc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000383575131 367641000 /nfs/dbraw/zinc/64/10/00/367641000.db2.gz GDZCLPBEZRYWHO-UHFFFAOYSA-N 2 2 224.373 2.370 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000384126934 367673070 /nfs/dbraw/zinc/67/30/70/367673070.db2.gz PGMZIKAYGAYIIT-RWMBFGLXSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000384126934 367673075 /nfs/dbraw/zinc/67/30/75/367673075.db2.gz PGMZIKAYGAYIIT-RWMBFGLXSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C[NH2+]1 ZINC000399150955 367691691 /nfs/dbraw/zinc/69/16/91/367691691.db2.gz ZDYHQIABOMTLJV-OSAQELSMSA-N 2 2 230.355 2.404 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000384733431 367724007 /nfs/dbraw/zinc/72/40/07/367724007.db2.gz BNSSSCZNHZZZDB-RUULKOMLSA-N 2 2 208.349 2.167 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000384733431 367724016 /nfs/dbraw/zinc/72/40/16/367724016.db2.gz BNSSSCZNHZZZDB-RUULKOMLSA-N 2 2 208.349 2.167 20 0 BEADLP COCc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385342836 367821027 /nfs/dbraw/zinc/82/10/27/367821027.db2.gz SQAPGXKORXTWGG-UHFFFAOYSA-N 2 2 248.370 2.146 20 0 BEADLP COCc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385342836 367821034 /nfs/dbraw/zinc/82/10/34/367821034.db2.gz SQAPGXKORXTWGG-UHFFFAOYSA-N 2 2 248.370 2.146 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385371317 367823503 /nfs/dbraw/zinc/82/35/03/367823503.db2.gz XMQHUBFUBOCSAF-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385371317 367823506 /nfs/dbraw/zinc/82/35/06/367823506.db2.gz XMQHUBFUBOCSAF-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399239751 367911261 /nfs/dbraw/zinc/91/12/61/367911261.db2.gz IJBKQAJJIDTNMH-QWRGUYRKSA-N 2 2 224.373 2.287 20 0 BEADLP CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386451707 367975241 /nfs/dbraw/zinc/97/52/41/367975241.db2.gz OAPAHCAZBHSMTQ-KBPBESRZSA-N 2 2 242.407 2.169 20 0 BEADLP CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386451711 367976103 /nfs/dbraw/zinc/97/61/03/367976103.db2.gz OAPAHCAZBHSMTQ-UONOGXRCSA-N 2 2 242.407 2.169 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399243988 368044855 /nfs/dbraw/zinc/04/48/55/368044855.db2.gz VKHXVZAEENMGDY-GXTWGEPZSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000399252683 368054855 /nfs/dbraw/zinc/05/48/55/368054855.db2.gz LXMULPCDBOFGJW-KOLCDFICSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(F)cccc1F ZINC000084946322 368860372 /nfs/dbraw/zinc/86/03/72/368860372.db2.gz UYGZWHBHMGJXRV-UWVGGRQHSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(F)cccc1F ZINC000084946322 368860380 /nfs/dbraw/zinc/86/03/80/368860380.db2.gz UYGZWHBHMGJXRV-UWVGGRQHSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1F ZINC000113522167 368893970 /nfs/dbraw/zinc/89/39/70/368893970.db2.gz WDZOPMSMXXXIFP-JOYOIKCWSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1F ZINC000113522167 368893976 /nfs/dbraw/zinc/89/39/76/368893976.db2.gz WDZOPMSMXXXIFP-JOYOIKCWSA-N 2 2 240.297 2.276 20 0 BEADLP Cc1cc(C)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c(C)[nH+]1 ZINC000631827503 368995346 /nfs/dbraw/zinc/99/53/46/368995346.db2.gz PLTCGBYRSYWGAG-STQMWFEESA-N 2 2 247.386 2.189 20 0 BEADLP Cc1ncccc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834581 369030839 /nfs/dbraw/zinc/03/08/39/369030839.db2.gz ARRDITWNMPSPFP-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ncccc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834581 369030847 /nfs/dbraw/zinc/03/08/47/369030847.db2.gz ARRDITWNMPSPFP-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP CCCC[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459297718 203250186 /nfs/dbraw/zinc/25/01/86/203250186.db2.gz JWDJFRVMKHBWFK-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP CCCC[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459297718 203250190 /nfs/dbraw/zinc/25/01/90/203250190.db2.gz JWDJFRVMKHBWFK-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H]1CCC[C@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297579 203250568 /nfs/dbraw/zinc/25/05/68/203250568.db2.gz JLYJUWOQIYIALJ-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[C@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297579 203250571 /nfs/dbraw/zinc/25/05/71/203250571.db2.gz JLYJUWOQIYIALJ-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459381523 203272218 /nfs/dbraw/zinc/27/22/18/203272218.db2.gz CMLUKFXBOFASFJ-WXRRBKDZSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459381523 203272222 /nfs/dbraw/zinc/27/22/22/203272222.db2.gz CMLUKFXBOFASFJ-WXRRBKDZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433446 203281057 /nfs/dbraw/zinc/28/10/57/203281057.db2.gz UOERNUDTBDUNHD-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433446 203281059 /nfs/dbraw/zinc/28/10/59/203281059.db2.gz UOERNUDTBDUNHD-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)[N@H+](CCc1c[nH+]cn1C)CC1CCC1 ZINC000459429607 203281194 /nfs/dbraw/zinc/28/11/94/203281194.db2.gz PRBOKUMMPKSQHC-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)CC1CCC1 ZINC000459429607 203281196 /nfs/dbraw/zinc/28/11/96/203281196.db2.gz PRBOKUMMPKSQHC-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459452969 203283406 /nfs/dbraw/zinc/28/34/06/203283406.db2.gz ZHVZOGZOKQNFQB-ZDUSSCGKSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459452969 203283409 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203333858 /nfs/dbraw/zinc/33/38/58/203333858.db2.gz GPRQAEUIEDZABB-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000459733363 203343980 /nfs/dbraw/zinc/34/39/80/203343980.db2.gz APLWADVCUOARFE-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000459733363 203343984 /nfs/dbraw/zinc/34/39/84/203343984.db2.gz APLWADVCUOARFE-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[N@@H+]1C1CC1 ZINC000459779854 203366393 /nfs/dbraw/zinc/36/63/93/203366393.db2.gz WYSQNCODKGTYHZ-RKEKIRQTSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[N@H+]1C1CC1 ZINC000459779854 203366395 /nfs/dbraw/zinc/36/63/95/203366395.db2.gz WYSQNCODKGTYHZ-RKEKIRQTSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1ccsc1 ZINC000631862496 369549949 /nfs/dbraw/zinc/54/99/49/369549949.db2.gz QBQDWNPEXLYJPA-ZYHUDNBSSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1ccsc1 ZINC000631862496 369549952 /nfs/dbraw/zinc/54/99/52/369549952.db2.gz QBQDWNPEXLYJPA-ZYHUDNBSSA-N 2 2 224.373 2.102 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862516 369552674 /nfs/dbraw/zinc/55/26/74/369552674.db2.gz QHLLLUMUCQPITK-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862516 369552679 /nfs/dbraw/zinc/55/26/79/369552679.db2.gz QHLLLUMUCQPITK-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2o1 ZINC000631863088 369596682 /nfs/dbraw/zinc/59/66/82/369596682.db2.gz XKKSFSHFSZHWNX-CMPLNLGQSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cc2ccccc2o1 ZINC000631863088 369596686 /nfs/dbraw/zinc/59/66/86/369596686.db2.gz XKKSFSHFSZHWNX-CMPLNLGQSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2o1 ZINC000631863094 369597882 /nfs/dbraw/zinc/59/78/82/369597882.db2.gz XKKSFSHFSZHWNX-PWSUYJOCSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cc2ccccc2o1 ZINC000631863094 369597886 /nfs/dbraw/zinc/59/78/86/369597886.db2.gz XKKSFSHFSZHWNX-PWSUYJOCSA-N 2 2 230.311 2.354 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c(C)c1 ZINC000631863375 369607906 /nfs/dbraw/zinc/60/79/06/369607906.db2.gz ZQCDIEMGBPORTE-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c(C)c1 ZINC000631863375 369607910 /nfs/dbraw/zinc/60/79/10/369607910.db2.gz ZQCDIEMGBPORTE-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000621739803 370496990 /nfs/dbraw/zinc/49/69/90/370496990.db2.gz YLLJKMWTMHGBIU-YFTKGUKSSA-N 2 2 222.376 2.105 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000621739803 370496994 /nfs/dbraw/zinc/49/69/94/370496994.db2.gz YLLJKMWTMHGBIU-YFTKGUKSSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(C)n1 ZINC000621784102 370536299 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Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)n1 ZINC000624270290 371451100 /nfs/dbraw/zinc/45/11/00/371451100.db2.gz DYOPRTNQWBYDNU-JSGCOSHPSA-N 2 2 247.386 2.443 20 0 BEADLP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000624271840 371452600 /nfs/dbraw/zinc/45/26/00/371452600.db2.gz HLRSQKWFUNCBST-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000624271840 371452604 /nfs/dbraw/zinc/45/26/04/371452604.db2.gz HLRSQKWFUNCBST-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624270464 371452784 /nfs/dbraw/zinc/45/27/84/371452784.db2.gz VAASVWKEKPBWRM-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624270464 371452788 /nfs/dbraw/zinc/45/27/88/371452788.db2.gz VAASVWKEKPBWRM-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624270463 371453218 /nfs/dbraw/zinc/45/32/18/371453218.db2.gz VAASVWKEKPBWRM-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624270463 371453222 /nfs/dbraw/zinc/45/32/22/371453222.db2.gz VAASVWKEKPBWRM-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755099 372559200 /nfs/dbraw/zinc/55/92/00/372559200.db2.gz YGOFLRYMHBYRAS-QCNRFFRDSA-N 2 2 248.292 2.010 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755099 372559205 /nfs/dbraw/zinc/55/92/05/372559205.db2.gz YGOFLRYMHBYRAS-QCNRFFRDSA-N 2 2 248.292 2.010 20 0 BEADLP C[NH2+][C@H]1CCCN(Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000631820847 372593658 /nfs/dbraw/zinc/59/36/58/372593658.db2.gz IMLNRFAQMCBPTP-AWEZNQCLSA-N 2 2 247.386 2.191 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000631827325 372607667 /nfs/dbraw/zinc/60/76/67/372607667.db2.gz LTHZOKWXZSPFNL-QJPTWQEYSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000631827325 372607671 /nfs/dbraw/zinc/60/76/71/372607671.db2.gz LTHZOKWXZSPFNL-QJPTWQEYSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000631827327 372607850 /nfs/dbraw/zinc/60/78/50/372607850.db2.gz LTHZOKWXZSPFNL-SRVKXCTJSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000631827327 372607851 /nfs/dbraw/zinc/60/78/51/372607851.db2.gz LTHZOKWXZSPFNL-SRVKXCTJSA-N 2 2 244.329 2.106 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834445 372618205 /nfs/dbraw/zinc/61/82/05/372618205.db2.gz XJTUKVPYGJJBHC-GXTWGEPZSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834445 372618212 /nfs/dbraw/zinc/61/82/12/372618212.db2.gz XJTUKVPYGJJBHC-GXTWGEPZSA-N 2 2 233.359 2.346 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861299 372661547 /nfs/dbraw/zinc/66/15/47/372661547.db2.gz YVYCTCHRMKETQZ-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861299 372661554 /nfs/dbraw/zinc/66/15/54/372661554.db2.gz YVYCTCHRMKETQZ-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861556 372661833 /nfs/dbraw/zinc/66/18/33/372661833.db2.gz DHCBVCLXUYVERH-PWSUYJOCSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861556 372661836 /nfs/dbraw/zinc/66/18/36/372661836.db2.gz DHCBVCLXUYVERH-PWSUYJOCSA-N 2 2 236.384 2.330 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631860803 372662332 /nfs/dbraw/zinc/66/23/32/372662332.db2.gz PRNVVGIQJHRSNN-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631860803 372662338 /nfs/dbraw/zinc/66/23/38/372662338.db2.gz PRNVVGIQJHRSNN-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP COc1ccccc1CCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862603 372664636 /nfs/dbraw/zinc/66/46/36/372664636.db2.gz ROMRXHLSCYZXAP-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1CCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862603 372664645 /nfs/dbraw/zinc/66/46/45/372664645.db2.gz ROMRXHLSCYZXAP-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631863217 372665120 /nfs/dbraw/zinc/66/51/20/372665120.db2.gz YGMOGIYRYRXAHA-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631863217 372665122 /nfs/dbraw/zinc/66/51/22/372665122.db2.gz YGMOGIYRYRXAHA-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631863215 372666840 /nfs/dbraw/zinc/66/68/40/372666840.db2.gz YGMOGIYRYRXAHA-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631863215 372666842 /nfs/dbraw/zinc/66/68/42/372666842.db2.gz YGMOGIYRYRXAHA-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP Fc1cccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631867879 372669624 /nfs/dbraw/zinc/66/96/24/372669624.db2.gz NLBPGPSPKZYIRC-OCCSQVGLSA-N 2 2 234.318 2.057 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]C2CC2)c1 ZINC000069473178 373293878 /nfs/dbraw/zinc/29/38/78/373293878.db2.gz YHKKFDQZVPCBEP-UHFFFAOYSA-N 2 2 227.311 2.339 20 0 BEADLP C[C@@H]([NH3+])c1ccc(-c2[nH+]ccn2C)cc1 ZINC000069631266 373556468 /nfs/dbraw/zinc/55/64/68/373556468.db2.gz JFGKZAAVQDVYCL-SECBINFHSA-N 2 2 201.273 2.107 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H](CC[NH3+])C(F)F ZINC000415001380 205799659 /nfs/dbraw/zinc/79/96/59/205799659.db2.gz YAZWDWMZASMKAZ-GMTAPVOTSA-N 2 2 234.334 2.385 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424193639 206034326 /nfs/dbraw/zinc/03/43/26/206034326.db2.gz KMCZYSICOOMDDU-DEQVHRJGSA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424193639 206034328 /nfs/dbraw/zinc/03/43/28/206034328.db2.gz KMCZYSICOOMDDU-DEQVHRJGSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459467532 206129058 /nfs/dbraw/zinc/12/90/58/206129058.db2.gz KOHNBKQZCNMTBD-NEPJUHHUSA-N 2 2 221.348 2.226 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459467532 206129063 /nfs/dbraw/zinc/12/90/63/206129063.db2.gz KOHNBKQZCNMTBD-NEPJUHHUSA-N 2 2 221.348 2.226 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)[C@@H](C)C1 ZINC000459652966 206135601 /nfs/dbraw/zinc/13/56/01/206135601.db2.gz ANMXTZRTKZTTSE-DGAVXFQQSA-N 2 2 224.392 2.351 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)[C@@H](C)C1 ZINC000459652966 206135605 /nfs/dbraw/zinc/13/56/05/206135605.db2.gz ANMXTZRTKZTTSE-DGAVXFQQSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000224543464 259576047 /nfs/dbraw/zinc/57/60/47/259576047.db2.gz WJAYDWJDVBWZJV-QKCSRTOESA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000224543464 259576049 /nfs/dbraw/zinc/57/60/49/259576049.db2.gz WJAYDWJDVBWZJV-QKCSRTOESA-N 2 2 222.376 2.390 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccnc1 ZINC000290368262 169156019 /nfs/dbraw/zinc/15/60/19/169156019.db2.gz HGVABDGUSYEMOY-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccnc1 ZINC000290368262 169156021 /nfs/dbraw/zinc/15/60/21/169156021.db2.gz HGVABDGUSYEMOY-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP CCC[N@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071314649 169177413 /nfs/dbraw/zinc/17/74/13/169177413.db2.gz ZPFNSVZAXDRQPT-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071314649 169177415 /nfs/dbraw/zinc/17/74/15/169177415.db2.gz ZPFNSVZAXDRQPT-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340393122 169199617 /nfs/dbraw/zinc/19/96/17/169199617.db2.gz JGQBXUOWNHQEMQ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340393122 169199618 /nfs/dbraw/zinc/19/96/18/169199618.db2.gz JGQBXUOWNHQEMQ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP c1cn(C2CC[NH+](Cc3ccncc3)CC2)c[nH+]1 ZINC000176912539 183340503 /nfs/dbraw/zinc/34/05/03/183340503.db2.gz NVOXIGIOILNTKR-UHFFFAOYSA-N 2 2 242.326 2.115 20 0 BEADLP c1c[nH+]c(CNc2cccc(C3CC3)[nH+]2)[nH]1 ZINC000292930522 183359067 /nfs/dbraw/zinc/35/90/67/183359067.db2.gz IXDBJJJQMMFCSM-UHFFFAOYSA-N 2 2 214.272 2.294 20 0 BEADLP CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000037537059 169255288 /nfs/dbraw/zinc/25/52/88/169255288.db2.gz MLMDEQFCUHOAHO-UHFFFAOYSA-N 2 2 233.359 2.046 20 0 BEADLP c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063188479 183396068 /nfs/dbraw/zinc/39/60/68/183396068.db2.gz DTZSZIPXCASWMP-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063188479 183396070 /nfs/dbraw/zinc/39/60/70/183396070.db2.gz DTZSZIPXCASWMP-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000052921797 169324962 /nfs/dbraw/zinc/32/49/62/169324962.db2.gz UBGPLVKPDNANIE-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000052921797 169324963 /nfs/dbraw/zinc/32/49/63/169324963.db2.gz UBGPLVKPDNANIE-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347184822 169325279 /nfs/dbraw/zinc/32/52/79/169325279.db2.gz YTNBXHPSVZYHNA-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347184822 169325280 /nfs/dbraw/zinc/32/52/80/169325280.db2.gz YTNBXHPSVZYHNA-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C)n2)CC1 ZINC000342650666 535459240 /nfs/dbraw/zinc/45/92/40/535459240.db2.gz YDFILSJCEAQJDL-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C)n2)CC1 ZINC000342650666 535459246 /nfs/dbraw/zinc/45/92/46/535459246.db2.gz YDFILSJCEAQJDL-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000226412455 134365808 /nfs/dbraw/zinc/36/58/08/134365808.db2.gz DFEIRBCUIXUMDX-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226412455 134365809 /nfs/dbraw/zinc/36/58/09/134365809.db2.gz DFEIRBCUIXUMDX-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400356495 533009390 /nfs/dbraw/zinc/00/93/90/533009390.db2.gz BJDCPAXWYXNAND-SCRDCRAPSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000235213661 383854451 /nfs/dbraw/zinc/85/44/51/383854451.db2.gz KHNLETAAUDAXKH-MWLCHTKSSA-N 2 2 210.346 2.151 20 0 BEADLP COCc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000088567092 383912772 /nfs/dbraw/zinc/91/27/72/383912772.db2.gz KPJKFLAUQYIBSB-UHFFFAOYSA-N 2 2 248.370 2.018 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cscn1 ZINC000643543547 383983621 /nfs/dbraw/zinc/98/36/21/383983621.db2.gz ZLGWKBUZHJWGQY-GXSJLCMTSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cscn1 ZINC000643543549 383984369 /nfs/dbraw/zinc/98/43/69/383984369.db2.gz ZLGWKBUZHJWGQY-MWLCHTKSSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@@H](Cc1ccsc1)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000569416421 383997310 /nfs/dbraw/zinc/99/73/10/383997310.db2.gz URQBELVGSIRPQF-NSHDSACASA-N 2 2 247.367 2.391 20 0 BEADLP C[C@@H](Cc1ccsc1)[N@H+]1CCn2c[nH+]cc2C1 ZINC000569416421 383997315 /nfs/dbraw/zinc/99/73/15/383997315.db2.gz URQBELVGSIRPQF-NSHDSACASA-N 2 2 247.367 2.391 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000163179341 384067177 /nfs/dbraw/zinc/06/71/77/384067177.db2.gz HOAMFVHGEWLZHW-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000163179341 384067184 /nfs/dbraw/zinc/06/71/84/384067184.db2.gz HOAMFVHGEWLZHW-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP CC(C)c1[nH+]ccn1CCCn1cc[nH+]c1 ZINC000070423058 384105786 /nfs/dbraw/zinc/10/57/86/384105786.db2.gz LEKLHTZWSRDWMA-UHFFFAOYSA-N 2 2 218.304 2.293 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235343787 384153649 /nfs/dbraw/zinc/15/36/49/384153649.db2.gz JXNLTSXVMFUDCH-OCCSQVGLSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235343787 384153652 /nfs/dbraw/zinc/15/36/52/384153652.db2.gz JXNLTSXVMFUDCH-OCCSQVGLSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccoc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091671301 384138613 /nfs/dbraw/zinc/13/86/13/384138613.db2.gz XLSIKWMPAMUIHP-UHFFFAOYSA-N 2 2 222.332 2.114 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000309776187 384170848 /nfs/dbraw/zinc/17/08/48/384170848.db2.gz LSHAWKZQHUDECS-MNOVXSKESA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000309776187 384170850 /nfs/dbraw/zinc/17/08/50/384170850.db2.gz LSHAWKZQHUDECS-MNOVXSKESA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313292361 384236059 /nfs/dbraw/zinc/23/60/59/384236059.db2.gz HTGPYDMELFNXKV-STQMWFEESA-N 2 2 235.375 2.379 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cncs1 ZINC000133007466 384221034 /nfs/dbraw/zinc/22/10/34/384221034.db2.gz XCRGOAQUHBKVGP-NXEZZACHSA-N 2 2 227.377 2.134 20 0 BEADLP Cc1ccc(C)c(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000313305770 384246103 /nfs/dbraw/zinc/24/61/03/384246103.db2.gz SDYXQYCYTPBVQJ-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000093643685 384255130 /nfs/dbraw/zinc/25/51/30/384255130.db2.gz RAEVLCSDKRRREY-VXGBXAGGSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000093643685 384255132 /nfs/dbraw/zinc/25/51/32/384255132.db2.gz RAEVLCSDKRRREY-VXGBXAGGSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643685 384255134 /nfs/dbraw/zinc/25/51/34/384255134.db2.gz RAEVLCSDKRRREY-VXGBXAGGSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643685 384255136 /nfs/dbraw/zinc/25/51/36/384255136.db2.gz RAEVLCSDKRRREY-VXGBXAGGSA-N 2 2 222.332 2.194 20 0 BEADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccoc1 ZINC000336709888 384256416 /nfs/dbraw/zinc/25/64/16/384256416.db2.gz XUJCCSIITJNRFZ-UHFFFAOYSA-N 2 2 222.332 2.197 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccoc1 ZINC000336709888 384256422 /nfs/dbraw/zinc/25/64/22/384256422.db2.gz XUJCCSIITJNRFZ-UHFFFAOYSA-N 2 2 222.332 2.197 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093693832 384262892 /nfs/dbraw/zinc/26/28/92/384262892.db2.gz FDHMKJSPPSHGOE-AWEZNQCLSA-N 2 2 249.402 2.189 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000093693832 384262900 /nfs/dbraw/zinc/26/29/00/384262900.db2.gz FDHMKJSPPSHGOE-AWEZNQCLSA-N 2 2 249.402 2.189 20 0 BEADLP Cc1ccc(NC2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000297598746 384307449 /nfs/dbraw/zinc/30/74/49/384307449.db2.gz JTBTXRJNIJRPMY-UHFFFAOYSA-N 2 2 231.343 2.429 20 0 BEADLP c1cn(CC[N@@H+]2CCc3ccsc3C2)c[nH+]1 ZINC000133756409 384310146 /nfs/dbraw/zinc/31/01/46/384310146.db2.gz OOKPGDVDHBJIQB-UHFFFAOYSA-N 2 2 233.340 2.003 20 0 BEADLP c1cn(CC[N@H+]2CCc3ccsc3C2)c[nH+]1 ZINC000133756409 384310153 /nfs/dbraw/zinc/31/01/53/384310153.db2.gz OOKPGDVDHBJIQB-UHFFFAOYSA-N 2 2 233.340 2.003 20 0 BEADLP CSCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119975512 384322619 /nfs/dbraw/zinc/32/26/19/384322619.db2.gz PLYQLPCKNDMLQN-RYUDHWBXSA-N 2 2 239.388 2.129 20 0 BEADLP CSCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119975512 384322625 /nfs/dbraw/zinc/32/26/25/384322625.db2.gz PLYQLPCKNDMLQN-RYUDHWBXSA-N 2 2 239.388 2.129 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000083055403 384278641 /nfs/dbraw/zinc/27/86/41/384278641.db2.gz ISRFXNOCPVAUCN-JQWIXIFHSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[NH+](C)C ZINC000300060347 384287311 /nfs/dbraw/zinc/28/73/11/384287311.db2.gz DUPUWMYQNDOULN-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452074 384289774 /nfs/dbraw/zinc/28/97/74/384289774.db2.gz YBAOVLXDFOTWGT-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452074 384289783 /nfs/dbraw/zinc/28/97/83/384289783.db2.gz YBAOVLXDFOTWGT-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000120363299 384348447 /nfs/dbraw/zinc/34/84/47/384348447.db2.gz TUUXHFCMFIUIIQ-UONOGXRCSA-N 2 2 233.359 2.465 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000309736246 384357223 /nfs/dbraw/zinc/35/72/23/384357223.db2.gz CKOMRZAQUNXFRC-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000309736246 384357228 /nfs/dbraw/zinc/35/72/28/384357228.db2.gz CKOMRZAQUNXFRC-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000095068356 384328902 /nfs/dbraw/zinc/32/89/02/384328902.db2.gz BNRABSUPQIDUSU-UWVGGRQHSA-N 2 2 210.346 2.151 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cs1 ZINC000566088448 384397118 /nfs/dbraw/zinc/39/71/18/384397118.db2.gz PJSSFQPKXMWFQS-JTQLQIEISA-N 2 2 241.404 2.490 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1F ZINC000084511649 384402218 /nfs/dbraw/zinc/40/22/18/384402218.db2.gz RKLGBIOXIGZOOT-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1F ZINC000084511649 384402221 /nfs/dbraw/zinc/40/22/21/384402221.db2.gz RKLGBIOXIGZOOT-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000335642687 384419068 /nfs/dbraw/zinc/41/90/68/384419068.db2.gz HHYLSAHJHFQTID-GHMZBOCLSA-N 2 2 224.373 2.287 20 0 BEADLP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000084213452 384377170 /nfs/dbraw/zinc/37/71/70/384377170.db2.gz SWILFNYZLYLOQU-QWRGUYRKSA-N 2 2 205.305 2.011 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C(C)C)CCC2 ZINC000335605289 384378326 /nfs/dbraw/zinc/37/83/26/384378326.db2.gz PPAFFKQRNRWUEM-NSHDSACASA-N 2 2 207.321 2.067 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)s1 ZINC000335607852 384385965 /nfs/dbraw/zinc/38/59/65/384385965.db2.gz TXWWJRCUIPSLRA-SKDRFNHKSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)s1 ZINC000335607852 384385968 /nfs/dbraw/zinc/38/59/68/384385968.db2.gz TXWWJRCUIPSLRA-SKDRFNHKSA-N 2 2 224.373 2.096 20 0 BEADLP c1csc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335607543 384387925 /nfs/dbraw/zinc/38/79/25/384387925.db2.gz ZPKIJJAYFWTERC-VIFPVBQESA-N 2 2 233.340 2.118 20 0 BEADLP c1csc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335607543 384387928 /nfs/dbraw/zinc/38/79/28/384387928.db2.gz ZPKIJJAYFWTERC-VIFPVBQESA-N 2 2 233.340 2.118 20 0 BEADLP C[C@H]1CC([NH2+][C@@H]2CC[N@H+](C)C2)C[C@H](C)C1 ZINC000082830409 384445502 /nfs/dbraw/zinc/44/55/02/384445502.db2.gz VARXHSFYXMIXHN-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C2)C[C@H](C)C1 ZINC000082830409 384445507 /nfs/dbraw/zinc/44/55/07/384445507.db2.gz VARXHSFYXMIXHN-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647175013 384468842 /nfs/dbraw/zinc/46/88/42/384468842.db2.gz UHLIOKFSNFHZJJ-LLVKDONJSA-N 2 2 232.318 2.248 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647175013 384468848 /nfs/dbraw/zinc/46/88/48/384468848.db2.gz UHLIOKFSNFHZJJ-LLVKDONJSA-N 2 2 232.318 2.248 20 0 BEADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccn1 ZINC000158477532 384478045 /nfs/dbraw/zinc/47/80/45/384478045.db2.gz PSGYBBJDJWGTOZ-CYBMUJFWSA-N 2 2 244.342 2.409 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1nc2ccccc2s1 ZINC000149362316 384479456 /nfs/dbraw/zinc/47/94/56/384479456.db2.gz GEPDGGNIGXEGPP-UHFFFAOYSA-N 2 2 235.356 2.077 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1nc2ccccc2s1 ZINC000149362316 384479460 /nfs/dbraw/zinc/47/94/60/384479460.db2.gz GEPDGGNIGXEGPP-UHFFFAOYSA-N 2 2 235.356 2.077 20 0 BEADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000163727268 384499301 /nfs/dbraw/zinc/49/93/01/384499301.db2.gz BXKKXQFMBAQLJU-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000163727268 384499308 /nfs/dbraw/zinc/49/93/08/384499308.db2.gz BXKKXQFMBAQLJU-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000097050798 384491759 /nfs/dbraw/zinc/49/17/59/384491759.db2.gz JCWCSKATCIVJMM-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CO1 ZINC000647178707 384517371 /nfs/dbraw/zinc/51/73/71/384517371.db2.gz DNRCCGARHUYPAW-STQMWFEESA-N 2 2 249.358 2.041 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335072580 384523701 /nfs/dbraw/zinc/52/37/01/384523701.db2.gz FXZKOBOQUHWUGQ-JSGCOSHPSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@@H](C[NH2+]C1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000449554575 384525924 /nfs/dbraw/zinc/52/59/24/384525924.db2.gz CTYPADWWCIACKS-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000172196316 384546159 /nfs/dbraw/zinc/54/61/59/384546159.db2.gz QSBXCGUTRBOBCA-CYBMUJFWSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000172196316 384546165 /nfs/dbraw/zinc/54/61/65/384546165.db2.gz QSBXCGUTRBOBCA-CYBMUJFWSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000172197283 384547638 /nfs/dbraw/zinc/54/76/38/384547638.db2.gz QHPYTOPOEITZSM-GFCCVEGCSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000172197283 384547645 /nfs/dbraw/zinc/54/76/45/384547645.db2.gz QHPYTOPOEITZSM-GFCCVEGCSA-N 2 2 236.334 2.209 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000309714855 384555787 /nfs/dbraw/zinc/55/57/87/384555787.db2.gz SKJPEHSJWFLPKS-YVECIDJPSA-N 2 2 242.432 2.200 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000309714855 384555793 /nfs/dbraw/zinc/55/57/93/384555793.db2.gz SKJPEHSJWFLPKS-YVECIDJPSA-N 2 2 242.432 2.200 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000309714850 384555814 /nfs/dbraw/zinc/55/58/14/384555814.db2.gz SKJPEHSJWFLPKS-RVMXOQNASA-N 2 2 242.432 2.200 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000309714850 384555818 /nfs/dbraw/zinc/55/58/18/384555818.db2.gz SKJPEHSJWFLPKS-RVMXOQNASA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)[NH+](C)C ZINC000309749606 384576059 /nfs/dbraw/zinc/57/60/59/384576059.db2.gz KCDLFFVXGKXNDU-FRRDWIJNSA-N 2 2 230.371 2.445 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065500 384576212 /nfs/dbraw/zinc/57/62/12/384576212.db2.gz BZHYOFULKJABQM-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065500 384576216 /nfs/dbraw/zinc/57/62/16/384576216.db2.gz BZHYOFULKJABQM-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065409 384576309 /nfs/dbraw/zinc/57/63/09/384576309.db2.gz BAZLODBENHYSGT-HOTGVXAUSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065409 384576317 /nfs/dbraw/zinc/57/63/17/384576317.db2.gz BAZLODBENHYSGT-HOTGVXAUSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068796 384584134 /nfs/dbraw/zinc/58/41/34/384584134.db2.gz LJQBSDMLUVZGNJ-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068796 384584139 /nfs/dbraw/zinc/58/41/39/384584139.db2.gz LJQBSDMLUVZGNJ-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067882 384584150 /nfs/dbraw/zinc/58/41/50/384584150.db2.gz ABOJNJTXRPWHMT-BPLDGKMQSA-N 2 2 230.355 2.431 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067882 384584152 /nfs/dbraw/zinc/58/41/52/384584152.db2.gz ABOJNJTXRPWHMT-BPLDGKMQSA-N 2 2 230.355 2.431 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000184250671 384585435 /nfs/dbraw/zinc/58/54/35/384585435.db2.gz CHWPXSAEVYWFDR-ZDUSSCGKSA-N 2 2 244.342 2.327 20 0 BEADLP c1ccc(NCCCNc2cccc[nH+]2)[nH+]c1 ZINC000100675082 384616941 /nfs/dbraw/zinc/61/69/41/384616941.db2.gz ZGQURGSYHDCUQZ-UHFFFAOYSA-N 2 2 228.299 2.391 20 0 BEADLP Cc1nc(C)c(C[NH2+]CC[NH2+]C(C)(C)C)s1 ZINC000235830206 384619411 /nfs/dbraw/zinc/61/94/11/384619411.db2.gz YYQUFXVERYZYNE-UHFFFAOYSA-N 2 2 241.404 2.238 20 0 BEADLP Cc1noc(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124293938 384630143 /nfs/dbraw/zinc/63/01/43/384630143.db2.gz HLNOHYVZMNQBGP-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1noc(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124293938 384630150 /nfs/dbraw/zinc/63/01/50/384630150.db2.gz HLNOHYVZMNQBGP-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCCc3occc32)c[nH+]1 ZINC000123999915 384599351 /nfs/dbraw/zinc/59/93/51/384599351.db2.gz KFRWKUOUCQNVJT-GFCCVEGCSA-N 2 2 231.299 2.143 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)o1 ZINC000309804892 384632311 /nfs/dbraw/zinc/63/23/11/384632311.db2.gz XHTOCEKEYDYEEV-PWSUYJOCSA-N 2 2 224.348 2.436 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000124671460 384668954 /nfs/dbraw/zinc/66/89/54/384668954.db2.gz KYAGXZOSKWBUOX-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000124671460 384668964 /nfs/dbraw/zinc/66/89/64/384668964.db2.gz KYAGXZOSKWBUOX-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647188885 384646801 /nfs/dbraw/zinc/64/68/01/384646801.db2.gz QEARKMQGUFZZEU-NSHDSACASA-N 2 2 246.345 2.496 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647188885 384646810 /nfs/dbraw/zinc/64/68/10/384646810.db2.gz QEARKMQGUFZZEU-NSHDSACASA-N 2 2 246.345 2.496 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358082980 384647621 /nfs/dbraw/zinc/64/76/21/384647621.db2.gz OPZRPGHNQJLYFM-TZMCWYRMSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358082980 384647627 /nfs/dbraw/zinc/64/76/27/384647627.db2.gz OPZRPGHNQJLYFM-TZMCWYRMSA-N 2 2 248.370 2.125 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1F ZINC000647537981 384662750 /nfs/dbraw/zinc/66/27/50/384662750.db2.gz AWGFCNXIRFAJPL-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1F ZINC000647537981 384662755 /nfs/dbraw/zinc/66/27/55/384662755.db2.gz AWGFCNXIRFAJPL-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086725088 384679349 /nfs/dbraw/zinc/67/93/49/384679349.db2.gz FQEXFUBJQIJQKT-SKDRFNHKSA-N 2 2 224.735 2.353 20 0 BEADLP CCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533864832 384707654 /nfs/dbraw/zinc/70/76/54/384707654.db2.gz DSPINAUATCVWNZ-NSHDSACASA-N 2 2 207.321 2.010 20 0 BEADLP CCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533864832 384707666 /nfs/dbraw/zinc/70/76/66/384707666.db2.gz DSPINAUATCVWNZ-NSHDSACASA-N 2 2 207.321 2.010 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000125499769 384722840 /nfs/dbraw/zinc/72/28/40/384722840.db2.gz KCRQOOKMILOECO-GFCCVEGCSA-N 2 2 236.359 2.226 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000125499769 384722853 /nfs/dbraw/zinc/72/28/53/384722853.db2.gz KCRQOOKMILOECO-GFCCVEGCSA-N 2 2 236.359 2.226 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)ccc1C ZINC000647549308 384743444 /nfs/dbraw/zinc/74/34/44/384743444.db2.gz SGVHKHGZEIVDGE-BXUZGUMPSA-N 2 2 248.370 2.091 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)ccc1C ZINC000647549311 384744191 /nfs/dbraw/zinc/74/41/91/384744191.db2.gz SGVHKHGZEIVDGE-SMDDNHRTSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)c1cccc(O)c1 ZINC000647551619 384753697 /nfs/dbraw/zinc/75/36/97/384753697.db2.gz ZOYIBPGPJWCDEX-NQBHXWOUSA-N 2 2 234.343 2.041 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000083375068 384768288 /nfs/dbraw/zinc/76/82/88/384768288.db2.gz CWMUVIFRMVDABU-UHFFFAOYSA-N 2 2 246.276 2.145 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335040827 384817894 /nfs/dbraw/zinc/81/78/94/384817894.db2.gz HAVGLDDZCZDIDW-WDEREUQCSA-N 2 2 224.373 2.459 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)CC)C(C)(C)C ZINC000308572760 384821982 /nfs/dbraw/zinc/82/19/82/384821982.db2.gz COFPZAZGIPFXSY-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)CC)C(C)(C)C ZINC000308572760 384821992 /nfs/dbraw/zinc/82/19/92/384821992.db2.gz COFPZAZGIPFXSY-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CS1 ZINC000277288760 384781315 /nfs/dbraw/zinc/78/13/15/384781315.db2.gz RAQHADHIWTZBGL-VXGBXAGGSA-N 2 2 239.388 2.003 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000310022320 384788685 /nfs/dbraw/zinc/78/86/85/384788685.db2.gz NZUJLXTZRUIBSU-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000310022320 384788691 /nfs/dbraw/zinc/78/86/91/384788691.db2.gz NZUJLXTZRUIBSU-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC/C=C\C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449464727 384793024 /nfs/dbraw/zinc/79/30/24/384793024.db2.gz YXMLIPOQQUZRRB-ARJAWSKDSA-N 2 2 215.300 2.390 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336753689 384800451 /nfs/dbraw/zinc/80/04/51/384800451.db2.gz WMKDBQSEDOSIJQ-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336753689 384800457 /nfs/dbraw/zinc/80/04/57/384800457.db2.gz WMKDBQSEDOSIJQ-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000335644671 384801656 /nfs/dbraw/zinc/80/16/56/384801656.db2.gz XBJXOTQPNIIXQC-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000310036696 384802934 /nfs/dbraw/zinc/80/29/34/384802934.db2.gz UNGQLOKXKFWFQS-GFJIZPEISA-N 2 2 224.392 2.493 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000310036696 384802943 /nfs/dbraw/zinc/80/29/43/384802943.db2.gz UNGQLOKXKFWFQS-GFJIZPEISA-N 2 2 224.392 2.493 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403808187 384865951 /nfs/dbraw/zinc/86/59/51/384865951.db2.gz HGNCUBOKCAAOBV-KBXIAJHMSA-N 2 2 236.403 2.497 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403808187 384865956 /nfs/dbraw/zinc/86/59/56/384865956.db2.gz HGNCUBOKCAAOBV-KBXIAJHMSA-N 2 2 236.403 2.497 20 0 BEADLP COC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000156634641 384915051 /nfs/dbraw/zinc/91/50/51/384915051.db2.gz JYRGQOPVLOLYOH-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000156634641 384915054 /nfs/dbraw/zinc/91/50/54/384915054.db2.gz JYRGQOPVLOLYOH-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COc1c(C)cc(C[N@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000258688137 384933538 /nfs/dbraw/zinc/93/35/38/384933538.db2.gz FOTZRLIGFULWGG-GFCCVEGCSA-N 2 2 236.359 2.091 20 0 BEADLP COc1c(C)cc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000258688137 384933546 /nfs/dbraw/zinc/93/35/46/384933546.db2.gz FOTZRLIGFULWGG-GFCCVEGCSA-N 2 2 236.359 2.091 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@H]3C[C@H]31)CCCC2 ZINC000367439433 384976936 /nfs/dbraw/zinc/97/69/36/384976936.db2.gz UNWAXNRVWJKQHF-IACUBPJLSA-N 2 2 245.370 2.498 20 0 BEADLP c1cc(C[NH2+]CCC[NH+]2CCCCC2)sn1 ZINC000404432226 384990954 /nfs/dbraw/zinc/99/09/54/384990954.db2.gz NXYNREHULXJKBU-UHFFFAOYSA-N 2 2 239.388 2.109 20 0 BEADLP CC[C@H](CSC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336762000 384994105 /nfs/dbraw/zinc/99/41/05/384994105.db2.gz NIPZYGBEDSQWKQ-IJLUTSLNSA-N 2 2 230.421 2.058 20 0 BEADLP CC[C@H](CSC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336762000 384994111 /nfs/dbraw/zinc/99/41/11/384994111.db2.gz NIPZYGBEDSQWKQ-IJLUTSLNSA-N 2 2 230.421 2.058 20 0 BEADLP c1cn(CCCNc2[nH]c3ccccc3[nH+]2)c[nH+]1 ZINC000037498289 385049174 /nfs/dbraw/zinc/04/91/74/385049174.db2.gz OBBOGPXLMUVIAA-UHFFFAOYSA-N 2 2 241.298 2.262 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000340479253 385068671 /nfs/dbraw/zinc/06/86/71/385068671.db2.gz PJJBTPSKOSWDOJ-DGCLKSJQSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000340479253 385068676 /nfs/dbraw/zinc/06/86/76/385068676.db2.gz PJJBTPSKOSWDOJ-DGCLKSJQSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340479257 385069582 /nfs/dbraw/zinc/06/95/82/385069582.db2.gz PJJBTPSKOSWDOJ-WCQYABFASA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340479257 385069586 /nfs/dbraw/zinc/06/95/86/385069586.db2.gz PJJBTPSKOSWDOJ-WCQYABFASA-N 2 2 222.376 2.247 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000053201544 385034704 /nfs/dbraw/zinc/03/47/04/385034704.db2.gz LSTYKSWIEQFBBH-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000053201544 385034709 /nfs/dbraw/zinc/03/47/09/385034709.db2.gz LSTYKSWIEQFBBH-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP C[NH+](C)C1CCC(Nc2cccc[nH+]2)CC1 ZINC000336571425 385038622 /nfs/dbraw/zinc/03/86/22/385038622.db2.gz IYHXDPOANYXKSW-UHFFFAOYSA-N 2 2 219.332 2.366 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC1(C)C ZINC000308785475 385102440 /nfs/dbraw/zinc/10/24/40/385102440.db2.gz FHTJKDRJXBFWTN-WDEREUQCSA-N 2 2 207.321 2.050 20 0 BEADLP CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177227045 385201764 /nfs/dbraw/zinc/20/17/64/385201764.db2.gz PBSQKDAEKICMAB-UHFFFAOYSA-N 2 2 244.342 2.499 20 0 BEADLP CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177227045 385201772 /nfs/dbraw/zinc/20/17/72/385201772.db2.gz PBSQKDAEKICMAB-UHFFFAOYSA-N 2 2 244.342 2.499 20 0 BEADLP Cc1cc[nH+]c(NCC(C)(C)[NH+](C)C)c1 ZINC000043561702 385168107 /nfs/dbraw/zinc/16/81/07/385168107.db2.gz WWVCNNVMNJFVIC-UHFFFAOYSA-N 2 2 207.321 2.142 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000308844881 385207239 /nfs/dbraw/zinc/20/72/39/385207239.db2.gz OWPMNPGFPMPEIJ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC1(C)C)C1CC1 ZINC000308844881 385207241 /nfs/dbraw/zinc/20/72/41/385207241.db2.gz OWPMNPGFPMPEIJ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647482330 385209314 /nfs/dbraw/zinc/20/93/14/385209314.db2.gz KITRHLXDBIWRNT-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647482330 385209320 /nfs/dbraw/zinc/20/93/20/385209320.db2.gz KITRHLXDBIWRNT-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP CCN(CCC[NH+](C)C)c1cc[nH+]c(C2CC2)n1 ZINC000190289773 385227787 /nfs/dbraw/zinc/22/77/87/385227787.db2.gz WNLYPIMZCUMHRY-UHFFFAOYSA-N 2 2 248.374 2.132 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C)C1CC1 ZINC000308884194 385237443 /nfs/dbraw/zinc/23/74/43/385237443.db2.gz FWABPEWANDGISF-GMXVVIOVSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C)C1CC1 ZINC000308884194 385237449 /nfs/dbraw/zinc/23/74/49/385237449.db2.gz FWABPEWANDGISF-GMXVVIOVSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C1CC1 ZINC000308884196 385239433 /nfs/dbraw/zinc/23/94/33/385239433.db2.gz FWABPEWANDGISF-NTZNESFSSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C1CC1 ZINC000308884196 385239436 /nfs/dbraw/zinc/23/94/36/385239436.db2.gz FWABPEWANDGISF-NTZNESFSSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2)[C@@H](C)C1 ZINC000246879383 385252451 /nfs/dbraw/zinc/25/24/51/385252451.db2.gz GNZVNYQZUMMNDE-WCQYABFASA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2)[C@@H](C)C1 ZINC000246879383 385252460 /nfs/dbraw/zinc/25/24/60/385252460.db2.gz GNZVNYQZUMMNDE-WCQYABFASA-N 2 2 222.332 2.100 20 0 BEADLP Cc1cncc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000189979031 385203412 /nfs/dbraw/zinc/20/34/12/385203412.db2.gz JMAYJLCBNCITQH-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cncc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000189979031 385203419 /nfs/dbraw/zinc/20/34/19/385203419.db2.gz JMAYJLCBNCITQH-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000044527788 385309324 /nfs/dbraw/zinc/30/93/24/385309324.db2.gz GXXRJYNXMBHLBW-LLVKDONJSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000044527788 385309327 /nfs/dbraw/zinc/30/93/27/385309327.db2.gz GXXRJYNXMBHLBW-LLVKDONJSA-N 2 2 240.297 2.136 20 0 BEADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC[NH3+] ZINC000037713039 385269955 /nfs/dbraw/zinc/26/99/55/385269955.db2.gz NLGVVGIBIBFYBZ-QMMMGPOBSA-N 2 2 241.404 2.358 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccccc1C(F)(F)F ZINC000037712374 385274821 /nfs/dbraw/zinc/27/48/21/385274821.db2.gz WWXBJNAVBPNOJT-QMMMGPOBSA-N 2 2 232.249 2.315 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[N@H+](C)C1CC1 ZINC000449135986 385294618 /nfs/dbraw/zinc/29/46/18/385294618.db2.gz SSZYVSOZAVRMFR-NWDGAFQWSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)[N@@H+](C)C1CC1 ZINC000449135986 385294625 /nfs/dbraw/zinc/29/46/25/385294625.db2.gz SSZYVSOZAVRMFR-NWDGAFQWSA-N 2 2 236.359 2.283 20 0 BEADLP CC(C)CCC[NH2+]C1(C[NH+](C)C)CCC1 ZINC000308922298 385294574 /nfs/dbraw/zinc/29/45/74/385294574.db2.gz CKADLDBBTSDQKC-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000449135988 385295394 /nfs/dbraw/zinc/29/53/94/385295394.db2.gz SSZYVSOZAVRMFR-VXGBXAGGSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000449135988 385295397 /nfs/dbraw/zinc/29/53/97/385295397.db2.gz SSZYVSOZAVRMFR-VXGBXAGGSA-N 2 2 236.359 2.283 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000131411805 385331247 /nfs/dbraw/zinc/33/12/47/385331247.db2.gz UOIMIBXDTALGJR-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000131411805 385331253 /nfs/dbraw/zinc/33/12/53/385331253.db2.gz UOIMIBXDTALGJR-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154565074 385337082 /nfs/dbraw/zinc/33/70/82/385337082.db2.gz IYCDRNSJSPBEBK-CHWSQXEVSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154565074 385337086 /nfs/dbraw/zinc/33/70/86/385337086.db2.gz IYCDRNSJSPBEBK-CHWSQXEVSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000335358345 385347462 /nfs/dbraw/zinc/34/74/62/385347462.db2.gz NIYJPAYILDXWMX-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C[Si](C)(C)C ZINC000178434173 385372708 /nfs/dbraw/zinc/37/27/08/385372708.db2.gz GHLPEYDZMKTYSY-UHFFFAOYSA-N 2 2 225.412 2.082 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C[Si](C)(C)C ZINC000178434173 385372711 /nfs/dbraw/zinc/37/27/11/385372711.db2.gz GHLPEYDZMKTYSY-UHFFFAOYSA-N 2 2 225.412 2.082 20 0 BEADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000155368993 385387374 /nfs/dbraw/zinc/38/73/74/385387374.db2.gz YUNKWPSXYFMJHN-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000299986637 385388006 /nfs/dbraw/zinc/38/80/06/385388006.db2.gz MWQOJMWIOVRHIR-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cncc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000299986637 385388009 /nfs/dbraw/zinc/38/80/09/385388009.db2.gz MWQOJMWIOVRHIR-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1occc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000309063810 385391458 /nfs/dbraw/zinc/39/14/58/385391458.db2.gz XWWDEVCAKNXNQL-SNVBAGLBSA-N 2 2 210.321 2.018 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CC2)CC1 ZINC000309073433 385403357 /nfs/dbraw/zinc/40/33/57/385403357.db2.gz HNKLAKNQIJNHFG-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)o1 ZINC000155759478 385410505 /nfs/dbraw/zinc/41/05/05/385410505.db2.gz FMKAMWHLLXJDMV-LLVKDONJSA-N 2 2 233.315 2.389 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCC[N@@H+]1C ZINC000309090941 385414436 /nfs/dbraw/zinc/41/44/36/385414436.db2.gz BEQRFHPLZDKSIE-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCC[N@H+]1C ZINC000309090941 385414439 /nfs/dbraw/zinc/41/44/39/385414439.db2.gz BEQRFHPLZDKSIE-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(O)c1 ZINC000193858970 385415047 /nfs/dbraw/zinc/41/50/47/385415047.db2.gz SHSDDRVKLKPUNQ-YPMHNXCESA-N 2 2 234.343 2.137 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(O)c1 ZINC000193858970 385415050 /nfs/dbraw/zinc/41/50/50/385415050.db2.gz SHSDDRVKLKPUNQ-YPMHNXCESA-N 2 2 234.343 2.137 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000309163427 385445215 /nfs/dbraw/zinc/44/52/15/385445215.db2.gz HYXGKTPPNFNRMJ-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000309163427 385445216 /nfs/dbraw/zinc/44/52/16/385445216.db2.gz HYXGKTPPNFNRMJ-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCSC1 ZINC000179681092 385484090 /nfs/dbraw/zinc/48/40/90/385484090.db2.gz OFRULRNXPJULJS-LBPRGKRZSA-N 2 2 247.367 2.272 20 0 BEADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCSC1 ZINC000179681092 385484091 /nfs/dbraw/zinc/48/40/91/385484091.db2.gz OFRULRNXPJULJS-LBPRGKRZSA-N 2 2 247.367 2.272 20 0 BEADLP CC(C)c1nc(NCC[N@@H+](C)C(C)C)cc[nH+]1 ZINC000110480927 385493214 /nfs/dbraw/zinc/49/32/14/385493214.db2.gz KPUKBWXCUOUCBC-UHFFFAOYSA-N 2 2 236.363 2.352 20 0 BEADLP CC(C)c1nc(NCC[N@H+](C)C(C)C)cc[nH+]1 ZINC000110480927 385493218 /nfs/dbraw/zinc/49/32/18/385493218.db2.gz KPUKBWXCUOUCBC-UHFFFAOYSA-N 2 2 236.363 2.352 20 0 BEADLP Cc1cc[nH+]c(NCC[N@@H+](C)C(C)C)c1 ZINC000054128211 385493594 /nfs/dbraw/zinc/49/35/94/385493594.db2.gz HNJQSSIMEZGFQJ-UHFFFAOYSA-N 2 2 207.321 2.142 20 0 BEADLP Cc1cc[nH+]c(NCC[N@H+](C)C(C)C)c1 ZINC000054128211 385493597 /nfs/dbraw/zinc/49/35/97/385493597.db2.gz HNJQSSIMEZGFQJ-UHFFFAOYSA-N 2 2 207.321 2.142 20 0 BEADLP Cc1ccsc1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309356247 385547964 /nfs/dbraw/zinc/54/79/64/385547964.db2.gz AFOJIIFAJLVQBM-RYUDHWBXSA-N 2 2 238.400 2.139 20 0 BEADLP Cc1ccsc1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309356247 385547965 /nfs/dbraw/zinc/54/79/65/385547965.db2.gz AFOJIIFAJLVQBM-RYUDHWBXSA-N 2 2 238.400 2.139 20 0 BEADLP Cc1ccsc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309356246 385548101 /nfs/dbraw/zinc/54/81/01/385548101.db2.gz AFOJIIFAJLVQBM-NWDGAFQWSA-N 2 2 238.400 2.139 20 0 BEADLP Cc1ccsc1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309356246 385548103 /nfs/dbraw/zinc/54/81/03/385548103.db2.gz AFOJIIFAJLVQBM-NWDGAFQWSA-N 2 2 238.400 2.139 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)[NH+]1CCCC1 ZINC000449078548 385519644 /nfs/dbraw/zinc/51/96/44/385519644.db2.gz VKUWSUIDGCQMLC-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)[NH+]1CCCC1 ZINC000449078550 385520751 /nfs/dbraw/zinc/52/07/51/385520751.db2.gz VKUWSUIDGCQMLC-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)CS1 ZINC000309401540 385571777 /nfs/dbraw/zinc/57/17/77/385571777.db2.gz WIFIMEIVRBAHDV-QWHCGFSZSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)CS1 ZINC000309401540 385571780 /nfs/dbraw/zinc/57/17/80/385571780.db2.gz WIFIMEIVRBAHDV-QWHCGFSZSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccn1 ZINC000181804680 385606404 /nfs/dbraw/zinc/60/64/04/385606404.db2.gz XVGLVVIULJYFAC-CHWSQXEVSA-N 2 2 233.359 2.217 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccn1 ZINC000181804680 385606409 /nfs/dbraw/zinc/60/64/09/385606409.db2.gz XVGLVVIULJYFAC-CHWSQXEVSA-N 2 2 233.359 2.217 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000269635709 385615515 /nfs/dbraw/zinc/61/55/15/385615515.db2.gz QVHAVHQESPLNDZ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000269635709 385615522 /nfs/dbraw/zinc/61/55/22/385615522.db2.gz QVHAVHQESPLNDZ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000269635709 385615523 /nfs/dbraw/zinc/61/55/23/385615523.db2.gz QVHAVHQESPLNDZ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000269635709 385615528 /nfs/dbraw/zinc/61/55/28/385615528.db2.gz QVHAVHQESPLNDZ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000063191662 385610037 /nfs/dbraw/zinc/61/00/37/385610037.db2.gz LSEHYPHIDROMMD-CMPLNLGQSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000063191662 385610038 /nfs/dbraw/zinc/61/00/38/385610038.db2.gz LSEHYPHIDROMMD-CMPLNLGQSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000250895052 385612091 /nfs/dbraw/zinc/61/20/91/385612091.db2.gz IDBCMFNOHYPXPG-MJBXVCDLSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000250895052 385612093 /nfs/dbraw/zinc/61/20/93/385612093.db2.gz IDBCMFNOHYPXPG-MJBXVCDLSA-N 2 2 245.370 2.359 20 0 BEADLP C[N@H+](Cc1sccc1Cl)C1CC([NH3+])C1 ZINC000306948700 385645238 /nfs/dbraw/zinc/64/52/38/385645238.db2.gz UJXAJWZOXXRCGR-UHFFFAOYSA-N 2 2 230.764 2.323 20 0 BEADLP C[N@@H+](Cc1sccc1Cl)C1CC([NH3+])C1 ZINC000306948700 385645246 /nfs/dbraw/zinc/64/52/46/385645246.db2.gz UJXAJWZOXXRCGR-UHFFFAOYSA-N 2 2 230.764 2.323 20 0 BEADLP FC(F)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000337407921 385650589 /nfs/dbraw/zinc/65/05/89/385650589.db2.gz NOVZBQDSPGBKLU-LLVKDONJSA-N 2 2 243.301 2.393 20 0 BEADLP FC(F)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000337407921 385650594 /nfs/dbraw/zinc/65/05/94/385650594.db2.gz NOVZBQDSPGBKLU-LLVKDONJSA-N 2 2 243.301 2.393 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCCCC1)CC2 ZINC000309539580 385673212 /nfs/dbraw/zinc/67/32/12/385673212.db2.gz DNEWBVOBQANBSM-GFCCVEGCSA-N 2 2 219.332 2.120 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000309539582 385674207 /nfs/dbraw/zinc/67/42/07/385674207.db2.gz DNEWBVOBQANBSM-LBPRGKRZSA-N 2 2 219.332 2.120 20 0 BEADLP CCc1cnc(C[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000414852217 385667280 /nfs/dbraw/zinc/66/72/80/385667280.db2.gz QNDIHMXNNWDQJZ-JTQLQIEISA-N 2 2 241.404 2.169 20 0 BEADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309532321 385668375 /nfs/dbraw/zinc/66/83/75/385668375.db2.gz BYTGDXFWYSKKEA-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCCC[NH3+] ZINC000336692445 385734662 /nfs/dbraw/zinc/73/46/62/385734662.db2.gz HUZKCMUFBBYMAW-KBPBESRZSA-N 3 2 243.439 2.070 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414862000 385750571 /nfs/dbraw/zinc/75/05/71/385750571.db2.gz GRIRHLUDRBXHFI-AAEUAGOBSA-N 2 2 236.334 2.098 20 0 BEADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000309624792 385753229 /nfs/dbraw/zinc/75/32/29/385753229.db2.gz PVLLZQSGCCSWET-UHFFFAOYSA-N 2 2 235.356 2.470 20 0 BEADLP CSCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365771502 385758215 /nfs/dbraw/zinc/75/82/15/385758215.db2.gz BYLQYSOMFPKZLE-LLVKDONJSA-N 2 2 239.388 2.342 20 0 BEADLP CSCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365771502 385758220 /nfs/dbraw/zinc/75/82/20/385758220.db2.gz BYLQYSOMFPKZLE-LLVKDONJSA-N 2 2 239.388 2.342 20 0 BEADLP CCC[NH2+]CC[NH2+]C/C=C/c1ccccc1OC ZINC000414865849 385770958 /nfs/dbraw/zinc/77/09/58/385770958.db2.gz GANXWUSHGPQCNW-SOFGYWHQSA-N 2 2 248.370 2.298 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000309664894 385776998 /nfs/dbraw/zinc/77/69/98/385776998.db2.gz HGUDXPUWZOJFOA-SNVBAGLBSA-N 2 2 233.340 2.118 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000309664894 385777001 /nfs/dbraw/zinc/77/70/01/385777001.db2.gz HGUDXPUWZOJFOA-SNVBAGLBSA-N 2 2 233.340 2.118 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000309591625 385720557 /nfs/dbraw/zinc/72/05/57/385720557.db2.gz UYPUHXZGTIRBAP-RISCZKNCSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000309591625 385720561 /nfs/dbraw/zinc/72/05/61/385720561.db2.gz UYPUHXZGTIRBAP-RISCZKNCSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000414945426 385799128 /nfs/dbraw/zinc/79/91/28/385799128.db2.gz IHBOQVZPJSJIBO-HIFRSBDPSA-N 3 2 247.386 2.053 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)ccc1F ZINC000414952331 385823997 /nfs/dbraw/zinc/82/39/97/385823997.db2.gz KGHPKPAQNFICCK-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)ccc1F ZINC000414952333 385824331 /nfs/dbraw/zinc/82/43/31/385824331.db2.gz KGHPKPAQNFICCK-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000340183307 385827246 /nfs/dbraw/zinc/82/72/46/385827246.db2.gz AOGMHTUKZPEASE-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000340183307 385827248 /nfs/dbraw/zinc/82/72/48/385827248.db2.gz AOGMHTUKZPEASE-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[NH2+]Cc1cccc(NCc2[nH+]ccn2C)c1 ZINC000414868723 385829079 /nfs/dbraw/zinc/82/90/79/385829079.db2.gz PLCRYXQXRJVYMU-UHFFFAOYSA-N 2 2 244.342 2.142 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000271578770 385838263 /nfs/dbraw/zinc/83/82/63/385838263.db2.gz RQNNQBWHHNYOOY-NEPJUHHUSA-N 2 2 207.321 2.146 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000271578770 385838264 /nfs/dbraw/zinc/83/82/64/385838264.db2.gz RQNNQBWHHNYOOY-NEPJUHHUSA-N 2 2 207.321 2.146 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000647845743 385885745 /nfs/dbraw/zinc/88/57/45/385885745.db2.gz DHYLEBWEYRZVQS-SDDRHHMPSA-N 2 2 237.347 2.103 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000647845743 385885748 /nfs/dbraw/zinc/88/57/48/385885748.db2.gz DHYLEBWEYRZVQS-SDDRHHMPSA-N 2 2 237.347 2.103 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000336726257 385890711 /nfs/dbraw/zinc/89/07/11/385890711.db2.gz GEGDJVUGUMCPTC-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000336726257 385890713 /nfs/dbraw/zinc/89/07/13/385890713.db2.gz GEGDJVUGUMCPTC-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC[NH+](C)C ZINC000282555228 385893422 /nfs/dbraw/zinc/89/34/22/385893422.db2.gz CXULEJBBVPFGPT-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP CN(C)c1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000272319183 385893987 /nfs/dbraw/zinc/89/39/87/385893987.db2.gz KWNHKWAUAVCJKM-UHFFFAOYSA-N 2 2 249.402 2.136 20 0 BEADLP CN(C)c1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000272319183 385893991 /nfs/dbraw/zinc/89/39/91/385893991.db2.gz KWNHKWAUAVCJKM-UHFFFAOYSA-N 2 2 249.402 2.136 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414965138 385911315 /nfs/dbraw/zinc/91/13/15/385911315.db2.gz ZESZLFLMMRHSKK-JTQLQIEISA-N 2 2 247.367 2.247 20 0 BEADLP CS[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000294914688 385913866 /nfs/dbraw/zinc/91/38/66/385913866.db2.gz AKVSRSHOFCOYDO-GFCCVEGCSA-N 2 2 247.367 2.272 20 0 BEADLP CS[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000294914688 385913870 /nfs/dbraw/zinc/91/38/70/385913870.db2.gz AKVSRSHOFCOYDO-GFCCVEGCSA-N 2 2 247.367 2.272 20 0 BEADLP CC1(C)C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000335032878 385920606 /nfs/dbraw/zinc/92/06/06/385920606.db2.gz CBMCYFVEBOBYIT-SMDDNHRTSA-N 2 2 230.355 2.361 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000336767526 385921118 /nfs/dbraw/zinc/92/11/18/385921118.db2.gz SQSHEGDPEHLMJH-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000336767526 385921124 /nfs/dbraw/zinc/92/11/24/385921124.db2.gz SQSHEGDPEHLMJH-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414958802 385863351 /nfs/dbraw/zinc/86/33/51/385863351.db2.gz SMCMXQYAVPDWHU-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000295157200 385981444 /nfs/dbraw/zinc/98/14/44/385981444.db2.gz MRAXIQVZXZHFOT-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccn1 ZINC000295157200 385981451 /nfs/dbraw/zinc/98/14/51/385981451.db2.gz MRAXIQVZXZHFOT-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP CCSCC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336748884 385988315 /nfs/dbraw/zinc/98/83/15/385988315.db2.gz DCEANNQHELBBJI-UHFFFAOYSA-N 2 2 230.421 2.061 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[C@@H]1C ZINC000414062956 385939725 /nfs/dbraw/zinc/93/97/25/385939725.db2.gz DIGUTQRBNADPFO-RQJABVFESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[C@@H]1C ZINC000414062956 385939731 /nfs/dbraw/zinc/93/97/31/385939731.db2.gz DIGUTQRBNADPFO-RQJABVFESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@H]1C[C@H]1C ZINC000414071916 385946701 /nfs/dbraw/zinc/94/67/01/385946701.db2.gz MENAGZAXNNILOX-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@H]1C[C@H]1C ZINC000414071916 385946704 /nfs/dbraw/zinc/94/67/04/385946704.db2.gz MENAGZAXNNILOX-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(N[C@H]2CCCCC[C@H]2[NH3+])c[nH+]1 ZINC000335049152 385947343 /nfs/dbraw/zinc/94/73/43/385947343.db2.gz JNEVMNJKXXULMC-OLZOCXBDSA-N 2 2 219.332 2.462 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335053641 385951272 /nfs/dbraw/zinc/95/12/72/385951272.db2.gz JVKUPRKVQWAUTD-HZMBPMFUSA-N 2 2 231.343 2.065 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000414108376 385969553 /nfs/dbraw/zinc/96/95/53/385969553.db2.gz LQDSMLUFEDICFD-MQLXINIDSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000414108376 385969559 /nfs/dbraw/zinc/96/95/59/385969559.db2.gz LQDSMLUFEDICFD-MQLXINIDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000336747189 385969720 /nfs/dbraw/zinc/96/97/20/385969720.db2.gz CDTXPPJKPPBZSU-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000336747189 385969724 /nfs/dbraw/zinc/96/97/24/385969724.db2.gz CDTXPPJKPPBZSU-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000273399947 385995365 /nfs/dbraw/zinc/99/53/65/385995365.db2.gz OWAKLDQZBGNBMY-HNNXBMFYSA-N 2 2 232.371 2.159 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(C(C)C)s1 ZINC000414974995 386002059 /nfs/dbraw/zinc/00/20/59/386002059.db2.gz FNDFHHKFBJOASB-VIFPVBQESA-N 2 2 227.377 2.093 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@H]1C[C@H]1C ZINC000414111183 386005762 /nfs/dbraw/zinc/00/57/62/386005762.db2.gz MDOXRRHTFMQLAO-VJFWYMLFSA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@H]1C[C@H]1C ZINC000414111183 386005770 /nfs/dbraw/zinc/00/57/70/386005770.db2.gz MDOXRRHTFMQLAO-VJFWYMLFSA-N 2 2 236.403 2.493 20 0 BEADLP CCSCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000336751174 386006671 /nfs/dbraw/zinc/00/66/71/386006671.db2.gz CALIFRAJLUDPPM-OLZOCXBDSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000336751174 386006679 /nfs/dbraw/zinc/00/66/79/386006679.db2.gz CALIFRAJLUDPPM-OLZOCXBDSA-N 2 2 244.448 2.450 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000414111184 386006887 /nfs/dbraw/zinc/00/68/87/386006887.db2.gz MDOXRRHTFMQLAO-ZYDPBQMLSA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000414111184 386006888 /nfs/dbraw/zinc/00/68/88/386006888.db2.gz MDOXRRHTFMQLAO-ZYDPBQMLSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414185049 386025972 /nfs/dbraw/zinc/02/59/72/386025972.db2.gz GHHMWXYSZOBOLR-NGFQHRJXSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000414185049 386025977 /nfs/dbraw/zinc/02/59/77/386025977.db2.gz GHHMWXYSZOBOLR-NGFQHRJXSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2ncsc2c1 ZINC000335061560 386026361 /nfs/dbraw/zinc/02/63/61/386026361.db2.gz BEINQHVAHSLLLE-GXSJLCMTSA-N 2 2 247.367 2.309 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2ncsc2c1 ZINC000335061562 386027551 /nfs/dbraw/zinc/02/75/51/386027551.db2.gz BEINQHVAHSLLLE-MWLCHTKSSA-N 2 2 247.367 2.309 20 0 BEADLP CCc1cccc(F)c1C[NH2+]CC1([NH3+])CCC1 ZINC000414883476 386032950 /nfs/dbraw/zinc/03/29/50/386032950.db2.gz VAZZIWYPXDQYLS-UHFFFAOYSA-N 2 2 236.334 2.359 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@H]1C ZINC000414167303 386050140 /nfs/dbraw/zinc/05/01/40/386050140.db2.gz SGCKJYNRPUGVLX-WYUUTHIRSA-N 2 2 233.359 2.291 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@H]1C ZINC000414167303 386050142 /nfs/dbraw/zinc/05/01/42/386050142.db2.gz SGCKJYNRPUGVLX-WYUUTHIRSA-N 2 2 233.359 2.291 20 0 BEADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419626 385996289 /nfs/dbraw/zinc/99/62/89/385996289.db2.gz QRAPCWWELYHIJA-CHWSQXEVSA-N 2 2 249.358 2.014 20 0 BEADLP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419626 385996295 /nfs/dbraw/zinc/99/62/95/385996295.db2.gz QRAPCWWELYHIJA-CHWSQXEVSA-N 2 2 249.358 2.014 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000335073144 386065976 /nfs/dbraw/zinc/06/59/76/386065976.db2.gz HAVGLDDZCZDIDW-QWRGUYRKSA-N 2 2 224.373 2.459 20 0 BEADLP C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414982530 386076666 /nfs/dbraw/zinc/07/66/66/386076666.db2.gz AQADXIZHGOCWQY-PWSUYJOCSA-N 2 2 242.313 2.362 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000223199928 386079912 /nfs/dbraw/zinc/07/99/12/386079912.db2.gz KJOZPBRTQWOSKY-NWDGAFQWSA-N 2 2 238.350 2.296 20 0 BEADLP CCc1ccc(CC[N@@H+]2CC[C@H]([NH2+]C)C2)cc1 ZINC000430602340 386082581 /nfs/dbraw/zinc/08/25/81/386082581.db2.gz GRIRRNWVGQAXSU-HNNXBMFYSA-N 2 2 232.371 2.085 20 0 BEADLP CCc1ccc(CC[N@H+]2CC[C@H]([NH2+]C)C2)cc1 ZINC000430602340 386082582 /nfs/dbraw/zinc/08/25/82/386082582.db2.gz GRIRRNWVGQAXSU-HNNXBMFYSA-N 2 2 232.371 2.085 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1sccc1Cl ZINC000414983612 386087542 /nfs/dbraw/zinc/08/75/42/386087542.db2.gz FETOOZIMLGLWLG-ZETCQYMHSA-N 2 2 218.753 2.228 20 0 BEADLP Cc1ccc(C[C@@H]([NH2+]CC[NH+](C)C)C2CC2)cc1 ZINC000287160290 386098197 /nfs/dbraw/zinc/09/81/97/386098197.db2.gz TXPONBPCCDHDCX-MRXNPFEDSA-N 2 2 246.398 2.467 20 0 BEADLP CC[C@@H](F)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000440781563 386153145 /nfs/dbraw/zinc/15/31/45/386153145.db2.gz SVHXQQDNBKGHIU-LLVKDONJSA-N 2 2 216.344 2.151 20 0 BEADLP CC[C@@H](F)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000440781563 386153150 /nfs/dbraw/zinc/15/31/50/386153150.db2.gz SVHXQQDNBKGHIU-LLVKDONJSA-N 2 2 216.344 2.151 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000440801727 386162253 /nfs/dbraw/zinc/16/22/53/386162253.db2.gz RIVSTJOXFILKJI-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000440801727 386162257 /nfs/dbraw/zinc/16/22/57/386162257.db2.gz RIVSTJOXFILKJI-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000296400564 386170953 /nfs/dbraw/zinc/17/09/53/386170953.db2.gz LMIGSSDQWSZBJA-LBPRGKRZSA-N 2 2 244.342 2.012 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cccs1 ZINC000263853326 386183066 /nfs/dbraw/zinc/18/30/66/386183066.db2.gz RICPEVHVSOKUOP-UHFFFAOYSA-N 2 2 212.362 2.132 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cccs1 ZINC000263853326 386183072 /nfs/dbraw/zinc/18/30/72/386183072.db2.gz RICPEVHVSOKUOP-UHFFFAOYSA-N 2 2 212.362 2.132 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343176 386131703 /nfs/dbraw/zinc/13/17/03/386131703.db2.gz QQJRHSYUAFVOGZ-IGHBBLSQSA-N 2 2 246.354 2.208 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343176 386131710 /nfs/dbraw/zinc/13/17/10/386131710.db2.gz QQJRHSYUAFVOGZ-IGHBBLSQSA-N 2 2 246.354 2.208 20 0 BEADLP Cc1ccccc1[C@@H]1C[N@H+](CCC[NH3+])[C@H](C)CO1 ZINC000414693150 386189214 /nfs/dbraw/zinc/18/92/14/386189214.db2.gz DVCVZNXZWDUHIC-HIFRSBDPSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccccc1[C@@H]1C[N@@H+](CCC[NH3+])[C@H](C)CO1 ZINC000414693150 386189216 /nfs/dbraw/zinc/18/92/16/386189216.db2.gz DVCVZNXZWDUHIC-HIFRSBDPSA-N 2 2 248.370 2.106 20 0 BEADLP CC[C@H](F)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335229747 386137683 /nfs/dbraw/zinc/13/76/83/386137683.db2.gz SIQYXJXTDDWFTE-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP CC[C@H](F)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335229747 386137688 /nfs/dbraw/zinc/13/76/88/386137688.db2.gz SIQYXJXTDDWFTE-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H](CC[NH3+])C(F)F ZINC000414989350 386139834 /nfs/dbraw/zinc/13/98/34/386139834.db2.gz MPZPTWIGNVGHKJ-UWVGGRQHSA-N 2 2 222.323 2.241 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000414896575 386203562 /nfs/dbraw/zinc/20/35/62/386203562.db2.gz PMDLGISZEABCLB-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131380163 386205282 /nfs/dbraw/zinc/20/52/82/386205282.db2.gz STWIEHSUYCXJTE-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131380163 386205291 /nfs/dbraw/zinc/20/52/91/386205291.db2.gz STWIEHSUYCXJTE-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C(C1CC1)C1CC1 ZINC000414700748 386208094 /nfs/dbraw/zinc/20/80/94/386208094.db2.gz VJWDHQIBVDHCIE-CYBMUJFWSA-N 2 2 224.392 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C(C1CC1)C1CC1 ZINC000414700748 386208099 /nfs/dbraw/zinc/20/80/99/386208099.db2.gz VJWDHQIBVDHCIE-CYBMUJFWSA-N 2 2 224.392 2.480 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000415001458 386233049 /nfs/dbraw/zinc/23/30/49/386233049.db2.gz CJJFSBZUVIEVNI-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](C)C1 ZINC000288997502 386250165 /nfs/dbraw/zinc/25/01/65/386250165.db2.gz DSCPBZABFMBNHQ-ZDUSSCGKSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](C)C1 ZINC000288997502 386250167 /nfs/dbraw/zinc/25/01/67/386250167.db2.gz DSCPBZABFMBNHQ-ZDUSSCGKSA-N 2 2 234.343 2.043 20 0 BEADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347101749 386250575 /nfs/dbraw/zinc/25/05/75/386250575.db2.gz LFOLTRSBTKYLAB-JTQLQIEISA-N 2 2 239.388 2.047 20 0 BEADLP CC(C)c1cnc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000347101749 386250577 /nfs/dbraw/zinc/25/05/77/386250577.db2.gz LFOLTRSBTKYLAB-JTQLQIEISA-N 2 2 239.388 2.047 20 0 BEADLP Cc1ccccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347104119 386253021 /nfs/dbraw/zinc/25/30/21/386253021.db2.gz LBODWWKHVCELHV-HNNXBMFYSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347104119 386253024 /nfs/dbraw/zinc/25/30/24/386253024.db2.gz LBODWWKHVCELHV-HNNXBMFYSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@@H]1O ZINC000289066227 386255942 /nfs/dbraw/zinc/25/59/42/386255942.db2.gz AUZUFHYSKJVVEC-GJZGRUSLSA-N 2 2 248.370 2.216 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc2cccnc12 ZINC000347194370 386257007 /nfs/dbraw/zinc/25/70/07/386257007.db2.gz GTQABTYOKILELJ-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H](C)C[NH3+])cc2cccnc12 ZINC000347194370 386257012 /nfs/dbraw/zinc/25/70/12/386257012.db2.gz GTQABTYOKILELJ-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP CC[C@@H](C)[N@H+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000263996614 386199402 /nfs/dbraw/zinc/19/94/02/386199402.db2.gz FIJGGQOVBRNZEW-SNVBAGLBSA-N 2 2 247.346 2.100 20 0 BEADLP CC[C@@H](C)[N@@H+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000263996614 386199409 /nfs/dbraw/zinc/19/94/09/386199409.db2.gz FIJGGQOVBRNZEW-SNVBAGLBSA-N 2 2 247.346 2.100 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340310876 386287316 /nfs/dbraw/zinc/28/73/16/386287316.db2.gz XWCNLCZGJADUBJ-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccnc1 ZINC000289393917 386294993 /nfs/dbraw/zinc/29/49/93/386294993.db2.gz FLBLFPBSINQUNR-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccnc1 ZINC000289393917 386294997 /nfs/dbraw/zinc/29/49/97/386294997.db2.gz FLBLFPBSINQUNR-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000425526955 386311782 /nfs/dbraw/zinc/31/17/82/386311782.db2.gz YKEYBDLTBNOOHQ-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000425526955 386311789 /nfs/dbraw/zinc/31/17/89/386311789.db2.gz YKEYBDLTBNOOHQ-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H](C)[NH3+] ZINC000415006270 386315303 /nfs/dbraw/zinc/31/53/03/386315303.db2.gz KGLBXVVLTHGUQM-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000289114008 386262650 /nfs/dbraw/zinc/26/26/50/386262650.db2.gz NENJZKHEYAQIIV-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000289114008 386262652 /nfs/dbraw/zinc/26/26/52/386262652.db2.gz NENJZKHEYAQIIV-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[NH+](CC)C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000339136463 386268020 /nfs/dbraw/zinc/26/80/20/386268020.db2.gz TXEMCOAGZGPKJM-JTQLQIEISA-N 2 2 247.346 2.100 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000415006598 386340279 /nfs/dbraw/zinc/34/02/79/386340279.db2.gz KQNIYMBEELUDFN-DTWKUNHWSA-N 2 2 227.377 2.092 20 0 BEADLP C[C@@]1(F)CC[NH+](CCC[N@H+]2CC[C@@](C)(F)C2)C1 ZINC000347350183 386347047 /nfs/dbraw/zinc/34/70/47/386347047.db2.gz MDUHWPXRXUCEGB-CHWSQXEVSA-N 2 2 246.345 2.244 20 0 BEADLP C[C@@]1(F)CC[NH+](CCC[N@@H+]2CC[C@@](C)(F)C2)C1 ZINC000347350183 386347052 /nfs/dbraw/zinc/34/70/52/386347052.db2.gz MDUHWPXRXUCEGB-CHWSQXEVSA-N 2 2 246.345 2.244 20 0 BEADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000336686979 386348116 /nfs/dbraw/zinc/34/81/16/386348116.db2.gz XETJMCBHKGBBEU-JTQLQIEISA-N 2 2 238.297 2.355 20 0 BEADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000336686979 386348118 /nfs/dbraw/zinc/34/81/18/386348118.db2.gz XETJMCBHKGBBEU-JTQLQIEISA-N 2 2 238.297 2.355 20 0 BEADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC000336686979 386348119 /nfs/dbraw/zinc/34/81/19/386348119.db2.gz XETJMCBHKGBBEU-JTQLQIEISA-N 2 2 238.297 2.355 20 0 BEADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000336686979 386348120 /nfs/dbraw/zinc/34/81/20/386348120.db2.gz XETJMCBHKGBBEU-JTQLQIEISA-N 2 2 238.297 2.355 20 0 BEADLP Cn1cc[nH+]c1CNc1cc(C2CC2)cc[nH+]1 ZINC000289914873 386371723 /nfs/dbraw/zinc/37/17/23/386371723.db2.gz UZABQOSVMJQLMM-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000289996156 386383022 /nfs/dbraw/zinc/38/30/22/386383022.db2.gz PDBILORNBRXFKM-NWDGAFQWSA-N 2 2 247.342 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000289589600 386332045 /nfs/dbraw/zinc/33/20/45/386332045.db2.gz ILKJRJWGEIPSIY-HIFRSBDPSA-N 2 2 248.370 2.337 20 0 BEADLP CC[C@@H](CSC)[N@H+](C)CCc1c[nH+]cn1C ZINC000298394140 386334542 /nfs/dbraw/zinc/33/45/42/386334542.db2.gz LMPMKZJZBQDSOG-NSHDSACASA-N 2 2 241.404 2.036 20 0 BEADLP CC[C@@H](CSC)[N@@H+](C)CCc1c[nH+]cn1C ZINC000298394140 386334546 /nfs/dbraw/zinc/33/45/46/386334546.db2.gz LMPMKZJZBQDSOG-NSHDSACASA-N 2 2 241.404 2.036 20 0 BEADLP COC[C@H]1CCCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414754687 386392086 /nfs/dbraw/zinc/39/20/86/386392086.db2.gz GLNDFPSKAIBJAV-KBPBESRZSA-N 2 2 242.407 2.108 20 0 BEADLP COC[C@H]1CCCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414754687 386392088 /nfs/dbraw/zinc/39/20/88/386392088.db2.gz GLNDFPSKAIBJAV-KBPBESRZSA-N 2 2 242.407 2.108 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000414908083 386392359 /nfs/dbraw/zinc/39/23/59/386392359.db2.gz AYJQGIHLSASNJD-WFASDCNBSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000414908198 386397549 /nfs/dbraw/zinc/39/75/49/386397549.db2.gz BCJAEAIBHWKCPY-VZFGUZNESA-N 2 2 230.355 2.287 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000336700761 386401037 /nfs/dbraw/zinc/40/10/37/386401037.db2.gz LGSKCCKWVLXJQK-AAEUAGOBSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000336700761 386401045 /nfs/dbraw/zinc/40/10/45/386401045.db2.gz LGSKCCKWVLXJQK-AAEUAGOBSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CCCO ZINC000290208411 386406692 /nfs/dbraw/zinc/40/66/92/386406692.db2.gz DPZQERQEIRRDKH-CYBMUJFWSA-N 2 2 236.359 2.073 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000414762860 386425757 /nfs/dbraw/zinc/42/57/57/386425757.db2.gz LXXUULWSJPZYKN-CHWSQXEVSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000414762860 386425763 /nfs/dbraw/zinc/42/57/63/386425763.db2.gz LXXUULWSJPZYKN-CHWSQXEVSA-N 2 2 242.407 2.107 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290879423 386484272 /nfs/dbraw/zinc/48/42/72/386484272.db2.gz KRFPXDFWWYUVMM-CHWSQXEVSA-N 2 2 236.359 2.336 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417350578 386487571 /nfs/dbraw/zinc/48/75/71/386487571.db2.gz AGPLJXPAQHOAQP-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339585495 386487956 /nfs/dbraw/zinc/48/79/56/386487956.db2.gz WSEQDANTMQNRSV-VXGBXAGGSA-N 2 2 237.322 2.128 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(F)cc1 ZINC000414779674 386491595 /nfs/dbraw/zinc/49/15/95/386491595.db2.gz AEPMZMBIYMSNDJ-LNSITVRQSA-N 2 2 248.345 2.223 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(F)cc1 ZINC000414779674 386491601 /nfs/dbraw/zinc/49/16/01/386491601.db2.gz AEPMZMBIYMSNDJ-LNSITVRQSA-N 2 2 248.345 2.223 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)CS1 ZINC000336756823 386491924 /nfs/dbraw/zinc/49/19/24/386491924.db2.gz JVBAYIHLBNQRIS-IJLUTSLNSA-N 2 2 230.421 2.056 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000415013079 386492070 /nfs/dbraw/zinc/49/20/70/386492070.db2.gz KAAAWSSMLFXJNJ-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000417355075 386493133 /nfs/dbraw/zinc/49/31/33/386493133.db2.gz NEGJRSXRROUEHH-CYBMUJFWSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+][C@H](C)C[NH+](C)C ZINC000336768962 386498885 /nfs/dbraw/zinc/49/88/85/386498885.db2.gz VDMOAPCNANJXCE-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000135295092 386500600 /nfs/dbraw/zinc/50/06/00/386500600.db2.gz LYGNTJZSGBKGJM-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000135295092 386500608 /nfs/dbraw/zinc/50/06/08/386500608.db2.gz LYGNTJZSGBKGJM-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1F ZINC000415024769 386513860 /nfs/dbraw/zinc/51/38/60/386513860.db2.gz ZBAODZDOMXYFQD-UWVGGRQHSA-N 2 2 240.322 2.050 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1F ZINC000415031725 386519957 /nfs/dbraw/zinc/51/99/57/386519957.db2.gz FDXCFMVXRUFMJS-ZDUSSCGKSA-N 2 2 236.334 2.364 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@@H](CC3CC3)C2)c[nH+]1 ZINC000339682008 386520119 /nfs/dbraw/zinc/52/01/19/386520119.db2.gz WXPGNINKUWXHTA-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@@H](CC3CC3)C2)c[nH+]1 ZINC000339682008 386520122 /nfs/dbraw/zinc/52/01/22/386520122.db2.gz WXPGNINKUWXHTA-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1C ZINC000519694621 386527706 /nfs/dbraw/zinc/52/77/06/386527706.db2.gz UDAUURSWKOPQQQ-NTZNESFSSA-N 2 2 233.359 2.354 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336778262 386458352 /nfs/dbraw/zinc/45/83/52/386458352.db2.gz KWAHTVYMMZSZOI-OLZOCXBDSA-N 2 2 230.371 2.446 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336778262 386458357 /nfs/dbraw/zinc/45/83/57/386458357.db2.gz KWAHTVYMMZSZOI-OLZOCXBDSA-N 2 2 230.371 2.446 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414920909 386574489 /nfs/dbraw/zinc/57/44/89/386574489.db2.gz AOKZAFLEIGYSBQ-AWEZNQCLSA-N 2 2 247.386 2.258 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1C ZINC000415080503 386587589 /nfs/dbraw/zinc/58/75/89/386587589.db2.gz YQYKUXPJZVHMSY-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000414803051 386595463 /nfs/dbraw/zinc/59/54/63/386595463.db2.gz IZNAFZLGOUKMTQ-SNVBAGLBSA-N 2 2 230.764 2.228 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+](C)C1CC1 ZINC000519700715 386536595 /nfs/dbraw/zinc/53/65/95/386536595.db2.gz BADIOWDJACEDBU-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+](C)C1CC1 ZINC000519700715 386536600 /nfs/dbraw/zinc/53/66/00/386536600.db2.gz BADIOWDJACEDBU-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000415059710 386541136 /nfs/dbraw/zinc/54/11/36/386541136.db2.gz VMSUJGXLYVZUGF-NSHDSACASA-N 2 2 242.313 2.428 20 0 BEADLP Clc1c[nH+]ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000267427904 386541581 /nfs/dbraw/zinc/54/15/81/386541581.db2.gz VYZBDASDVXLNEB-LLVKDONJSA-N 2 2 249.745 2.186 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c(F)c1 ZINC000414789843 386542202 /nfs/dbraw/zinc/54/22/02/386542202.db2.gz FWLBSEOANWLVRA-LBPRGKRZSA-N 2 2 228.286 2.038 20 0 BEADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCOCC1 ZINC000415064768 386547170 /nfs/dbraw/zinc/54/71/70/386547170.db2.gz LPXIBQKBOAVJFX-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP Cc1csc(C[NH2+][C@H](C[NH3+])C2CCCC2)n1 ZINC000415067404 386548096 /nfs/dbraw/zinc/54/80/96/386548096.db2.gz PBNTVRYOFWVCFG-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccccc1F)C1CCCC1 ZINC000415065721 386548946 /nfs/dbraw/zinc/54/89/46/386548946.db2.gz NHNJCTOAVATAGW-AWEZNQCLSA-N 2 2 236.334 2.433 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000415084117 386597141 /nfs/dbraw/zinc/59/71/41/386597141.db2.gz OBXGBVFOONWKDN-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)nc1C ZINC000314326970 386549745 /nfs/dbraw/zinc/54/97/45/386549745.db2.gz SSHOPHDHVYPEBP-DZGCQCFKSA-N 2 2 247.386 2.319 20 0 BEADLP FC(F)(F)C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000278567195 386549782 /nfs/dbraw/zinc/54/97/82/386549782.db2.gz BVUAMGRRFQZUCW-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000228286271 386557403 /nfs/dbraw/zinc/55/74/03/386557403.db2.gz PFAJGKJBKUPJRY-BYNQJWBRSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000228286271 386557409 /nfs/dbraw/zinc/55/74/09/386557409.db2.gz PFAJGKJBKUPJRY-BYNQJWBRSA-N 2 2 222.376 2.390 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)cs1)C1CC1 ZINC000414803049 386597881 /nfs/dbraw/zinc/59/78/81/386597881.db2.gz IZNAFZLGOUKMTQ-JTQLQIEISA-N 2 2 230.764 2.228 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000415111561 386620629 /nfs/dbraw/zinc/62/06/29/386620629.db2.gz REMCWAMOHQZSNV-KOLCDFICSA-N 2 2 240.297 2.020 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335497429 386621959 /nfs/dbraw/zinc/62/19/59/386621959.db2.gz YBAOKKUXFYKTGN-WCQYABFASA-N 2 2 234.343 2.389 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc(-c2ccncc2)c1 ZINC000415102484 386623500 /nfs/dbraw/zinc/62/35/00/386623500.db2.gz DTQDENDGDGIWQK-UHFFFAOYSA-N 2 2 241.338 2.139 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc(-c2ccncc2)c1 ZINC000415102484 386623504 /nfs/dbraw/zinc/62/35/04/386623504.db2.gz DTQDENDGDGIWQK-UHFFFAOYSA-N 2 2 241.338 2.139 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(O)c1 ZINC000335498357 386623971 /nfs/dbraw/zinc/62/39/71/386623971.db2.gz KONFWDHBVWYSKB-YPMHNXCESA-N 2 2 234.343 2.185 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000520327016 386647550 /nfs/dbraw/zinc/64/75/50/386647550.db2.gz GDKQMLWSRTXYOH-GFCCVEGCSA-N 2 2 239.338 2.349 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000520327016 386647555 /nfs/dbraw/zinc/64/75/55/386647555.db2.gz GDKQMLWSRTXYOH-GFCCVEGCSA-N 2 2 239.338 2.349 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336782854 386650594 /nfs/dbraw/zinc/65/05/94/386650594.db2.gz YVCOELXKSBEEKT-MBNYWOFBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336782854 386650597 /nfs/dbraw/zinc/65/05/97/386650597.db2.gz YVCOELXKSBEEKT-MBNYWOFBSA-N 2 2 222.376 2.249 20 0 BEADLP CO[C@@H](C)[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000278923473 386606648 /nfs/dbraw/zinc/60/66/48/386606648.db2.gz KRFPXDFWWYUVMM-STQMWFEESA-N 2 2 236.359 2.336 20 0 BEADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091097 386611330 /nfs/dbraw/zinc/61/13/30/386611330.db2.gz BOOAQAHTUOMMRD-MELADBBJSA-N 2 2 242.407 2.025 20 0 BEADLP Cc1cc(C[N@H+](C)CC[NH3+])ccc1C(F)(F)F ZINC000415108301 386617071 /nfs/dbraw/zinc/61/70/71/386617071.db2.gz MDQFKYJQXHYVSW-UHFFFAOYSA-N 2 2 246.276 2.404 20 0 BEADLP Cc1cc(C[N@@H+](C)CC[NH3+])ccc1C(F)(F)F ZINC000415108301 386617075 /nfs/dbraw/zinc/61/70/75/386617075.db2.gz MDQFKYJQXHYVSW-UHFFFAOYSA-N 2 2 246.276 2.404 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335496265 386618380 /nfs/dbraw/zinc/61/83/80/386618380.db2.gz OZBXLAHKEIYSLY-OLZOCXBDSA-N 2 2 233.359 2.183 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000050227820 386687602 /nfs/dbraw/zinc/68/76/02/386687602.db2.gz OZXZTFUYKLGUSR-CYBMUJFWSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000050227820 386687608 /nfs/dbraw/zinc/68/76/08/386687608.db2.gz OZXZTFUYKLGUSR-CYBMUJFWSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414927059 386688128 /nfs/dbraw/zinc/68/81/28/386688128.db2.gz LUJSCSZBFXYRDN-HIFRSBDPSA-N 2 2 232.371 2.391 20 0 BEADLP COc1ccsc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414833497 386714470 /nfs/dbraw/zinc/71/44/70/386714470.db2.gz FVHCERSJDKYSBX-SNVBAGLBSA-N 2 2 242.388 2.220 20 0 BEADLP COc1ccccc1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414832907 386721568 /nfs/dbraw/zinc/72/15/68/386721568.db2.gz FEZRASLTRRQMFU-CYBMUJFWSA-N 2 2 236.359 2.158 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000292808481 386730059 /nfs/dbraw/zinc/73/00/59/386730059.db2.gz OKMLKOPBQMVKSF-HNNXBMFYSA-N 2 2 248.370 2.370 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000292808481 386730067 /nfs/dbraw/zinc/73/00/67/386730067.db2.gz OKMLKOPBQMVKSF-HNNXBMFYSA-N 2 2 248.370 2.370 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000292808481 386730070 /nfs/dbraw/zinc/73/00/70/386730070.db2.gz OKMLKOPBQMVKSF-HNNXBMFYSA-N 2 2 248.370 2.370 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000292808481 386730078 /nfs/dbraw/zinc/73/00/78/386730078.db2.gz OKMLKOPBQMVKSF-HNNXBMFYSA-N 2 2 248.370 2.370 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336761516 386765607 /nfs/dbraw/zinc/76/56/07/386765607.db2.gz NFWYAUCBICJSQZ-RWMBFGLXSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336761516 386765612 /nfs/dbraw/zinc/76/56/12/386765612.db2.gz NFWYAUCBICJSQZ-RWMBFGLXSA-N 2 2 212.381 2.493 20 0 BEADLP CCC[NH2+][C@@H](C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414497902 386741657 /nfs/dbraw/zinc/74/16/57/386741657.db2.gz VCSLWUAPHNYABZ-VHSXEESVSA-N 2 2 240.351 2.176 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1C ZINC000414934192 386792193 /nfs/dbraw/zinc/79/21/93/386792193.db2.gz BEHGOJZSUZDWRM-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414932110 386775121 /nfs/dbraw/zinc/77/51/21/386775121.db2.gz QSPFPGZUKLWIQF-QADGWQRPSA-N 2 2 248.345 2.427 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414932121 386775931 /nfs/dbraw/zinc/77/59/31/386775931.db2.gz QSPFPGZUKLWIQF-RDYIKARRSA-N 2 2 248.345 2.427 20 0 BEADLP CO[C@@H](C)CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000269358259 386783395 /nfs/dbraw/zinc/78/33/95/386783395.db2.gz NRGIMFMGDGMPKY-LBPRGKRZSA-N 2 2 247.342 2.157 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000414935086 386802237 /nfs/dbraw/zinc/80/22/37/386802237.db2.gz UGAUVQJDDJFGHM-GXFFZTMASA-N 2 2 238.762 2.428 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414935706 386812356 /nfs/dbraw/zinc/81/23/56/386812356.db2.gz UOSCNURYOUSKJC-ZFWWWQNUSA-N 2 2 232.371 2.391 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051627263 386835751 /nfs/dbraw/zinc/83/57/51/386835751.db2.gz MTSQQNLQGDYCFG-KBPBESRZSA-N 2 2 218.344 2.479 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000334786495 386846879 /nfs/dbraw/zinc/84/68/79/386846879.db2.gz SQZXTUSDACWGGW-JSGCOSHPSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCCC[NH2+]1 ZINC000395086116 386854069 /nfs/dbraw/zinc/85/40/69/386854069.db2.gz RQROOYSIAZLVPH-CMPLNLGQSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC000301694108 386868665 /nfs/dbraw/zinc/86/86/65/386868665.db2.gz OWEMAMVTOKWLOF-CYBMUJFWSA-N 2 2 248.374 2.156 20 0 BEADLP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC000301694108 386868671 /nfs/dbraw/zinc/86/86/71/386868671.db2.gz OWEMAMVTOKWLOF-CYBMUJFWSA-N 2 2 248.374 2.156 20 0 BEADLP Cc1oc2ccccc2c1C[NH2+][C@H](C)C[NH3+] ZINC000414940160 386876383 /nfs/dbraw/zinc/87/63/83/386876383.db2.gz ZGQIOXYWWQQERM-SECBINFHSA-N 2 2 218.300 2.178 20 0 BEADLP Clc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000334843914 386890322 /nfs/dbraw/zinc/89/03/22/386890322.db2.gz REBMSPSIWMBARQ-TVQRCGJNSA-N 2 2 236.746 2.279 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358082978 386890967 /nfs/dbraw/zinc/89/09/67/386890967.db2.gz OPZRPGHNQJLYFM-JSGCOSHPSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358082978 386890973 /nfs/dbraw/zinc/89/09/73/386890973.db2.gz OPZRPGHNQJLYFM-JSGCOSHPSA-N 2 2 248.370 2.125 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334861902 386915875 /nfs/dbraw/zinc/91/58/75/386915875.db2.gz FNKCTEPPBUNLEO-YGRLFVJLSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000334863325 386917159 /nfs/dbraw/zinc/91/71/59/386917159.db2.gz MNXIHINERDDGFP-OCCSQVGLSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@H]1C[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335770865 386917238 /nfs/dbraw/zinc/91/72/38/386917238.db2.gz ZPGOQINHMILJLX-CMPLNLGQSA-N 2 2 219.332 2.245 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000334863278 386917298 /nfs/dbraw/zinc/91/72/98/386917298.db2.gz MLCDVIQMIUYLJS-JSGCOSHPSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414943171 386895432 /nfs/dbraw/zinc/89/54/32/386895432.db2.gz LPVKOOBRAPTBQK-NSHDSACASA-N 2 2 230.311 2.383 20 0 BEADLP Cc1cc2cc(C[NH2+][C@@H](C)C[NH3+])oc2cc1C ZINC000414942345 386900441 /nfs/dbraw/zinc/90/04/41/386900441.db2.gz KBKSZXWWFMXSEC-NSHDSACASA-N 2 2 232.327 2.486 20 0 BEADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000334852919 386903263 /nfs/dbraw/zinc/90/32/63/386903263.db2.gz CDXCZZREUKOSAS-TVQRCGJNSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC[NH3+] ZINC000334864408 386919836 /nfs/dbraw/zinc/91/98/36/386919836.db2.gz OTQKCSGIGYKCDN-SECBINFHSA-N 2 2 240.297 2.233 20 0 BEADLP C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC[NH3+] ZINC000334864408 386919840 /nfs/dbraw/zinc/91/98/40/386919840.db2.gz OTQKCSGIGYKCDN-SECBINFHSA-N 2 2 240.297 2.233 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334864486 386919909 /nfs/dbraw/zinc/91/99/09/386919909.db2.gz GCJYLCXWBALUQP-RISCZKNCSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000334865217 386920943 /nfs/dbraw/zinc/92/09/43/386920943.db2.gz RJMRSVFYJSXDGL-CABZTGNLSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000334866070 386924427 /nfs/dbraw/zinc/92/44/27/386924427.db2.gz WBCGCQBYADPVTI-GXSJLCMTSA-N 2 2 224.373 2.144 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000334869900 386931226 /nfs/dbraw/zinc/93/12/26/386931226.db2.gz QEWPIKMJBOZOSH-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000334869900 386931228 /nfs/dbraw/zinc/93/12/28/386931228.db2.gz QEWPIKMJBOZOSH-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccoc1 ZINC000368100619 386942800 /nfs/dbraw/zinc/94/28/00/386942800.db2.gz IIZNPCHDOGQLQC-MWLCHTKSSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccoc1 ZINC000368100619 386942803 /nfs/dbraw/zinc/94/28/03/386942803.db2.gz IIZNPCHDOGQLQC-MWLCHTKSSA-N 2 2 231.299 2.211 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000425360236 386978199 /nfs/dbraw/zinc/97/81/99/386978199.db2.gz QVHSGOICWJRTMT-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000425361479 386983399 /nfs/dbraw/zinc/98/33/99/386983399.db2.gz SIMCIEPILZVVEB-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000425361479 386983400 /nfs/dbraw/zinc/98/34/00/386983400.db2.gz SIMCIEPILZVVEB-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)C[C@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000368665015 386999557 /nfs/dbraw/zinc/99/95/57/386999557.db2.gz ABEOIYBKJQZBDG-LBPRGKRZSA-N 2 2 221.348 2.381 20 0 BEADLP CC(C)C[C@H](C)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000368665015 386999561 /nfs/dbraw/zinc/99/95/61/386999561.db2.gz ABEOIYBKJQZBDG-LBPRGKRZSA-N 2 2 221.348 2.381 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1C ZINC000321925012 387004845 /nfs/dbraw/zinc/00/48/45/387004845.db2.gz RQQLEEZFOFMVSY-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000053201394 387020107 /nfs/dbraw/zinc/02/01/07/387020107.db2.gz IXQQEXHYEJTHEQ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000053201394 387020110 /nfs/dbraw/zinc/02/01/10/387020110.db2.gz IXQQEXHYEJTHEQ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000053201753 387020153 /nfs/dbraw/zinc/02/01/53/387020153.db2.gz WRZVVJFXULXYFU-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000053201753 387020158 /nfs/dbraw/zinc/02/01/58/387020158.db2.gz WRZVVJFXULXYFU-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000070893218 387079097 /nfs/dbraw/zinc/07/90/97/387079097.db2.gz IHOCYWPFIRXXGF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000070893218 387079102 /nfs/dbraw/zinc/07/91/02/387079102.db2.gz IHOCYWPFIRXXGF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP CCc1ccccc1C[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000070893041 387079323 /nfs/dbraw/zinc/07/93/23/387079323.db2.gz DFIKMUORIFPLDL-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000070893041 387079327 /nfs/dbraw/zinc/07/93/27/387079327.db2.gz DFIKMUORIFPLDL-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000228128475 387079283 /nfs/dbraw/zinc/07/92/83/387079283.db2.gz PEYXXZNCRIEZQI-BPLDGKMQSA-N 2 2 232.371 2.330 20 0 BEADLP CCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066535545 387087324 /nfs/dbraw/zinc/08/73/24/387087324.db2.gz JVKPQLZQNIINHV-CYBMUJFWSA-N 2 2 210.365 2.347 20 0 BEADLP CCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066535545 387087327 /nfs/dbraw/zinc/08/73/27/387087327.db2.gz JVKPQLZQNIINHV-CYBMUJFWSA-N 2 2 210.365 2.347 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000070733712 387090475 /nfs/dbraw/zinc/09/04/75/387090475.db2.gz SLJUSNAABOMVFC-GHMZBOCLSA-N 2 2 239.388 2.102 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000070733713 387091090 /nfs/dbraw/zinc/09/10/90/387091090.db2.gz SLJUSNAABOMVFC-WDEREUQCSA-N 2 2 239.388 2.102 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000160730296 387108885 /nfs/dbraw/zinc/10/88/85/387108885.db2.gz MUHIFQFAJRDSKP-OSAQELSMSA-N 2 2 230.355 2.119 20 0 BEADLP CC(C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000068983633 387110523 /nfs/dbraw/zinc/11/05/23/387110523.db2.gz FZCZKZUMXNUDIJ-UHFFFAOYSA-N 2 2 215.300 2.370 20 0 BEADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335031239 387127666 /nfs/dbraw/zinc/12/76/66/387127666.db2.gz GOVBRPBAFIIPIW-DOMZBBRYSA-N 2 2 245.370 2.275 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423312209 387149702 /nfs/dbraw/zinc/14/97/02/387149702.db2.gz CUMKJVJELVQBOG-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423313165 387151884 /nfs/dbraw/zinc/15/18/84/387151884.db2.gz UDTHWIDMSNIFFY-LBPRGKRZSA-N 2 2 238.379 2.114 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]CCOC)C1CCCC1 ZINC000423317391 387156175 /nfs/dbraw/zinc/15/61/75/387156175.db2.gz AXVVUQWSQNJILF-CQSZACIVSA-N 2 2 242.407 2.171 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000423316891 387156913 /nfs/dbraw/zinc/15/69/13/387156913.db2.gz YJIXQDQSPCSDHX-GFCCVEGCSA-N 2 2 236.359 2.345 20 0 BEADLP COC[C@@H](CC(C)C)[NH2+]CC[NH+]1CCCCC1 ZINC000359729143 387157309 /nfs/dbraw/zinc/15/73/09/387157309.db2.gz JUOITCHXDHZHGS-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1F ZINC000423318682 387160002 /nfs/dbraw/zinc/16/00/02/387160002.db2.gz DEFZMNZIVKDSFZ-PRHODGIISA-N 2 2 228.286 2.353 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)C1CCCCCC1 ZINC000423322768 387164181 /nfs/dbraw/zinc/16/41/81/387164181.db2.gz GXAFGLVQZXGOIK-CYBMUJFWSA-N 2 2 242.407 2.171 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)o1 ZINC000423321695 387165098 /nfs/dbraw/zinc/16/50/98/387165098.db2.gz NMPDLDMLPXCOBD-SKDRFNHKSA-N 2 2 222.332 2.230 20 0 BEADLP CC(C)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418146550 387169497 /nfs/dbraw/zinc/16/94/97/387169497.db2.gz PWXRFHDVMQOLAO-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP CC(C)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418146550 387169500 /nfs/dbraw/zinc/16/95/00/387169500.db2.gz PWXRFHDVMQOLAO-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423331632 387176325 /nfs/dbraw/zinc/17/63/25/387176325.db2.gz USEPXWIRVHFYHX-BXUZGUMPSA-N 2 2 248.370 2.392 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423336222 387184225 /nfs/dbraw/zinc/18/42/25/387184225.db2.gz UGHCKLDILHPAPF-GHMZBOCLSA-N 2 2 229.327 2.233 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)no1 ZINC000423335517 387184470 /nfs/dbraw/zinc/18/44/70/387184470.db2.gz IZSMOPVJGDFPFZ-YPMHNXCESA-N 2 2 237.347 2.023 20 0 BEADLP CC(C)C[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccn1 ZINC000423338566 387188450 /nfs/dbraw/zinc/18/84/50/387188450.db2.gz WDNLXJNHKVSKKS-DGCLKSJQSA-N 2 2 221.348 2.106 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccn1 ZINC000423304279 387138097 /nfs/dbraw/zinc/13/80/97/387138097.db2.gz YHBOFIUVZWUCEK-VXGBXAGGSA-N 2 2 221.348 2.250 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cs1 ZINC000423354770 387205005 /nfs/dbraw/zinc/20/50/05/387205005.db2.gz GWJOEIGKDKDUPE-MWLCHTKSSA-N 2 2 239.388 2.244 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000423357533 387207331 /nfs/dbraw/zinc/20/73/31/387207331.db2.gz IGVXTHXUIBBOAX-KMUNFCNLSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000162027519 387207565 /nfs/dbraw/zinc/20/75/65/387207565.db2.gz PFWGLJMENSFTOS-SSDOTTSWSA-N 2 2 233.142 2.430 20 0 BEADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)C[NH3+])CCCO2 ZINC000423359965 387213849 /nfs/dbraw/zinc/21/38/49/387213849.db2.gz DVNHBJJWPKVYIL-GXTWGEPZSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1csc(Cl)c1 ZINC000423429310 387254027 /nfs/dbraw/zinc/25/40/27/387254027.db2.gz KELDVWDNYZUXQD-CNABLZDZSA-N 2 2 242.775 2.270 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccncc1 ZINC000423363292 387216416 /nfs/dbraw/zinc/21/64/16/387216416.db2.gz NWFNCGSCNBHPCP-UBHSHLNASA-N 2 2 233.359 2.120 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000423366344 387218055 /nfs/dbraw/zinc/21/80/55/387218055.db2.gz QETSUOQJMWDUMQ-JFGNBEQYSA-N 2 2 224.373 2.397 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000423369421 387223182 /nfs/dbraw/zinc/22/31/82/387223182.db2.gz BZGQZZAQDGZNFC-VXGBXAGGSA-N 2 2 221.348 2.039 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000423370591 387223205 /nfs/dbraw/zinc/22/32/05/387223205.db2.gz UJWMYNPOEBJCOL-RAIGVLPGSA-N 2 2 234.343 2.245 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]CCn2cc[nH+]c2)cn1 ZINC000353566518 387230343 /nfs/dbraw/zinc/23/03/43/387230343.db2.gz DVTYFIXHHAVYAA-UHFFFAOYSA-N 2 2 244.342 2.111 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423373784 387230441 /nfs/dbraw/zinc/23/04/41/387230441.db2.gz SFSRXFOWISNZII-AAEUAGOBSA-N 2 2 234.343 2.146 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000353560009 387230871 /nfs/dbraw/zinc/23/08/71/387230871.db2.gz GSZHMYMJKPRDHD-JTQLQIEISA-N 2 2 242.750 2.317 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000353560009 387230872 /nfs/dbraw/zinc/23/08/72/387230872.db2.gz GSZHMYMJKPRDHD-JTQLQIEISA-N 2 2 242.750 2.317 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423326823 387231925 /nfs/dbraw/zinc/23/19/25/387231925.db2.gz REEUPACXSJLFIA-SMDDNHRTSA-N 2 2 248.370 2.473 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000423403072 387238277 /nfs/dbraw/zinc/23/82/77/387238277.db2.gz YBUVAEVOPJPIOJ-GMTAPVOTSA-N 2 2 208.305 2.071 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C2 ZINC000353606008 387239792 /nfs/dbraw/zinc/23/97/92/387239792.db2.gz CXBJSKNNBLBFRG-FRRDWIJNSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)CC2 ZINC000353606008 387239795 /nfs/dbraw/zinc/23/97/95/387239795.db2.gz CXBJSKNNBLBFRG-FRRDWIJNSA-N 2 2 245.370 2.435 20 0 BEADLP COC[C@]1(C[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000423414822 387248914 /nfs/dbraw/zinc/24/89/14/387248914.db2.gz COKBKHUEXDNRSK-DZGCQCFKSA-N 2 2 248.370 2.106 20 0 BEADLP COC[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353656102 387250344 /nfs/dbraw/zinc/25/03/44/387250344.db2.gz KBDURXFAWXBQPU-OAHLLOKOSA-N 2 2 248.370 2.291 20 0 BEADLP COC[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353656102 387250349 /nfs/dbraw/zinc/25/03/49/387250349.db2.gz KBDURXFAWXBQPU-OAHLLOKOSA-N 2 2 248.370 2.291 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1Cl ZINC000162036110 387252103 /nfs/dbraw/zinc/25/21/03/387252103.db2.gz DBUYLHCNKUOXHU-SSDOTTSWSA-N 2 2 233.142 2.430 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2([NH+](C)C)CC2)cn1 ZINC000418111909 387194240 /nfs/dbraw/zinc/19/42/40/387194240.db2.gz GCQACEAPRVNPAT-UHFFFAOYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423464028 387312486 /nfs/dbraw/zinc/31/24/86/387312486.db2.gz LTWMVKDWOJBIAZ-WCBMZHEXSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000423465566 387312948 /nfs/dbraw/zinc/31/29/48/387312948.db2.gz MSGLASLTESMSJC-PWSUYJOCSA-N 2 2 238.379 2.160 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccc1OC ZINC000423464200 387313218 /nfs/dbraw/zinc/31/32/18/387313218.db2.gz LXZCOIYIUUFWEN-WCQYABFASA-N 2 2 236.359 2.473 20 0 BEADLP CCS[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000286124235 387314425 /nfs/dbraw/zinc/31/44/25/387314425.db2.gz MIXDVYDDBCKMQJ-RYUDHWBXSA-N 2 2 239.388 2.147 20 0 BEADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000286124233 387314619 /nfs/dbraw/zinc/31/46/19/387314619.db2.gz MIXDVYDDBCKMQJ-NWDGAFQWSA-N 2 2 239.388 2.147 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1F ZINC000423466388 387314877 /nfs/dbraw/zinc/31/48/77/387314877.db2.gz NLILXBKFJBZLAK-ZJUUUORDSA-N 2 2 210.296 2.214 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423467028 387315263 /nfs/dbraw/zinc/31/52/63/387315263.db2.gz NWGJREJJOMWYDV-NWDGAFQWSA-N 2 2 236.359 2.473 20 0 BEADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cnn1C(C)C ZINC000423466845 387315514 /nfs/dbraw/zinc/31/55/14/387315514.db2.gz NRGXVEIYVXDBAH-AXFHLTTASA-N 2 2 238.379 2.159 20 0 BEADLP C[NH2+][C@H](C)C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423376461 387256680 /nfs/dbraw/zinc/25/66/80/387256680.db2.gz ATDBBIQQZZBDNT-IMSIIYSGSA-N 2 2 236.334 2.257 20 0 BEADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CCCO2 ZINC000423375581 387258161 /nfs/dbraw/zinc/25/81/61/387258161.db2.gz UEGOOIXJDNSHES-GXTWGEPZSA-N 2 2 248.370 2.454 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000423376478 387258269 /nfs/dbraw/zinc/25/82/69/387258269.db2.gz JKZUZRIFXJRGJW-BDAKNGLRSA-N 2 2 241.404 2.409 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423377210 387259676 /nfs/dbraw/zinc/25/96/76/387259676.db2.gz KBOGNWIMHJXFIF-CHWSQXEVSA-N 2 2 249.402 2.401 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000423383384 387264354 /nfs/dbraw/zinc/26/43/54/387264354.db2.gz PPBXZIBBOHFLOR-AVGNSLFASA-N 2 2 233.359 2.181 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000423392473 387279550 /nfs/dbraw/zinc/27/95/50/387279550.db2.gz XNTOLYCYDDQFQK-MNOVXSKESA-N 2 2 224.323 2.474 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC12CC2 ZINC000514735093 387281954 /nfs/dbraw/zinc/28/19/54/387281954.db2.gz VLSPRLKEXSGYDG-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)[C@H](C)[NH3+] ZINC000423438083 387288424 /nfs/dbraw/zinc/28/84/24/387288424.db2.gz GRZWFWSIHWVFGY-RNJXMRFFSA-N 2 2 246.276 2.490 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000360461810 387290839 /nfs/dbraw/zinc/29/08/39/387290839.db2.gz VVOHZXUAQRLBMC-AAEUAGOBSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1CCn1cc[nH+]c1C ZINC000360461810 387290842 /nfs/dbraw/zinc/29/08/42/387290842.db2.gz VVOHZXUAQRLBMC-AAEUAGOBSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCC2=CCCC2)n1C ZINC000514799856 387295737 /nfs/dbraw/zinc/29/57/37/387295737.db2.gz WMZALQJRWDIBIK-UHFFFAOYSA-N 2 2 219.332 2.319 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423449531 387296737 /nfs/dbraw/zinc/29/67/37/387296737.db2.gz RTKVKEAIIPWCMK-SRVKXCTJSA-N 2 2 236.359 2.472 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(F)cn1 ZINC000423449538 387298245 /nfs/dbraw/zinc/29/82/45/387298245.db2.gz RTSWVZFSSMCKTI-NRUUGDAUSA-N 2 2 239.338 2.243 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423451804 387298833 /nfs/dbraw/zinc/29/88/33/387298833.db2.gz VLGHSABKAOYBDJ-CIUDSAMLSA-N 2 2 228.361 2.143 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)[C@H](C)[NH3+] ZINC000423451891 387300490 /nfs/dbraw/zinc/30/04/90/387300490.db2.gz VQZLESQPQBJTLK-YIZRAAEISA-N 2 2 227.739 2.121 20 0 BEADLP Cc1nc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cs1 ZINC000643452648 387304791 /nfs/dbraw/zinc/30/47/91/387304791.db2.gz WDJCNABWKBPXKU-RYUDHWBXSA-N 2 2 239.388 2.201 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000233795049 387305351 /nfs/dbraw/zinc/30/53/51/387305351.db2.gz XJFFELBOWWOWGC-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501755 387355186 /nfs/dbraw/zinc/35/51/86/387355186.db2.gz PHKBGHHAONKCNC-STQMWFEESA-N 2 2 233.359 2.183 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cncs1 ZINC000423526918 387356864 /nfs/dbraw/zinc/35/68/64/387356864.db2.gz LWVPKRUFKMCPKV-MWLCHTKSSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000423533933 387361231 /nfs/dbraw/zinc/36/12/31/387361231.db2.gz UTTKTCDUHSVQJP-ZYHUDNBSSA-N 2 2 222.332 2.448 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000643502882 387362558 /nfs/dbraw/zinc/36/25/58/387362558.db2.gz UNKNZLMZHSFGDQ-GXTWGEPZSA-N 2 2 233.359 2.183 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000643502884 387364164 /nfs/dbraw/zinc/36/41/64/387364164.db2.gz UNKNZLMZHSFGDQ-OCCSQVGLSA-N 2 2 233.359 2.183 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643502930 387365340 /nfs/dbraw/zinc/36/53/40/387365340.db2.gz VHNGARGWIWAKRJ-KGLIPLIRSA-N 2 2 233.359 2.264 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556869 387376017 /nfs/dbraw/zinc/37/60/17/387376017.db2.gz MVDZZLYXSHCZAD-OCCSQVGLSA-N 2 2 247.386 2.437 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)o1 ZINC000423476879 387323698 /nfs/dbraw/zinc/32/36/98/387323698.db2.gz SUXBUCHEYQVCEV-NXEZZACHSA-N 2 2 210.321 2.230 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423476850 387325182 /nfs/dbraw/zinc/32/51/82/387325182.db2.gz SRKQYZJOZWTTSH-APPZFPTMSA-N 2 2 246.276 2.492 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000162229842 387331120 /nfs/dbraw/zinc/33/11/20/387331120.db2.gz VXDZPFILTXFXFJ-UHFFFAOYSA-N 2 2 233.290 2.154 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000162229842 387331127 /nfs/dbraw/zinc/33/11/27/387331127.db2.gz VXDZPFILTXFXFJ-UHFFFAOYSA-N 2 2 233.290 2.154 20 0 BEADLP CO[C@@H](C)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354134120 387333561 /nfs/dbraw/zinc/33/35/61/387333561.db2.gz OKWXDTQVTGCABG-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000336512495 387335374 /nfs/dbraw/zinc/33/53/74/387335374.db2.gz ROIMLNGXXWGACM-GFCCVEGCSA-N 2 2 242.326 2.117 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623337465 387337164 /nfs/dbraw/zinc/33/71/64/387337164.db2.gz LHKHRERZBSJJSD-XBFCOCLRSA-N 2 2 224.392 2.352 20 0 BEADLP CCc1cccc(F)c1C[NH2+]CCC[NH+](C)C ZINC000354160086 387337808 /nfs/dbraw/zinc/33/78/08/387337808.db2.gz FRYJNRIDLBESCW-UHFFFAOYSA-N 2 2 238.350 2.429 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCCO2)c[nH+]1 ZINC000354157131 387337995 /nfs/dbraw/zinc/33/79/95/387337995.db2.gz FSWDLZDXEAQSFN-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000309805232 387344013 /nfs/dbraw/zinc/34/40/13/387344013.db2.gz RZQZBFHRVDTBAH-ZYHUDNBSSA-N 2 2 220.360 2.144 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000309805232 387344019 /nfs/dbraw/zinc/34/40/19/387344019.db2.gz RZQZBFHRVDTBAH-ZYHUDNBSSA-N 2 2 220.360 2.144 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506798 387461639 /nfs/dbraw/zinc/46/16/39/387461639.db2.gz IXQKHILPUDEKPH-SNVBAGLBSA-N 2 2 224.373 2.021 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000643505749 387453086 /nfs/dbraw/zinc/45/30/86/387453086.db2.gz FXUVCEXMVZQAQI-AAEUAGOBSA-N 2 2 233.359 2.101 20 0 BEADLP COC1([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)CCCC1 ZINC000421850887 387454020 /nfs/dbraw/zinc/45/40/20/387454020.db2.gz FDLYROJXZGASNU-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CSC1(C[NH2+]C[C@H](C)[N@H+](C)C2CC2)CCC1 ZINC000304257936 387455785 /nfs/dbraw/zinc/45/57/85/387455785.db2.gz INRLTRNDXQGABC-NSHDSACASA-N 2 2 242.432 2.344 20 0 BEADLP CSC1(C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCC1 ZINC000304257936 387455789 /nfs/dbraw/zinc/45/57/89/387455789.db2.gz INRLTRNDXQGABC-NSHDSACASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)s1 ZINC000643506459 387459691 /nfs/dbraw/zinc/45/96/91/387459691.db2.gz XRULCVFTHYQNKK-SNVBAGLBSA-N 2 2 224.373 2.459 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000643503371 387390397 /nfs/dbraw/zinc/39/03/97/387390397.db2.gz HXXWRCDOMOPIKQ-DCAQKATOSA-N 2 2 239.388 2.182 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@H]1CCC[NH2+]C1 ZINC000643503374 387391271 /nfs/dbraw/zinc/39/12/71/387391271.db2.gz HXXWRCDOMOPIKQ-VWYCJHECSA-N 2 2 239.388 2.182 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000361081626 387399016 /nfs/dbraw/zinc/39/90/16/387399016.db2.gz NCKKFQLMXQPXHO-AWEZNQCLSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](O)C1(C)C ZINC000361081626 387399022 /nfs/dbraw/zinc/39/90/22/387399022.db2.gz NCKKFQLMXQPXHO-AWEZNQCLSA-N 2 2 248.370 2.168 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cc2cccnc2o1 ZINC000515769900 387420916 /nfs/dbraw/zinc/42/09/16/387420916.db2.gz LWQPAAQZFKMWPJ-UHFFFAOYSA-N 2 2 247.342 2.211 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2cccnc2o1 ZINC000515769900 387420921 /nfs/dbraw/zinc/42/09/21/387420921.db2.gz LWQPAAQZFKMWPJ-UHFFFAOYSA-N 2 2 247.342 2.211 20 0 BEADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000643508857 387499976 /nfs/dbraw/zinc/49/99/76/387499976.db2.gz JAPOXYAENZSWBM-YGRLFVJLSA-N 2 2 244.342 2.069 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000300409780 387519717 /nfs/dbraw/zinc/51/97/17/387519717.db2.gz UBMHZXOASSXTLI-GJZGRUSLSA-N 2 2 232.371 2.331 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000300409780 387519721 /nfs/dbraw/zinc/51/97/21/387519721.db2.gz UBMHZXOASSXTLI-GJZGRUSLSA-N 2 2 232.371 2.331 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000397032440 387534211 /nfs/dbraw/zinc/53/42/11/387534211.db2.gz MAEIELLXYRULBR-DZGCQCFKSA-N 2 2 247.386 2.319 20 0 BEADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1(C)CC1 ZINC000122477565 387535617 /nfs/dbraw/zinc/53/56/17/387535617.db2.gz FTZICKVSDBNZNU-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219147 387538890 /nfs/dbraw/zinc/53/88/90/387538890.db2.gz IHRZLMUDOXDWIL-NWDGAFQWSA-N 2 2 228.355 2.293 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219147 387538895 /nfs/dbraw/zinc/53/88/95/387538895.db2.gz IHRZLMUDOXDWIL-NWDGAFQWSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219147 387538899 /nfs/dbraw/zinc/53/88/99/387538899.db2.gz IHRZLMUDOXDWIL-NWDGAFQWSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219147 387538903 /nfs/dbraw/zinc/53/89/03/387538903.db2.gz IHRZLMUDOXDWIL-NWDGAFQWSA-N 2 2 228.355 2.293 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643505822 387463125 /nfs/dbraw/zinc/46/31/25/387463125.db2.gz AMTHWVVCKUVZHI-AWEZNQCLSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643505857 387464335 /nfs/dbraw/zinc/46/43/35/387464335.db2.gz BUEPCFZMGAGOIA-JTQLQIEISA-N 2 2 224.373 2.459 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(F)c1 ZINC000643505852 387464400 /nfs/dbraw/zinc/46/44/00/387464400.db2.gz BOFWGWYRXZZXEJ-SNVBAGLBSA-N 2 2 222.307 2.228 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506242 387465303 /nfs/dbraw/zinc/46/53/03/387465303.db2.gz PLXSJMREBVMWGS-LBPRGKRZSA-N 2 2 248.370 2.488 20 0 BEADLP CCCC(C)(C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000516194587 387472982 /nfs/dbraw/zinc/47/29/82/387472982.db2.gz NPOUWHDLPGIHPX-UHFFFAOYSA-N 2 2 209.337 2.397 20 0 BEADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507256 387476121 /nfs/dbraw/zinc/47/61/21/387476121.db2.gz XGUVFXRYCRZNJM-CQSZACIVSA-N 2 2 246.354 2.242 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@H]2C)c[nH+]1 ZINC000355120528 387482467 /nfs/dbraw/zinc/48/24/67/387482467.db2.gz KBLNHAVWSHBRNH-IUODEOHRSA-N 2 2 248.370 2.337 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396705138 387483075 /nfs/dbraw/zinc/48/30/75/387483075.db2.gz OHJXZJAGYQMIBQ-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccnc1 ZINC000643507364 387485014 /nfs/dbraw/zinc/48/50/14/387485014.db2.gz AWJLCAOEJQIETG-CQSZACIVSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC000041050967 387588911 /nfs/dbraw/zinc/58/89/11/387588911.db2.gz CXFDKCXPHPGBHG-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP FC1(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000527514053 387591622 /nfs/dbraw/zinc/59/16/22/387591622.db2.gz NVVPVDVKKGPZEG-UHFFFAOYSA-N 2 2 245.301 2.464 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000643511210 387591751 /nfs/dbraw/zinc/59/17/51/387591751.db2.gz QAINGAXJOWVZLV-ONGXEEELSA-N 2 2 241.404 2.476 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)s1 ZINC000643511795 387594360 /nfs/dbraw/zinc/59/43/60/387594360.db2.gz OJEXENINNSAVFU-KWQFWETISA-N 2 2 241.404 2.394 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430593104 387629467 /nfs/dbraw/zinc/62/94/67/387629467.db2.gz DDPJCMFQLQAVTR-MGPQQGTHSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430593104 387629472 /nfs/dbraw/zinc/62/94/72/387629472.db2.gz DDPJCMFQLQAVTR-MGPQQGTHSA-N 2 2 240.391 2.005 20 0 BEADLP Clc1c[nH+]ccc1NCC[N@H+]1CC=CCC1 ZINC000280185765 387570806 /nfs/dbraw/zinc/57/08/06/387570806.db2.gz IIYWZMLUXFSAEJ-UHFFFAOYSA-N 2 2 237.734 2.409 20 0 BEADLP Clc1c[nH+]ccc1NCC[N@@H+]1CC=CCC1 ZINC000280185765 387570812 /nfs/dbraw/zinc/57/08/12/387570812.db2.gz IIYWZMLUXFSAEJ-UHFFFAOYSA-N 2 2 237.734 2.409 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000426472196 387572090 /nfs/dbraw/zinc/57/20/90/387572090.db2.gz OBJZZRVSFOFRGR-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000426472196 387572096 /nfs/dbraw/zinc/57/20/96/387572096.db2.gz OBJZZRVSFOFRGR-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP C[C@@H](F)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000375715927 387572125 /nfs/dbraw/zinc/57/21/25/387572125.db2.gz FYUXUAPWPBNJPO-LLVKDONJSA-N 2 2 225.311 2.268 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000426472193 387573509 /nfs/dbraw/zinc/57/35/09/387573509.db2.gz OBJZZRVSFOFRGR-CHWSQXEVSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000426472193 387573511 /nfs/dbraw/zinc/57/35/11/387573511.db2.gz OBJZZRVSFOFRGR-CHWSQXEVSA-N 2 2 219.332 2.148 20 0 BEADLP CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422731709 387641160 /nfs/dbraw/zinc/64/11/60/387641160.db2.gz OBTFBJUTGVNFSH-GJZGRUSLSA-N 2 2 248.370 2.488 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631312 387642627 /nfs/dbraw/zinc/64/26/27/387642627.db2.gz IVHUHUBCFVCFEI-UNQGMJICSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631312 387642631 /nfs/dbraw/zinc/64/26/31/387642631.db2.gz IVHUHUBCFVCFEI-UNQGMJICSA-N 2 2 236.403 2.495 20 0 BEADLP COc1ccc([C@H]([NH2+]C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422738804 387644992 /nfs/dbraw/zinc/64/49/92/387644992.db2.gz ZMJPNAXJOQSRPK-GJZGRUSLSA-N 2 2 246.354 2.240 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527638607 387648008 /nfs/dbraw/zinc/64/80/08/387648008.db2.gz XTQYAPPKLAQGCY-IMIFBBOLSA-N 2 2 233.359 2.296 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527638611 387648406 /nfs/dbraw/zinc/64/84/06/387648406.db2.gz XTQYAPPKLAQGCY-XCCSTKFXSA-N 2 2 233.359 2.296 20 0 BEADLP CO[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745994 387648572 /nfs/dbraw/zinc/64/85/72/387648572.db2.gz YSBDBLDCHHFDCZ-CFVMTHIKSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671219 387653657 /nfs/dbraw/zinc/65/36/57/387653657.db2.gz VBPUGCIMEMWREO-NEBZKDRISA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671219 387653661 /nfs/dbraw/zinc/65/36/61/387653661.db2.gz VBPUGCIMEMWREO-NEBZKDRISA-N 2 2 236.403 2.352 20 0 BEADLP CC(C)CCOCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000043619725 387658708 /nfs/dbraw/zinc/65/87/08/387658708.db2.gz XPMDIPCGHYBKTL-ZIAGYGMSSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000043619725 387658710 /nfs/dbraw/zinc/65/87/10/387658710.db2.gz XPMDIPCGHYBKTL-ZIAGYGMSSA-N 2 2 242.407 2.108 20 0 BEADLP C/C=C\C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623739306 387660723 /nfs/dbraw/zinc/66/07/23/387660723.db2.gz QGBGZKRTJNXTPZ-IHWYPQMZSA-N 2 2 201.273 2.000 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714008 387670160 /nfs/dbraw/zinc/67/01/60/387670160.db2.gz YDJWVYMNYCHPOS-IXOXFDKPSA-N 2 2 245.370 2.291 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714008 387670166 /nfs/dbraw/zinc/67/01/66/387670166.db2.gz YDJWVYMNYCHPOS-IXOXFDKPSA-N 2 2 245.370 2.291 20 0 BEADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000422783032 387681161 /nfs/dbraw/zinc/68/11/61/387681161.db2.gz KMFYRLCYURCEAV-HIFRSBDPSA-N 2 2 248.370 2.344 20 0 BEADLP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000422783033 387681950 /nfs/dbraw/zinc/68/19/50/387681950.db2.gz KMFYRLCYURCEAV-UKRRQHHQSA-N 2 2 248.370 2.344 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000044558453 387685890 /nfs/dbraw/zinc/68/58/90/387685890.db2.gz ZOFCFNDNYAHGTG-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000044558453 387685897 /nfs/dbraw/zinc/68/58/97/387685897.db2.gz ZOFCFNDNYAHGTG-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000422788061 387686902 /nfs/dbraw/zinc/68/69/02/387686902.db2.gz VDTZVXQKUBRKFI-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP CC[C@H](F)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440778015 387692306 /nfs/dbraw/zinc/69/23/06/387692306.db2.gz JJEGEIDIOXWUPG-QWRGUYRKSA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@H](F)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440778015 387692310 /nfs/dbraw/zinc/69/23/10/387692310.db2.gz JJEGEIDIOXWUPG-QWRGUYRKSA-N 2 2 225.311 2.337 20 0 BEADLP COC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753175 387692523 /nfs/dbraw/zinc/69/25/23/387692523.db2.gz QFDNJNGPTVNTQM-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP COC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527753175 387692528 /nfs/dbraw/zinc/69/25/28/387692528.db2.gz QFDNJNGPTVNTQM-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000643526257 387749033 /nfs/dbraw/zinc/74/90/33/387749033.db2.gz WVYDSRPXMRUTSC-BDAKNGLRSA-N 2 2 244.285 2.286 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527841264 387751212 /nfs/dbraw/zinc/75/12/12/387751212.db2.gz BNSDACGLNDNBGN-VXGBXAGGSA-N 2 2 219.332 2.051 20 0 BEADLP CCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367793823 387751923 /nfs/dbraw/zinc/75/19/23/387751923.db2.gz PTYFFPHQVYBVGL-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367793823 387751929 /nfs/dbraw/zinc/75/19/29/387751929.db2.gz PTYFFPHQVYBVGL-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422872768 387752304 /nfs/dbraw/zinc/75/23/04/387752304.db2.gz INLSBAURZOQVEZ-JSGCOSHPSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CC12CC2 ZINC000527844559 387753789 /nfs/dbraw/zinc/75/37/89/387753789.db2.gz GRIWKLULXQZAPG-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]([NH2+]Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000422799886 387698141 /nfs/dbraw/zinc/69/81/41/387698141.db2.gz AFTHAJJKLZNXFZ-TVQRCGJNSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000422798871 387699666 /nfs/dbraw/zinc/69/96/66/387699666.db2.gz TXKWLQJGVNDMDA-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422803687 387703262 /nfs/dbraw/zinc/70/32/62/387703262.db2.gz GEPXCLMGISZWRU-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccn1 ZINC000527807977 387732314 /nfs/dbraw/zinc/73/23/14/387732314.db2.gz OLVKUIMOVZTYGZ-OAHLLOKOSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000527807977 387732322 /nfs/dbraw/zinc/73/23/22/387732322.db2.gz OLVKUIMOVZTYGZ-OAHLLOKOSA-N 2 2 245.370 2.188 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccc(C)nc1)[C@@H]1CCC[NH2+]1 ZINC000422890320 387764039 /nfs/dbraw/zinc/76/40/39/387764039.db2.gz IDAVGQUOMSCPOH-KGLIPLIRSA-N 2 2 233.359 2.010 20 0 BEADLP CC(C)C[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccccn1 ZINC000643528302 387767250 /nfs/dbraw/zinc/76/72/50/387767250.db2.gz GTLRXBHGIXOWBL-DGCLKSJQSA-N 2 2 221.348 2.106 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])s1 ZINC000643528433 387768710 /nfs/dbraw/zinc/76/87/10/387768710.db2.gz JBKPCTIVMYTGMK-JGVFFNPUSA-N 2 2 227.377 2.012 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643529156 387769379 /nfs/dbraw/zinc/76/93/79/387769379.db2.gz WAEDFLYUWYNYGZ-YPMHNXCESA-N 2 2 234.343 2.146 20 0 BEADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCCO2 ZINC000643529231 387770197 /nfs/dbraw/zinc/77/01/97/387770197.db2.gz XCYCSCCRRPGBLE-OCCSQVGLSA-N 2 2 248.370 2.454 20 0 BEADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)[NH3+])CCCO2 ZINC000643528523 387770380 /nfs/dbraw/zinc/77/03/80/387770380.db2.gz KNQYWDRQTZZNAQ-JSGCOSHPSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)c(F)c(F)c1 ZINC000643528854 387773006 /nfs/dbraw/zinc/77/30/06/387773006.db2.gz QFGAXCFGGRWANE-NKWVEPMBSA-N 2 2 232.249 2.102 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000643529618 387776551 /nfs/dbraw/zinc/77/65/51/387776551.db2.gz GUDBIHMDVNKTGU-BDAKNGLRSA-N 2 2 227.377 2.100 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000643529619 387777666 /nfs/dbraw/zinc/77/76/66/387777666.db2.gz GUDBIHMDVNKTGU-RKDXNWHRSA-N 2 2 227.377 2.100 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC12CC2 ZINC000527896628 387777961 /nfs/dbraw/zinc/77/79/61/387777961.db2.gz CNNAQHLEOHRZGO-AXFHLTTASA-N 2 2 231.343 2.045 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC12CC2 ZINC000527896628 387777965 /nfs/dbraw/zinc/77/79/65/387777965.db2.gz CNNAQHLEOHRZGO-AXFHLTTASA-N 2 2 231.343 2.045 20 0 BEADLP CC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000442646301 387812610 /nfs/dbraw/zinc/81/26/10/387812610.db2.gz GOIQORHMNMWVOO-QWRGUYRKSA-N 2 2 222.332 2.122 20 0 BEADLP CC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000442646301 387812614 /nfs/dbraw/zinc/81/26/14/387812614.db2.gz GOIQORHMNMWVOO-QWRGUYRKSA-N 2 2 222.332 2.122 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422979774 387790733 /nfs/dbraw/zinc/79/07/33/387790733.db2.gz KEJMSEDSGMIEDH-VXGBXAGGSA-N 2 2 248.374 2.220 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000527925467 387791767 /nfs/dbraw/zinc/79/17/67/387791767.db2.gz KPDWPFXGSTXXJI-SSZWKKLZSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000527925467 387791769 /nfs/dbraw/zinc/79/17/69/387791769.db2.gz KPDWPFXGSTXXJI-SSZWKKLZSA-N 2 2 248.414 2.495 20 0 BEADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643527065 387761104 /nfs/dbraw/zinc/76/11/04/387761104.db2.gz CPNBSMLAVXXBPL-IUCAKERBSA-N 2 2 239.388 2.020 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014385 387823635 /nfs/dbraw/zinc/82/36/35/387823635.db2.gz VAZLNNIPFWSSRT-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014385 387823640 /nfs/dbraw/zinc/82/36/40/387823640.db2.gz VAZLNNIPFWSSRT-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH+](CCC[NH2+][C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423003551 387825769 /nfs/dbraw/zinc/82/57/69/387825769.db2.gz HWCOTVPWYGAWOM-UONOGXRCSA-N 3 2 243.439 2.211 20 0 BEADLP Cc1cncc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423008980 387831541 /nfs/dbraw/zinc/83/15/41/387831541.db2.gz BLNFIHQCGHHKRX-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1C[C@@H]1C ZINC000322055419 387873190 /nfs/dbraw/zinc/87/31/90/387873190.db2.gz QBDWRMAYOKKBRU-VTPLQMEGSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1C[C@@H]1C ZINC000322055419 387873193 /nfs/dbraw/zinc/87/31/93/387873193.db2.gz QBDWRMAYOKKBRU-VTPLQMEGSA-N 2 2 224.392 2.493 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423008290 387831986 /nfs/dbraw/zinc/83/19/86/387831986.db2.gz ZSQJWHDQTXLPNM-IUODEOHRSA-N 2 2 248.370 2.234 20 0 BEADLP CC[C@H](Nc1ccc(C)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000423026433 387842920 /nfs/dbraw/zinc/84/29/20/387842920.db2.gz NNOFQNURBGIMEW-STQMWFEESA-N 2 2 219.332 2.333 20 0 BEADLP CC[C@@H](Nc1ccc(C)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000423026432 387843533 /nfs/dbraw/zinc/84/35/33/387843533.db2.gz NNOFQNURBGIMEW-OLZOCXBDSA-N 2 2 219.332 2.333 20 0 BEADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423051309 387859898 /nfs/dbraw/zinc/85/98/98/387859898.db2.gz NBKNKTGYWMJQNK-CQSZACIVSA-N 2 2 218.344 2.262 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000442663155 387816573 /nfs/dbraw/zinc/81/65/73/387816573.db2.gz IWIGSVWZPKMOCQ-HIFRSBDPSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000442663155 387816579 /nfs/dbraw/zinc/81/65/79/387816579.db2.gz IWIGSVWZPKMOCQ-HIFRSBDPSA-N 2 2 248.370 2.015 20 0 BEADLP COc1ccccc1C[N@H+](C[C@H](C)[NH3+])C1CC1 ZINC000442665025 387817971 /nfs/dbraw/zinc/81/79/71/387817971.db2.gz LHYDEMAXYOBKBC-NSHDSACASA-N 2 2 234.343 2.007 20 0 BEADLP COc1ccccc1C[N@@H+](C[C@H](C)[NH3+])C1CC1 ZINC000442665025 387817976 /nfs/dbraw/zinc/81/79/76/387817976.db2.gz LHYDEMAXYOBKBC-NSHDSACASA-N 2 2 234.343 2.007 20 0 BEADLP C[C@]1(F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444614786 387894291 /nfs/dbraw/zinc/89/42/91/387894291.db2.gz XBLURHCBUXKPAT-ZDUSSCGKSA-N 2 2 228.355 2.296 20 0 BEADLP C[C@]1(F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444614786 387894293 /nfs/dbraw/zinc/89/42/93/387894293.db2.gz XBLURHCBUXKPAT-ZDUSSCGKSA-N 2 2 228.355 2.296 20 0 BEADLP CC[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)[C@@H]1CCC[NH2+]1 ZINC000423163715 387896318 /nfs/dbraw/zinc/89/63/18/387896318.db2.gz RNEYLNWTJYOVBN-ZDEQEGDKSA-N 2 2 248.374 2.009 20 0 BEADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423076818 387876323 /nfs/dbraw/zinc/87/63/23/387876323.db2.gz ZWLCKZZMFDUTJJ-MCIONIFRSA-N 2 2 246.354 2.288 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538361 387876496 /nfs/dbraw/zinc/87/64/96/387876496.db2.gz HXRLXBFRVDJRIX-MROQNXINSA-N 2 2 228.355 2.245 20 0 BEADLP CC(C)CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643538358 387878398 /nfs/dbraw/zinc/87/83/98/387878398.db2.gz HXJMONOHFLHFTQ-IHRRRGAJSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643539861 387880730 /nfs/dbraw/zinc/88/07/30/387880730.db2.gz HAWQBWCTPTWSAV-UVPNAGLESA-N 2 2 240.297 2.277 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1nc(C)sc1C ZINC000643540441 387882341 /nfs/dbraw/zinc/88/23/41/387882341.db2.gz IAVLFMUFWDXBRR-GMSGAONNSA-N 2 2 227.377 2.148 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423137652 387914335 /nfs/dbraw/zinc/91/43/35/387914335.db2.gz WQSVPXLOVZDNGA-JTQLQIEISA-N 2 2 231.299 2.246 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423135340 387914685 /nfs/dbraw/zinc/91/46/85/387914685.db2.gz NSZLFWKEXHCCMA-YUMQZZPRSA-N 2 2 246.276 2.319 20 0 BEADLP Cc1ccoc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423137653 387914837 /nfs/dbraw/zinc/91/48/37/387914837.db2.gz WQSVPXLOVZDNGA-SNVBAGLBSA-N 2 2 231.299 2.246 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221161959 387929190 /nfs/dbraw/zinc/92/91/90/387929190.db2.gz KTPIGGLSCXFCDA-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221161959 387929193 /nfs/dbraw/zinc/92/91/93/387929193.db2.gz KTPIGGLSCXFCDA-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221162013 387930043 /nfs/dbraw/zinc/93/00/43/387930043.db2.gz KTPIGGLSCXFCDA-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221162013 387930048 /nfs/dbraw/zinc/93/00/48/387930048.db2.gz KTPIGGLSCXFCDA-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)[C@H]1CCCC[NH2+]1 ZINC000423152013 387930442 /nfs/dbraw/zinc/93/04/42/387930442.db2.gz FCRTWVNJPYHCRV-XQHKEYJVSA-N 2 2 248.374 2.009 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226508696 387946863 /nfs/dbraw/zinc/94/68/63/387946863.db2.gz ADQDGXQNPOTANS-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226508696 387946866 /nfs/dbraw/zinc/94/68/66/387946866.db2.gz ADQDGXQNPOTANS-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2[NH3+])c2ccccc2O1 ZINC000423165453 387947488 /nfs/dbraw/zinc/94/74/88/387947488.db2.gz XYQCQQNFOBPDOV-RUZUBIRVSA-N 2 2 246.354 2.368 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173035 387960875 /nfs/dbraw/zinc/96/08/75/387960875.db2.gz WRPYSHABGRTBPP-FATJJJSSSA-N 2 2 248.345 2.269 20 0 BEADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423178365 387963860 /nfs/dbraw/zinc/96/38/60/387963860.db2.gz BWTIKFSTULIDMA-UONOGXRCSA-N 2 2 233.359 2.264 20 0 BEADLP CCCCOc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423181933 387968651 /nfs/dbraw/zinc/96/86/51/387968651.db2.gz JYRPJNCDIOCUGV-LBPRGKRZSA-N 2 2 236.359 2.475 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CCCC[NH2+]1 ZINC000423195090 387979463 /nfs/dbraw/zinc/97/94/63/387979463.db2.gz XOQAXQINRGBKRX-UMSGYPCISA-N 2 2 234.343 2.256 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CCCC[NH2+]1 ZINC000423195087 387980032 /nfs/dbraw/zinc/98/00/32/387980032.db2.gz XOQAXQINRGBKRX-FDYHWXHSSA-N 2 2 234.343 2.256 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196010 387981163 /nfs/dbraw/zinc/98/11/63/387981163.db2.gz UHHHHBGVJIOOFO-DGCLKSJQSA-N 2 2 233.359 2.047 20 0 BEADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000445894522 387977258 /nfs/dbraw/zinc/97/72/58/387977258.db2.gz BJZPUFWGUMPLPR-JTQLQIEISA-N 2 2 249.280 2.450 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192874 387977827 /nfs/dbraw/zinc/97/78/27/387977827.db2.gz QBOCCEQBFGJUFU-UWVGGRQHSA-N 2 2 240.372 2.159 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192873 387978389 /nfs/dbraw/zinc/97/83/89/387978389.db2.gz QBOCCEQBFGJUFU-NXEZZACHSA-N 2 2 240.372 2.159 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccncc1 ZINC000453098613 387982570 /nfs/dbraw/zinc/98/25/70/387982570.db2.gz VISPUVIUEMEFEJ-CQSZACIVSA-N 2 2 233.359 2.218 20 0 BEADLP CCC[C@H]([NH2+]CC[N@H+](C)CCOC)C(C)(C)C ZINC000453099237 387984727 /nfs/dbraw/zinc/98/47/27/387984727.db2.gz WBCREVRJETVQKR-ZDUSSCGKSA-N 2 2 244.423 2.369 20 0 BEADLP CCC[C@H]([NH2+]CC[N@@H+](C)CCOC)C(C)(C)C ZINC000453099237 387984730 /nfs/dbraw/zinc/98/47/30/387984730.db2.gz WBCREVRJETVQKR-ZDUSSCGKSA-N 2 2 244.423 2.369 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423200477 387985766 /nfs/dbraw/zinc/98/57/66/387985766.db2.gz FUDANIPTPOKGCD-OCCSQVGLSA-N 2 2 234.343 2.098 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000423200269 387986680 /nfs/dbraw/zinc/98/66/80/387986680.db2.gz FFAJSMOCONIKQY-NXEZZACHSA-N 2 2 224.373 2.323 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccncn1 ZINC000423201862 387987020 /nfs/dbraw/zinc/98/70/20/387987020.db2.gz PYSVNTRZZMZOAD-LBPRGKRZSA-N 2 2 248.374 2.179 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cs1 ZINC000423214028 387996972 /nfs/dbraw/zinc/99/69/72/387996972.db2.gz ODOBJBDCRMUDAH-GXSJLCMTSA-N 2 2 239.388 2.102 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cs1 ZINC000423214030 387997371 /nfs/dbraw/zinc/99/73/71/387997371.db2.gz ODOBJBDCRMUDAH-MWLCHTKSSA-N 2 2 239.388 2.102 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000423222301 388002775 /nfs/dbraw/zinc/00/27/75/388002775.db2.gz ANMHNHZTRKZRMB-LBPRGKRZSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423225597 388007443 /nfs/dbraw/zinc/00/74/43/388007443.db2.gz NKWXKZNAVMLWNX-GFCCVEGCSA-N 2 2 224.735 2.136 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000423225763 388007678 /nfs/dbraw/zinc/00/76/78/388007678.db2.gz OCNPZCKPUZVKLH-AWEZNQCLSA-N 2 2 236.359 2.201 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423241447 388024129 /nfs/dbraw/zinc/02/41/29/388024129.db2.gz IGEDSHVWXRDLQD-HNNXBMFYSA-N 2 2 248.370 2.272 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000156708912 388024917 /nfs/dbraw/zinc/02/49/17/388024917.db2.gz IVQJMUBHCZGMHG-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000156708912 388024923 /nfs/dbraw/zinc/02/49/23/388024923.db2.gz IVQJMUBHCZGMHG-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423240495 388025117 /nfs/dbraw/zinc/02/51/17/388025117.db2.gz HEOLFBDGABDPQP-GFCCVEGCSA-N 2 2 206.333 2.255 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423226737 388011382 /nfs/dbraw/zinc/01/13/82/388011382.db2.gz SAQOGXABGWWVMO-VIFPVBQESA-N 2 2 212.724 2.210 20 0 BEADLP C[NH+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC000453214687 388011540 /nfs/dbraw/zinc/01/15/40/388011540.db2.gz FFGRMBMHRRARBU-UHFFFAOYSA-N 2 2 232.371 2.085 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000423227911 388013321 /nfs/dbraw/zinc/01/33/21/388013321.db2.gz XMBFUNAOWWQMBN-SNVBAGLBSA-N 2 2 238.400 2.497 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423227761 388013396 /nfs/dbraw/zinc/01/33/96/388013396.db2.gz WXZKZAGRNHUJHY-AWEZNQCLSA-N 2 2 236.334 2.394 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](C)CC[C@H]1C ZINC000453237302 388017523 /nfs/dbraw/zinc/01/75/23/388017523.db2.gz VDAZLOCDTKUSLT-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423234561 388018451 /nfs/dbraw/zinc/01/84/51/388018451.db2.gz LYAWMSUYFOBKGZ-CQSZACIVSA-N 2 2 233.359 2.122 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423234912 388019502 /nfs/dbraw/zinc/01/95/02/388019502.db2.gz MNLLCQDXCWVINK-FZMZJTMJSA-N 2 2 218.344 2.434 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423234560 388019583 /nfs/dbraw/zinc/01/95/83/388019583.db2.gz LYAWMSUYFOBKGZ-AWEZNQCLSA-N 2 2 233.359 2.122 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1(C)CC1 ZINC000309681733 388019817 /nfs/dbraw/zinc/01/98/17/388019817.db2.gz ZQXJFDSDGZGGQH-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1(C)CC1 ZINC000309681733 388019819 /nfs/dbraw/zinc/01/98/19/388019819.db2.gz ZQXJFDSDGZGGQH-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000453238890 388020132 /nfs/dbraw/zinc/02/01/32/388020132.db2.gz WPWGFMDOYYEBDA-KGLIPLIRSA-N 2 2 249.402 2.333 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423238886 388022944 /nfs/dbraw/zinc/02/29/44/388022944.db2.gz FPPRQQJKDMYPBL-SNVBAGLBSA-N 2 2 240.322 2.094 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423249092 388032108 /nfs/dbraw/zinc/03/21/08/388032108.db2.gz SQZYBWWOHSPJCA-SWLSCSKDSA-N 2 2 241.338 2.432 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccncc1 ZINC000423252299 388032878 /nfs/dbraw/zinc/03/28/78/388032878.db2.gz XJZHNYYDTCBJCR-WFASDCNBSA-N 2 2 241.338 2.432 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1F ZINC000423259210 388038665 /nfs/dbraw/zinc/03/86/65/388038665.db2.gz DGTSUJIRJDEQOK-GXFFZTMASA-N 2 2 224.323 2.460 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249146770 388042408 /nfs/dbraw/zinc/04/24/08/388042408.db2.gz WYJFFPBEGVOONI-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249146770 388042410 /nfs/dbraw/zinc/04/24/10/388042410.db2.gz WYJFFPBEGVOONI-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)[C@H](C)C1 ZINC000082858952 388042849 /nfs/dbraw/zinc/04/28/49/388042849.db2.gz QQEOIGYCDUNGIR-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423245271 388027801 /nfs/dbraw/zinc/02/78/01/388027801.db2.gz MEMLYPAVGXZMLQ-WFASDCNBSA-N 2 2 232.371 2.427 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423246972 388029689 /nfs/dbraw/zinc/02/96/89/388029689.db2.gz OHVCJAPPHGABHW-SNVBAGLBSA-N 2 2 210.296 2.086 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423248419 388029712 /nfs/dbraw/zinc/02/97/12/388029712.db2.gz RSGZPWLTHKDJDQ-JSGCOSHPSA-N 2 2 241.338 2.432 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000423248161 388029817 /nfs/dbraw/zinc/02/98/17/388029817.db2.gz QEPKPURJJSFWFJ-CYBMUJFWSA-N 2 2 224.323 2.476 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccn1 ZINC000423271833 388051476 /nfs/dbraw/zinc/05/14/76/388051476.db2.gz YFUCWNHEFOKOSJ-NEPJUHHUSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(F)c1F ZINC000423272725 388053221 /nfs/dbraw/zinc/05/32/21/388053221.db2.gz IJTNEBXFDQJTLA-PELKAZGASA-N 2 2 240.297 2.353 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423274690 388054451 /nfs/dbraw/zinc/05/44/51/388054451.db2.gz KUAAPSKHRKGADI-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000423279451 388060799 /nfs/dbraw/zinc/06/07/99/388060799.db2.gz RXYRCTISQIHPEB-PWSUYJOCSA-N 2 2 224.348 2.476 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423281669 388063886 /nfs/dbraw/zinc/06/38/86/388063886.db2.gz UIPOFSYHDRNIHE-NOZJJQNGSA-N 2 2 222.307 2.214 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423281671 388064185 /nfs/dbraw/zinc/06/41/85/388064185.db2.gz UIPOFSYHDRNIHE-TVQRCGJNSA-N 2 2 222.307 2.214 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)cn1 ZINC000423281361 388064339 /nfs/dbraw/zinc/06/43/39/388064339.db2.gz BBZGNMQXUOUEPD-QMMMGPOBSA-N 2 2 227.739 2.123 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423284173 388067627 /nfs/dbraw/zinc/06/76/27/388067627.db2.gz WLOHJEQKSBPBOH-RISCZKNCSA-N 2 2 248.370 2.392 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423285098 388069604 /nfs/dbraw/zinc/06/96/04/388069604.db2.gz YVLQUMDMNUJNDZ-VHSXEESVSA-N 2 2 242.388 2.391 20 0 BEADLP CC(C)[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cn1 ZINC000423286685 388071238 /nfs/dbraw/zinc/07/12/38/388071238.db2.gz IDFKMZWAWJXJIK-LBPRGKRZSA-N 2 2 239.338 2.245 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423287470 388072083 /nfs/dbraw/zinc/07/20/83/388072083.db2.gz MMJZLICOLRVNLO-JTQLQIEISA-N 2 2 239.338 2.389 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)c(F)c(F)c1 ZINC000423288833 388073050 /nfs/dbraw/zinc/07/30/50/388073050.db2.gz VHYOGDFBFIVGSC-SSDOTTSWSA-N 2 2 246.276 2.492 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423288240 388073723 /nfs/dbraw/zinc/07/37/23/388073723.db2.gz RECDVMNVEGUKLU-OLZOCXBDSA-N 3 2 241.423 2.014 20 0 BEADLP Cc1ccccc1C1([NH2+]CCn2cc[nH+]c2)CC1 ZINC000645980445 388114740 /nfs/dbraw/zinc/11/47/40/388114740.db2.gz IGKQDBXKUJRTDO-UHFFFAOYSA-N 2 2 241.338 2.470 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000084340597 388076495 /nfs/dbraw/zinc/07/64/95/388076495.db2.gz XFHXHILTKJBOHS-ZIAGYGMSSA-N 2 2 224.392 2.498 20 0 BEADLP c1oc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000084511087 388079128 /nfs/dbraw/zinc/07/91/28/388079128.db2.gz WQHAVTHPEGNWAQ-LBPRGKRZSA-N 2 2 230.311 2.274 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1nccs1 ZINC000423297377 388079723 /nfs/dbraw/zinc/07/97/23/388079723.db2.gz KARMTQVSAWGIKR-ZJUUUORDSA-N 2 2 227.377 2.311 20 0 BEADLP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000346679777 388081479 /nfs/dbraw/zinc/08/14/79/388081479.db2.gz ATFAJTWAGNAPFJ-ZIAGYGMSSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000346679777 388081481 /nfs/dbraw/zinc/08/14/81/388081481.db2.gz ATFAJTWAGNAPFJ-ZIAGYGMSSA-N 2 2 224.392 2.498 20 0 BEADLP Cc1ccccc1C1([NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000645980776 388115092 /nfs/dbraw/zinc/11/50/92/388115092.db2.gz JXGBPXYXYDMUBE-UHFFFAOYSA-N 2 2 227.311 2.497 20 0 BEADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086727609 388107647 /nfs/dbraw/zinc/10/76/47/388107647.db2.gz PJPFBBYLJNYXFS-CMPLNLGQSA-N 2 2 234.368 2.175 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CCCOCC1)[NH+](C)C ZINC000086870176 388109315 /nfs/dbraw/zinc/10/93/15/388109315.db2.gz SYLXBWDWPQEULY-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423267299 388045767 /nfs/dbraw/zinc/04/57/67/388045767.db2.gz FEGIWSPQBSTBLA-GXSJLCMTSA-N 2 2 241.766 2.369 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(O)c1 ZINC000423268958 388048338 /nfs/dbraw/zinc/04/83/38/388048338.db2.gz VJQDCZICSRWJJB-DGCLKSJQSA-N 2 2 236.359 2.416 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271427 388050735 /nfs/dbraw/zinc/05/07/35/388050735.db2.gz HKRXYYULLFYCEU-GXFFZTMASA-N 2 2 234.343 2.083 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000449268960 388164719 /nfs/dbraw/zinc/16/47/19/388164719.db2.gz KPQQPPCHERMBRF-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000449351816 388179649 /nfs/dbraw/zinc/17/96/49/388179649.db2.gz RUGGFXOFZGLNRJ-JQWIXIFHSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000449351816 388179650 /nfs/dbraw/zinc/17/96/50/388179650.db2.gz RUGGFXOFZGLNRJ-JQWIXIFHSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449061505 388137206 /nfs/dbraw/zinc/13/72/06/388137206.db2.gz VTQHJOAKRCYMIK-GXTWGEPZSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449061505 388137207 /nfs/dbraw/zinc/13/72/07/388137207.db2.gz VTQHJOAKRCYMIK-GXTWGEPZSA-N 2 2 236.359 2.285 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CSC[C@@H]1C)[NH+]1CCCC1 ZINC000449078019 388137416 /nfs/dbraw/zinc/13/74/16/388137416.db2.gz TVCNPCDSNSZGSE-XQQFMLRXSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449077648 388139638 /nfs/dbraw/zinc/13/96/38/388139638.db2.gz SIYXSRIZIYAVEY-NEPJUHHUSA-N 2 2 233.315 2.085 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000449141450 388146047 /nfs/dbraw/zinc/14/60/47/388146047.db2.gz LMOTZGJGIISSBT-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000449141450 388146049 /nfs/dbraw/zinc/14/60/49/388146049.db2.gz LMOTZGJGIISSBT-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000449148860 388149068 /nfs/dbraw/zinc/14/90/68/388149068.db2.gz VESJCLGKZAHHAT-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000449148860 388149071 /nfs/dbraw/zinc/14/90/71/388149071.db2.gz VESJCLGKZAHHAT-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449185569 388154776 /nfs/dbraw/zinc/15/47/76/388154776.db2.gz GNOPEBBFJPYRBS-QJPTWQEYSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449185569 388154779 /nfs/dbraw/zinc/15/47/79/388154779.db2.gz GNOPEBBFJPYRBS-QJPTWQEYSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCOC2(C)C)c[nH+]1 ZINC000449413119 388198114 /nfs/dbraw/zinc/19/81/14/388198114.db2.gz FPGZADHVTHAJKO-AWEZNQCLSA-N 2 2 248.370 2.480 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449433308 388205384 /nfs/dbraw/zinc/20/53/84/388205384.db2.gz LRIYDFUIFLWPOL-DGAVXFQQSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449433308 388205385 /nfs/dbraw/zinc/20/53/85/388205385.db2.gz LRIYDFUIFLWPOL-DGAVXFQQSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)OC ZINC000449474007 388213280 /nfs/dbraw/zinc/21/32/80/388213280.db2.gz IWIONNXIMNTGMI-AWEZNQCLSA-N 2 2 247.342 2.239 20 0 BEADLP CC[C@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)OC ZINC000449474009 388213323 /nfs/dbraw/zinc/21/33/23/388213323.db2.gz IWIONNXIMNTGMI-CQSZACIVSA-N 2 2 247.342 2.239 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cs2)C1 ZINC000449480026 388214988 /nfs/dbraw/zinc/21/49/88/388214988.db2.gz NJDIJBGGXITXFF-WCQYABFASA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cs2)C1 ZINC000449480026 388214992 /nfs/dbraw/zinc/21/49/92/388214992.db2.gz NJDIJBGGXITXFF-WCQYABFASA-N 2 2 238.400 2.486 20 0 BEADLP CCSCC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000164804933 388248215 /nfs/dbraw/zinc/24/82/15/388248215.db2.gz VQNCITFWJCXUFR-LBPRGKRZSA-N 2 2 232.437 2.305 20 0 BEADLP CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000233993388 388351532 /nfs/dbraw/zinc/35/15/32/388351532.db2.gz YXFZPYQZLLIKOB-WDEREUQCSA-N 2 2 225.361 2.174 20 0 BEADLP Cc1ccccc1C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000524718496 388376672 /nfs/dbraw/zinc/37/66/72/388376672.db2.gz VSLRZHMSQKXAJX-ZDUSSCGKSA-N 2 2 232.371 2.426 20 0 BEADLP Cc1ccccc1C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000524718496 388376675 /nfs/dbraw/zinc/37/66/75/388376675.db2.gz VSLRZHMSQKXAJX-ZDUSSCGKSA-N 2 2 232.371 2.426 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@]2(C)CCCS2)CCC1 ZINC000327604932 388379636 /nfs/dbraw/zinc/37/96/36/388379636.db2.gz JLTADDLJLUMFJE-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP C[N@@H+]1CCC[C@H]2CN(c3cccc[nH+]3)CC[C@@H]21 ZINC000133653851 388388533 /nfs/dbraw/zinc/38/85/33/388388533.db2.gz UULLLYMBMIJHFQ-STQMWFEESA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CCC[C@H]2CN(c3cccc[nH+]3)CC[C@@H]21 ZINC000133653851 388388537 /nfs/dbraw/zinc/38/85/37/388388537.db2.gz UULLLYMBMIJHFQ-STQMWFEESA-N 2 2 231.343 2.002 20 0 BEADLP C[C@H](C[NH2+]C[C@]1(C)CCCS1)[N@H+](C)C1CC1 ZINC000327827860 388391527 /nfs/dbraw/zinc/39/15/27/388391527.db2.gz AWIRMTQGRUVOMA-YPMHNXCESA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[NH2+]C[C@]1(C)CCCS1)[N@@H+](C)C1CC1 ZINC000327827860 388391529 /nfs/dbraw/zinc/39/15/29/388391529.db2.gz AWIRMTQGRUVOMA-YPMHNXCESA-N 2 2 242.432 2.344 20 0 BEADLP Cc1sccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000294031300 388393884 /nfs/dbraw/zinc/39/38/84/388393884.db2.gz IATNSZDBEQPLAV-JTQLQIEISA-N 2 2 235.356 2.431 20 0 BEADLP Cc1sccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000294031305 388393913 /nfs/dbraw/zinc/39/39/13/388393913.db2.gz IATNSZDBEQPLAV-SNVBAGLBSA-N 2 2 235.356 2.431 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC1CCCCC1 ZINC000308611579 388444917 /nfs/dbraw/zinc/44/49/17/388444917.db2.gz BKHYMYBDBGWYFT-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)no1 ZINC000525987774 388452259 /nfs/dbraw/zinc/45/22/59/388452259.db2.gz AFMNCTZCDHXYBH-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000309736243 388462909 /nfs/dbraw/zinc/46/29/09/388462909.db2.gz CKOMRZAQUNXFRC-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000309736243 388462911 /nfs/dbraw/zinc/46/29/11/388462911.db2.gz CKOMRZAQUNXFRC-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000328225885 388407541 /nfs/dbraw/zinc/40/75/41/388407541.db2.gz BSGUJLQZQPYNFD-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000328225885 388407542 /nfs/dbraw/zinc/40/75/42/388407542.db2.gz BSGUJLQZQPYNFD-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000397561553 388479391 /nfs/dbraw/zinc/47/93/91/388479391.db2.gz AVVMUYKHQGXXDT-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000397561553 388479393 /nfs/dbraw/zinc/47/93/93/388479393.db2.gz AVVMUYKHQGXXDT-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc[nH+]c1CCNc1cc[nH+]cc1C ZINC000404687500 388429405 /nfs/dbraw/zinc/42/94/05/388429405.db2.gz MYPNSRVXALQBHS-UHFFFAOYSA-N 2 2 227.311 2.170 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000322563751 388439073 /nfs/dbraw/zinc/43/90/73/388439073.db2.gz XQHZRIJYIYZICP-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000322563751 388439074 /nfs/dbraw/zinc/43/90/74/388439074.db2.gz XQHZRIJYIYZICP-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC1CC(C)(C)C1 ZINC000528517436 388541232 /nfs/dbraw/zinc/54/12/32/388541232.db2.gz FALWLLDZRGTMSK-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cscn1 ZINC000517356283 388547848 /nfs/dbraw/zinc/54/78/48/388547848.db2.gz XMIXUOJYSTXVIJ-JTQLQIEISA-N 2 2 227.377 2.182 20 0 BEADLP Cc1ccc(C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397793114 388499803 /nfs/dbraw/zinc/49/98/03/388499803.db2.gz SKGLLKJFWHYFAC-UHFFFAOYSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000397843127 388505202 /nfs/dbraw/zinc/50/52/02/388505202.db2.gz HCCRXGBSSGBIIJ-GFCCVEGCSA-N 2 2 208.349 2.027 20 0 BEADLP C[NH+](C)C1(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000397874426 388508390 /nfs/dbraw/zinc/50/83/90/388508390.db2.gz VAZGOKDORFDNHB-UHFFFAOYSA-N 2 2 243.354 2.352 20 0 BEADLP Cc1cc(-c2ccc(C[NH3+])cc2)c[nH+]c1N ZINC000082730061 388587875 /nfs/dbraw/zinc/58/78/75/388587875.db2.gz XNGOFRNGMAPVRK-UHFFFAOYSA-N 2 2 213.284 2.098 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245744288 388602090 /nfs/dbraw/zinc/60/20/90/388602090.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245744288 388602093 /nfs/dbraw/zinc/60/20/93/388602093.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744288 388602094 /nfs/dbraw/zinc/60/20/94/388602094.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744288 388602096 /nfs/dbraw/zinc/60/20/96/388602096.db2.gz MLQYUQGDLANSLB-WFASDCNBSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000245874534 388609076 /nfs/dbraw/zinc/60/90/76/388609076.db2.gz JWCUCNJKPUJVSJ-CHWSQXEVSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000245874534 388609078 /nfs/dbraw/zinc/60/90/78/388609078.db2.gz JWCUCNJKPUJVSJ-CHWSQXEVSA-N 2 2 221.348 2.251 20 0 BEADLP c1cn(CCCn2cc[nH+]c2C2CC2)c[nH+]1 ZINC000530128845 388612684 /nfs/dbraw/zinc/61/26/84/388612684.db2.gz DPIGQZXDSAOWOP-UHFFFAOYSA-N 2 2 216.288 2.047 20 0 BEADLP COc1cc[nH+]c(Cn2cc[nH+]c2C2CC2)c1 ZINC000530131174 388615445 /nfs/dbraw/zinc/61/54/45/388615445.db2.gz MJVCVXNPBPVTCM-UHFFFAOYSA-N 2 2 229.283 2.212 20 0 BEADLP CC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367440018 388565406 /nfs/dbraw/zinc/56/54/06/388565406.db2.gz ZAKXNJVEYQEQQK-SNVBAGLBSA-N 2 2 207.321 2.108 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178771 388621675 /nfs/dbraw/zinc/62/16/75/388621675.db2.gz QVLKOUJOPGWRQK-AWEZNQCLSA-N 2 2 230.355 2.369 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCC[NH+](C)C ZINC000564377438 388625020 /nfs/dbraw/zinc/62/50/20/388625020.db2.gz HULOHFZDQPAACC-UHFFFAOYSA-N 3 2 249.402 2.206 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCC[NH+](C)C ZINC000564377438 388625023 /nfs/dbraw/zinc/62/50/23/388625023.db2.gz HULOHFZDQPAACC-UHFFFAOYSA-N 3 2 249.402 2.206 20 0 BEADLP CC[C@@H]1CC[NH+](CC[N@H+]2CC[C@@H](CC)C2)C1 ZINC000246257085 388626384 /nfs/dbraw/zinc/62/63/84/388626384.db2.gz QEYCRPLYBKNDRI-ZIAGYGMSSA-N 2 2 224.392 2.450 20 0 BEADLP CC[C@@H]1CC[NH+](CC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000246257085 388626388 /nfs/dbraw/zinc/62/63/88/388626388.db2.gz QEYCRPLYBKNDRI-ZIAGYGMSSA-N 2 2 224.392 2.450 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CC1CC(C)(C)C1 ZINC000530219873 388631233 /nfs/dbraw/zinc/63/12/33/388631233.db2.gz RQLUDFOJMDDNKY-RYUDHWBXSA-N 2 2 228.355 2.054 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CC1CC(C)(C)C1 ZINC000530219873 388631235 /nfs/dbraw/zinc/63/12/35/388631235.db2.gz RQLUDFOJMDDNKY-RYUDHWBXSA-N 2 2 228.355 2.054 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530218283 388631543 /nfs/dbraw/zinc/63/15/43/388631543.db2.gz IONWKUBGSBLSHA-DGCLKSJQSA-N 2 2 231.343 2.017 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1Cl ZINC000530226821 388635971 /nfs/dbraw/zinc/63/59/71/388635971.db2.gz TVWLQEZNVQAMMD-GHMZBOCLSA-N 2 2 239.750 2.095 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000222495552 388637787 /nfs/dbraw/zinc/63/77/87/388637787.db2.gz ZACBMGYUOSEBLQ-WCQYABFASA-N 2 2 204.317 2.041 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000222495552 388637790 /nfs/dbraw/zinc/63/77/90/388637790.db2.gz ZACBMGYUOSEBLQ-WCQYABFASA-N 2 2 204.317 2.041 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000247047120 388657290 /nfs/dbraw/zinc/65/72/90/388657290.db2.gz NBODHLMVSXIHSO-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000247047120 388657291 /nfs/dbraw/zinc/65/72/91/388657291.db2.gz NBODHLMVSXIHSO-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000247045544 388657563 /nfs/dbraw/zinc/65/75/63/388657563.db2.gz MYETYJJHPXGWDF-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000247045544 388657565 /nfs/dbraw/zinc/65/75/65/388657565.db2.gz MYETYJJHPXGWDF-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000247294651 388661679 /nfs/dbraw/zinc/66/16/79/388661679.db2.gz HOQDIFJMWRBCPP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000247294651 388661680 /nfs/dbraw/zinc/66/16/80/388661680.db2.gz HOQDIFJMWRBCPP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000539218659 388750061 /nfs/dbraw/zinc/75/00/61/388750061.db2.gz UKNDXUHMCYIIHB-YUELXQCFSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000539218659 388750065 /nfs/dbraw/zinc/75/00/65/388750065.db2.gz UKNDXUHMCYIIHB-YUELXQCFSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)nc1 ZINC000127001152 388710725 /nfs/dbraw/zinc/71/07/25/388710725.db2.gz RYVPXNKZOZZUAT-UHFFFAOYSA-N 2 2 244.342 2.157 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000322207087 388796644 /nfs/dbraw/zinc/79/66/44/388796644.db2.gz SNGQIXXUINETIA-BLFANLJRSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000322207087 388796647 /nfs/dbraw/zinc/79/66/47/388796647.db2.gz SNGQIXXUINETIA-BLFANLJRSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000251917887 388758948 /nfs/dbraw/zinc/75/89/48/388758948.db2.gz ULSWXRVLIQITSQ-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000251917887 388758951 /nfs/dbraw/zinc/75/89/51/388758951.db2.gz ULSWXRVLIQITSQ-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C[C@@H](C)C1 ZINC000252191775 388762128 /nfs/dbraw/zinc/76/21/28/388762128.db2.gz VARXHSFYXMIXHN-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000252191775 388762130 /nfs/dbraw/zinc/76/21/30/388762130.db2.gz VARXHSFYXMIXHN-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)cc[nH+]1 ZINC000128662780 388779669 /nfs/dbraw/zinc/77/96/69/388779669.db2.gz GYBRVDWQBFKFKN-JTQLQIEISA-N 2 2 236.363 2.173 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252745618 388779849 /nfs/dbraw/zinc/77/98/49/388779849.db2.gz PFAJGKJBKUPJRY-UHXUPSOCSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252745618 388779852 /nfs/dbraw/zinc/77/98/52/388779852.db2.gz PFAJGKJBKUPJRY-UHXUPSOCSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1C)[N@H+](C)C1CC1 ZINC000252743017 388779988 /nfs/dbraw/zinc/77/99/88/388779988.db2.gz LCSGODWUXYRKHW-MDZLAQPJSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000252743017 388779995 /nfs/dbraw/zinc/77/99/95/388779995.db2.gz LCSGODWUXYRKHW-MDZLAQPJSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)[NH+](C)C ZINC000252857665 388788098 /nfs/dbraw/zinc/78/80/98/388788098.db2.gz LMBKVBSIJPSHBW-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000540918201 388826647 /nfs/dbraw/zinc/82/66/47/388826647.db2.gz MTZFSGRTASRKMB-NSHDSACASA-N 2 2 219.332 2.152 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000540918201 388826651 /nfs/dbraw/zinc/82/66/51/388826651.db2.gz MTZFSGRTASRKMB-NSHDSACASA-N 2 2 219.332 2.152 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641674 388861631 /nfs/dbraw/zinc/86/16/31/388861631.db2.gz FARJHCOGGFRNPB-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641674 388861633 /nfs/dbraw/zinc/86/16/33/388861633.db2.gz FARJHCOGGFRNPB-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccoc1 ZINC000564828082 388891605 /nfs/dbraw/zinc/89/16/05/388891605.db2.gz YXRFASREDTVWGM-GWCFXTLKSA-N 2 2 222.332 2.448 20 0 BEADLP CC1(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000565706392 388962896 /nfs/dbraw/zinc/96/28/96/388962896.db2.gz XEALKMPAHYWEAM-UONOGXRCSA-N 2 2 248.345 2.352 20 0 BEADLP CC1(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000565706392 388962901 /nfs/dbraw/zinc/96/29/01/388962901.db2.gz XEALKMPAHYWEAM-UONOGXRCSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000565710438 388964560 /nfs/dbraw/zinc/96/45/60/388964560.db2.gz OEPAZMQCYMEWSU-GFCCVEGCSA-N 2 2 224.735 2.136 20 0 BEADLP Cc1c[nH+]c(C)nc1N1CCC([NH2+]C(C)C)CC1 ZINC000565333765 388938725 /nfs/dbraw/zinc/93/87/25/388938725.db2.gz BHAKTSUTTJZUNS-UHFFFAOYSA-N 2 2 248.374 2.060 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC3)n2c1 ZINC000269339339 389007990 /nfs/dbraw/zinc/00/79/90/389007990.db2.gz FSXLZAGUTADJDU-UHFFFAOYSA-N 2 2 215.300 2.285 20 0 BEADLP CC1(C)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271286358 389019721 /nfs/dbraw/zinc/01/97/21/389019721.db2.gz RDIBGACWZSYJJF-LLVKDONJSA-N 2 2 215.300 2.222 20 0 BEADLP CC(C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932230 132342994 /nfs/dbraw/zinc/34/29/94/132342994.db2.gz PCYVPINBSXXBDH-UHFFFAOYSA-N 2 2 219.332 2.048 20 0 BEADLP Cc1cc(N2CCC(n3cc[nH+]c3)CC2)cc[nH+]1 ZINC000274311099 132202698 /nfs/dbraw/zinc/20/26/98/132202698.db2.gz AUZGUTKHVCABPP-UHFFFAOYSA-N 2 2 242.326 2.428 20 0 BEADLP CC[C@H](C)[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000283326499 132212743 /nfs/dbraw/zinc/21/27/43/132212743.db2.gz PCOAHZZIBZJWBJ-ZDUSSCGKSA-N 2 2 233.359 2.311 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124897193 132228473 /nfs/dbraw/zinc/22/84/73/132228473.db2.gz PTIGLVRZJJSXEW-OLZOCXBDSA-N 2 2 245.370 2.296 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cccc(C)[nH+]2)C[C@H]1C ZINC000354813139 132270241 /nfs/dbraw/zinc/27/02/41/132270241.db2.gz BIPICQHRYPCVTN-CHWSQXEVSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cccc(C)[nH+]2)C[C@H]1C ZINC000354813139 132270242 /nfs/dbraw/zinc/27/02/42/132270242.db2.gz BIPICQHRYPCVTN-CHWSQXEVSA-N 2 2 233.359 2.309 20 0 BEADLP Cc1cc(N2CCC(C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000044514674 132298268 /nfs/dbraw/zinc/29/82/68/132298268.db2.gz SESPWUFMPPMBSG-UHFFFAOYSA-N 2 2 248.374 2.084 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)s1 ZINC000335997872 134043389 /nfs/dbraw/zinc/04/33/89/134043389.db2.gz SMTDXYRMLAGKTG-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)s1 ZINC000335997872 134043390 /nfs/dbraw/zinc/04/33/90/134043390.db2.gz SMTDXYRMLAGKTG-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336038292 134060441 /nfs/dbraw/zinc/06/04/41/134060441.db2.gz RJKPQZZYPBALAA-LLVKDONJSA-N 2 2 247.367 2.427 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336038292 134060442 /nfs/dbraw/zinc/06/04/42/134060442.db2.gz RJKPQZZYPBALAA-LLVKDONJSA-N 2 2 247.367 2.427 20 0 BEADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000336126863 134093379 /nfs/dbraw/zinc/09/33/79/134093379.db2.gz VBRRXSFEFMBQSL-CQSZACIVSA-N 2 2 234.318 2.108 20 0 BEADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC000336126863 134093380 /nfs/dbraw/zinc/09/33/80/134093380.db2.gz VBRRXSFEFMBQSL-CQSZACIVSA-N 2 2 234.318 2.108 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000168613421 134231942 /nfs/dbraw/zinc/23/19/42/134231942.db2.gz DGSWCETUTKZKLX-DOMZBBRYSA-N 2 2 232.371 2.084 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217505859 134249027 /nfs/dbraw/zinc/24/90/27/134249027.db2.gz ZMDZCWJWCILZHW-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217505859 134249028 /nfs/dbraw/zinc/24/90/28/134249028.db2.gz ZMDZCWJWCILZHW-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000177923524 134302237 /nfs/dbraw/zinc/30/22/37/134302237.db2.gz AAPLQBMYWFSWLI-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000177844341 134303346 /nfs/dbraw/zinc/30/33/46/134303346.db2.gz RPKVOXZNIFRHCU-KGLIPLIRSA-N 2 2 244.423 2.367 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178384451 134309053 /nfs/dbraw/zinc/30/90/53/134309053.db2.gz CDTLKFXDYLJFOG-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178384451 134309054 /nfs/dbraw/zinc/30/90/54/134309054.db2.gz CDTLKFXDYLJFOG-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221383910 134323330 /nfs/dbraw/zinc/32/33/30/134323330.db2.gz RDXOCEGSZLFGKT-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221383910 134323331 /nfs/dbraw/zinc/32/33/31/134323331.db2.gz RDXOCEGSZLFGKT-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000226174684 134359659 /nfs/dbraw/zinc/35/96/59/134359659.db2.gz NTOYHGUJQQWCQI-SCVCMEIPSA-N 2 2 207.321 2.324 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000185644079 134388062 /nfs/dbraw/zinc/38/80/62/134388062.db2.gz WAKQRAMYRVBLNN-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000185644079 134388063 /nfs/dbraw/zinc/38/80/63/134388063.db2.gz WAKQRAMYRVBLNN-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872754 134391740 /nfs/dbraw/zinc/39/17/40/134391740.db2.gz KEOSFXXPTMGLCS-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872754 134391742 /nfs/dbraw/zinc/39/17/42/134391742.db2.gz KEOSFXXPTMGLCS-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC000130447177 134619723 /nfs/dbraw/zinc/61/97/23/134619723.db2.gz HDHCQIBYRPBWSY-UTSBKAFOSA-N 2 2 218.344 2.240 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070759943 134922893 /nfs/dbraw/zinc/92/28/93/134922893.db2.gz ZBWRQBUISBNMDK-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](C[NH2+]C1CCC(C)(C)CC1)[NH+](C)C ZINC000070654143 135005295 /nfs/dbraw/zinc/00/52/95/135005295.db2.gz IWYHEPKHNWSHKT-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000070761923 135011652 /nfs/dbraw/zinc/01/16/52/135011652.db2.gz OTAJKCQTHMVCBM-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000251209038 135066297 /nfs/dbraw/zinc/06/62/97/135066297.db2.gz BRCNEILKYAHILI-ZFWWWQNUSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000251209038 135066298 /nfs/dbraw/zinc/06/62/98/135066298.db2.gz BRCNEILKYAHILI-ZFWWWQNUSA-N 2 2 245.370 2.106 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000251577434 135071391 /nfs/dbraw/zinc/07/13/91/135071391.db2.gz BXBSGGPTCKYSCL-AGIUHOORSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000251577434 135071393 /nfs/dbraw/zinc/07/13/93/135071393.db2.gz BXBSGGPTCKYSCL-AGIUHOORSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251789706 135077456 /nfs/dbraw/zinc/07/74/56/135077456.db2.gz FVRUJZQSCLLBSR-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000252088467 135082120 /nfs/dbraw/zinc/08/21/20/135082120.db2.gz GVBPGJOLYWIRMD-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246226611 135082235 /nfs/dbraw/zinc/08/22/35/135082235.db2.gz MAQTVCMDHXFMCT-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246226611 135082238 /nfs/dbraw/zinc/08/22/38/135082238.db2.gz MAQTVCMDHXFMCT-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246226611 135082240 /nfs/dbraw/zinc/08/22/40/135082240.db2.gz MAQTVCMDHXFMCT-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000246226611 135082242 /nfs/dbraw/zinc/08/22/42/135082242.db2.gz MAQTVCMDHXFMCT-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086727313 135095208 /nfs/dbraw/zinc/09/52/08/135095208.db2.gz WOOJKKMUDSWRAC-ZIAGYGMSSA-N 2 2 218.344 2.479 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086729897 135095363 /nfs/dbraw/zinc/09/53/63/135095363.db2.gz KSPTTYSJLXJIRC-MWLCHTKSSA-N 2 2 222.357 2.077 20 0 BEADLP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086729572 135095566 /nfs/dbraw/zinc/09/55/66/135095566.db2.gz PIJNYPHVCWMMET-AWEZNQCLSA-N 2 2 218.344 2.262 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000086729309 135095639 /nfs/dbraw/zinc/09/56/39/135095639.db2.gz PKQKOOQFJSYBNY-ZJUUUORDSA-N 2 2 210.346 2.069 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000252675145 135095731 /nfs/dbraw/zinc/09/57/31/135095731.db2.gz XIRDNUQQZHUFSI-OLZOCXBDSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000252675145 135095733 /nfs/dbraw/zinc/09/57/33/135095733.db2.gz XIRDNUQQZHUFSI-OLZOCXBDSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000252685534 135097219 /nfs/dbraw/zinc/09/72/19/135097219.db2.gz IHRNNEBUWRWBNX-DGAVXFQQSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000252685534 135097221 /nfs/dbraw/zinc/09/72/21/135097221.db2.gz IHRNNEBUWRWBNX-DGAVXFQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252742010 135106495 /nfs/dbraw/zinc/10/64/95/135106495.db2.gz WKANVBQZUZXXCF-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252742010 135106492 /nfs/dbraw/zinc/10/64/92/135106492.db2.gz WKANVBQZUZXXCF-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252772374 135108980 /nfs/dbraw/zinc/10/89/80/135108980.db2.gz VHCSXRXGRHDSBV-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252772374 135108983 /nfs/dbraw/zinc/10/89/83/135108983.db2.gz VHCSXRXGRHDSBV-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000260103543 135146749 /nfs/dbraw/zinc/14/67/49/135146749.db2.gz OLPNILGAGWUVJE-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000260103543 135146751 /nfs/dbraw/zinc/14/67/51/135146751.db2.gz OLPNILGAGWUVJE-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP CC(C)Oc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000260163946 135147650 /nfs/dbraw/zinc/14/76/50/135147650.db2.gz RKJBOHIIOZHJNK-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000260163946 135147652 /nfs/dbraw/zinc/14/76/52/135147652.db2.gz RKJBOHIIOZHJNK-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261545691 135149900 /nfs/dbraw/zinc/14/99/00/135149900.db2.gz GIXATRQKEHCIDR-YPMHNXCESA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261545691 135149901 /nfs/dbraw/zinc/14/99/01/135149901.db2.gz GIXATRQKEHCIDR-YPMHNXCESA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000261533560 135164816 /nfs/dbraw/zinc/16/48/16/135164816.db2.gz KXSFBCHGIRHSGA-VHSXEESVSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000261533560 135164817 /nfs/dbraw/zinc/16/48/17/135164817.db2.gz KXSFBCHGIRHSGA-VHSXEESVSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000261533558 135165182 /nfs/dbraw/zinc/16/51/82/135165182.db2.gz KXSFBCHGIRHSGA-NXEZZACHSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000261533558 135165183 /nfs/dbraw/zinc/16/51/83/135165183.db2.gz KXSFBCHGIRHSGA-NXEZZACHSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000261534891 135168470 /nfs/dbraw/zinc/16/84/70/135168470.db2.gz NHVDWSVOHCFGGB-BBBLOLIVSA-N 2 2 210.296 2.212 20 0 BEADLP C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1[NH3+] ZINC000261543272 135183636 /nfs/dbraw/zinc/18/36/36/135183636.db2.gz SMWHHGLGMLRVTK-ZWNOBZJWSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1[NH3+] ZINC000261543272 135183637 /nfs/dbraw/zinc/18/36/37/135183637.db2.gz SMWHHGLGMLRVTK-ZWNOBZJWSA-N 2 2 230.311 2.212 20 0 BEADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2C[NH3+])s1 ZINC000084149025 135187859 /nfs/dbraw/zinc/18/78/59/135187859.db2.gz SBMCRBWVZPRLBU-NSHDSACASA-N 2 2 239.388 2.073 20 0 BEADLP Cc1nc(C)c(C[N@H+]2CCCC[C@H]2C[NH3+])s1 ZINC000084149025 135187860 /nfs/dbraw/zinc/18/78/60/135187860.db2.gz SBMCRBWVZPRLBU-NSHDSACASA-N 2 2 239.388 2.073 20 0 BEADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261551566 135190572 /nfs/dbraw/zinc/19/05/72/135190572.db2.gz MGBKWPCPWKOANT-SMDDNHRTSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261551566 135190573 /nfs/dbraw/zinc/19/05/73/135190573.db2.gz MGBKWPCPWKOANT-SMDDNHRTSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000261558470 135199319 /nfs/dbraw/zinc/19/93/19/135199319.db2.gz SMZWXFPXUMSLPZ-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000261558470 135199320 /nfs/dbraw/zinc/19/93/20/135199320.db2.gz SMZWXFPXUMSLPZ-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000261558865 135199421 /nfs/dbraw/zinc/19/94/21/135199421.db2.gz SUIRFAXHGTYVFR-IAQYHMDHSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000261558865 135199422 /nfs/dbraw/zinc/19/94/22/135199422.db2.gz SUIRFAXHGTYVFR-IAQYHMDHSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000261565257 135208206 /nfs/dbraw/zinc/20/82/06/135208206.db2.gz DAUUBGZGBSVOOW-MRVPVSSYSA-N 2 2 228.286 2.353 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000084342170 135209991 /nfs/dbraw/zinc/20/99/91/135209991.db2.gz KMCMMQRIRCLUGB-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+]CC1CCCCCC1 ZINC000084329347 135211500 /nfs/dbraw/zinc/21/15/00/135211500.db2.gz SGTAKSMCNLKETL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CC1CCCCCC1 ZINC000084329347 135211501 /nfs/dbraw/zinc/21/15/01/135211501.db2.gz SGTAKSMCNLKETL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1F ZINC000261580124 135220890 /nfs/dbraw/zinc/22/08/90/135220890.db2.gz MRPYNBRKOUIEEA-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1F ZINC000261580124 135220892 /nfs/dbraw/zinc/22/08/92/135220892.db2.gz MRPYNBRKOUIEEA-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000261580981 135221219 /nfs/dbraw/zinc/22/12/19/135221219.db2.gz QGRFWSISNQKEQI-UKRRQHHQSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000261580981 135221221 /nfs/dbraw/zinc/22/12/21/135221221.db2.gz QGRFWSISNQKEQI-UKRRQHHQSA-N 2 2 248.345 2.318 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000261581224 135221516 /nfs/dbraw/zinc/22/15/16/135221516.db2.gz NJYVXDLUOMLUJS-VGMNWLOBSA-N 2 2 228.286 2.351 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000261583088 135224395 /nfs/dbraw/zinc/22/43/95/135224395.db2.gz OWNLIAIBOUQSTH-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000261583088 135224397 /nfs/dbraw/zinc/22/43/97/135224397.db2.gz OWNLIAIBOUQSTH-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000261592474 135232560 /nfs/dbraw/zinc/23/25/60/135232560.db2.gz YMGGDEYABCDZKY-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000261592474 135232562 /nfs/dbraw/zinc/23/25/62/135232562.db2.gz YMGGDEYABCDZKY-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000261592473 135232795 /nfs/dbraw/zinc/23/27/95/135232795.db2.gz YMGGDEYABCDZKY-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000261592473 135232796 /nfs/dbraw/zinc/23/27/96/135232796.db2.gz YMGGDEYABCDZKY-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000261599028 135237594 /nfs/dbraw/zinc/23/75/94/135237594.db2.gz ZRZRILSQKTXANR-VGMNWLOBSA-N 2 2 228.286 2.351 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000261654240 135242770 /nfs/dbraw/zinc/24/27/70/135242770.db2.gz BGNWXALRCVLAKW-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP Cc1cc(F)ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000261654240 135242772 /nfs/dbraw/zinc/24/27/72/135242772.db2.gz BGNWXALRCVLAKW-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835906 135255899 /nfs/dbraw/zinc/25/58/99/135255899.db2.gz JLIVSDCAXXNTMK-FZMZJTMJSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835906 135255901 /nfs/dbraw/zinc/25/59/01/135255901.db2.gz JLIVSDCAXXNTMK-FZMZJTMJSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835911 135256021 /nfs/dbraw/zinc/25/60/21/135256021.db2.gz JLIVSDCAXXNTMK-SMDDNHRTSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835911 135256022 /nfs/dbraw/zinc/25/60/22/135256022.db2.gz JLIVSDCAXXNTMK-SMDDNHRTSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@H](C[N@@H+]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835909 135256394 /nfs/dbraw/zinc/25/63/94/135256394.db2.gz JLIVSDCAXXNTMK-RISCZKNCSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@H](C[N@H+]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835909 135256396 /nfs/dbraw/zinc/25/63/96/135256396.db2.gz JLIVSDCAXXNTMK-RISCZKNCSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@@]1(C[N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC000261885212 135260006 /nfs/dbraw/zinc/26/00/06/135260006.db2.gz RVBFLGJJOKZBIA-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@]1(C[N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC000261885212 135260007 /nfs/dbraw/zinc/26/00/07/135260007.db2.gz RVBFLGJJOKZBIA-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000262047670 135276071 /nfs/dbraw/zinc/27/60/71/135276071.db2.gz ZDZNAVGOFNVTSY-LBPRGKRZSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000262047670 135276073 /nfs/dbraw/zinc/27/60/73/135276073.db2.gz ZDZNAVGOFNVTSY-LBPRGKRZSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@]1(C[N@@H+]2CCc3cccc(F)c3C2)CC[NH2+]C1 ZINC000262057727 135276973 /nfs/dbraw/zinc/27/69/73/135276973.db2.gz QTNWZZLSZBAUMG-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@]1(C[N@H+]2CCc3cccc(F)c3C2)CC[NH2+]C1 ZINC000262057727 135276974 /nfs/dbraw/zinc/27/69/74/135276974.db2.gz QTNWZZLSZBAUMG-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccncc1 ZINC000342700910 135307361 /nfs/dbraw/zinc/30/73/61/135307361.db2.gz BMYVDOHGODTENY-SCRDCRAPSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccncc1 ZINC000342700910 135307363 /nfs/dbraw/zinc/30/73/63/135307363.db2.gz BMYVDOHGODTENY-SCRDCRAPSA-N 2 2 233.359 2.215 20 0 BEADLP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000263037102 135328056 /nfs/dbraw/zinc/32/80/56/135328056.db2.gz SLTKIZOQMFVHDL-ZDUSSCGKSA-N 2 2 222.307 2.311 20 0 BEADLP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000263037102 135328058 /nfs/dbraw/zinc/32/80/58/135328058.db2.gz SLTKIZOQMFVHDL-ZDUSSCGKSA-N 2 2 222.307 2.311 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1C ZINC000299921736 135382791 /nfs/dbraw/zinc/38/27/91/135382791.db2.gz QOQRPDWKCQTVGQ-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1C ZINC000299921736 135382792 /nfs/dbraw/zinc/38/27/92/135382792.db2.gz QOQRPDWKCQTVGQ-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000334405933 135393986 /nfs/dbraw/zinc/39/39/86/135393986.db2.gz HOJPAJTUFDPULV-MNOVXSKESA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000334405933 135393988 /nfs/dbraw/zinc/39/39/88/135393988.db2.gz HOJPAJTUFDPULV-MNOVXSKESA-N 2 2 242.326 2.013 20 0 BEADLP CC[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000347738916 136004983 /nfs/dbraw/zinc/00/49/83/136004983.db2.gz WZBJNCCLHZSNMP-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000347738916 136004984 /nfs/dbraw/zinc/00/49/84/136004984.db2.gz WZBJNCCLHZSNMP-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@@H]1CCCC[C@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000347751041 136011182 /nfs/dbraw/zinc/01/11/82/136011182.db2.gz AWYNESLOSCUZMJ-TZMCWYRMSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000347751041 136011183 /nfs/dbraw/zinc/01/11/83/136011183.db2.gz AWYNESLOSCUZMJ-TZMCWYRMSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000347751040 136011467 /nfs/dbraw/zinc/01/14/67/136011467.db2.gz AWYNESLOSCUZMJ-OCCSQVGLSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000347751040 136011468 /nfs/dbraw/zinc/01/14/68/136011468.db2.gz AWYNESLOSCUZMJ-OCCSQVGLSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311681 136030305 /nfs/dbraw/zinc/03/03/05/136030305.db2.gz MXTDUHIUEMYIQK-FZMZJTMJSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311681 136030306 /nfs/dbraw/zinc/03/03/06/136030306.db2.gz MXTDUHIUEMYIQK-FZMZJTMJSA-N 2 2 244.338 2.473 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCC(C)(C)O ZINC000348195757 136050772 /nfs/dbraw/zinc/05/07/72/136050772.db2.gz YGAUWHJOFWGLTG-UHFFFAOYSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335325967 136051953 /nfs/dbraw/zinc/05/19/53/136051953.db2.gz MYVRAHVCWBNZEJ-CYBMUJFWSA-N 2 2 241.338 2.365 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335325967 136051954 /nfs/dbraw/zinc/05/19/54/136051954.db2.gz MYVRAHVCWBNZEJ-CYBMUJFWSA-N 2 2 241.338 2.365 20 0 BEADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000348242908 136056372 /nfs/dbraw/zinc/05/63/72/136056372.db2.gz KSFZQVKUVRNUPO-ZJUUUORDSA-N 2 2 247.264 2.156 20 0 BEADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000348242908 136056373 /nfs/dbraw/zinc/05/63/73/136056373.db2.gz KSFZQVKUVRNUPO-ZJUUUORDSA-N 2 2 247.264 2.156 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC1(O)CCC1 ZINC000348263734 136058218 /nfs/dbraw/zinc/05/82/18/136058218.db2.gz UUJQOWOJYQOLRU-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC1(O)CCC1 ZINC000348263734 136058219 /nfs/dbraw/zinc/05/82/19/136058219.db2.gz UUJQOWOJYQOLRU-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@@H]1OC ZINC000348275138 136059361 /nfs/dbraw/zinc/05/93/61/136059361.db2.gz CBWGNQRLXXUGFH-XQQFMLRXSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CC[NH+](C)C)C1(CC)CC ZINC000348317234 136068517 /nfs/dbraw/zinc/06/85/17/136068517.db2.gz JGKJXLGJUAYARC-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1 ZINC000335355468 136070806 /nfs/dbraw/zinc/07/08/06/136070806.db2.gz IQHNTFJOFSNMBU-CMPLNLGQSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1 ZINC000335355468 136070807 /nfs/dbraw/zinc/07/08/07/136070807.db2.gz IQHNTFJOFSNMBU-CMPLNLGQSA-N 2 2 242.326 2.013 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000348378644 136074240 /nfs/dbraw/zinc/07/42/40/136074240.db2.gz KAVURGSHGVYCKG-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000348378644 136074241 /nfs/dbraw/zinc/07/42/41/136074241.db2.gz KAVURGSHGVYCKG-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1F ZINC000335562337 136106522 /nfs/dbraw/zinc/10/65/22/136106522.db2.gz SMKLYZIMSNFZLT-UHFFFAOYSA-N 2 2 248.345 2.462 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCC[C@H](C)C1 ZINC000647540227 397782602 /nfs/dbraw/zinc/78/26/02/397782602.db2.gz CCAVDUCHUHAOAD-CRWXNKLISA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCC[C@H](C)C1 ZINC000647540227 397782606 /nfs/dbraw/zinc/78/26/06/397782606.db2.gz CCAVDUCHUHAOAD-CRWXNKLISA-N 2 2 242.382 2.445 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000308913992 397843179 /nfs/dbraw/zinc/84/31/79/397843179.db2.gz AWFAROBQKGWLPU-MDZLAQPJSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000308913992 397843181 /nfs/dbraw/zinc/84/31/81/397843181.db2.gz AWFAROBQKGWLPU-MDZLAQPJSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000182669867 397862982 /nfs/dbraw/zinc/86/29/82/397862982.db2.gz LRGQMSKQRQQTNP-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000182669867 397862987 /nfs/dbraw/zinc/86/29/87/397862987.db2.gz LRGQMSKQRQQTNP-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP CC[C@H](F)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000440491288 397927921 /nfs/dbraw/zinc/92/79/21/397927921.db2.gz GVVJFGYWUQELKB-LBPRGKRZSA-N 2 2 216.344 2.152 20 0 BEADLP CC[C@H](F)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000440491288 397927928 /nfs/dbraw/zinc/92/79/28/397927928.db2.gz GVVJFGYWUQELKB-LBPRGKRZSA-N 2 2 216.344 2.152 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449555368 397956159 /nfs/dbraw/zinc/95/61/59/397956159.db2.gz RIGKPOJMIGOKGN-ABHRYQDASA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449555368 397956162 /nfs/dbraw/zinc/95/61/62/397956162.db2.gz RIGKPOJMIGOKGN-ABHRYQDASA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538492 397918991 /nfs/dbraw/zinc/91/89/91/397918991.db2.gz LLDSJXKBTPSRON-YFKTTZPYSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537938 397919197 /nfs/dbraw/zinc/91/91/97/397919197.db2.gz VBTRGFVQACEENB-HTUGSXCWSA-N 2 2 248.345 2.210 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC2(CCC2)CC1 ZINC000649611290 397996837 /nfs/dbraw/zinc/99/68/37/397996837.db2.gz RQXAXFPJQIJNSZ-CYBMUJFWSA-N 2 2 222.376 2.347 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC2(CCC2)CC1 ZINC000649611290 397996839 /nfs/dbraw/zinc/99/68/39/397996839.db2.gz RQXAXFPJQIJNSZ-CYBMUJFWSA-N 2 2 222.376 2.347 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000166885298 398004193 /nfs/dbraw/zinc/00/41/93/398004193.db2.gz GKCZGCCKYLYJMP-PWSUYJOCSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000166885298 398004197 /nfs/dbraw/zinc/00/41/97/398004197.db2.gz GKCZGCCKYLYJMP-PWSUYJOCSA-N 2 2 224.373 2.493 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272625695 397980184 /nfs/dbraw/zinc/98/01/84/397980184.db2.gz MNNJFUBWGPABCX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272625695 397980188 /nfs/dbraw/zinc/98/01/88/397980188.db2.gz MNNJFUBWGPABCX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272625695 397980190 /nfs/dbraw/zinc/98/01/90/397980190.db2.gz MNNJFUBWGPABCX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272625695 397980193 /nfs/dbraw/zinc/98/01/93/397980193.db2.gz MNNJFUBWGPABCX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccccn2)CCCCCC1 ZINC000414857830 398066094 /nfs/dbraw/zinc/06/60/94/398066094.db2.gz GESCSDUNYIBCSA-UHFFFAOYSA-N 2 2 233.359 2.223 20 0 BEADLP c1cn(CCC[NH2+]C2(C3CCC3)CC2)c[nH+]1 ZINC000649810657 398116879 /nfs/dbraw/zinc/11/68/79/398116879.db2.gz UGAKTFDTVHKSIN-UHFFFAOYSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1cc(NCC[N@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000062010314 398109924 /nfs/dbraw/zinc/10/99/24/398109924.db2.gz MLATZCVOPSRRRN-UHFFFAOYSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1cc(NCC[N@@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000062010314 398109925 /nfs/dbraw/zinc/10/99/25/398109925.db2.gz MLATZCVOPSRRRN-UHFFFAOYSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1cc(C)cc(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000397952971 398125161 /nfs/dbraw/zinc/12/51/61/398125161.db2.gz BBSNHWKDCXGOJG-UHFFFAOYSA-N 2 2 232.371 2.487 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCC[C@@H]1CCO1 ZINC000638547577 398127836 /nfs/dbraw/zinc/12/78/36/398127836.db2.gz GSQUAEJCPHZSDQ-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000062771990 1172781054 /nfs/dbraw/zinc/78/10/54/1172781054.db2.gz ZBYIPZHVLRVDCC-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP c1oc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000259006316 322880905 /nfs/dbraw/zinc/88/09/05/322880905.db2.gz XFTQBEFTAXXKJP-GFCCVEGCSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327584 487563730 /nfs/dbraw/zinc/56/37/30/487563730.db2.gz IJFOZXOIMATKEW-JQWIXIFHSA-N 2 2 224.373 2.021 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2nccs2)[C@@H]1CC[NH3+] ZINC000404403906 487566893 /nfs/dbraw/zinc/56/68/93/487566893.db2.gz SYLNTTJOBFVCPV-GHMZBOCLSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2nccs2)[C@@H]1CC[NH3+] ZINC000404403906 487566898 /nfs/dbraw/zinc/56/68/98/487566898.db2.gz SYLNTTJOBFVCPV-GHMZBOCLSA-N 2 2 239.388 2.092 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000334849465 487573378 /nfs/dbraw/zinc/57/33/78/487573378.db2.gz VVBLHNDZJIADDZ-HTQZYQBOSA-N 2 2 245.779 2.156 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCSc1ccc(F)cc1 ZINC000383001199 487575638 /nfs/dbraw/zinc/57/56/38/487575638.db2.gz SPSZYNJKSVRMIN-SNVBAGLBSA-N 2 2 242.363 2.197 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCSc1ccc(F)cc1 ZINC000383001199 487575646 /nfs/dbraw/zinc/57/56/46/487575646.db2.gz SPSZYNJKSVRMIN-SNVBAGLBSA-N 2 2 242.363 2.197 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000324366741 487584024 /nfs/dbraw/zinc/58/40/24/487584024.db2.gz WWMIKJVWKXGUES-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000324366741 487584013 /nfs/dbraw/zinc/58/40/13/487584013.db2.gz WWMIKJVWKXGUES-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000335154155 487603515 /nfs/dbraw/zinc/60/35/15/487603515.db2.gz GFHYJGFEZFKHHP-UHFFFAOYSA-N 2 2 245.301 2.118 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1Cc2cccc(F)c2C1 ZINC000335154155 487603517 /nfs/dbraw/zinc/60/35/17/487603517.db2.gz GFHYJGFEZFKHHP-UHFFFAOYSA-N 2 2 245.301 2.118 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660069198 487608322 /nfs/dbraw/zinc/60/83/22/487608322.db2.gz YGOMYCKFNMIFDV-CQSZACIVSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000660069198 487608328 /nfs/dbraw/zinc/60/83/28/487608328.db2.gz YGOMYCKFNMIFDV-CQSZACIVSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000660069197 487608358 /nfs/dbraw/zinc/60/83/58/487608358.db2.gz YGOMYCKFNMIFDV-AWEZNQCLSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000660069197 487608362 /nfs/dbraw/zinc/60/83/62/487608362.db2.gz YGOMYCKFNMIFDV-AWEZNQCLSA-N 2 2 222.376 2.415 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662277213 409588997 /nfs/dbraw/zinc/58/89/97/409588997.db2.gz SMNSOWFQJGDTFI-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662277213 409589003 /nfs/dbraw/zinc/58/90/03/409589003.db2.gz SMNSOWFQJGDTFI-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000662278121 409596653 /nfs/dbraw/zinc/59/66/53/409596653.db2.gz WFFGLFIRVMNNJY-ZDUSSCGKSA-N 2 2 249.358 2.030 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000393358650 410677037 /nfs/dbraw/zinc/67/70/37/410677037.db2.gz YGVVACTZSYGJCT-LSDHHAIUSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000393358650 410677041 /nfs/dbraw/zinc/67/70/41/410677041.db2.gz YGVVACTZSYGJCT-LSDHHAIUSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000665294154 410783456 /nfs/dbraw/zinc/78/34/56/410783456.db2.gz JFSOTHBTQDMQIZ-ONGXEEELSA-N 2 2 224.373 2.323 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000665296308 410810037 /nfs/dbraw/zinc/81/00/37/410810037.db2.gz QHLBPQYUBOUPJM-VXGBXAGGSA-N 2 2 243.354 2.493 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000665296585 410810533 /nfs/dbraw/zinc/81/05/33/410810533.db2.gz VATYMPRGLHPBPJ-RISCZKNCSA-N 2 2 218.344 2.335 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000665296425 410812900 /nfs/dbraw/zinc/81/29/00/410812900.db2.gz SIPLPYJWEMDOQT-UWVGGRQHSA-N 2 2 238.400 2.495 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000665296640 410814737 /nfs/dbraw/zinc/81/47/37/410814737.db2.gz VTCUDTPBMZISQB-WPRPVWTQSA-N 2 2 210.321 2.155 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000651198346 410857467 /nfs/dbraw/zinc/85/74/67/410857467.db2.gz ARXXAUVPXBNWPL-UONOGXRCSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000651198346 410857475 /nfs/dbraw/zinc/85/74/75/410857475.db2.gz ARXXAUVPXBNWPL-UONOGXRCSA-N 2 2 233.359 2.217 20 0 BEADLP CC(C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201204 167004349 /nfs/dbraw/zinc/00/43/49/167004349.db2.gz BSWOSPFIVHIRRX-GFCCVEGCSA-N 2 2 200.370 2.208 20 0 BEADLP CC(C)C[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000052376868 167004914 /nfs/dbraw/zinc/00/49/14/167004914.db2.gz JKFFZLFZYZAPGH-CYBMUJFWSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000052377746 167119066 /nfs/dbraw/zinc/11/90/66/167119066.db2.gz JOBXITVTWDDPHG-UHFFFAOYSA-N 2 2 248.370 2.017 20 0 BEADLP CC(C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000052575523 167121448 /nfs/dbraw/zinc/12/14/48/167121448.db2.gz YPKYEXLZTHHUAD-UHFFFAOYSA-N 2 2 229.327 2.429 20 0 BEADLP CC(C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272342805 167146340 /nfs/dbraw/zinc/14/63/40/167146340.db2.gz ZWIYHUUNYIFPRJ-CYBMUJFWSA-N 2 2 248.374 2.042 20 0 BEADLP CC(C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272342808 167147242 /nfs/dbraw/zinc/14/72/42/167147242.db2.gz ZWIYHUUNYIFPRJ-ZDUSSCGKSA-N 2 2 248.374 2.042 20 0 BEADLP CC(C)OCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128265813 167225239 /nfs/dbraw/zinc/22/52/39/167225239.db2.gz WHQJCOFYXBPDEE-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128265813 167225240 /nfs/dbraw/zinc/22/52/40/167225240.db2.gz WHQJCOFYXBPDEE-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038087076 167292875 /nfs/dbraw/zinc/29/28/75/167292875.db2.gz YUGIYQWCJZBPPB-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038087076 167292877 /nfs/dbraw/zinc/29/28/77/167292877.db2.gz YUGIYQWCJZBPPB-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712507 167300445 /nfs/dbraw/zinc/30/04/45/167300445.db2.gz YVJBHIBLECHPBU-NSHDSACASA-N 2 2 222.332 2.083 20 0 BEADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000094079211 167308294 /nfs/dbraw/zinc/30/82/94/167308294.db2.gz UFFHZPCRLOBTPD-OCCSQVGLSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000094079208 167308422 /nfs/dbraw/zinc/30/84/22/167308422.db2.gz UFFHZPCRLOBTPD-TZMCWYRMSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000094079213 167308541 /nfs/dbraw/zinc/30/85/41/167308541.db2.gz UFFHZPCRLOBTPD-JSGCOSHPSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000041166558 167309922 /nfs/dbraw/zinc/30/99/22/167309922.db2.gz KHWOPNXGLGYNOW-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000041166558 167309924 /nfs/dbraw/zinc/30/99/24/167309924.db2.gz KHWOPNXGLGYNOW-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336684532 167334211 /nfs/dbraw/zinc/33/42/11/167334211.db2.gz ZQGHBIYJNOEXPB-RYUDHWBXSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336684532 167334212 /nfs/dbraw/zinc/33/42/12/167334212.db2.gz ZQGHBIYJNOEXPB-RYUDHWBXSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309321382 167334702 /nfs/dbraw/zinc/33/47/02/167334702.db2.gz FGXSEWRIWNIOMP-AAEUAGOBSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309321382 167334704 /nfs/dbraw/zinc/33/47/04/167334704.db2.gz FGXSEWRIWNIOMP-AAEUAGOBSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000122467871 167381441 /nfs/dbraw/zinc/38/14/41/167381441.db2.gz IOBAHQJLKVAGIZ-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153918 167383577 /nfs/dbraw/zinc/38/35/77/167383577.db2.gz WLPKXPZAPFMOHK-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651832999 411147081 /nfs/dbraw/zinc/14/70/81/411147081.db2.gz LTYADLNWZQUCBO-UHFFFAOYSA-N 2 2 244.382 2.359 20 0 BEADLP Cc1nocc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651865020 411148044 /nfs/dbraw/zinc/14/80/44/411148044.db2.gz LDQAMOMMFHPMJL-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP Cc1nocc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865020 411148045 /nfs/dbraw/zinc/14/80/45/411148045.db2.gz LDQAMOMMFHPMJL-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)s1 ZINC000401670741 411170999 /nfs/dbraw/zinc/17/09/99/411170999.db2.gz LDHSSVOYOPTVDP-GXSJLCMTSA-N 2 2 224.373 2.144 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000658094720 411243233 /nfs/dbraw/zinc/24/32/33/411243233.db2.gz ALFUULAALSIEQZ-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000658094720 411243236 /nfs/dbraw/zinc/24/32/36/411243236.db2.gz ALFUULAALSIEQZ-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP c1c2cnccc2oc1C[NH2+]CCC[NH+]1CCC1 ZINC000655753817 411184517 /nfs/dbraw/zinc/18/45/17/411184517.db2.gz GFXPMSRHKOPFFM-UHFFFAOYSA-N 2 2 245.326 2.013 20 0 BEADLP CC[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1O ZINC000353816879 411193179 /nfs/dbraw/zinc/19/31/79/411193179.db2.gz QALDHSSYSUFAKN-LSDHHAIUSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1O ZINC000353816879 411193185 /nfs/dbraw/zinc/19/31/85/411193185.db2.gz QALDHSSYSUFAKN-LSDHHAIUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000656226192 411215250 /nfs/dbraw/zinc/21/52/50/411215250.db2.gz LLZXDBHCPNDIMN-STQMWFEESA-N 2 2 246.358 2.214 20 0 BEADLP CCC(CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683519 411224182 /nfs/dbraw/zinc/22/41/82/411224182.db2.gz FUOVYZHNGVLRPM-AWEZNQCLSA-N 2 2 240.391 2.018 20 0 BEADLP CC1CC([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000658057759 411224501 /nfs/dbraw/zinc/22/45/01/411224501.db2.gz BNOOSURTCGONSF-MCIGGMRASA-N 2 2 210.365 2.247 20 0 BEADLP CC1CC([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658057759 411224504 /nfs/dbraw/zinc/22/45/04/411224504.db2.gz BNOOSURTCGONSF-MCIGGMRASA-N 2 2 210.365 2.247 20 0 BEADLP CC1(C)C[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CO1 ZINC000660092600 411227863 /nfs/dbraw/zinc/22/78/63/411227863.db2.gz ATRHREIYRHBCFB-LBPRGKRZSA-N 2 2 249.358 2.157 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062567 411228315 /nfs/dbraw/zinc/22/83/15/411228315.db2.gz SNKJVUHAUNGSCD-NWDGAFQWSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062567 411228317 /nfs/dbraw/zinc/22/83/17/411228317.db2.gz SNKJVUHAUNGSCD-NWDGAFQWSA-N 2 2 242.407 2.262 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)CS1 ZINC000655686548 411230319 /nfs/dbraw/zinc/23/03/19/411230319.db2.gz KQIJVZNEPTTWBW-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655693264 411239101 /nfs/dbraw/zinc/23/91/01/411239101.db2.gz VYFBRKJWNKGNPK-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655693264 411239104 /nfs/dbraw/zinc/23/91/04/411239104.db2.gz VYFBRKJWNKGNPK-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(OCC[NH+](C)C)c1 ZINC000656371301 411239273 /nfs/dbraw/zinc/23/92/73/411239273.db2.gz CGSPKFUABGOOGN-UHFFFAOYSA-N 2 2 245.326 2.028 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091075 411242234 /nfs/dbraw/zinc/24/22/34/411242234.db2.gz KTLYZRCSZTUTCP-NEPJUHHUSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091075 411242240 /nfs/dbraw/zinc/24/22/40/411242240.db2.gz KTLYZRCSZTUTCP-NEPJUHHUSA-N 2 2 212.381 2.493 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401654080 411272935 /nfs/dbraw/zinc/27/29/35/411272935.db2.gz SAWKTPRQKAZBPB-AVGNSLFASA-N 2 2 248.370 2.344 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)[N@H+](C)C1CC1 ZINC000655717262 411276707 /nfs/dbraw/zinc/27/67/07/411276707.db2.gz ZKWYJNQSFBEEPA-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)[N@@H+](C)C1CC1 ZINC000655717262 411276712 /nfs/dbraw/zinc/27/67/12/411276712.db2.gz ZKWYJNQSFBEEPA-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000656487316 411284463 /nfs/dbraw/zinc/28/44/63/411284463.db2.gz WBXDBVCPDKMBCZ-XHSDSOJGSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000656487316 411284466 /nfs/dbraw/zinc/28/44/66/411284466.db2.gz WBXDBVCPDKMBCZ-XHSDSOJGSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000658192424 411288291 /nfs/dbraw/zinc/28/82/91/411288291.db2.gz JTKMVXAOJSWJKQ-ZYHUDNBSSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000658192424 411288292 /nfs/dbraw/zinc/28/82/92/411288292.db2.gz JTKMVXAOJSWJKQ-ZYHUDNBSSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000401700709 411289538 /nfs/dbraw/zinc/28/95/38/411289538.db2.gz OJZGIZWUCRIJGV-SGMGOOAPSA-N 2 2 218.344 2.335 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cscn1 ZINC000658240557 411308949 /nfs/dbraw/zinc/30/89/49/411308949.db2.gz ZICFZTUDJYCHNT-QWRGUYRKSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cscn1 ZINC000658240557 411308951 /nfs/dbraw/zinc/30/89/51/411308951.db2.gz ZICFZTUDJYCHNT-QWRGUYRKSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCSC1 ZINC000658243301 411310063 /nfs/dbraw/zinc/31/00/63/411310063.db2.gz ZXMCWIWDKYKPHW-OLZOCXBDSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658286375 411323802 /nfs/dbraw/zinc/32/38/02/411323802.db2.gz RUUHNAQMBDKBIK-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658286375 411323806 /nfs/dbraw/zinc/32/38/06/411323806.db2.gz RUUHNAQMBDKBIK-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCC1 ZINC000658292875 411325612 /nfs/dbraw/zinc/32/56/12/411325612.db2.gz OBJPVPKQVIILKT-FZMZJTMJSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCC1 ZINC000658292875 411325615 /nfs/dbraw/zinc/32/56/15/411325615.db2.gz OBJPVPKQVIILKT-FZMZJTMJSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCC1 ZINC000658292873 411325689 /nfs/dbraw/zinc/32/56/89/411325689.db2.gz OBJPVPKQVIILKT-BXUZGUMPSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCC1 ZINC000658292873 411325692 /nfs/dbraw/zinc/32/56/92/411325692.db2.gz OBJPVPKQVIILKT-BXUZGUMPSA-N 2 2 220.360 2.169 20 0 BEADLP CCc1ccc(C)[nH+]c1NCc1[nH+]ccn1C ZINC000656778387 411357892 /nfs/dbraw/zinc/35/78/92/411357892.db2.gz WRUGJOYJNLZBJS-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP C[C@@H](C[NH2+]CC[NH2+]C(C)(C)C)c1ccccn1 ZINC000656782336 411359756 /nfs/dbraw/zinc/35/97/56/411359756.db2.gz FFMHXKVOMNTBBB-LBPRGKRZSA-N 2 2 235.375 2.163 20 0 BEADLP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000656790718 411371205 /nfs/dbraw/zinc/37/12/05/411371205.db2.gz LLBOHOWLBNECHD-OSAQELSMSA-N 2 2 230.355 2.262 20 0 BEADLP CC(C)C[C@@H](C)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583955 411337741 /nfs/dbraw/zinc/33/77/41/411337741.db2.gz OTCLQSYMGFZGTD-LLVKDONJSA-N 2 2 207.321 2.133 20 0 BEADLP CC(C)C[C@@H](C)[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583955 411337745 /nfs/dbraw/zinc/33/77/45/411337745.db2.gz OTCLQSYMGFZGTD-LLVKDONJSA-N 2 2 207.321 2.133 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660585485 411340069 /nfs/dbraw/zinc/34/00/69/411340069.db2.gz ZZSCFILPVWOHLF-JTQLQIEISA-N 2 2 241.285 2.134 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660585485 411340073 /nfs/dbraw/zinc/34/00/73/411340073.db2.gz ZZSCFILPVWOHLF-JTQLQIEISA-N 2 2 241.285 2.134 20 0 BEADLP CC1(C2CC2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000352175719 168015140 /nfs/dbraw/zinc/01/51/40/168015140.db2.gz IDTRVNMQIGNUGJ-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP CC1=CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000281692782 168100576 /nfs/dbraw/zinc/10/05/76/168100576.db2.gz BTIWSEGZXKBKRD-UHFFFAOYSA-N 2 2 227.311 2.486 20 0 BEADLP CC1=CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000281692782 168100577 /nfs/dbraw/zinc/10/05/77/168100577.db2.gz BTIWSEGZXKBKRD-UHFFFAOYSA-N 2 2 227.311 2.486 20 0 BEADLP Cc1cc[nH+]c(NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358347036 168112016 /nfs/dbraw/zinc/11/20/16/168112016.db2.gz ICHQGDVASQHPAN-UHFFFAOYSA-N 2 2 231.343 2.454 20 0 BEADLP Cc1cc[nH+]c(NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000358347036 168112019 /nfs/dbraw/zinc/11/20/19/168112019.db2.gz ICHQGDVASQHPAN-UHFFFAOYSA-N 2 2 231.343 2.454 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000336758721 168113002 /nfs/dbraw/zinc/11/30/02/168113002.db2.gz ZQBIUESIYIZCRH-HZSPNIEDSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000336758721 168113003 /nfs/dbraw/zinc/11/30/03/168113003.db2.gz ZQBIUESIYIZCRH-HZSPNIEDSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000294260776 168119039 /nfs/dbraw/zinc/11/90/39/168119039.db2.gz NUTSYPPYDNYOLX-QWHCGFSZSA-N 2 2 219.332 2.360 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3cn(C)c[nH+]3)c2C[C@@H]1C ZINC000660673433 411381046 /nfs/dbraw/zinc/38/10/46/411381046.db2.gz TYPFAIJKPZXVCB-MNOVXSKESA-N 2 2 244.342 2.036 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2Cc2cn(C)c[nH+]2)C[C@@H]1C ZINC000660673435 411381062 /nfs/dbraw/zinc/38/10/62/411381062.db2.gz TYPFAIJKPZXVCB-WDEREUQCSA-N 2 2 244.342 2.036 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777864 168156572 /nfs/dbraw/zinc/15/65/72/168156572.db2.gz JSKFKBYNLBTBGK-HHTDUIENSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777864 168156573 /nfs/dbraw/zinc/15/65/73/168156573.db2.gz JSKFKBYNLBTBGK-HHTDUIENSA-N 2 2 224.392 2.352 20 0 BEADLP CC1CCC([N@H+](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000042317311 168159167 /nfs/dbraw/zinc/15/91/67/168159167.db2.gz KOGJBHSEEQJNCC-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([N@@H+](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000042317311 168159169 /nfs/dbraw/zinc/15/91/69/168159169.db2.gz KOGJBHSEEQJNCC-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182622295 168179153 /nfs/dbraw/zinc/17/91/53/168179153.db2.gz QMXIVVICXZPMCO-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CCC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190303839 168203025 /nfs/dbraw/zinc/20/30/25/168203025.db2.gz BWXYLWPEXUFDFJ-GXTWGEPZSA-N 2 2 249.358 2.135 20 0 BEADLP CCC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190303839 168203027 /nfs/dbraw/zinc/20/30/27/168203027.db2.gz BWXYLWPEXUFDFJ-GXTWGEPZSA-N 2 2 249.358 2.135 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000656856680 411385947 /nfs/dbraw/zinc/38/59/47/411385947.db2.gz SSUBYKCVRSHWQC-LLVKDONJSA-N 2 2 249.383 2.245 20 0 BEADLP CC(C)(C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657300252 411455182 /nfs/dbraw/zinc/45/51/82/411455182.db2.gz CTQCCCPRCMJEJC-UHFFFAOYSA-N 2 2 221.348 2.355 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CO[C@H](CC)C1)[NH+]1CCCC1 ZINC000657306578 411457807 /nfs/dbraw/zinc/45/78/07/411457807.db2.gz NHDZCQYRSRPRRB-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CCC1 ZINC000414888935 411461346 /nfs/dbraw/zinc/46/13/46/411461346.db2.gz SBVQDLJLOZUAFB-UHFFFAOYSA-N 2 2 244.260 2.075 20 0 BEADLP FC1(F)CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000405051083 411415600 /nfs/dbraw/zinc/41/56/00/411415600.db2.gz HUMPQISEKKOKSK-UHFFFAOYSA-N 2 2 246.345 2.497 20 0 BEADLP FC1(F)CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000405051083 411415602 /nfs/dbraw/zinc/41/56/02/411415602.db2.gz HUMPQISEKKOKSK-UHFFFAOYSA-N 2 2 246.345 2.497 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000653541968 411419399 /nfs/dbraw/zinc/41/93/99/411419399.db2.gz BNECCSJEQDMOCH-AWEZNQCLSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C1CC1 ZINC000653541968 411419401 /nfs/dbraw/zinc/41/94/01/411419401.db2.gz BNECCSJEQDMOCH-AWEZNQCLSA-N 2 2 233.359 2.227 20 0 BEADLP CC[C@H]1C[N@H+](Cc2nc(C)cs2)CC[C@@H]1[NH3+] ZINC000122861737 411436388 /nfs/dbraw/zinc/43/63/88/411436388.db2.gz PTEAJXYJZKKBEW-QWRGUYRKSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2nc(C)cs2)CC[C@@H]1[NH3+] ZINC000122861737 411436390 /nfs/dbraw/zinc/43/63/90/411436390.db2.gz PTEAJXYJZKKBEW-QWRGUYRKSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CC[N@H+](CC)C2CC2)CCO1 ZINC000217514453 411439705 /nfs/dbraw/zinc/43/97/05/411439705.db2.gz GSMYBZGDQNVWRH-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)CCO1 ZINC000217514453 411439706 /nfs/dbraw/zinc/43/97/06/411439706.db2.gz GSMYBZGDQNVWRH-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1ncc(-c2ccccc2)o1 ZINC000123287592 411440929 /nfs/dbraw/zinc/44/09/29/411440929.db2.gz RSGBVXJYYOAZOK-UHFFFAOYSA-N 2 2 245.326 2.122 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1ncc(-c2ccccc2)o1 ZINC000123287592 411440932 /nfs/dbraw/zinc/44/09/32/411440932.db2.gz RSGBVXJYYOAZOK-UHFFFAOYSA-N 2 2 245.326 2.122 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CC=CCC1)CCC2 ZINC000657333048 411464048 /nfs/dbraw/zinc/46/40/48/411464048.db2.gz UNVBVCZPEZMGBP-GFCCVEGCSA-N 2 2 231.343 2.275 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2Cc3ccccc32)n1C ZINC000657347486 411474969 /nfs/dbraw/zinc/47/49/69/411474969.db2.gz UEKWJELMVRVCQY-ZDUSSCGKSA-N 2 2 241.338 2.158 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Oc1ccccc1C ZINC000415087737 411490333 /nfs/dbraw/zinc/49/03/33/411490333.db2.gz WNJUAIUFHLADCS-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cc(Cl)cc2cccnc21 ZINC000415100106 411491578 /nfs/dbraw/zinc/49/15/78/411491578.db2.gz AGIGCDGOMPCBQN-UHFFFAOYSA-N 2 2 249.745 2.279 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cc(Cl)cc2cccnc21 ZINC000415100106 411491583 /nfs/dbraw/zinc/49/15/83/411491583.db2.gz AGIGCDGOMPCBQN-UHFFFAOYSA-N 2 2 249.745 2.279 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000415089117 411491858 /nfs/dbraw/zinc/49/18/58/411491858.db2.gz MSPMUCDUUJXQJL-OSAQELSMSA-N 2 2 230.355 2.262 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657394674 411493463 /nfs/dbraw/zinc/49/34/63/411493463.db2.gz MNOLTFWXWIQCNQ-WCQYABFASA-N 2 2 233.359 2.498 20 0 BEADLP CCCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657396367 411493649 /nfs/dbraw/zinc/49/36/49/411493649.db2.gz RQKMIRXHOBWTBJ-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1(C3CC3)CCC1)CCC2 ZINC000657413830 411499926 /nfs/dbraw/zinc/49/99/26/411499926.db2.gz DXSLIPOYFLVOEY-UHFFFAOYSA-N 2 2 245.370 2.499 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000336750339 411510397 /nfs/dbraw/zinc/51/03/97/411510397.db2.gz URJSOBSDCMARFK-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000336750339 411510401 /nfs/dbraw/zinc/51/04/01/411510401.db2.gz URJSOBSDCMARFK-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000336750340 411511227 /nfs/dbraw/zinc/51/12/27/411511227.db2.gz URJSOBSDCMARFK-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000336750340 411511231 /nfs/dbraw/zinc/51/12/31/411511231.db2.gz URJSOBSDCMARFK-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cccc3c2CCC3)C1 ZINC000655793095 411515744 /nfs/dbraw/zinc/51/57/44/411515744.db2.gz UWYPQEOQBXPXQN-UHFFFAOYSA-N 2 2 244.382 2.358 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657465793 411519547 /nfs/dbraw/zinc/51/95/47/411519547.db2.gz HXRLMYXJEPURND-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657465793 411519550 /nfs/dbraw/zinc/51/95/50/411519550.db2.gz HXRLMYXJEPURND-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC1(C)C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CO1 ZINC000659998572 411524772 /nfs/dbraw/zinc/52/47/72/411524772.db2.gz IOTXAAQPXLLSTC-ZDUSSCGKSA-N 2 2 249.358 2.088 20 0 BEADLP CC(F)(F)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657476368 411525343 /nfs/dbraw/zinc/52/53/43/411525343.db2.gz GDTISPLSFXPHLZ-UHFFFAOYSA-N 2 2 243.301 2.354 20 0 BEADLP Cc1c[nH]c(CNc2cc3c(c[nH+]2)CCC3)[nH+]1 ZINC000657476086 411525350 /nfs/dbraw/zinc/52/53/50/411525350.db2.gz LGTCJEVIGCYTIH-UHFFFAOYSA-N 2 2 228.299 2.214 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)c(C)n2)n1C ZINC000657487755 411530766 /nfs/dbraw/zinc/53/07/66/411530766.db2.gz GSCJEBVTUWVXST-UHFFFAOYSA-N 2 2 244.342 2.030 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)C[C@H]1C ZINC000353752443 170009832 /nfs/dbraw/zinc/00/98/32/170009832.db2.gz LHRFURBDGXPACW-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)C[C@H]1C ZINC000353752443 170009833 /nfs/dbraw/zinc/00/98/33/170009833.db2.gz LHRFURBDGXPACW-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccn2)C[C@H]1C ZINC000353752443 170009835 /nfs/dbraw/zinc/00/98/35/170009835.db2.gz LHRFURBDGXPACW-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccn2)C[C@H]1C ZINC000353752443 170009836 /nfs/dbraw/zinc/00/98/36/170009836.db2.gz LHRFURBDGXPACW-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000252788708 170010578 /nfs/dbraw/zinc/01/05/78/170010578.db2.gz QWCRFMKSASUVJR-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000252788708 170010580 /nfs/dbraw/zinc/01/05/80/170010580.db2.gz QWCRFMKSASUVJR-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000161157780 170010737 /nfs/dbraw/zinc/01/07/37/170010737.db2.gz QWCRFMKSASUVJR-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000161157780 170010738 /nfs/dbraw/zinc/01/07/38/170010738.db2.gz QWCRFMKSASUVJR-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000336906108 170011551 /nfs/dbraw/zinc/01/15/51/170011551.db2.gz XJTOZSIVJQXDEU-LLVKDONJSA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000336906108 170011552 /nfs/dbraw/zinc/01/15/52/170011552.db2.gz XJTOZSIVJQXDEU-LLVKDONJSA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000328532216 170014101 /nfs/dbraw/zinc/01/41/01/170014101.db2.gz YDKRTVGOBUVVHD-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000328532216 170014102 /nfs/dbraw/zinc/01/41/02/170014102.db2.gz YDKRTVGOBUVVHD-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000328532215 170014589 /nfs/dbraw/zinc/01/45/89/170014589.db2.gz YDKRTVGOBUVVHD-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000328532215 170014590 /nfs/dbraw/zinc/01/45/90/170014590.db2.gz YDKRTVGOBUVVHD-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccn2)C[C@H]1C ZINC000353752442 170019499 /nfs/dbraw/zinc/01/94/99/170019499.db2.gz LHRFURBDGXPACW-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccn2)C[C@H]1C ZINC000353752442 170019500 /nfs/dbraw/zinc/01/95/00/170019500.db2.gz LHRFURBDGXPACW-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccn2)C[C@H]1C ZINC000353752442 170019501 /nfs/dbraw/zinc/01/95/01/170019501.db2.gz LHRFURBDGXPACW-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccn2)C[C@H]1C ZINC000353752442 170019502 /nfs/dbraw/zinc/01/95/02/170019502.db2.gz LHRFURBDGXPACW-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328393375 170022435 /nfs/dbraw/zinc/02/24/35/170022435.db2.gz YNPYQIWFDXYXNP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328393375 170022437 /nfs/dbraw/zinc/02/24/37/170022437.db2.gz YNPYQIWFDXYXNP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000336904777 170022855 /nfs/dbraw/zinc/02/28/55/170022855.db2.gz WIDKTLYOQIXPOA-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000336904777 170022857 /nfs/dbraw/zinc/02/28/57/170022857.db2.gz WIDKTLYOQIXPOA-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000328151192 170023055 /nfs/dbraw/zinc/02/30/55/170023055.db2.gz DNYAIWNWCCHJPY-AAEUAGOBSA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000328151192 170023056 /nfs/dbraw/zinc/02/30/56/170023056.db2.gz DNYAIWNWCCHJPY-AAEUAGOBSA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC000336667738 170023587 /nfs/dbraw/zinc/02/35/87/170023587.db2.gz NEIUITPDJXYEDL-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC000336667738 170023588 /nfs/dbraw/zinc/02/35/88/170023588.db2.gz NEIUITPDJXYEDL-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC000336667738 170023589 /nfs/dbraw/zinc/02/35/89/170023589.db2.gz NEIUITPDJXYEDL-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC000336667738 170023590 /nfs/dbraw/zinc/02/35/90/170023590.db2.gz NEIUITPDJXYEDL-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP c1cncc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655856622 411539255 /nfs/dbraw/zinc/53/92/55/411539255.db2.gz PLRKOWLDFUOTHS-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655856622 411539258 /nfs/dbraw/zinc/53/92/58/411539258.db2.gz PLRKOWLDFUOTHS-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000340478782 170031889 /nfs/dbraw/zinc/03/18/89/170031889.db2.gz NAPHNWFWHFTZMI-VXGBXAGGSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000340478782 170031890 /nfs/dbraw/zinc/03/18/90/170031890.db2.gz NAPHNWFWHFTZMI-VXGBXAGGSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H](C)C1 ZINC000336782747 170034903 /nfs/dbraw/zinc/03/49/03/170034903.db2.gz YRUJQRDLOUWZML-AVGNSLFASA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H](C)C1 ZINC000336782747 170034905 /nfs/dbraw/zinc/03/49/05/170034905.db2.gz YRUJQRDLOUWZML-AVGNSLFASA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C2CCC(C)CC2)[C@@H](C)C1 ZINC000309891409 170035941 /nfs/dbraw/zinc/03/59/41/170035941.db2.gz CSHTUIZTHDCYNN-YIOUJQMASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C2CCC(C)CC2)[C@@H](C)C1 ZINC000309891409 170035942 /nfs/dbraw/zinc/03/59/42/170035942.db2.gz CSHTUIZTHDCYNN-YIOUJQMASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000340478776 170036448 /nfs/dbraw/zinc/03/64/48/170036448.db2.gz NAPHNWFWHFTZMI-NWDGAFQWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000340478776 170036449 /nfs/dbraw/zinc/03/64/49/170036449.db2.gz NAPHNWFWHFTZMI-NWDGAFQWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC23CCCC3)[C@@H](C)C1 ZINC000336781541 170036749 /nfs/dbraw/zinc/03/67/49/170036749.db2.gz UWWCFAOYDNGXAR-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC23CCCC3)[C@@H](C)C1 ZINC000336781541 170036750 /nfs/dbraw/zinc/03/67/50/170036750.db2.gz UWWCFAOYDNGXAR-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000336777912 170037185 /nfs/dbraw/zinc/03/71/85/170037185.db2.gz JVRSQZGKUCNJDM-VHSXEESVSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000336777912 170037186 /nfs/dbraw/zinc/03/71/86/170037186.db2.gz JVRSQZGKUCNJDM-VHSXEESVSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@H](C)C2)C1 ZINC000336778098 170038717 /nfs/dbraw/zinc/03/87/17/170038717.db2.gz KIKPLIJMXLDSDA-XDQVBPFNSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@H](C)C2)C1 ZINC000336778098 170038718 /nfs/dbraw/zinc/03/87/18/170038718.db2.gz KIKPLIJMXLDSDA-XDQVBPFNSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCCC1 ZINC000657523876 411541224 /nfs/dbraw/zinc/54/12/24/411541224.db2.gz LNTWMIXTZNSJIE-LBPRGKRZSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCCC1 ZINC000657523876 411541225 /nfs/dbraw/zinc/54/12/25/411541225.db2.gz LNTWMIXTZNSJIE-LBPRGKRZSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000657527730 411541509 /nfs/dbraw/zinc/54/15/09/411541509.db2.gz YEDPXONFTAVYBK-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000657527730 411541511 /nfs/dbraw/zinc/54/15/11/411541511.db2.gz YEDPXONFTAVYBK-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660129633 411542291 /nfs/dbraw/zinc/54/22/91/411542291.db2.gz SJHXJOPHXDMSLG-YIYPIFLZSA-N 2 2 245.370 2.256 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660129633 411542293 /nfs/dbraw/zinc/54/22/93/411542293.db2.gz SJHXJOPHXDMSLG-YIYPIFLZSA-N 2 2 245.370 2.256 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000657527040 411544227 /nfs/dbraw/zinc/54/42/27/411544227.db2.gz PIXWDUWNDXMNJK-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000657527040 411544229 /nfs/dbraw/zinc/54/42/29/411544229.db2.gz PIXWDUWNDXMNJK-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@H](COC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849848 411536682 /nfs/dbraw/zinc/53/66/82/411536682.db2.gz ZIKAYBNBYHGNMW-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849848 411536684 /nfs/dbraw/zinc/53/66/84/411536684.db2.gz ZIKAYBNBYHGNMW-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849731 411537715 /nfs/dbraw/zinc/53/77/15/411537715.db2.gz YHDFVWYEQJAZBW-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849731 411537716 /nfs/dbraw/zinc/53/77/16/411537716.db2.gz YHDFVWYEQJAZBW-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000228714207 170115595 /nfs/dbraw/zinc/11/55/95/170115595.db2.gz QKGQEQPUJGKIGO-UHFFFAOYSA-N 2 2 246.276 2.405 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563794 411552140 /nfs/dbraw/zinc/55/21/40/411552140.db2.gz RDBRCTBDHRMZQK-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563794 411552141 /nfs/dbraw/zinc/55/21/41/411552141.db2.gz RDBRCTBDHRMZQK-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563796 411552409 /nfs/dbraw/zinc/55/24/09/411552409.db2.gz RDBRCTBDHRMZQK-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563796 411552411 /nfs/dbraw/zinc/55/24/11/411552411.db2.gz RDBRCTBDHRMZQK-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000657563755 411552636 /nfs/dbraw/zinc/55/26/36/411552636.db2.gz QIZKKGQILFUWCQ-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000657563755 411552640 /nfs/dbraw/zinc/55/26/40/411552640.db2.gz QIZKKGQILFUWCQ-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564222 411552743 /nfs/dbraw/zinc/55/27/43/411552743.db2.gz XBSFXACEOSZFQZ-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564222 411552744 /nfs/dbraw/zinc/55/27/44/411552744.db2.gz XBSFXACEOSZFQZ-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289474228 170152248 /nfs/dbraw/zinc/15/22/48/170152248.db2.gz XINCUIPPVGOFBS-OLZOCXBDSA-N 2 2 204.317 2.041 20 0 BEADLP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289474228 170152251 /nfs/dbraw/zinc/15/22/51/170152251.db2.gz XINCUIPPVGOFBS-OLZOCXBDSA-N 2 2 204.317 2.041 20 0 BEADLP CC[C@H](C)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657586514 411557527 /nfs/dbraw/zinc/55/75/27/411557527.db2.gz JFBAUTJCWTUJJX-NSHDSACASA-N 2 2 238.379 2.012 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@@H+]1C1CC1 ZINC000657664511 411577395 /nfs/dbraw/zinc/57/73/95/411577395.db2.gz KVIQBCJPENCBOE-FOGDFJRCSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@H+]1C1CC1 ZINC000657664511 411577396 /nfs/dbraw/zinc/57/73/96/411577396.db2.gz KVIQBCJPENCBOE-FOGDFJRCSA-N 2 2 244.329 2.247 20 0 BEADLP CCOC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354638838 170431152 /nfs/dbraw/zinc/43/11/52/170431152.db2.gz VNLHMJGFDZKTDV-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC1CC1 ZINC000657693440 411579690 /nfs/dbraw/zinc/57/96/90/411579690.db2.gz MJMZUUAKSNUIOP-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC1CC1 ZINC000657693439 411579898 /nfs/dbraw/zinc/57/98/98/411579898.db2.gz MJMZUUAKSNUIOP-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713608 411586411 /nfs/dbraw/zinc/58/64/11/411586411.db2.gz IHOQKOMUBNUDJO-DTZQCDIJSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713608 411586413 /nfs/dbraw/zinc/58/64/13/411586413.db2.gz IHOQKOMUBNUDJO-DTZQCDIJSA-N 2 2 244.382 2.472 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000657741141 411588737 /nfs/dbraw/zinc/58/87/37/411588737.db2.gz DMWMRUQTHFXPJR-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000657741141 411588739 /nfs/dbraw/zinc/58/87/39/411588739.db2.gz DMWMRUQTHFXPJR-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000657741733 411589420 /nfs/dbraw/zinc/58/94/20/411589420.db2.gz ICBURCUTZNJCNW-RQJABVFESA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000657741733 411589421 /nfs/dbraw/zinc/58/94/21/411589421.db2.gz ICBURCUTZNJCNW-RQJABVFESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657757518 411590100 /nfs/dbraw/zinc/59/01/00/411590100.db2.gz SVKQYMCNTDITPD-AWEZNQCLSA-N 2 2 233.359 2.354 20 0 BEADLP CC1(C)[C@H]([NH2+]CC[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000657824712 411607704 /nfs/dbraw/zinc/60/77/04/411607704.db2.gz KBRXAPNOFBYSSQ-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCCSCC1 ZINC000657830272 411608812 /nfs/dbraw/zinc/60/88/12/411608812.db2.gz GNTNKOFMFKCYIH-CYBMUJFWSA-N 2 2 242.432 2.348 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCSCC1 ZINC000657836359 411609820 /nfs/dbraw/zinc/60/98/20/411609820.db2.gz UQUDVHWTCAEVMZ-NEPJUHHUSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCSCC1 ZINC000657836367 411610018 /nfs/dbraw/zinc/61/00/18/411610018.db2.gz UQUDVHWTCAEVMZ-VXGBXAGGSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3cn(C)c[nH+]3)c2C[C@H]1C ZINC000660673432 411616791 /nfs/dbraw/zinc/61/67/91/411616791.db2.gz TYPFAIJKPZXVCB-GHMZBOCLSA-N 2 2 244.342 2.036 20 0 BEADLP CC[C@H](C)[N@H+](CC)CCCn1cc[nH+]c1 ZINC000661103802 411706841 /nfs/dbraw/zinc/70/68/41/411706841.db2.gz CFRNTCHOUUDXAY-LBPRGKRZSA-N 2 2 209.337 2.394 20 0 BEADLP CC[C@H](C)[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000661103802 411706843 /nfs/dbraw/zinc/70/68/43/411706843.db2.gz CFRNTCHOUUDXAY-LBPRGKRZSA-N 2 2 209.337 2.394 20 0 BEADLP CC[C@@H](C)[N@H+](CC)CCc1c[nH+]cn1C ZINC000661105526 411710191 /nfs/dbraw/zinc/71/01/91/411710191.db2.gz YCDTZNFOLSKCDA-LLVKDONJSA-N 2 2 209.337 2.083 20 0 BEADLP CC[C@@H](C)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000661105526 411710195 /nfs/dbraw/zinc/71/01/95/411710195.db2.gz YCDTZNFOLSKCDA-LLVKDONJSA-N 2 2 209.337 2.083 20 0 BEADLP C[C@@H](CNc1[nH+]ccc2c(N)cccc21)[NH+](C)C ZINC000663438728 411659661 /nfs/dbraw/zinc/65/96/61/411659661.db2.gz JEZRBEBLNKTQLB-JTQLQIEISA-N 2 2 244.342 2.179 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502854 411687425 /nfs/dbraw/zinc/68/74/25/411687425.db2.gz YDRSXCVZSFYQBE-QPJJXVBHSA-N 2 2 228.339 2.041 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@@H]([NH3+])C(C)C)c[nH+]1 ZINC000663502995 411687595 /nfs/dbraw/zinc/68/75/95/411687595.db2.gz KXKUUPYIMITDFC-OAHLLOKOSA-N 3 2 249.402 2.286 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000663508741 411690782 /nfs/dbraw/zinc/69/07/82/411690782.db2.gz UFABSJHHSPBQPE-QMMMGPOBSA-N 2 2 212.362 2.062 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000663509960 411691832 /nfs/dbraw/zinc/69/18/32/411691832.db2.gz NHUIUVLIBRFAEY-BYCRGOAPSA-N 2 2 222.307 2.036 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc[nH+]1 ZINC000664137041 411867645 /nfs/dbraw/zinc/86/76/45/411867645.db2.gz LJSPEANYBQKTGS-LBPRGKRZSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc[nH+]1 ZINC000664137041 411867647 /nfs/dbraw/zinc/86/76/47/411867647.db2.gz LJSPEANYBQKTGS-LBPRGKRZSA-N 2 2 248.374 2.317 20 0 BEADLP c1cn(CC[N@@H+](CCC2CC2)CC2CC2)c[nH+]1 ZINC000662179408 412021054 /nfs/dbraw/zinc/02/10/54/412021054.db2.gz OFSYDDNMWKGURB-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+](CCC2CC2)CC2CC2)c[nH+]1 ZINC000662179408 412021056 /nfs/dbraw/zinc/02/10/56/412021056.db2.gz OFSYDDNMWKGURB-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H](C3CCC3)C2)c[nH+]1 ZINC000662045489 411963661 /nfs/dbraw/zinc/96/36/61/411963661.db2.gz XQPTZLBLKLSJKQ-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H](C3CCC3)C2)c[nH+]1 ZINC000662045489 411963664 /nfs/dbraw/zinc/96/36/64/411963664.db2.gz XQPTZLBLKLSJKQ-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CC=CC1 ZINC000662234197 412031911 /nfs/dbraw/zinc/03/19/11/412031911.db2.gz JQFAODNNBMSINQ-AAEUAGOBSA-N 2 2 208.349 2.154 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000662234197 412031913 /nfs/dbraw/zinc/03/19/13/412031913.db2.gz JQFAODNNBMSINQ-AAEUAGOBSA-N 2 2 208.349 2.154 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000271578774 171039162 /nfs/dbraw/zinc/03/91/62/171039162.db2.gz RQNNQBWHHNYOOY-VXGBXAGGSA-N 2 2 207.321 2.146 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000271578774 171039163 /nfs/dbraw/zinc/03/91/63/171039163.db2.gz RQNNQBWHHNYOOY-VXGBXAGGSA-N 2 2 207.321 2.146 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000310038232 171042576 /nfs/dbraw/zinc/04/25/76/171042576.db2.gz VWZQMZUVRFARGB-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000310038232 171042579 /nfs/dbraw/zinc/04/25/79/171042579.db2.gz VWZQMZUVRFARGB-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000336763149 171043602 /nfs/dbraw/zinc/04/36/02/171043602.db2.gz OOMWNVYYJOQOKO-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000336763149 171043604 /nfs/dbraw/zinc/04/36/04/171043604.db2.gz OOMWNVYYJOQOKO-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000310033063 171044071 /nfs/dbraw/zinc/04/40/71/171044071.db2.gz RTTUDAHXSURNJV-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336741016 171044888 /nfs/dbraw/zinc/04/48/88/171044888.db2.gz VDLFIIHEIIGLJT-WZRBSPASSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336741016 171044891 /nfs/dbraw/zinc/04/48/91/171044891.db2.gz VDLFIIHEIIGLJT-WZRBSPASSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309705670 171045393 /nfs/dbraw/zinc/04/53/93/171045393.db2.gz OIOWHTXVKYFKRL-MHDGFBEUSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309705670 171045395 /nfs/dbraw/zinc/04/53/95/171045395.db2.gz OIOWHTXVKYFKRL-MHDGFBEUSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000310033065 171058847 /nfs/dbraw/zinc/05/88/47/171058847.db2.gz RTTUDAHXSURNJV-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309432114 171060074 /nfs/dbraw/zinc/06/00/74/171060074.db2.gz ADCIQLMRSXFYEB-OUAUKWLOSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309432114 171060078 /nfs/dbraw/zinc/06/00/78/171060078.db2.gz ADCIQLMRSXFYEB-OUAUKWLOSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000336651476 171117120 /nfs/dbraw/zinc/11/71/20/171117120.db2.gz VGODZSKVAUNKAI-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000336651476 171117122 /nfs/dbraw/zinc/11/71/22/171117122.db2.gz VGODZSKVAUNKAI-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000662278491 412070961 /nfs/dbraw/zinc/07/09/61/412070961.db2.gz YKHVPVBFWCCMIY-LBPRGKRZSA-N 2 2 237.347 2.015 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CC1CC=CC1 ZINC000662285132 412077939 /nfs/dbraw/zinc/07/79/39/412077939.db2.gz XMWLMYCPOLJTIF-UHFFFAOYSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2CC1CC=CC1 ZINC000662285132 412077944 /nfs/dbraw/zinc/07/79/44/412077944.db2.gz XMWLMYCPOLJTIF-UHFFFAOYSA-N 2 2 220.360 2.156 20 0 BEADLP CC[C@H](C(=O)Nc1cc[nH+]cc1C)[NH+](CC)CC ZINC000266858550 171235331 /nfs/dbraw/zinc/23/53/31/171235331.db2.gz SZVHKTYFKMYXEC-CYBMUJFWSA-N 2 2 249.358 2.449 20 0 BEADLP CC[C@H](C)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771745 171284572 /nfs/dbraw/zinc/28/45/72/171284572.db2.gz QUTWVKZRJBIXHB-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028785 171285151 /nfs/dbraw/zinc/28/51/51/171285151.db2.gz WJMIWBFUNKEOOL-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000309999477 171285420 /nfs/dbraw/zinc/28/54/20/171285420.db2.gz DHFRDTADGNCDSI-NSHDSACASA-N 2 2 221.348 2.355 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336735855 171340813 /nfs/dbraw/zinc/34/08/13/171340813.db2.gz OTEMESMYFSOMOB-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336735855 171340814 /nfs/dbraw/zinc/34/08/14/171340814.db2.gz OTEMESMYFSOMOB-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000310019369 171367794 /nfs/dbraw/zinc/36/77/94/171367794.db2.gz MJPMBKBGDTUKNY-AXFHLTTASA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000310019369 171367796 /nfs/dbraw/zinc/36/77/96/171367796.db2.gz MJPMBKBGDTUKNY-AXFHLTTASA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054111047 171388957 /nfs/dbraw/zinc/38/89/57/171388957.db2.gz MBYATVBMNFZGSF-RYUDHWBXSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054111047 171388958 /nfs/dbraw/zinc/38/89/58/171388958.db2.gz MBYATVBMNFZGSF-RYUDHWBXSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000310017440 171390354 /nfs/dbraw/zinc/39/03/54/171390354.db2.gz LKYUWPLRRFZMSE-SDDRHHMPSA-N 2 2 221.348 2.222 20 0 BEADLP CCc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304401 412088023 /nfs/dbraw/zinc/08/80/23/412088023.db2.gz REYOSQIGGUBHFR-UHFFFAOYSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304401 412088027 /nfs/dbraw/zinc/08/80/27/412088027.db2.gz REYOSQIGGUBHFR-UHFFFAOYSA-N 2 2 230.355 2.172 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662318623 412099180 /nfs/dbraw/zinc/09/91/80/412099180.db2.gz CNXATMOGJQTMEH-YPMHNXCESA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662318623 412099183 /nfs/dbraw/zinc/09/91/83/412099183.db2.gz CNXATMOGJQTMEH-YPMHNXCESA-N 2 2 210.365 2.378 20 0 BEADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[NH+](C)C ZINC000276480147 171470196 /nfs/dbraw/zinc/47/01/96/171470196.db2.gz OAQAUSWNJWKPEO-OAHLLOKOSA-N 2 2 234.387 2.467 20 0 BEADLP CC(C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251291 412196891 /nfs/dbraw/zinc/19/68/91/412196891.db2.gz LYYRXIIJKVVWDW-ZIAGYGMSSA-N 2 2 218.344 2.130 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665276599 412219144 /nfs/dbraw/zinc/21/91/44/412219144.db2.gz HNWODTIYJRLCLD-XIKARTHZSA-N 2 2 246.354 2.098 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276481 412219966 /nfs/dbraw/zinc/21/99/66/412219966.db2.gz DLGVHZQABFBKIW-XIKARTHZSA-N 2 2 246.354 2.098 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)oc1C ZINC000665279425 412223667 /nfs/dbraw/zinc/22/36/67/412223667.db2.gz BYOCCOITENRMKB-PWQPVHBWSA-N 2 2 234.343 2.299 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(F)c1 ZINC000665297268 412235014 /nfs/dbraw/zinc/23/50/14/412235014.db2.gz CECREIHKPKOCRW-ZWNOBZJWSA-N 2 2 224.323 2.474 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665293928 412238454 /nfs/dbraw/zinc/23/84/54/412238454.db2.gz FSEXVLDENFUROE-NWDGAFQWSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000665294374 412238760 /nfs/dbraw/zinc/23/87/60/412238760.db2.gz NNKGHXIYKQDIPT-VXGBXAGGSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000665293901 412239176 /nfs/dbraw/zinc/23/91/76/412239176.db2.gz FAAOQHZJXUYGRG-RYUDHWBXSA-N 2 2 236.359 2.262 20 0 BEADLP CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccn1 ZINC000665296468 412242445 /nfs/dbraw/zinc/24/24/45/412242445.db2.gz SVZVLDQBDPGXPC-WCQYABFASA-N 2 2 221.348 2.120 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000665296583 412242563 /nfs/dbraw/zinc/24/25/63/412242563.db2.gz VATYMPRGLHPBPJ-BXUZGUMPSA-N 2 2 218.344 2.335 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000665297853 412244047 /nfs/dbraw/zinc/24/40/47/412244047.db2.gz MZTUYMYDUSVILK-BDAKNGLRSA-N 2 2 228.361 2.015 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccc1F ZINC000665297733 412244237 /nfs/dbraw/zinc/24/42/37/412244237.db2.gz KRYDHESOXUPDHE-GXFFZTMASA-N 2 2 224.323 2.474 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(F)c1 ZINC000665297265 412244743 /nfs/dbraw/zinc/24/47/43/412244743.db2.gz CECREIHKPKOCRW-GWCFXTLKSA-N 2 2 224.323 2.474 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000665298705 412245835 /nfs/dbraw/zinc/24/58/35/412245835.db2.gz ZYSYKXJWYHVWSG-GHMZBOCLSA-N 2 2 238.379 2.031 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccsc1 ZINC000665298527 412245857 /nfs/dbraw/zinc/24/58/57/412245857.db2.gz XJJWPLHYSZJJFQ-KOLCDFICSA-N 2 2 212.362 2.397 20 0 BEADLP CCn1cc[nH+]c1CNc1cc(C)cc[nH+]1 ZINC000269164470 172223408 /nfs/dbraw/zinc/22/34/08/172223408.db2.gz WJLCMFSVNFZLHR-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336770796 172468409 /nfs/dbraw/zinc/46/84/09/172468409.db2.gz VWYUSTYOAPJBQF-VXGBXAGGSA-N 2 2 216.344 2.056 20 0 BEADLP C[N@@H+]1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000292930374 173038673 /nfs/dbraw/zinc/03/86/73/173038673.db2.gz ZEJOGJNJYBFYEX-CQSZACIVSA-N 2 2 231.343 2.004 20 0 BEADLP C[N@H+]1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000292930374 173038677 /nfs/dbraw/zinc/03/86/77/173038677.db2.gz ZEJOGJNJYBFYEX-CQSZACIVSA-N 2 2 231.343 2.004 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000061988961 173123030 /nfs/dbraw/zinc/12/30/30/173123030.db2.gz RJSFLKPPPSHLQJ-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000061988961 173123031 /nfs/dbraw/zinc/12/30/31/173123031.db2.gz RJSFLKPPPSHLQJ-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683216 173123088 /nfs/dbraw/zinc/12/30/88/173123088.db2.gz KGMMVMIZJBCJGF-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683216 173123090 /nfs/dbraw/zinc/12/30/90/173123090.db2.gz KGMMVMIZJBCJGF-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC000272642056 173133868 /nfs/dbraw/zinc/13/38/68/173133868.db2.gz OLQWMUKCNNTMAV-CABCVRRESA-N 2 2 230.355 2.213 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC000272642056 173133871 /nfs/dbraw/zinc/13/38/71/173133871.db2.gz OLQWMUKCNNTMAV-CABCVRRESA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000272642056 173133872 /nfs/dbraw/zinc/13/38/72/173133872.db2.gz OLQWMUKCNNTMAV-CABCVRRESA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000272642056 173133875 /nfs/dbraw/zinc/13/38/75/173133875.db2.gz OLQWMUKCNNTMAV-CABCVRRESA-N 2 2 230.355 2.213 20 0 BEADLP C[NH2+]C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000124392458 173323479 /nfs/dbraw/zinc/32/34/79/173323479.db2.gz JDLUZVUCCPKNRV-UHFFFAOYSA-N 2 2 238.297 2.403 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000133082269 173369075 /nfs/dbraw/zinc/36/90/75/173369075.db2.gz BAYXHHSIMLVCRK-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C ZINC000133082269 173369073 /nfs/dbraw/zinc/36/90/73/173369073.db2.gz BAYXHHSIMLVCRK-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000071147710 173370769 /nfs/dbraw/zinc/37/07/69/173370769.db2.gz OJVWFSBTJMCTPK-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000071147710 173370770 /nfs/dbraw/zinc/37/07/70/173370770.db2.gz OJVWFSBTJMCTPK-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000039781778 173379719 /nfs/dbraw/zinc/37/97/19/173379719.db2.gz URNXNUIOMPIGPF-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000039781778 173379721 /nfs/dbraw/zinc/37/97/21/173379721.db2.gz URNXNUIOMPIGPF-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000133218893 173380094 /nfs/dbraw/zinc/38/00/94/173380094.db2.gz CXIVNQIFPJGTPJ-FUVBFXSKSA-N 2 2 230.355 2.384 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000133218893 173380096 /nfs/dbraw/zinc/38/00/96/173380096.db2.gz CXIVNQIFPJGTPJ-FUVBFXSKSA-N 2 2 230.355 2.384 20 0 BEADLP COC1(C[NH2+]C[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000319494700 174001811 /nfs/dbraw/zinc/00/18/11/174001811.db2.gz VHQBLIHZPCPTDD-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+]C[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000319494700 174001814 /nfs/dbraw/zinc/00/18/14/174001814.db2.gz VHQBLIHZPCPTDD-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+]CCc2cc[nH+]cc2C)CCCC1 ZINC000359697651 174002011 /nfs/dbraw/zinc/00/20/11/174002011.db2.gz CMOGNELWHJJGBU-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP COCC(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000291669376 174073747 /nfs/dbraw/zinc/07/37/47/174073747.db2.gz GFUVTTGEMKYABG-UHFFFAOYSA-N 2 2 247.342 2.097 20 0 BEADLP COCCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000124424176 174176104 /nfs/dbraw/zinc/17/61/04/174176104.db2.gz LPKZYLWATONUGX-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP COCCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124424176 174176107 /nfs/dbraw/zinc/17/61/07/174176107.db2.gz LPKZYLWATONUGX-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358246480 174262956 /nfs/dbraw/zinc/26/29/56/174262956.db2.gz ZFGGECBLKJILCE-AWEZNQCLSA-N 2 2 240.391 2.043 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358246480 174262957 /nfs/dbraw/zinc/26/29/57/174262957.db2.gz ZFGGECBLKJILCE-AWEZNQCLSA-N 2 2 240.391 2.043 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000119054954 174383074 /nfs/dbraw/zinc/38/30/74/174383074.db2.gz NYQLJTNYAJUOPG-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326122 175078965 /nfs/dbraw/zinc/07/89/65/175078965.db2.gz RGDGZBJMMOTBDF-CHWSQXEVSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000042544274 175189720 /nfs/dbraw/zinc/18/97/20/175189720.db2.gz RSDWWGYIGVLJDG-WCQYABFASA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000042544274 175189721 /nfs/dbraw/zinc/18/97/21/175189721.db2.gz RSDWWGYIGVLJDG-WCQYABFASA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000177253552 175286796 /nfs/dbraw/zinc/28/67/96/175286796.db2.gz PEQFXBUCOAWLQW-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000177253552 175286798 /nfs/dbraw/zinc/28/67/98/175286798.db2.gz PEQFXBUCOAWLQW-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1/C=C/C[N@@H+]1CCC[NH2+]CC1 ZINC000071560977 175313800 /nfs/dbraw/zinc/31/38/00/175313800.db2.gz WOTBLNZIEZTFGY-QPJJXVBHSA-N 2 2 246.354 2.004 20 0 BEADLP COc1ccccc1/C=C/C[N@H+]1CCC[NH2+]CC1 ZINC000071560977 175313802 /nfs/dbraw/zinc/31/38/02/175313802.db2.gz WOTBLNZIEZTFGY-QPJJXVBHSA-N 2 2 246.354 2.004 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@@H](C)C[NH+](C)C ZINC000342185269 175314825 /nfs/dbraw/zinc/31/48/25/175314825.db2.gz CHQDNZBONKQJTC-XOVSCCBYSA-N 2 2 248.370 2.248 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@H](C)C[NH+](C)C ZINC000342185266 175314960 /nfs/dbraw/zinc/31/49/60/175314960.db2.gz CHQDNZBONKQJTC-BUUCAEBMSA-N 2 2 248.370 2.248 20 0 BEADLP COc1ccccc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000176705045 175324495 /nfs/dbraw/zinc/32/44/95/175324495.db2.gz AVFAXIVCDJWMBH-UHFFFAOYSA-N 2 2 245.326 2.024 20 0 BEADLP COc1ccccc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000176705045 175324496 /nfs/dbraw/zinc/32/44/96/175324496.db2.gz AVFAXIVCDJWMBH-UHFFFAOYSA-N 2 2 245.326 2.024 20 0 BEADLP COc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063191538 175327413 /nfs/dbraw/zinc/32/74/13/175327413.db2.gz OCEVZNQNEMPCQB-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063191538 175327414 /nfs/dbraw/zinc/32/74/14/175327414.db2.gz OCEVZNQNEMPCQB-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226340432 175327974 /nfs/dbraw/zinc/32/79/74/175327974.db2.gz OQLGYRZTJAEJLM-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226340432 175327976 /nfs/dbraw/zinc/32/79/76/175327976.db2.gz OQLGYRZTJAEJLM-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000020096616 175344840 /nfs/dbraw/zinc/34/48/40/175344840.db2.gz WKVMSVKPVBVYHG-GFCCVEGCSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CC1(C)C ZINC000309101527 175880283 /nfs/dbraw/zinc/88/02/83/175880283.db2.gz FZVRXLOKWKUSGR-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC([NH3+])CC1 ZINC000034958681 176012632 /nfs/dbraw/zinc/01/26/32/176012632.db2.gz LOKLPGSRIPQVHV-VIFPVBQESA-N 2 2 240.297 2.449 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086704 176074948 /nfs/dbraw/zinc/07/49/48/176074948.db2.gz SREOGLUZORHDBK-JHJVBQTASA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086704 176074950 /nfs/dbraw/zinc/07/49/50/176074950.db2.gz SREOGLUZORHDBK-JHJVBQTASA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765244 176077349 /nfs/dbraw/zinc/07/73/49/176077349.db2.gz AOMQMTOXCPSLKF-GHMZBOCLSA-N 2 2 207.321 2.326 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353633370 176081661 /nfs/dbraw/zinc/08/16/61/176081661.db2.gz WZYYIPKSFMWHSD-UTUOFQBUSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353633370 176081665 /nfs/dbraw/zinc/08/16/65/176081665.db2.gz WZYYIPKSFMWHSD-UTUOFQBUSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765246 176085410 /nfs/dbraw/zinc/08/54/10/176085410.db2.gz AOMQMTOXCPSLKF-MNOVXSKESA-N 2 2 207.321 2.326 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353633369 176089485 /nfs/dbraw/zinc/08/94/85/176089485.db2.gz WZYYIPKSFMWHSD-IJLUTSLNSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353633369 176089487 /nfs/dbraw/zinc/08/94/87/176089487.db2.gz WZYYIPKSFMWHSD-IJLUTSLNSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCCCC1 ZINC000053341470 176109247 /nfs/dbraw/zinc/10/92/47/176109247.db2.gz FAZFSQQPKRRHDR-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCCCC1 ZINC000053341470 176109249 /nfs/dbraw/zinc/10/92/49/176109249.db2.gz FAZFSQQPKRRHDR-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[NH+](C)C ZINC000038088691 176113928 /nfs/dbraw/zinc/11/39/28/176113928.db2.gz MJTSFNZVPVQIAI-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000040638503 176123768 /nfs/dbraw/zinc/12/37/68/176123768.db2.gz OWISOBHIGYUPGJ-VXGBXAGGSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)O1 ZINC000336321400 176203493 /nfs/dbraw/zinc/20/34/93/176203493.db2.gz OVTYRBMHTZZRGK-YPMHNXCESA-N 2 2 249.358 2.157 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000328242480 487633508 /nfs/dbraw/zinc/63/35/08/487633508.db2.gz ISYSJDBAELWGFT-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000328242480 487633513 /nfs/dbraw/zinc/63/35/13/487633513.db2.gz ISYSJDBAELWGFT-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000360046219 176274062 /nfs/dbraw/zinc/27/40/62/176274062.db2.gz PGCKXPDPXQYOLT-RTXFEEFZSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000360046219 176274063 /nfs/dbraw/zinc/27/40/63/176274063.db2.gz PGCKXPDPXQYOLT-RTXFEEFZSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000358215027 176274511 /nfs/dbraw/zinc/27/45/11/176274511.db2.gz GDARKVFVPITLAR-KMUNFCNLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000358215027 176274512 /nfs/dbraw/zinc/27/45/12/176274512.db2.gz GDARKVFVPITLAR-KMUNFCNLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000336781265 176274900 /nfs/dbraw/zinc/27/49/00/176274900.db2.gz UFBAECKASCZXJG-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000336781265 176274901 /nfs/dbraw/zinc/27/49/01/176274901.db2.gz UFBAECKASCZXJG-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000358003015 176277127 /nfs/dbraw/zinc/27/71/27/176277127.db2.gz IFQGRSBOCQIAND-KCPJHIHWSA-N 2 2 230.355 2.214 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000358003015 176277129 /nfs/dbraw/zinc/27/71/29/176277129.db2.gz IFQGRSBOCQIAND-KCPJHIHWSA-N 2 2 230.355 2.214 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309116228 176277776 /nfs/dbraw/zinc/27/77/76/176277776.db2.gz LQIFHRWIIGRYLV-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309116228 176277777 /nfs/dbraw/zinc/27/77/77/176277777.db2.gz LQIFHRWIIGRYLV-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000336750870 176279231 /nfs/dbraw/zinc/27/92/31/176279231.db2.gz FZZRVWVPRNLADX-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000336750870 176279232 /nfs/dbraw/zinc/27/92/32/176279232.db2.gz FZZRVWVPRNLADX-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000309747134 176282097 /nfs/dbraw/zinc/28/20/97/176282097.db2.gz FVSLNUITFLMFBL-RTXFEEFZSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000309747134 176282099 /nfs/dbraw/zinc/28/20/99/176282099.db2.gz FVSLNUITFLMFBL-RTXFEEFZSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000270901774 176295731 /nfs/dbraw/zinc/29/57/31/176295731.db2.gz REHHYEUZKANQEZ-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000270901774 176295733 /nfs/dbraw/zinc/29/57/33/176295733.db2.gz REHHYEUZKANQEZ-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1[NH3+] ZINC000235396726 176310931 /nfs/dbraw/zinc/31/09/31/176310931.db2.gz SMWHHGLGMLRVTK-MFKMUULPSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1[NH3+] ZINC000235396726 176310932 /nfs/dbraw/zinc/31/09/32/176310932.db2.gz SMWHHGLGMLRVTK-MFKMUULPSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@H+](CC2CCCCC2)C1 ZINC000049661963 176325994 /nfs/dbraw/zinc/32/59/94/176325994.db2.gz AHCLVTYGCWGKDF-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@@H+](CC2CCCCC2)C1 ZINC000049661963 176325996 /nfs/dbraw/zinc/32/59/96/176325996.db2.gz AHCLVTYGCWGKDF-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000231632317 176378897 /nfs/dbraw/zinc/37/88/97/176378897.db2.gz XASJXOJFDAQIHI-JHJVBQTASA-N 2 2 220.360 2.310 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000231632317 176378899 /nfs/dbraw/zinc/37/88/99/176378899.db2.gz XASJXOJFDAQIHI-JHJVBQTASA-N 2 2 220.360 2.310 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000336778290 176397217 /nfs/dbraw/zinc/39/72/17/176397217.db2.gz KZAGZTDZPPYBSR-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000070733496 176872245 /nfs/dbraw/zinc/87/22/45/176872245.db2.gz VRSMBBULRVIEKV-CMPLNLGQSA-N 2 2 239.388 2.183 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323660 176920465 /nfs/dbraw/zinc/92/04/65/176920465.db2.gz VYBVHHNPDZRPCJ-AAEUAGOBSA-N 2 2 204.317 2.089 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765247 177085921 /nfs/dbraw/zinc/08/59/21/177085921.db2.gz AOMQMTOXCPSLKF-QWRGUYRKSA-N 2 2 207.321 2.326 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2ccsc2)[C@@H]1C[NH3+] ZINC000069725980 177102611 /nfs/dbraw/zinc/10/26/11/177102611.db2.gz ZCHDXDAIDQQHTQ-CMPLNLGQSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2ccsc2)[C@@H]1C[NH3+] ZINC000069725980 177102613 /nfs/dbraw/zinc/10/26/13/177102613.db2.gz ZCHDXDAIDQQHTQ-CMPLNLGQSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1[C@@H](C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182818771 177161327 /nfs/dbraw/zinc/16/13/27/177161327.db2.gz SVMHKQXYPHEGHF-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1[C@@H](C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182818771 177161330 /nfs/dbraw/zinc/16/13/30/177161330.db2.gz SVMHKQXYPHEGHF-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000162002979 177162107 /nfs/dbraw/zinc/16/21/07/177162107.db2.gz MKJKRPCDASYOPL-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[C@@H](C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000162002979 177162109 /nfs/dbraw/zinc/16/21/09/177162109.db2.gz MKJKRPCDASYOPL-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300369310 177184006 /nfs/dbraw/zinc/18/40/06/177184006.db2.gz WYEIWLSRMYLTKX-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300369310 177184008 /nfs/dbraw/zinc/18/40/08/177184008.db2.gz WYEIWLSRMYLTKX-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336757236 177236021 /nfs/dbraw/zinc/23/60/21/177236021.db2.gz JXWBVYOOCDMXKP-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336757236 177236024 /nfs/dbraw/zinc/23/60/24/177236024.db2.gz JXWBVYOOCDMXKP-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677198 177236165 /nfs/dbraw/zinc/23/61/65/177236165.db2.gz BLEFECQIYDWMAT-GWCFXTLKSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677198 177236166 /nfs/dbraw/zinc/23/61/66/177236166.db2.gz BLEFECQIYDWMAT-GWCFXTLKSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798164 177236354 /nfs/dbraw/zinc/23/63/54/177236354.db2.gz QPVSLKBVMVGGHZ-AHPWVWPOSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798164 177236356 /nfs/dbraw/zinc/23/63/56/177236356.db2.gz QPVSLKBVMVGGHZ-AHPWVWPOSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562158 177237047 /nfs/dbraw/zinc/23/70/47/177237047.db2.gz IJPJDVRDNUJSMP-WCQYABFASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562158 177237048 /nfs/dbraw/zinc/23/70/48/177237048.db2.gz IJPJDVRDNUJSMP-WCQYABFASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990896 177237111 /nfs/dbraw/zinc/23/71/11/177237111.db2.gz FJBGYYXFEAWINN-DZGCQCFKSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990896 177237112 /nfs/dbraw/zinc/23/71/12/177237112.db2.gz FJBGYYXFEAWINN-DZGCQCFKSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831897 177238643 /nfs/dbraw/zinc/23/86/43/177238643.db2.gz YSLVXMTWRFQXEK-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831897 177238645 /nfs/dbraw/zinc/23/86/45/177238645.db2.gz YSLVXMTWRFQXEK-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770773 177239681 /nfs/dbraw/zinc/23/96/81/177239681.db2.gz WZJZDPWMTVXXRJ-MROQNXINSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770773 177239684 /nfs/dbraw/zinc/23/96/84/177239684.db2.gz WZJZDPWMTVXXRJ-MROQNXINSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000355584112 177242793 /nfs/dbraw/zinc/24/27/93/177242793.db2.gz OWQVBIDMZHIGMF-UKTARXLSSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000355584112 177242796 /nfs/dbraw/zinc/24/27/96/177242796.db2.gz OWQVBIDMZHIGMF-UKTARXLSSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352812077 177243072 /nfs/dbraw/zinc/24/30/72/177243072.db2.gz YMXVKNIWTUOQPB-YWPYICTPSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352812077 177243073 /nfs/dbraw/zinc/24/30/73/177243073.db2.gz YMXVKNIWTUOQPB-YWPYICTPSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000131566161 177324683 /nfs/dbraw/zinc/32/46/83/177324683.db2.gz SAJXSMHVYNKMOQ-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000131566161 177324686 /nfs/dbraw/zinc/32/46/86/177324686.db2.gz SAJXSMHVYNKMOQ-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000309772306 177331973 /nfs/dbraw/zinc/33/19/73/177331973.db2.gz KSOSTVPMUJLYGL-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000309772306 177331975 /nfs/dbraw/zinc/33/19/75/177331975.db2.gz KSOSTVPMUJLYGL-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CC[N@@H+]1C ZINC000090720413 177333985 /nfs/dbraw/zinc/33/39/85/177333985.db2.gz PZVMHVARVSJNIC-JQWIXIFHSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CC[N@H+]1C ZINC000090720413 177333987 /nfs/dbraw/zinc/33/39/87/177333987.db2.gz PZVMHVARVSJNIC-JQWIXIFHSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@@H+]1C ZINC000093643900 177364081 /nfs/dbraw/zinc/36/40/81/177364081.db2.gz LPPBJCQMRIVJIA-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@H+]1C ZINC000093643900 177364084 /nfs/dbraw/zinc/36/40/84/177364084.db2.gz LPPBJCQMRIVJIA-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643900 177364086 /nfs/dbraw/zinc/36/40/86/177364086.db2.gz LPPBJCQMRIVJIA-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643900 177364088 /nfs/dbraw/zinc/36/40/88/177364088.db2.gz LPPBJCQMRIVJIA-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1C ZINC000093644762 177364517 /nfs/dbraw/zinc/36/45/17/177364517.db2.gz XOWUZAYHCKPZIB-GXTWGEPZSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000093644762 177364520 /nfs/dbraw/zinc/36/45/20/177364520.db2.gz XOWUZAYHCKPZIB-GXTWGEPZSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644762 177364522 /nfs/dbraw/zinc/36/45/22/177364522.db2.gz XOWUZAYHCKPZIB-GXTWGEPZSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644762 177364524 /nfs/dbraw/zinc/36/45/24/177364524.db2.gz XOWUZAYHCKPZIB-GXTWGEPZSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000336775818 177382244 /nfs/dbraw/zinc/38/22/44/177382244.db2.gz CTTIEIVCLNQWJD-RYUDHWBXSA-N 2 2 219.332 2.129 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3c[nH]c[nH+]3)c2C[C@@H]1C ZINC000295142890 177387642 /nfs/dbraw/zinc/38/76/42/177387642.db2.gz LEZUIYQXUJIAGS-ZJUUUORDSA-N 2 2 230.315 2.025 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(CCn3cc[nH+]c3)c2C[C@@H]1C ZINC000295070667 177388107 /nfs/dbraw/zinc/38/81/07/177388107.db2.gz CLNDHTDOYMPJSP-NEPJUHHUSA-N 2 2 244.342 2.151 20 0 BEADLP C[C@H]1Cc2[nH+]cn(CCn3cc[nH+]c3)c2C[C@@H]1C ZINC000295070669 177391045 /nfs/dbraw/zinc/39/10/45/177391045.db2.gz CLNDHTDOYMPJSP-RYUDHWBXSA-N 2 2 244.342 2.151 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2Cc2c[nH+]cn2C)C[C@@H]1C ZINC000295082470 177391313 /nfs/dbraw/zinc/39/13/13/177391313.db2.gz DMTKQODXQGAPLA-WDEREUQCSA-N 2 2 244.342 2.036 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH+](C)C ZINC000287098101 177391366 /nfs/dbraw/zinc/39/13/66/177391366.db2.gz PWHVWTURUPQWQW-FZMZJTMJSA-N 2 2 218.344 2.071 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400384407 225118984 /nfs/dbraw/zinc/11/89/84/225118984.db2.gz LLPWSHKHTWSEHP-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](O)CC2)c[nH+]1 ZINC000474886260 225122491 /nfs/dbraw/zinc/12/24/91/225122491.db2.gz HJCISUCHBIRNCK-SHTZXODSSA-N 2 2 248.370 2.216 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccncc2)CCC[N@@H+]1C ZINC000487573198 225316361 /nfs/dbraw/zinc/31/63/61/225316361.db2.gz NBUMRNVZCCFCOP-YTRREALPSA-N 2 2 245.370 2.167 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccncc2)CCC[N@H+]1C ZINC000487573198 225316366 /nfs/dbraw/zinc/31/63/66/225316366.db2.gz NBUMRNVZCCFCOP-YTRREALPSA-N 2 2 245.370 2.167 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000494884703 226270604 /nfs/dbraw/zinc/27/06/04/226270604.db2.gz YXLDBSQTGOESJI-MBNYWOFBSA-N 2 2 247.386 2.396 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400408761 226342821 /nfs/dbraw/zinc/34/28/21/226342821.db2.gz SFGVVKQJRBZYFU-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400698304 226349710 /nfs/dbraw/zinc/34/97/10/226349710.db2.gz BJDCPAXWYXNAND-MBNYWOFBSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912609 487653070 /nfs/dbraw/zinc/65/30/70/487653070.db2.gz JQELBKSYRJLUQO-ABAIWWIYSA-N 2 2 243.354 2.208 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912609 487653073 /nfs/dbraw/zinc/65/30/73/487653073.db2.gz JQELBKSYRJLUQO-ABAIWWIYSA-N 2 2 243.354 2.208 20 0 BEADLP FC(F)(F)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000176885705 487687651 /nfs/dbraw/zinc/68/76/51/487687651.db2.gz NWXLTCPQGJUHMQ-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP FC(F)(F)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000176885705 487687656 /nfs/dbraw/zinc/68/76/56/487687656.db2.gz NWXLTCPQGJUHMQ-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000669699659 487694218 /nfs/dbraw/zinc/69/42/18/487694218.db2.gz HZTHFDMNLXUYSB-KGLIPLIRSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000669699659 487694225 /nfs/dbraw/zinc/69/42/25/487694225.db2.gz HZTHFDMNLXUYSB-KGLIPLIRSA-N 2 2 234.387 2.393 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)n1C ZINC000667649945 487695491 /nfs/dbraw/zinc/69/54/91/487695491.db2.gz HIUMLZZORQCSRB-ZJUUUORDSA-N 2 2 239.388 2.054 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)n1C ZINC000667649945 487695497 /nfs/dbraw/zinc/69/54/97/487695497.db2.gz HIUMLZZORQCSRB-ZJUUUORDSA-N 2 2 239.388 2.054 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CCO1 ZINC000097928655 487704990 /nfs/dbraw/zinc/70/49/90/487704990.db2.gz ZFOCLYUTOQXPHU-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000328534367 487707367 /nfs/dbraw/zinc/70/73/67/487707367.db2.gz ZLGRADGUFQKQCN-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000328534367 487707368 /nfs/dbraw/zinc/70/73/68/487707368.db2.gz ZLGRADGUFQKQCN-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CC[N@H+](C)CC[NH2+]C(C)(C)C ZINC000042308492 487713506 /nfs/dbraw/zinc/71/35/06/487713506.db2.gz DJSXFNWMZULZDU-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)CC[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000042308492 487713508 /nfs/dbraw/zinc/71/35/08/487713508.db2.gz DJSXFNWMZULZDU-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000226434237 487744482 /nfs/dbraw/zinc/74/44/82/487744482.db2.gz GZSATMFJZSTXSY-VNHYZAJKSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000226434237 487744489 /nfs/dbraw/zinc/74/44/89/487744489.db2.gz GZSATMFJZSTXSY-VNHYZAJKSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226432327 487744679 /nfs/dbraw/zinc/74/46/79/487744679.db2.gz XQGBSLOOFXNPKR-BPLDGKMQSA-N 2 2 248.370 2.186 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000226432327 487744681 /nfs/dbraw/zinc/74/46/81/487744681.db2.gz XQGBSLOOFXNPKR-BPLDGKMQSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000675548665 487745824 /nfs/dbraw/zinc/74/58/24/487745824.db2.gz YKMYTNKYZQVGND-GFCCVEGCSA-N 2 2 246.358 2.050 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000675548665 487745826 /nfs/dbraw/zinc/74/58/26/487745826.db2.gz YKMYTNKYZQVGND-GFCCVEGCSA-N 2 2 246.358 2.050 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234884066 487747319 /nfs/dbraw/zinc/74/73/19/487747319.db2.gz GEPRHIBSVONAPJ-OLZOCXBDSA-N 2 2 248.370 2.488 20 0 BEADLP CC[C@@](C)(C[NH2+][C@H](C)C[NH+]1CCCCC1)OC ZINC000233959712 487755518 /nfs/dbraw/zinc/75/55/18/487755518.db2.gz NQTOUMDNXREEKQ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000234188208 487771586 /nfs/dbraw/zinc/77/15/86/487771586.db2.gz LWSGYEMMMFRKLK-HNNXBMFYSA-N 2 2 232.371 2.481 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414950827 487774513 /nfs/dbraw/zinc/77/45/13/487774513.db2.gz IFTQCSNORPIAAD-OCCSQVGLSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000223447010 487775999 /nfs/dbraw/zinc/77/59/99/487775999.db2.gz BGQSMPIZYAUTGV-KBPBESRZSA-N 2 2 246.398 2.331 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000414961385 487778833 /nfs/dbraw/zinc/77/88/33/487778833.db2.gz VRTYOULSWXLUPN-ZPZWRKOSSA-N 2 2 230.355 2.430 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](CO)C2CCC2)c[nH+]1 ZINC000668457130 487781073 /nfs/dbraw/zinc/78/10/73/487781073.db2.gz ZUBPASWJOKIWDB-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302115 487800276 /nfs/dbraw/zinc/80/02/76/487800276.db2.gz JTLLOVHRLMNNMX-KBPBESRZSA-N 2 2 249.358 2.007 20 0 BEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302115 487800280 /nfs/dbraw/zinc/80/02/80/487800280.db2.gz JTLLOVHRLMNNMX-KBPBESRZSA-N 2 2 249.358 2.007 20 0 BEADLP CC[C@H]1C[N@H+](Cc2nc(C)cs2)CC[C@H]1[NH3+] ZINC000251828230 487801062 /nfs/dbraw/zinc/80/10/62/487801062.db2.gz PTEAJXYJZKKBEW-WDEREUQCSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2nc(C)cs2)CC[C@H]1[NH3+] ZINC000251828230 487801066 /nfs/dbraw/zinc/80/10/66/487801066.db2.gz PTEAJXYJZKKBEW-WDEREUQCSA-N 2 2 239.388 2.011 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000234403362 487819299 /nfs/dbraw/zinc/81/92/99/487819299.db2.gz MSMCKLZUOQWRBJ-QMMMGPOBSA-N 2 2 230.714 2.177 20 0 BEADLP [NH3+]CCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000414766544 487823709 /nfs/dbraw/zinc/82/37/09/487823709.db2.gz RFWHQZSANKJXNI-CYBMUJFWSA-N 2 2 240.297 2.045 20 0 BEADLP [NH3+]CCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000414766544 487823714 /nfs/dbraw/zinc/82/37/14/487823714.db2.gz RFWHQZSANKJXNI-CYBMUJFWSA-N 2 2 240.297 2.045 20 0 BEADLP C[N@@H+]1CCc2cc(-c3ccc[nH+]c3N)ccc2C1 ZINC001243474097 970763168 /nfs/dbraw/zinc/76/31/68/970763168.db2.gz UJWTZMPMVMFSDL-UHFFFAOYSA-N 2 2 239.322 2.319 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401794495 487832259 /nfs/dbraw/zinc/83/22/59/487832259.db2.gz YFIGUXYTWRBRDX-DOMZBBRYSA-N 2 2 232.371 2.337 20 0 BEADLP CC[C@@H](COC)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000553514108 322947859 /nfs/dbraw/zinc/94/78/59/322947859.db2.gz HWPNIDCVDDSFSO-LBPRGKRZSA-N 2 2 247.342 2.157 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1scnc1C1CC1 ZINC000415117333 487838166 /nfs/dbraw/zinc/83/81/66/487838166.db2.gz CGIJMTZYMGFHTQ-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1scnc1C1CC1 ZINC000415117333 487838173 /nfs/dbraw/zinc/83/81/73/487838173.db2.gz CGIJMTZYMGFHTQ-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP c1cc2cc(C[NH2+]C[C@@H]3CCC[NH2+]3)ccc2cn1 ZINC000666783864 487857575 /nfs/dbraw/zinc/85/75/75/487857575.db2.gz BPPCXSNSALPUON-HNNXBMFYSA-N 2 2 241.338 2.076 20 0 BEADLP CCc1cc(NCCc2cn(C)c[nH+]2)cc[nH+]1 ZINC000313479229 322956865 /nfs/dbraw/zinc/95/68/65/322956865.db2.gz ILMLIZDCNNQOCQ-UHFFFAOYSA-N 2 2 230.315 2.032 20 0 BEADLP Cc1ccc(CCC[N@H+](CCO)C2CCC2)c[nH+]1 ZINC000684406258 487864098 /nfs/dbraw/zinc/86/40/98/487864098.db2.gz WXAGQPQLOBZEHU-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@@H+](CCO)C2CCC2)c[nH+]1 ZINC000684406258 487864102 /nfs/dbraw/zinc/86/41/02/487864102.db2.gz WXAGQPQLOBZEHU-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP COCc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000234721741 487867329 /nfs/dbraw/zinc/86/73/29/487867329.db2.gz SPEPRHRBJOJYDT-OAHLLOKOSA-N 2 2 248.370 2.065 20 0 BEADLP C[N@H+]1CCc2cc(-c3ccc[nH+]c3N)ccc2C1 ZINC001243474097 970763182 /nfs/dbraw/zinc/76/31/82/970763182.db2.gz UJWTZMPMVMFSDL-UHFFFAOYSA-N 2 2 239.322 2.319 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000668512257 487871598 /nfs/dbraw/zinc/87/15/98/487871598.db2.gz NVIHVYDNHRQOGZ-SHTZXODSSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000666857854 487873398 /nfs/dbraw/zinc/87/33/98/487873398.db2.gz MLSWVSPOVXXBAL-HNNXBMFYSA-N 3 2 247.386 2.054 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768251 487876066 /nfs/dbraw/zinc/87/60/66/487876066.db2.gz FGNWUIZMABVKNB-AJHXJQRKSA-N 2 2 230.355 2.432 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768252 487876079 /nfs/dbraw/zinc/87/60/79/487876079.db2.gz FGNWUIZMABVKNB-PPYMECGQSA-N 2 2 230.355 2.432 20 0 BEADLP COc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1C ZINC000666770669 487876613 /nfs/dbraw/zinc/87/66/13/487876613.db2.gz PEACULLPNZFOIS-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP c1ccc2c(c1)ccnc2C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000666783268 487879982 /nfs/dbraw/zinc/87/99/82/487879982.db2.gz SXQBTHDIJFSMGN-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)n1C ZINC000668219710 487881538 /nfs/dbraw/zinc/88/15/38/487881538.db2.gz UHHKFXLSGRDQRT-HUUCEWRRSA-N 2 2 245.370 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)n1C ZINC000668219710 487881543 /nfs/dbraw/zinc/88/15/43/487881543.db2.gz UHHKFXLSGRDQRT-HUUCEWRRSA-N 2 2 245.370 2.349 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cccc2cnccc21 ZINC000666820080 487885772 /nfs/dbraw/zinc/88/57/72/487885772.db2.gz YREHKVNUAZKULZ-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc2cnccc2c1 ZINC000666820934 487885783 /nfs/dbraw/zinc/88/57/83/487885783.db2.gz VXGAKWWZODNVEP-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP Fc1cccc(F)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855426 487891085 /nfs/dbraw/zinc/89/10/85/487891085.db2.gz REGHZPDUKJNGDL-SNVBAGLBSA-N 2 2 240.297 2.197 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc2cnccc2c1 ZINC000666878581 487895888 /nfs/dbraw/zinc/89/58/88/487895888.db2.gz OOALZAHMYJNVBV-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666910470 487901245 /nfs/dbraw/zinc/90/12/45/487901245.db2.gz SLSGFYNLYCUJMW-GFCCVEGCSA-N 2 2 229.327 2.062 20 0 BEADLP C[N@@H+](Cc1ccc(Cl)cc1)CC1C[NH+](C)C1 ZINC000668537204 487901461 /nfs/dbraw/zinc/90/14/61/487901461.db2.gz AMNHUDHKARADIW-UHFFFAOYSA-N 2 2 238.762 2.333 20 0 BEADLP C[N@H+](Cc1ccc(Cl)cc1)CC1C[NH+](C)C1 ZINC000668537204 487901464 /nfs/dbraw/zinc/90/14/64/487901464.db2.gz AMNHUDHKARADIW-UHFFFAOYSA-N 2 2 238.762 2.333 20 0 BEADLP Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1F ZINC000668540054 487904962 /nfs/dbraw/zinc/90/49/62/487904962.db2.gz VGXKBBXWJPHNAK-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1F ZINC000668540054 487904966 /nfs/dbraw/zinc/90/49/66/487904966.db2.gz VGXKBBXWJPHNAK-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP C[N@H+](CC1C[NH+](C)C1)CC(C)(C)c1ccccc1 ZINC000668540191 487906572 /nfs/dbraw/zinc/90/65/72/487906572.db2.gz ZFUIVKOVYSLXEV-UHFFFAOYSA-N 2 2 246.398 2.458 20 0 BEADLP C[N@@H+](CC1C[NH+](C)C1)CC(C)(C)c1ccccc1 ZINC000668540191 487906574 /nfs/dbraw/zinc/90/65/74/487906574.db2.gz ZFUIVKOVYSLXEV-UHFFFAOYSA-N 2 2 246.398 2.458 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666945475 487909940 /nfs/dbraw/zinc/90/99/40/487909940.db2.gz SCUHCZYUWBNCJE-KBPBESRZSA-N 2 2 236.334 2.093 20 0 BEADLP CC1(C)CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946509 487911445 /nfs/dbraw/zinc/91/14/45/487911445.db2.gz GFNGTYFKOYBBKE-JQWIXIFHSA-N 2 2 228.355 2.245 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946698 487911555 /nfs/dbraw/zinc/91/15/55/487911555.db2.gz MBSSNICJFSAWEI-WOPDTQHZSA-N 2 2 216.344 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000666947979 487912531 /nfs/dbraw/zinc/91/25/31/487912531.db2.gz LZKKVRYDRLKDEI-STQMWFEESA-N 2 2 228.355 2.246 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211716881 487929289 /nfs/dbraw/zinc/92/92/89/487929289.db2.gz VLRMYTAIAZRAQT-IAQYHMDHSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211716881 487929292 /nfs/dbraw/zinc/92/92/92/487929292.db2.gz VLRMYTAIAZRAQT-IAQYHMDHSA-N 2 2 248.345 2.497 20 0 BEADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000258946312 322879984 /nfs/dbraw/zinc/87/99/84/322879984.db2.gz QVFQNHVATNSTES-CQSZACIVSA-N 2 2 232.371 2.453 20 0 BEADLP CC1(C[NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000555525736 322976069 /nfs/dbraw/zinc/97/60/69/322976069.db2.gz LTJKSGJKNVAAQQ-UHFFFAOYSA-N 2 2 229.327 2.267 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000566476334 323000569 /nfs/dbraw/zinc/00/05/69/323000569.db2.gz XQUDJPLVFRVCKS-UHFFFAOYSA-N 2 2 240.297 2.147 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC2(C)C)n1C ZINC000566498656 323003397 /nfs/dbraw/zinc/00/33/97/323003397.db2.gz FMOSSJWZCKOQHF-GFCCVEGCSA-N 2 2 221.348 2.397 20 0 BEADLP CCCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000562744148 323029820 /nfs/dbraw/zinc/02/98/20/323029820.db2.gz UJARYOYINQNUJB-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000562779017 323030421 /nfs/dbraw/zinc/03/04/21/323030421.db2.gz UMUVTTJHUNFYPN-DZGCQCFKSA-N 2 2 247.386 2.464 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000562779017 323030422 /nfs/dbraw/zinc/03/04/22/323030422.db2.gz UMUVTTJHUNFYPN-DZGCQCFKSA-N 2 2 247.386 2.464 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccoc1 ZINC000562962051 323035826 /nfs/dbraw/zinc/03/58/26/323035826.db2.gz VAUOVMRATHSFOS-JQWIXIFHSA-N 2 2 208.305 2.072 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000562962698 323036742 /nfs/dbraw/zinc/03/67/42/323036742.db2.gz OETNOJDGBXTCJB-HTQZYQBOSA-N 2 2 230.714 2.477 20 0 BEADLP Cc1occc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000570808839 323071148 /nfs/dbraw/zinc/07/11/48/323071148.db2.gz NKMUABURHGQYOQ-UHFFFAOYSA-N 2 2 245.326 2.411 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCC12CCC2)[NH+](C)C ZINC000394741073 323097628 /nfs/dbraw/zinc/09/76/28/323097628.db2.gz QVJBXUPEURARPO-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCc2ccccc2)n1C ZINC000563441351 323126747 /nfs/dbraw/zinc/12/67/47/323126747.db2.gz QZJKGNRELUJMCP-UHFFFAOYSA-N 2 2 243.354 2.451 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000310026993 323127450 /nfs/dbraw/zinc/12/74/50/323127450.db2.gz PVFHIYOIFYEVQW-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000310026993 323127451 /nfs/dbraw/zinc/12/74/51/323127451.db2.gz PVFHIYOIFYEVQW-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000571104976 323135682 /nfs/dbraw/zinc/13/56/82/323135682.db2.gz ZEUIJMJKMGZUAL-BETUJISGSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000571104976 323135683 /nfs/dbraw/zinc/13/56/83/323135683.db2.gz ZEUIJMJKMGZUAL-BETUJISGSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991843 323165785 /nfs/dbraw/zinc/16/57/85/323165785.db2.gz AOUXQWDYMQNSMF-QMTHXVAHSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991843 323165786 /nfs/dbraw/zinc/16/57/86/323165786.db2.gz AOUXQWDYMQNSMF-QMTHXVAHSA-N 2 2 234.387 2.247 20 0 BEADLP C(=C\c1ccccc1)\C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000536678172 323200701 /nfs/dbraw/zinc/20/07/01/323200701.db2.gz FCMLUELFEPYRJR-OXUBUWLOSA-N 2 2 242.366 2.384 20 0 BEADLP C(=C\c1ccccc1)\C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000536678172 323200702 /nfs/dbraw/zinc/20/07/02/323200702.db2.gz FCMLUELFEPYRJR-OXUBUWLOSA-N 2 2 242.366 2.384 20 0 BEADLP c1cn2c(cccc2C[NH2+]C2(C3CC3)CC2)[nH+]1 ZINC000536705847 323201593 /nfs/dbraw/zinc/20/15/93/323201593.db2.gz YEMDBBRTGLLUQX-UHFFFAOYSA-N 2 2 227.311 2.367 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(O)c1 ZINC000530219741 323217811 /nfs/dbraw/zinc/21/78/11/323217811.db2.gz MVTLXEKSFVAANX-FZMZJTMJSA-N 2 2 246.354 2.327 20 0 BEADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042544027 323249212 /nfs/dbraw/zinc/24/92/12/323249212.db2.gz XUKGALSPUJRSFG-ZFWWWQNUSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042544027 323249215 /nfs/dbraw/zinc/24/92/15/323249215.db2.gz XUKGALSPUJRSFG-ZFWWWQNUSA-N 2 2 232.371 2.301 20 0 BEADLP c1cn(CCC[NH2+][C@H](C2CC2)C2CCC2)c[nH+]1 ZINC000324991340 323306969 /nfs/dbraw/zinc/30/69/69/323306969.db2.gz VPBODANKRFOXCQ-AWEZNQCLSA-N 2 2 233.359 2.442 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)C ZINC000309217580 323329061 /nfs/dbraw/zinc/32/90/61/323329061.db2.gz UOWZJTVYBWPFGS-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)C ZINC000309217580 323329065 /nfs/dbraw/zinc/32/90/65/323329065.db2.gz UOWZJTVYBWPFGS-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000571992414 323519001 /nfs/dbraw/zinc/51/90/01/323519001.db2.gz UCYCGRKRIBZVOG-CHWSQXEVSA-N 2 2 248.370 2.406 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528396508 324220348 /nfs/dbraw/zinc/22/03/48/324220348.db2.gz IEPCQZHTWCRWDB-QJGQKNTRSA-N 2 2 230.783 2.403 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528396508 324220353 /nfs/dbraw/zinc/22/03/53/324220353.db2.gz IEPCQZHTWCRWDB-QJGQKNTRSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528396508 324220356 /nfs/dbraw/zinc/22/03/56/324220356.db2.gz IEPCQZHTWCRWDB-QJGQKNTRSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528396508 324220359 /nfs/dbraw/zinc/22/03/59/324220359.db2.gz IEPCQZHTWCRWDB-QJGQKNTRSA-N 2 2 230.783 2.403 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC(F)(F)C1 ZINC000529537494 324322397 /nfs/dbraw/zinc/32/23/97/324322397.db2.gz WCGBKSKLJGSHJF-VIFPVBQESA-N 2 2 234.334 2.350 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000529568559 324345101 /nfs/dbraw/zinc/34/51/01/324345101.db2.gz BRKYHBPFUKIQOJ-WFASDCNBSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000529568559 324345104 /nfs/dbraw/zinc/34/51/04/324345104.db2.gz BRKYHBPFUKIQOJ-WFASDCNBSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccn1 ZINC000529568559 324345111 /nfs/dbraw/zinc/34/51/11/324345111.db2.gz BRKYHBPFUKIQOJ-WFASDCNBSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccn1 ZINC000529568559 324345115 /nfs/dbraw/zinc/34/51/15/324345115.db2.gz BRKYHBPFUKIQOJ-WFASDCNBSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CC(F)(F)C1 ZINC000529609841 324364111 /nfs/dbraw/zinc/36/41/11/324364111.db2.gz ALMCCDYVNDONAR-SECBINFHSA-N 2 2 232.318 2.104 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000061984795 324390347 /nfs/dbraw/zinc/39/03/47/324390347.db2.gz RQXHRBHGMZQUAI-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000061984795 324390355 /nfs/dbraw/zinc/39/03/55/324390355.db2.gz RQXHRBHGMZQUAI-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP FC(F)n1cc[nH+]c1Cn1cc[nH+]c1C1CC1 ZINC000530130603 324489962 /nfs/dbraw/zinc/48/99/62/324489962.db2.gz HUPWKCMXKQIRNR-UHFFFAOYSA-N 2 2 238.241 2.400 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cncc(F)c1 ZINC000530216636 324532205 /nfs/dbraw/zinc/53/22/05/324532205.db2.gz CPKKOXXOCUYLQT-GWCFXTLKSA-N 2 2 249.333 2.156 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ncccc1F ZINC000530221496 324540232 /nfs/dbraw/zinc/54/02/32/324540232.db2.gz FBFDUDLYXILONI-QWRGUYRKSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccoc1 ZINC000530226323 324546887 /nfs/dbraw/zinc/54/68/87/324546887.db2.gz ZRQDZYMEQXUDKY-ZYHUDNBSSA-N 2 2 220.316 2.215 20 0 BEADLP Cc1cc(N(C)CCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000540491454 324901569 /nfs/dbraw/zinc/90/15/69/324901569.db2.gz LHTCYPDLHBSBRF-UHFFFAOYSA-N 2 2 248.374 2.050 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000130751083 325084036 /nfs/dbraw/zinc/08/40/36/325084036.db2.gz SALFHTSMIZTBTQ-TUAOUCFPSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000130751083 325084038 /nfs/dbraw/zinc/08/40/38/325084038.db2.gz SALFHTSMIZTBTQ-TUAOUCFPSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131126446 325120180 /nfs/dbraw/zinc/12/01/80/325120180.db2.gz QJJXHGQCOREGDN-ZWNOBZJWSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000131079858 325113016 /nfs/dbraw/zinc/11/30/16/325113016.db2.gz GPDUHXSTQZXIAE-GHMZBOCLSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000131079858 325113018 /nfs/dbraw/zinc/11/30/18/325113018.db2.gz GPDUHXSTQZXIAE-GHMZBOCLSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131126446 325120178 /nfs/dbraw/zinc/12/01/78/325120178.db2.gz QJJXHGQCOREGDN-ZWNOBZJWSA-N 2 2 210.365 2.247 20 0 BEADLP CC1(C)CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000131467977 325154299 /nfs/dbraw/zinc/15/42/99/325154299.db2.gz YAJDPYHRUSBVRI-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC1(C)CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000131467977 325154303 /nfs/dbraw/zinc/15/43/03/325154303.db2.gz YAJDPYHRUSBVRI-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1cc[nH+]c(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000134072136 325340881 /nfs/dbraw/zinc/34/08/81/325340881.db2.gz OLTRQHFVRVDGQD-SNVBAGLBSA-N 2 2 216.288 2.297 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC[C@@H]1C1CC1)CCCC2 ZINC000554095591 325706296 /nfs/dbraw/zinc/70/62/96/325706296.db2.gz QVRZDGKOXAYKPE-KGLIPLIRSA-N 2 2 245.370 2.498 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@H]1C1CC1)CCCC2 ZINC000554095593 325706300 /nfs/dbraw/zinc/70/63/00/325706300.db2.gz QVRZDGKOXAYKPE-UONOGXRCSA-N 2 2 245.370 2.498 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC13CC3)C2 ZINC000566500645 326059668 /nfs/dbraw/zinc/05/96/68/326059668.db2.gz KSJZDSBQAJNVAC-ZWNOBZJWSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000566500645 326059671 /nfs/dbraw/zinc/05/96/71/326059671.db2.gz KSJZDSBQAJNVAC-ZWNOBZJWSA-N 2 2 231.343 2.189 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)s1 ZINC000566902220 326092307 /nfs/dbraw/zinc/09/23/07/326092307.db2.gz CEMUPBGWPFYOGQ-RNCFNFMXSA-N 2 2 238.400 2.453 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000154294210 326138660 /nfs/dbraw/zinc/13/86/60/326138660.db2.gz CJKZYYYVKLFKEJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000154294210 326138661 /nfs/dbraw/zinc/13/86/61/326138661.db2.gz CJKZYYYVKLFKEJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)nc1 ZINC000154294210 326138662 /nfs/dbraw/zinc/13/86/62/326138662.db2.gz CJKZYYYVKLFKEJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)nc1 ZINC000154294210 326138663 /nfs/dbraw/zinc/13/86/63/326138663.db2.gz CJKZYYYVKLFKEJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC(C)(C)C ZINC000313304729 326262330 /nfs/dbraw/zinc/26/23/30/326262330.db2.gz RRDQJPNDLKHWQX-CHWSQXEVSA-N 2 2 242.407 2.169 20 0 BEADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1(C)C ZINC000568494724 326359295 /nfs/dbraw/zinc/35/92/95/326359295.db2.gz AVVSNJBDOGNIIF-YNEHKIRRSA-N 2 2 242.407 2.118 20 0 BEADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000568499566 326359851 /nfs/dbraw/zinc/35/98/51/326359851.db2.gz XDHDGMGYEVPLAV-CHWSQXEVSA-N 2 2 249.358 2.302 20 0 BEADLP CC[NH+](CC)[C@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000568651141 326371386 /nfs/dbraw/zinc/37/13/86/326371386.db2.gz KLFZJOYVUWFUIL-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2cccs2)n1C ZINC000569001654 326386123 /nfs/dbraw/zinc/38/61/23/326386123.db2.gz HEUSGNJQVCPROT-UHFFFAOYSA-N 2 2 221.329 2.080 20 0 BEADLP CC(C)=CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166093319 326428064 /nfs/dbraw/zinc/42/80/64/326428064.db2.gz GQBUQUKTVDBBEE-UHFFFAOYSA-N 2 2 245.370 2.478 20 0 BEADLP CC[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1C ZINC000677152182 487984825 /nfs/dbraw/zinc/98/48/25/487984825.db2.gz JSOVTNQHMZVILT-SNVBAGLBSA-N 2 2 239.750 2.265 20 0 BEADLP CC[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1C ZINC000677152182 487984828 /nfs/dbraw/zinc/98/48/28/487984828.db2.gz JSOVTNQHMZVILT-SNVBAGLBSA-N 2 2 239.750 2.265 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194976 488006496 /nfs/dbraw/zinc/00/64/96/488006496.db2.gz FSFJUUFZXARXAE-YPMHNXCESA-N 2 2 233.359 2.498 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194975 488006525 /nfs/dbraw/zinc/00/65/25/488006525.db2.gz FSFJUUFZXARXAE-WCQYABFASA-N 2 2 233.359 2.498 20 0 BEADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)CC1CC1 ZINC000667462342 488014877 /nfs/dbraw/zinc/01/48/77/488014877.db2.gz FNULICIHXKMVTN-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)CC1CC1 ZINC000667462342 488014880 /nfs/dbraw/zinc/01/48/80/488014880.db2.gz FNULICIHXKMVTN-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccs2)n1C ZINC000667475404 488020361 /nfs/dbraw/zinc/02/03/61/488020361.db2.gz OUMUKUACXQUVPU-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccs2)n1C ZINC000667475404 488020363 /nfs/dbraw/zinc/02/03/63/488020363.db2.gz OUMUKUACXQUVPU-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)CCC(C)C)n1C ZINC000667499474 488029808 /nfs/dbraw/zinc/02/98/08/488029808.db2.gz LBYSOGCTWGFFMB-UHFFFAOYSA-N 2 2 209.337 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)CCC(C)C)n1C ZINC000667499474 488029815 /nfs/dbraw/zinc/02/98/15/488029815.db2.gz LBYSOGCTWGFFMB-UHFFFAOYSA-N 2 2 209.337 2.206 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)O1 ZINC000682758641 488029849 /nfs/dbraw/zinc/02/98/49/488029849.db2.gz DDXMDOMMNQQWQT-RDBSUJKOSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)O1 ZINC000682758641 488029856 /nfs/dbraw/zinc/02/98/56/488029856.db2.gz DDXMDOMMNQQWQT-RDBSUJKOSA-N 2 2 249.358 2.088 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)C(C)C)n1C ZINC000667499953 488030224 /nfs/dbraw/zinc/03/02/24/488030224.db2.gz ZAAOLARIZUXASL-SNVBAGLBSA-N 2 2 209.337 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)C(C)C)n1C ZINC000667499953 488030228 /nfs/dbraw/zinc/03/02/28/488030228.db2.gz ZAAOLARIZUXASL-SNVBAGLBSA-N 2 2 209.337 2.205 20 0 BEADLP Cn1cc[nH+]c1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000236079652 488039681 /nfs/dbraw/zinc/03/96/81/488039681.db2.gz NYWIXNNWBVMEJQ-GFCCVEGCSA-N 2 2 213.284 2.033 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667561175 488046458 /nfs/dbraw/zinc/04/64/58/488046458.db2.gz NVAVRDAKBYIOCK-LBPRGKRZSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667561175 488046462 /nfs/dbraw/zinc/04/64/62/488046462.db2.gz NVAVRDAKBYIOCK-LBPRGKRZSA-N 2 2 233.359 2.451 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)n1C ZINC000667568140 488050193 /nfs/dbraw/zinc/05/01/93/488050193.db2.gz UVOYYBLFNHXLKF-QWRGUYRKSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)n1C ZINC000667568140 488050196 /nfs/dbraw/zinc/05/01/96/488050196.db2.gz UVOYYBLFNHXLKF-QWRGUYRKSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1c[nH+]c(C)nc1NCC[N@@H+](C)C1CCCC1 ZINC000656120042 488052737 /nfs/dbraw/zinc/05/27/37/488052737.db2.gz WKWGNAACBMFDAQ-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1c[nH+]c(C)nc1NCC[N@H+](C)C1CCCC1 ZINC000656120042 488052741 /nfs/dbraw/zinc/05/27/41/488052741.db2.gz WKWGNAACBMFDAQ-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)CCC2 ZINC000667642911 488067609 /nfs/dbraw/zinc/06/76/09/488067609.db2.gz NZYLVVWSDUDSJF-TXEJJXNPSA-N 2 2 231.343 2.061 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1C[C@@H]3CCC[C@@H]3C1)CCC2 ZINC000667642911 488067614 /nfs/dbraw/zinc/06/76/14/488067614.db2.gz NZYLVVWSDUDSJF-TXEJJXNPSA-N 2 2 231.343 2.061 20 0 BEADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000667649176 488071065 /nfs/dbraw/zinc/07/10/65/488071065.db2.gz KWVTZFPKIQXMNX-NWDGAFQWSA-N 2 2 233.359 2.307 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000667649176 488071069 /nfs/dbraw/zinc/07/10/69/488071069.db2.gz KWVTZFPKIQXMNX-NWDGAFQWSA-N 2 2 233.359 2.307 20 0 BEADLP Cc1ccnc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000683010615 488090347 /nfs/dbraw/zinc/09/03/47/488090347.db2.gz CIFDNNGOQCENOW-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccnc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000683010615 488090351 /nfs/dbraw/zinc/09/03/51/488090351.db2.gz CIFDNNGOQCENOW-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000382263555 487536789 /nfs/dbraw/zinc/53/67/89/487536789.db2.gz XMYZQKKJJAUTMP-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000382263555 487536793 /nfs/dbraw/zinc/53/67/93/487536793.db2.gz XMYZQKKJJAUTMP-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)C1CC1 ZINC000378959788 488113594 /nfs/dbraw/zinc/11/35/94/488113594.db2.gz PGLQBNDWVQBBJV-XCCSTKFXSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)C1CC1 ZINC000378959788 488113598 /nfs/dbraw/zinc/11/35/98/488113598.db2.gz PGLQBNDWVQBBJV-XCCSTKFXSA-N 2 2 222.376 2.247 20 0 BEADLP CCc1ccc(C[NH2+][C@@H](C)C[NH2+]C)s1 ZINC000162113728 487539144 /nfs/dbraw/zinc/53/91/44/487539144.db2.gz YFAXEOCEKNNATD-VIFPVBQESA-N 2 2 212.362 2.008 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000162146072 487540728 /nfs/dbraw/zinc/54/07/28/487540728.db2.gz GNYPXMPPMHEUOV-SSDOTTSWSA-N 2 2 218.753 2.099 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000162142556 487540758 /nfs/dbraw/zinc/54/07/58/487540758.db2.gz WXZKLEUMLOARJR-QMMMGPOBSA-N 2 2 230.714 2.177 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)n1C ZINC000668243179 487541557 /nfs/dbraw/zinc/54/15/57/487541557.db2.gz VCYGJFZMKMNKHS-HBNTYKKESA-N 2 2 221.348 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)n1C ZINC000668243179 487541559 /nfs/dbraw/zinc/54/15/59/487541559.db2.gz VCYGJFZMKMNKHS-HBNTYKKESA-N 2 2 221.348 2.205 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(OC(F)F)cc1 ZINC000231819743 487477220 /nfs/dbraw/zinc/47/72/20/487477220.db2.gz BENQFKVQZSEHLT-UHFFFAOYSA-N 2 2 244.285 2.069 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(OC(F)F)cc1 ZINC000231819743 487477224 /nfs/dbraw/zinc/47/72/24/487477224.db2.gz BENQFKVQZSEHLT-UHFFFAOYSA-N 2 2 244.285 2.069 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000231819709 487477662 /nfs/dbraw/zinc/47/76/62/487477662.db2.gz XLQHDGBUPYDFRG-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000231819709 487477666 /nfs/dbraw/zinc/47/76/66/487477666.db2.gz XLQHDGBUPYDFRG-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP Cc1cc[nH+]c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000675286768 487480929 /nfs/dbraw/zinc/48/09/29/487480929.db2.gz GXADHHGLYRJECD-ZDUSSCGKSA-N 2 2 242.326 2.428 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC(C3CCCC3)C2)n1C ZINC000668232404 487500110 /nfs/dbraw/zinc/50/01/10/487500110.db2.gz PIZJHPJHBBIFDO-UHFFFAOYSA-N 2 2 233.359 2.351 20 0 BEADLP c1[nH+]c2n(c1C[NH+]1CC(C3CCCC3)C1)CCC2 ZINC000668232347 487501214 /nfs/dbraw/zinc/50/12/14/487501214.db2.gz NDQTTWXDKGGMAR-UHFFFAOYSA-N 2 2 245.370 2.451 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000324056089 487506443 /nfs/dbraw/zinc/50/64/43/487506443.db2.gz ZFFAEXHCYFDMHU-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000324056089 487506446 /nfs/dbraw/zinc/50/64/46/487506446.db2.gz ZFFAEXHCYFDMHU-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094080441 487512346 /nfs/dbraw/zinc/51/23/46/487512346.db2.gz GHOSCVHLOQFEPG-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@H]1CC[C@@]2(CC[N@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517977 487520659 /nfs/dbraw/zinc/52/06/59/487520659.db2.gz NTDNPIRXEMTCEY-DZGCQCFKSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@H]1CC[C@@]2(CC[N@@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517977 487520665 /nfs/dbraw/zinc/52/06/65/487520665.db2.gz NTDNPIRXEMTCEY-DZGCQCFKSA-N 2 2 247.386 2.475 20 0 BEADLP CCn1c2ccccc2[nH+]c1NCc1[nH]cc[nH+]1 ZINC000680851192 487658681 /nfs/dbraw/zinc/65/86/81/487658681.db2.gz CDWXGSMVGKCTIV-UHFFFAOYSA-N 2 2 241.298 2.391 20 0 BEADLP Cc1cccc(N2CCC[C@@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000681208981 487748255 /nfs/dbraw/zinc/74/82/55/487748255.db2.gz QAKVYKRYODMJJX-CYBMUJFWSA-N 2 2 242.326 2.428 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1nccc2ccccc21 ZINC000666720067 487865285 /nfs/dbraw/zinc/86/52/85/487865285.db2.gz MRQCMYVGYOCMJH-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1nccc2ccccc21 ZINC000666720067 487865292 /nfs/dbraw/zinc/86/52/92/487865292.db2.gz MRQCMYVGYOCMJH-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657863541 488155911 /nfs/dbraw/zinc/15/59/11/488155911.db2.gz HGNRTCPZGZILEU-UHFFFAOYSA-N 2 2 234.334 2.004 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657863541 488155915 /nfs/dbraw/zinc/15/59/15/488155915.db2.gz HGNRTCPZGZILEU-UHFFFAOYSA-N 2 2 234.334 2.004 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)CCC1 ZINC000683227943 488135111 /nfs/dbraw/zinc/13/51/11/488135111.db2.gz GXTOITMTUOBAKR-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000683227943 488135113 /nfs/dbraw/zinc/13/51/13/488135113.db2.gz GXTOITMTUOBAKR-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP Fc1cccc([C@H]2CC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000677984786 488169637 /nfs/dbraw/zinc/16/96/37/488169637.db2.gz PWQRLQFFJUNJLH-CQSZACIVSA-N 2 2 245.301 2.469 20 0 BEADLP Fc1cccc([C@H]2CC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000677984786 488169644 /nfs/dbraw/zinc/16/96/44/488169644.db2.gz PWQRLQFFJUNJLH-CQSZACIVSA-N 2 2 245.301 2.469 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccncc2)n1C ZINC000667975971 488172601 /nfs/dbraw/zinc/17/26/01/488172601.db2.gz CCOQAZGBABYRJO-NSHDSACASA-N 2 2 244.342 2.317 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccncc2)n1C ZINC000667975971 488172605 /nfs/dbraw/zinc/17/26/05/488172605.db2.gz CCOQAZGBABYRJO-NSHDSACASA-N 2 2 244.342 2.317 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC(F)(F)C1 ZINC000653778165 488178112 /nfs/dbraw/zinc/17/81/12/488178112.db2.gz IEBZLEAISGLZHA-UHFFFAOYSA-N 2 2 243.301 2.084 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC(F)(F)C1 ZINC000653778165 488178120 /nfs/dbraw/zinc/17/81/20/488178120.db2.gz IEBZLEAISGLZHA-UHFFFAOYSA-N 2 2 243.301 2.084 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000310252924 488183649 /nfs/dbraw/zinc/18/36/49/488183649.db2.gz DXUBXKTZFPIPTI-NHYWBVRUSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1C1CC1 ZINC000310252924 488183653 /nfs/dbraw/zinc/18/36/53/488183653.db2.gz DXUBXKTZFPIPTI-NHYWBVRUSA-N 2 2 230.355 2.486 20 0 BEADLP FC1(F)CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000259672457 488185570 /nfs/dbraw/zinc/18/55/70/488185570.db2.gz YNQVSJAATCLIKY-LLVKDONJSA-N 2 2 232.318 2.107 20 0 BEADLP FC1(F)CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000259672457 488185574 /nfs/dbraw/zinc/18/55/74/488185574.db2.gz YNQVSJAATCLIKY-LLVKDONJSA-N 2 2 232.318 2.107 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H]3CCC[C@H]31)CCC2 ZINC000668013284 488186187 /nfs/dbraw/zinc/18/61/87/488186187.db2.gz UMIJCZRSOWWCAV-WCQYABFASA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H]3CCC[C@H]31)CCC2 ZINC000668013284 488186190 /nfs/dbraw/zinc/18/61/90/488186190.db2.gz UMIJCZRSOWWCAV-WCQYABFASA-N 2 2 231.343 2.204 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000678073511 488192029 /nfs/dbraw/zinc/19/20/29/488192029.db2.gz WBXDBVCPDKMBCZ-HRCADAONSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000678073511 488192032 /nfs/dbraw/zinc/19/20/32/488192032.db2.gz WBXDBVCPDKMBCZ-HRCADAONSA-N 2 2 244.382 2.474 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCS[C@H](C)CC2)n1C ZINC000668061482 488196617 /nfs/dbraw/zinc/19/66/17/488196617.db2.gz JDRHKIKSQSLGAN-SNVBAGLBSA-N 2 2 239.388 2.056 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(O)cc2)n1C ZINC000668168433 488213317 /nfs/dbraw/zinc/21/33/17/488213317.db2.gz XOSXRRMCKGPARV-UHFFFAOYSA-N 2 2 245.326 2.066 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(O)cc2)n1C ZINC000668168433 488213321 /nfs/dbraw/zinc/21/33/21/488213321.db2.gz XOSXRRMCKGPARV-UHFFFAOYSA-N 2 2 245.326 2.066 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H](C3CC3)C1)CCC2 ZINC000668174982 488214819 /nfs/dbraw/zinc/21/48/19/488214819.db2.gz GOORHBMQALFCIP-CYBMUJFWSA-N 2 2 245.370 2.451 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H](C3CC3)C1)CCC2 ZINC000668174982 488214823 /nfs/dbraw/zinc/21/48/23/488214823.db2.gz GOORHBMQALFCIP-CYBMUJFWSA-N 2 2 245.370 2.451 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)n1C ZINC000668215530 488229262 /nfs/dbraw/zinc/22/92/62/488229262.db2.gz GAAMITIYGOZEMF-BETUJISGSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)n1C ZINC000668215530 488229263 /nfs/dbraw/zinc/22/92/63/488229263.db2.gz GAAMITIYGOZEMF-BETUJISGSA-N 2 2 233.359 2.351 20 0 BEADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC[NH+](C)C ZINC000672616521 488261794 /nfs/dbraw/zinc/26/17/94/488261794.db2.gz DIXUXTCDLUASPD-DOMZBBRYSA-N 2 2 232.371 2.461 20 0 BEADLP Cc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)[nH]n1 ZINC000684386084 488303648 /nfs/dbraw/zinc/30/36/48/488303648.db2.gz MPBDDNHZAKZTRA-UHFFFAOYSA-N 2 2 244.342 2.144 20 0 BEADLP CC[C@@]1([NH2+]CCCc2ccc(C)[nH+]c2)CCOC1 ZINC000684405723 488306650 /nfs/dbraw/zinc/30/66/50/488306650.db2.gz YZPGSDHGRNYCKS-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP C[C@H](CCCCO)[NH2+]CC[NH+]1CCCCCC1 ZINC000679331467 488340549 /nfs/dbraw/zinc/34/05/49/488340549.db2.gz MAQVZWSXPXEOCP-CQSZACIVSA-N 2 2 242.407 2.003 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070327245 490208979 /nfs/dbraw/zinc/20/89/79/490208979.db2.gz XJZJVJRVOZDRKK-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000578617388 490224310 /nfs/dbraw/zinc/22/43/10/490224310.db2.gz KXHZHTYZHWRYCS-ABAIWWIYSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1[nH+]c2c(n1Cc1ccc[nH+]c1N)CCCC2 ZINC000216936175 490417317 /nfs/dbraw/zinc/41/73/17/490417317.db2.gz TYKCDLGNMGXOAB-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP Cc1cc[nH+]c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000125247747 490421769 /nfs/dbraw/zinc/42/17/69/490421769.db2.gz YBLPLCDFRWLUED-SECBINFHSA-N 2 2 202.261 2.286 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000300061148 490550122 /nfs/dbraw/zinc/55/01/22/490550122.db2.gz HVJJZBQXKZQDDK-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000300061148 490550124 /nfs/dbraw/zinc/55/01/24/490550124.db2.gz HVJJZBQXKZQDDK-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP COc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000259094885 491102024 /nfs/dbraw/zinc/10/20/24/491102024.db2.gz RXKSMRXTOZJKSI-CHWSQXEVSA-N 2 2 234.343 2.055 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000215830969 491121535 /nfs/dbraw/zinc/12/15/35/491121535.db2.gz QKDMRMPFRYALCX-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000215830969 491121536 /nfs/dbraw/zinc/12/15/36/491121536.db2.gz QKDMRMPFRYALCX-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000090015016 491122500 /nfs/dbraw/zinc/12/25/00/491122500.db2.gz GTQWEKSTRKMONQ-OAHLLOKOSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000090015016 491122501 /nfs/dbraw/zinc/12/25/01/491122501.db2.gz GTQWEKSTRKMONQ-OAHLLOKOSA-N 2 2 244.382 2.364 20 0 BEADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538699 491127286 /nfs/dbraw/zinc/12/72/86/491127286.db2.gz AJAZHAXIQWLOSX-HIFRSBDPSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538699 491127287 /nfs/dbraw/zinc/12/72/87/491127287.db2.gz AJAZHAXIQWLOSX-HIFRSBDPSA-N 2 2 236.403 2.472 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC[NH+]1CCCC1 ZINC000132176348 491134614 /nfs/dbraw/zinc/13/46/14/491134614.db2.gz IPQWAPLHAABSBQ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000132178652 491134634 /nfs/dbraw/zinc/13/46/34/491134634.db2.gz PIFKAOWPQAVEJR-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000309402344 491148719 /nfs/dbraw/zinc/14/87/19/491148719.db2.gz WNSJNETWQICULV-FPMFFAJLSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000488300743 533720798 /nfs/dbraw/zinc/72/07/98/533720798.db2.gz SEXMOLUIHIVARY-AAVRWANBSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000488300743 533720803 /nfs/dbraw/zinc/72/08/03/533720803.db2.gz SEXMOLUIHIVARY-AAVRWANBSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000488357532 534021832 /nfs/dbraw/zinc/02/18/32/534021832.db2.gz PCMDBXAMZQLEMN-RDBSUJKOSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000488357532 534021836 /nfs/dbraw/zinc/02/18/36/534021836.db2.gz PCMDBXAMZQLEMN-RDBSUJKOSA-N 2 2 222.376 2.203 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)C[C@@H](C)O ZINC000348704948 535728756 /nfs/dbraw/zinc/72/87/56/535728756.db2.gz FVNOXRZAXGBZNF-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)C[C@@H](C)O ZINC000348704948 535728760 /nfs/dbraw/zinc/72/87/60/535728760.db2.gz FVNOXRZAXGBZNF-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)O1 ZINC000308616195 534170782 /nfs/dbraw/zinc/17/07/82/534170782.db2.gz VBTYKWOMRZAHBQ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccco2)CC1 ZINC000336193698 536137761 /nfs/dbraw/zinc/13/77/61/536137761.db2.gz SEYLVRAOIHUDEY-LBPRGKRZSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccco2)CC1 ZINC000336193698 536137763 /nfs/dbraw/zinc/13/77/63/536137763.db2.gz SEYLVRAOIHUDEY-LBPRGKRZSA-N 2 2 222.332 2.196 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000393609134 582819465 /nfs/dbraw/zinc/81/94/65/582819465.db2.gz RIGYZBKEAKKMLA-JFGNBEQYSA-N 2 2 224.373 2.349 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000393609134 582819467 /nfs/dbraw/zinc/81/94/67/582819467.db2.gz RIGYZBKEAKKMLA-JFGNBEQYSA-N 2 2 224.373 2.349 20 0 BEADLP CCOC[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000494227027 528977774 /nfs/dbraw/zinc/97/77/74/528977774.db2.gz LSGXYOIZKFEHEH-LBPRGKRZSA-N 2 2 247.342 2.157 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000486958225 529055553 /nfs/dbraw/zinc/05/55/53/529055553.db2.gz QVSSECLOEZNCHL-SJDLMVEWSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000486958225 529055558 /nfs/dbraw/zinc/05/55/58/529055558.db2.gz QVSSECLOEZNCHL-SJDLMVEWSA-N 2 2 245.370 2.169 20 0 BEADLP CCCC[C@H](CC)[NH2+][C@H](C)C[NH+](C)C ZINC000130227588 535014447 /nfs/dbraw/zinc/01/44/47/535014447.db2.gz RLXUYAHRLHHHNQ-NEPJUHHUSA-N 2 2 200.370 2.495 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nccs1 ZINC000086814858 535195316 /nfs/dbraw/zinc/19/53/16/535195316.db2.gz GJQAPCNQFCJEQG-SECBINFHSA-N 2 2 227.377 2.311 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCOCC1 ZINC000086873263 535305256 /nfs/dbraw/zinc/30/52/56/535305256.db2.gz NJMYEZHIVSQXMW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000087769341 535541538 /nfs/dbraw/zinc/54/15/38/535541538.db2.gz IJVLSYXYIKWIEV-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C[C@@H](C)O ZINC000348713499 535725902 /nfs/dbraw/zinc/72/59/02/535725902.db2.gz LADWUJLSNWEKIV-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@@H](C)O ZINC000348713499 535725908 /nfs/dbraw/zinc/72/59/08/535725908.db2.gz LADWUJLSNWEKIV-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000262002262 536155755 /nfs/dbraw/zinc/15/57/55/536155755.db2.gz UFJUKGZMOAITDX-CQSZACIVSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000262002262 536155757 /nfs/dbraw/zinc/15/57/57/536155757.db2.gz UFJUKGZMOAITDX-CQSZACIVSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000261988412 536156695 /nfs/dbraw/zinc/15/66/95/536156695.db2.gz SAJFMTMCXMPTFC-CQSZACIVSA-N 2 2 248.370 2.181 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000261988412 536156699 /nfs/dbraw/zinc/15/66/99/536156699.db2.gz SAJFMTMCXMPTFC-CQSZACIVSA-N 2 2 248.370 2.181 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000853249528 588729240 /nfs/dbraw/zinc/72/92/40/588729240.db2.gz QWXBHWGTHNXSSI-BXUZGUMPSA-N 2 2 246.354 2.024 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728709 588769504 /nfs/dbraw/zinc/76/95/04/588769504.db2.gz VDFOENSJPOCRFX-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728709 588769505 /nfs/dbraw/zinc/76/95/05/588769505.db2.gz VDFOENSJPOCRFX-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)c1 ZINC000854233268 588781553 /nfs/dbraw/zinc/78/15/53/588781553.db2.gz XMFYKEDXSWZRIW-RYUDHWBXSA-N 2 2 236.359 2.344 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000393609135 582819760 /nfs/dbraw/zinc/81/97/60/582819760.db2.gz RIGYZBKEAKKMLA-NHCYSSNCSA-N 2 2 224.373 2.349 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000393609135 582819762 /nfs/dbraw/zinc/81/97/62/582819762.db2.gz RIGYZBKEAKKMLA-NHCYSSNCSA-N 2 2 224.373 2.349 20 0 BEADLP Cc1oncc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000782488227 582909459 /nfs/dbraw/zinc/90/94/59/582909459.db2.gz ACTWLTXKOFGMLN-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1oncc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000782488227 582909460 /nfs/dbraw/zinc/90/94/60/582909460.db2.gz ACTWLTXKOFGMLN-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP CCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000892567641 582915454 /nfs/dbraw/zinc/91/54/54/582915454.db2.gz UGVNYJFKPDGSJW-LLVKDONJSA-N 2 2 249.314 2.053 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(O)cc1 ZINC000397516031 583101249 /nfs/dbraw/zinc/10/12/49/583101249.db2.gz AQIWFPMXEGXIBZ-UHFFFAOYSA-N 2 2 242.322 2.428 20 0 BEADLP C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)[NH+](C)C ZINC000893344510 583115146 /nfs/dbraw/zinc/11/51/46/583115146.db2.gz OOFHBCWETDRNHA-JTQLQIEISA-N 2 2 242.313 2.047 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000894240464 583387467 /nfs/dbraw/zinc/38/74/67/583387467.db2.gz SUJHPECIYYKIOQ-ZDUSSCGKSA-N 2 2 231.274 2.326 20 0 BEADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCCO1 ZINC000894331600 583425083 /nfs/dbraw/zinc/42/50/83/583425083.db2.gz HMQHBUYLSFZDEY-GFCCVEGCSA-N 2 2 237.347 2.095 20 0 BEADLP CCC(CC)[C@@H](CC[NH2+]Cc1c[nH+]c[nH]1)OC ZINC000894359592 583436324 /nfs/dbraw/zinc/43/63/24/583436324.db2.gz RONWBHHMFSCBFB-CYBMUJFWSA-N 2 2 239.363 2.341 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000894421563 583454816 /nfs/dbraw/zinc/45/48/16/583454816.db2.gz WRVGRDNPUQKSOC-CMPLNLGQSA-N 2 2 237.322 2.152 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000894421563 583454820 /nfs/dbraw/zinc/45/48/20/583454820.db2.gz WRVGRDNPUQKSOC-CMPLNLGQSA-N 2 2 237.322 2.152 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH+]1CCC(F)(F)CC1 ZINC000894630299 583496874 /nfs/dbraw/zinc/49/68/74/583496874.db2.gz QWFXZLSPDZTXIW-UHFFFAOYSA-N 2 2 241.285 2.203 20 0 BEADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000894685044 583507182 /nfs/dbraw/zinc/50/71/82/583507182.db2.gz UPHSYZVMXKJWOC-ZSBIGDGJSA-N 2 2 237.347 2.093 20 0 BEADLP CSc1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000894762436 583518600 /nfs/dbraw/zinc/51/86/00/583518600.db2.gz GFSZCJKFIRBUTG-UHFFFAOYSA-N 2 2 242.388 2.385 20 0 BEADLP CSc1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000894762436 583518603 /nfs/dbraw/zinc/51/86/03/583518603.db2.gz GFSZCJKFIRBUTG-UHFFFAOYSA-N 2 2 242.388 2.385 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000894779350 583519507 /nfs/dbraw/zinc/51/95/07/583519507.db2.gz GRMPNKCNAVIUHN-LBPRGKRZSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1[nH+]cnc(N2CCC(C)([NH+](C)C)CC2)c1C ZINC000894848258 583531704 /nfs/dbraw/zinc/53/17/04/583531704.db2.gz KBSQHNCLMFBPDI-UHFFFAOYSA-N 2 2 248.374 2.014 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000894862212 583535633 /nfs/dbraw/zinc/53/56/33/583535633.db2.gz UFUOLHPSCLFPOX-RYUDHWBXSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000894862212 583535635 /nfs/dbraw/zinc/53/56/35/583535635.db2.gz UFUOLHPSCLFPOX-RYUDHWBXSA-N 2 2 242.326 2.108 20 0 BEADLP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894882612 583544734 /nfs/dbraw/zinc/54/47/34/583544734.db2.gz ISEWNGAOMREOQP-MNOVXSKESA-N 2 2 207.321 2.326 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000894954462 583559872 /nfs/dbraw/zinc/55/98/72/583559872.db2.gz LDGAPSMSSJMJLH-AWEZNQCLSA-N 2 2 244.382 2.400 20 0 BEADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000895134241 583602151 /nfs/dbraw/zinc/60/21/51/583602151.db2.gz AZCZVHBDHNXNPD-GXSJLCMTSA-N 2 2 207.321 2.324 20 0 BEADLP CCC(O)(CC)C(C)(C)C[NH2+]Cc1c[nH+]c[nH]1 ZINC000895235025 583629561 /nfs/dbraw/zinc/62/95/61/583629561.db2.gz HWVFJTJLVFKFAT-UHFFFAOYSA-N 2 2 239.363 2.077 20 0 BEADLP Cc1cc[nH+]c(NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000895465974 583678720 /nfs/dbraw/zinc/67/87/20/583678720.db2.gz OIXRVCWFYKWCGP-UHFFFAOYSA-N 2 2 242.326 2.463 20 0 BEADLP CO[C@H]1C[C@H](C[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000895540159 583687955 /nfs/dbraw/zinc/68/79/55/583687955.db2.gz TWWCVTRSLGCPAZ-CTYIDZIISA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H]1[C@@H](Nc2cc[nH+]c3ccsc32)CC[N@@H+]1C ZINC000895738478 583719449 /nfs/dbraw/zinc/71/94/49/583719449.db2.gz WOZBNMYDNOAYEA-UWVGGRQHSA-N 2 2 247.367 2.223 20 0 BEADLP C[C@H]1[C@@H](Nc2cc[nH+]c3ccsc32)CC[N@H+]1C ZINC000895738478 583719450 /nfs/dbraw/zinc/71/94/50/583719450.db2.gz WOZBNMYDNOAYEA-UWVGGRQHSA-N 2 2 247.367 2.223 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@H+]2C)nc(C2CCC2)[nH+]1 ZINC000895768330 583723581 /nfs/dbraw/zinc/72/35/81/583723581.db2.gz XJAVFALWWCIPFS-LBPRGKRZSA-N 2 2 246.358 2.169 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@@H+]2C)nc(C2CCC2)[nH+]1 ZINC000895768330 583723583 /nfs/dbraw/zinc/72/35/83/583723583.db2.gz XJAVFALWWCIPFS-LBPRGKRZSA-N 2 2 246.358 2.169 20 0 BEADLP FC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000896195698 583782639 /nfs/dbraw/zinc/78/26/39/583782639.db2.gz OESQHECTZPBVDB-UHFFFAOYSA-N 2 2 249.333 2.460 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000896298427 583789827 /nfs/dbraw/zinc/78/98/27/583789827.db2.gz JOKQNMULIREBDP-BYCMXARLSA-N 2 2 245.370 2.426 20 0 BEADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000897437384 583979939 /nfs/dbraw/zinc/97/99/39/583979939.db2.gz KJUUDQBORGOBJS-UHFFFAOYSA-N 2 2 233.359 2.355 20 0 BEADLP CCCc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000729682619 584022388 /nfs/dbraw/zinc/02/23/88/584022388.db2.gz WXRQKQWABFHTNH-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000729682619 584022389 /nfs/dbraw/zinc/02/23/89/584022389.db2.gz WXRQKQWABFHTNH-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897955132 584065275 /nfs/dbraw/zinc/06/52/75/584065275.db2.gz PUCYQDXABPRKTC-BJBXXJATSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897955132 584065278 /nfs/dbraw/zinc/06/52/78/584065278.db2.gz PUCYQDXABPRKTC-BJBXXJATSA-N 2 2 234.387 2.247 20 0 BEADLP CSC1CC([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC000898031569 584077180 /nfs/dbraw/zinc/07/71/80/584077180.db2.gz IZPPQAORLUPLGT-UHFFFAOYSA-N 2 2 242.432 2.202 20 0 BEADLP CSC1CC([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC000898031569 584077181 /nfs/dbraw/zinc/07/71/81/584077181.db2.gz IZPPQAORLUPLGT-UHFFFAOYSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034121 584077905 /nfs/dbraw/zinc/07/79/05/584077905.db2.gz IMBYVRMYFFEPPD-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034121 584077906 /nfs/dbraw/zinc/07/79/06/584077906.db2.gz IMBYVRMYFFEPPD-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034180 584078188 /nfs/dbraw/zinc/07/81/88/584078188.db2.gz KBFOJMPORPVGHP-NWDGAFQWSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034180 584078189 /nfs/dbraw/zinc/07/81/89/584078189.db2.gz KBFOJMPORPVGHP-NWDGAFQWSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)CS1 ZINC000898033755 584078577 /nfs/dbraw/zinc/07/85/77/584078577.db2.gz BHSVRVBXHSOKLM-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)CS1 ZINC000898033755 584078578 /nfs/dbraw/zinc/07/85/78/584078578.db2.gz BHSVRVBXHSOKLM-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000898034867 584079451 /nfs/dbraw/zinc/07/94/51/584079451.db2.gz ZKOCNOLQJZTKND-ZIAGYGMSSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000898034867 584079452 /nfs/dbraw/zinc/07/94/52/584079452.db2.gz ZKOCNOLQJZTKND-ZIAGYGMSSA-N 2 2 236.403 2.497 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccn1 ZINC000898308628 584109897 /nfs/dbraw/zinc/10/98/97/584109897.db2.gz BTZAQIVKGXEGMR-UHFFFAOYSA-N 2 2 235.375 2.101 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccn1 ZINC000898308628 584109898 /nfs/dbraw/zinc/10/98/98/584109898.db2.gz BTZAQIVKGXEGMR-UHFFFAOYSA-N 2 2 235.375 2.101 20 0 BEADLP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000902412491 584576183 /nfs/dbraw/zinc/57/61/83/584576183.db2.gz BDCKHLCCKYSDCI-GFCCVEGCSA-N 2 2 238.281 2.033 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(F)F ZINC000902401698 584587409 /nfs/dbraw/zinc/58/74/09/584587409.db2.gz BJRWNKHYIZYMCQ-DTWKUNHWSA-N 2 2 220.307 2.008 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434339 584595899 /nfs/dbraw/zinc/59/58/99/584595899.db2.gz NMDJJZNHUXHBSA-JUDXGUMMSA-N 2 2 230.355 2.389 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902442057 584597760 /nfs/dbraw/zinc/59/77/60/584597760.db2.gz HYTXUCYEXJJAIV-AAEUAGOBSA-N 2 2 233.359 2.039 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)c(C)o1 ZINC000902413079 584599476 /nfs/dbraw/zinc/59/94/76/584599476.db2.gz HZBGTUNUCCXZJX-SECBINFHSA-N 2 2 208.305 2.038 20 0 BEADLP CC(C)C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccn1 ZINC000902413759 584599900 /nfs/dbraw/zinc/59/99/00/584599900.db2.gz OIJDYEMICRFHNP-CYBMUJFWSA-N 2 2 233.359 2.250 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472515 584601541 /nfs/dbraw/zinc/60/15/41/584601541.db2.gz BWNBTSXXSHDSRE-UQOMUDLDSA-N 2 2 228.339 2.156 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902472919 584601565 /nfs/dbraw/zinc/60/15/65/584601565.db2.gz LTCVJXVJLDAFNR-REBRKWNGSA-N 2 2 246.329 2.296 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccs1 ZINC000902473484 584602051 /nfs/dbraw/zinc/60/20/51/584602051.db2.gz ZYDKNQUERCMRLY-CHWFTXMASA-N 2 2 222.357 2.292 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902447030 584604380 /nfs/dbraw/zinc/60/43/80/584604380.db2.gz QHBKSSLVCYUQKK-WCQYABFASA-N 2 2 218.344 2.335 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(O)c1 ZINC000902448144 584604650 /nfs/dbraw/zinc/60/46/50/584604650.db2.gz CYLFWGIDXXFHSC-MFKMUULPSA-N 2 2 234.343 2.041 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000902449240 584605697 /nfs/dbraw/zinc/60/56/97/584605697.db2.gz NCQQVJMBPPKQLW-KBPBESRZSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000902456484 584609955 /nfs/dbraw/zinc/60/99/55/584609955.db2.gz PDCBDYFFRSNCRI-ZJUUUORDSA-N 2 2 239.363 2.188 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000902482195 584623859 /nfs/dbraw/zinc/62/38/59/584623859.db2.gz KGYKOZXKZWGNGX-QWHCGFSZSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cncs1 ZINC000902482173 584623935 /nfs/dbraw/zinc/62/39/35/584623935.db2.gz KBHCCJUGHPFAQL-MNOVXSKESA-N 2 2 239.388 2.326 20 0 BEADLP c1cn(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC000902724842 584660876 /nfs/dbraw/zinc/66/08/76/584660876.db2.gz KAJYOEFOAUCEHH-CLLJXQQHSA-N 2 2 219.332 2.051 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]3C1)CC2 ZINC000902961903 584706736 /nfs/dbraw/zinc/70/67/36/584706736.db2.gz ATCUGEKYAORICW-CRWXNKLISA-N 2 2 245.370 2.366 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000903021996 584721075 /nfs/dbraw/zinc/72/10/75/584721075.db2.gz DWABFFBTRJZGKP-RYUDHWBXSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161793 584731523 /nfs/dbraw/zinc/73/15/23/584731523.db2.gz OAXJUAIFPVNMFH-YOENINGUSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161793 584731524 /nfs/dbraw/zinc/73/15/24/584731524.db2.gz OAXJUAIFPVNMFH-YOENINGUSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000903165037 584731759 /nfs/dbraw/zinc/73/17/59/584731759.db2.gz HMMPWJVBBYDIDR-RHBQXOTJSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000903165037 584731760 /nfs/dbraw/zinc/73/17/60/584731760.db2.gz HMMPWJVBBYDIDR-RHBQXOTJSA-N 2 2 248.414 2.495 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1OC ZINC000903171920 584732528 /nfs/dbraw/zinc/73/25/28/584732528.db2.gz TWEORUQDAQPWEU-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1OC ZINC000903171920 584732529 /nfs/dbraw/zinc/73/25/29/584732529.db2.gz TWEORUQDAQPWEU-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199452 584734659 /nfs/dbraw/zinc/73/46/59/584734659.db2.gz XWWKTFZMCMZXEV-GWCFXTLKSA-N 2 2 219.332 2.036 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198649 584734897 /nfs/dbraw/zinc/73/48/97/584734897.db2.gz NWNHEIRRJKTCGQ-SMDDNHRTSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCC3)CC[N@@H+]1C ZINC000903299401 584743092 /nfs/dbraw/zinc/74/30/92/584743092.db2.gz AVOCPOATLYUPQL-IJLUTSLNSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCC3)CC[N@H+]1C ZINC000903299401 584743093 /nfs/dbraw/zinc/74/30/93/584743093.db2.gz AVOCPOATLYUPQL-IJLUTSLNSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCC3)CC[N@@H+]1C ZINC000903299400 584743382 /nfs/dbraw/zinc/74/33/82/584743382.db2.gz AVOCPOATLYUPQL-GRYCIOLGSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCC3)CC[N@H+]1C ZINC000903299400 584743383 /nfs/dbraw/zinc/74/33/83/584743383.db2.gz AVOCPOATLYUPQL-GRYCIOLGSA-N 2 2 208.349 2.001 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300653 584744156 /nfs/dbraw/zinc/74/41/56/584744156.db2.gz KJVRYZRVLSWXMP-AGIUHOORSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300653 584744157 /nfs/dbraw/zinc/74/41/57/584744157.db2.gz KJVRYZRVLSWXMP-AGIUHOORSA-N 2 2 242.407 2.120 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2C)CCC1 ZINC000903300905 584745047 /nfs/dbraw/zinc/74/50/47/584745047.db2.gz MZADQLLNTQLCSH-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)CCC1 ZINC000903300905 584745048 /nfs/dbraw/zinc/74/50/48/584745048.db2.gz MZADQLLNTQLCSH-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301029 584745101 /nfs/dbraw/zinc/74/51/01/584745101.db2.gz NIYAKNCYZWZSSJ-BBBLOLIVSA-N 2 2 234.334 2.348 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301029 584745102 /nfs/dbraw/zinc/74/51/02/584745102.db2.gz NIYAKNCYZWZSSJ-BBBLOLIVSA-N 2 2 234.334 2.348 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301811 584745158 /nfs/dbraw/zinc/74/51/58/584745158.db2.gz UODPHURYVZSMGF-OIAGVMEESA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301811 584745160 /nfs/dbraw/zinc/74/51/60/584745160.db2.gz UODPHURYVZSMGF-OIAGVMEESA-N 2 2 222.376 2.103 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000903439365 584762862 /nfs/dbraw/zinc/76/28/62/584762862.db2.gz HFXGCMMTXWWUNJ-JHJVBQTASA-N 2 2 240.416 2.098 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000903439365 584762863 /nfs/dbraw/zinc/76/28/63/584762863.db2.gz HFXGCMMTXWWUNJ-JHJVBQTASA-N 2 2 240.416 2.098 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440416 584763230 /nfs/dbraw/zinc/76/32/30/584763230.db2.gz XAMLJKHLZAFGAF-SWLSCSKDSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440416 584763231 /nfs/dbraw/zinc/76/32/31/584763231.db2.gz XAMLJKHLZAFGAF-SWLSCSKDSA-N 2 2 230.355 2.185 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423597 584764229 /nfs/dbraw/zinc/76/42/29/584764229.db2.gz YJJJOBMWXKZNCW-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423597 584764231 /nfs/dbraw/zinc/76/42/31/584764231.db2.gz YJJJOBMWXKZNCW-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423598 584764292 /nfs/dbraw/zinc/76/42/92/584764292.db2.gz YJJJOBMWXKZNCW-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903423598 584764294 /nfs/dbraw/zinc/76/42/94/584764294.db2.gz YJJJOBMWXKZNCW-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP c1ccc(C23CC(C2)C[N@H+]3C[C@H]2CCC[NH2+]2)cc1 ZINC000903464410 584769196 /nfs/dbraw/zinc/76/91/96/584769196.db2.gz MJSUVLNHHOGKDG-OGVSOVDVSA-N 2 2 242.366 2.360 20 0 BEADLP c1ccc(C23CC(C2)C[N@@H+]3C[C@H]2CCC[NH2+]2)cc1 ZINC000903464410 584769198 /nfs/dbraw/zinc/76/91/98/584769198.db2.gz MJSUVLNHHOGKDG-OGVSOVDVSA-N 2 2 242.366 2.360 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000903447375 584770430 /nfs/dbraw/zinc/77/04/30/584770430.db2.gz QADXJMMNIKQBCB-NEPJUHHUSA-N 2 2 234.343 2.482 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903476527 584777613 /nfs/dbraw/zinc/77/76/13/584777613.db2.gz ZWKUGQQXGNOIEI-GHMZBOCLSA-N 2 2 232.318 2.248 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903476527 584777614 /nfs/dbraw/zinc/77/76/14/584777614.db2.gz ZWKUGQQXGNOIEI-GHMZBOCLSA-N 2 2 232.318 2.248 20 0 BEADLP Cc1cncc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903476369 584777662 /nfs/dbraw/zinc/77/76/62/584777662.db2.gz VIITUVOHOZXHTK-HUUCEWRRSA-N 2 2 245.370 2.279 20 0 BEADLP Cc1cncc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903476369 584777664 /nfs/dbraw/zinc/77/76/64/584777664.db2.gz VIITUVOHOZXHTK-HUUCEWRRSA-N 2 2 245.370 2.279 20 0 BEADLP CC1(C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000903556324 584782762 /nfs/dbraw/zinc/78/27/62/584782762.db2.gz UVGKJTFHXOFRAF-ZIAGYGMSSA-N 2 2 248.345 2.482 20 0 BEADLP CC1(C)C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000903556324 584782763 /nfs/dbraw/zinc/78/27/63/584782763.db2.gz UVGKJTFHXOFRAF-ZIAGYGMSSA-N 2 2 248.345 2.482 20 0 BEADLP CC1(C)C[N@H+](CCCc2ccsc2)C[C@@H]1[NH3+] ZINC000903556869 584783105 /nfs/dbraw/zinc/78/31/05/584783105.db2.gz IMVURHQXDWIJDP-LBPRGKRZSA-N 2 2 238.400 2.350 20 0 BEADLP CC1(C)C[N@@H+](CCCc2ccsc2)C[C@@H]1[NH3+] ZINC000903556869 584783107 /nfs/dbraw/zinc/78/31/07/584783107.db2.gz IMVURHQXDWIJDP-LBPRGKRZSA-N 2 2 238.400 2.350 20 0 BEADLP CCC[N@H+](CC1CC(C)C1)[C@H]1CC[NH2+]C1 ZINC000903716426 584791776 /nfs/dbraw/zinc/79/17/76/584791776.db2.gz MUGCHJDSPPSYJX-BPCQOVAHSA-N 2 2 210.365 2.106 20 0 BEADLP CCC[N@@H+](CC1CC(C)C1)[C@H]1CC[NH2+]C1 ZINC000903716426 584791777 /nfs/dbraw/zinc/79/17/77/584791777.db2.gz MUGCHJDSPPSYJX-BPCQOVAHSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1CF ZINC000903717320 584792504 /nfs/dbraw/zinc/79/25/04/584792504.db2.gz NDYDCMONSSWGRY-CQSZACIVSA-N 2 2 236.334 2.340 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1CF ZINC000903717320 584792506 /nfs/dbraw/zinc/79/25/06/584792506.db2.gz NDYDCMONSSWGRY-CQSZACIVSA-N 2 2 236.334 2.340 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1CF ZINC000903717319 584792614 /nfs/dbraw/zinc/79/26/14/584792614.db2.gz NDYDCMONSSWGRY-AWEZNQCLSA-N 2 2 236.334 2.340 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1CF ZINC000903717319 584792617 /nfs/dbraw/zinc/79/26/17/584792617.db2.gz NDYDCMONSSWGRY-AWEZNQCLSA-N 2 2 236.334 2.340 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CF ZINC000903713129 584793383 /nfs/dbraw/zinc/79/33/83/584793383.db2.gz GCAZTKOQUWWHFO-AWEZNQCLSA-N 2 2 236.334 2.469 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1CF ZINC000903713129 584793384 /nfs/dbraw/zinc/79/33/84/584793384.db2.gz GCAZTKOQUWWHFO-AWEZNQCLSA-N 2 2 236.334 2.469 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000903753320 584796120 /nfs/dbraw/zinc/79/61/20/584796120.db2.gz TXRFXCKSRUSNHU-NJZAAPMLSA-N 2 2 247.386 2.175 20 0 BEADLP Cc1cc(C)[nH+]c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000903742033 584796678 /nfs/dbraw/zinc/79/66/78/584796678.db2.gz UTGCHTPDUWLMIN-HNNXBMFYSA-N 2 2 245.370 2.025 20 0 BEADLP CC1CC(C[NH2+]c2ccc(OCC[NH3+])cc2)C1 ZINC000903742486 584796772 /nfs/dbraw/zinc/79/67/72/584796772.db2.gz APKPYYUCHQRBPV-UHFFFAOYSA-N 2 2 234.343 2.482 20 0 BEADLP FCc1ccccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903760651 584797420 /nfs/dbraw/zinc/79/74/20/584797420.db2.gz IGKJMNUTMXFGER-HNNXBMFYSA-N 2 2 248.345 2.484 20 0 BEADLP FCc1ccccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903760651 584797421 /nfs/dbraw/zinc/79/74/21/584797421.db2.gz IGKJMNUTMXFGER-HNNXBMFYSA-N 2 2 248.345 2.484 20 0 BEADLP C[N@H+](Cc1ccccc1CF)CC(C)(C)[NH3+] ZINC000903768857 584798174 /nfs/dbraw/zinc/79/81/74/584798174.db2.gz SOKPFDHXQZRHLB-UHFFFAOYSA-N 2 2 224.323 2.325 20 0 BEADLP C[N@@H+](Cc1ccccc1CF)CC(C)(C)[NH3+] ZINC000903768857 584798175 /nfs/dbraw/zinc/79/81/75/584798175.db2.gz SOKPFDHXQZRHLB-UHFFFAOYSA-N 2 2 224.323 2.325 20 0 BEADLP CC1CC(C[N@@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000903775461 584799026 /nfs/dbraw/zinc/79/90/26/584799026.db2.gz LFQLAYYYPAEAOX-BPCQOVAHSA-N 2 2 210.365 2.236 20 0 BEADLP CC1CC(C[N@H+]2CCCCC[C@H]([NH3+])C2)C1 ZINC000903775461 584799027 /nfs/dbraw/zinc/79/90/27/584799027.db2.gz LFQLAYYYPAEAOX-BPCQOVAHSA-N 2 2 210.365 2.236 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000903782135 584800462 /nfs/dbraw/zinc/80/04/62/584800462.db2.gz ZWNPHONXCMZZTQ-GJZGRUSLSA-N 2 2 245.370 2.025 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903800427 584801214 /nfs/dbraw/zinc/80/12/14/584801214.db2.gz HOOLPXMQMOPXOH-XLWJZTARSA-N 2 2 234.387 2.236 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903800427 584801216 /nfs/dbraw/zinc/80/12/16/584801216.db2.gz HOOLPXMQMOPXOH-XLWJZTARSA-N 2 2 234.387 2.236 20 0 BEADLP COCCCCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799050 584801752 /nfs/dbraw/zinc/80/17/52/584801752.db2.gz PSTILQGUGBYJCU-KGLIPLIRSA-N 2 2 240.391 2.006 20 0 BEADLP COCCCCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799050 584801753 /nfs/dbraw/zinc/80/17/53/584801753.db2.gz PSTILQGUGBYJCU-KGLIPLIRSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CC1CC=CC1 ZINC000903801082 584801758 /nfs/dbraw/zinc/80/17/58/584801758.db2.gz KOGVPKAXAGLOEJ-KBPBESRZSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CC1CC=CC1 ZINC000903801082 584801759 /nfs/dbraw/zinc/80/17/59/584801759.db2.gz KOGVPKAXAGLOEJ-KBPBESRZSA-N 2 2 220.360 2.156 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])nc1 ZINC000903801285 584802063 /nfs/dbraw/zinc/80/20/63/584802063.db2.gz MBLJUAPLXKLYHI-HIFRSBDPSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])nc1 ZINC000903801285 584802064 /nfs/dbraw/zinc/80/20/64/584802064.db2.gz MBLJUAPLXKLYHI-HIFRSBDPSA-N 2 2 245.370 2.093 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000903821068 584804083 /nfs/dbraw/zinc/80/40/83/584804083.db2.gz GNTPDWUNZVLXGD-VIFPVBQESA-N 2 2 244.791 2.489 20 0 BEADLP Cc1cccnc1[C@@H]([NH2+]CC[NH3+])C(C)(C)C ZINC000903829764 584805451 /nfs/dbraw/zinc/80/54/51/584805451.db2.gz JWCPFUDZXMSYSH-GFCCVEGCSA-N 2 2 221.348 2.026 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903859859 584811299 /nfs/dbraw/zinc/81/12/99/584811299.db2.gz PEHYJLYAXCQQJS-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903859859 584811300 /nfs/dbraw/zinc/81/13/00/584811300.db2.gz PEHYJLYAXCQQJS-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c(C)n1 ZINC000903859567 584811309 /nfs/dbraw/zinc/81/13/09/584811309.db2.gz NZHJRVNRNJAUAM-CABCVRRESA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c(C)n1 ZINC000903859567 584811310 /nfs/dbraw/zinc/81/13/10/584811310.db2.gz NZHJRVNRNJAUAM-CABCVRRESA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1F ZINC000903860933 584812129 /nfs/dbraw/zinc/81/21/29/584812129.db2.gz UZSHRAROUOXALZ-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1F ZINC000903860933 584812130 /nfs/dbraw/zinc/81/21/30/584812130.db2.gz UZSHRAROUOXALZ-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCc1cccc(F)c1 ZINC000903864736 584812875 /nfs/dbraw/zinc/81/28/75/584812875.db2.gz WKZLYQXGNXTTAV-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCc1cccc(F)c1 ZINC000903864736 584812877 /nfs/dbraw/zinc/81/28/77/584812877.db2.gz WKZLYQXGNXTTAV-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863360 584812890 /nfs/dbraw/zinc/81/28/90/584812890.db2.gz KVUKDCMRQONQJI-GJZGRUSLSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863360 584812892 /nfs/dbraw/zinc/81/28/92/584812892.db2.gz KVUKDCMRQONQJI-GJZGRUSLSA-N 2 2 248.345 2.469 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c(C)n1 ZINC000903870326 584814889 /nfs/dbraw/zinc/81/48/89/584814889.db2.gz MYUXIATTZBALFH-OAHLLOKOSA-N 2 2 245.370 2.026 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c(C)n1 ZINC000903870326 584814890 /nfs/dbraw/zinc/81/48/90/584814890.db2.gz MYUXIATTZBALFH-OAHLLOKOSA-N 2 2 245.370 2.026 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871007 584815434 /nfs/dbraw/zinc/81/54/34/584815434.db2.gz RGZSBQYXANMEPC-LBPRGKRZSA-N 2 2 232.318 2.250 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871007 584815435 /nfs/dbraw/zinc/81/54/35/584815435.db2.gz RGZSBQYXANMEPC-LBPRGKRZSA-N 2 2 232.318 2.250 20 0 BEADLP [NH3+][C@H](C[NH2+]C1(c2ccccc2)CC1)CC(F)F ZINC000903899505 584820568 /nfs/dbraw/zinc/82/05/68/584820568.db2.gz SNEUFNSCSQQGDY-NSHDSACASA-N 2 2 240.297 2.248 20 0 BEADLP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000903959308 584827634 /nfs/dbraw/zinc/82/76/34/584827634.db2.gz FDOQEMJYDGGXJX-JRPNMDOOSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903960691 584828028 /nfs/dbraw/zinc/82/80/28/584828028.db2.gz VEJVYRCVVTVDNF-UKRRQHHQSA-N 2 2 232.371 2.309 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000903960500 584828101 /nfs/dbraw/zinc/82/81/01/584828101.db2.gz NCNOOPRJBWFNSU-BXUZGUMPSA-N 2 2 218.344 2.001 20 0 BEADLP Cc1cc(N[C@@H]2C[NH2+]C[C@@H](C)C2)c[nH+]c1C ZINC000903947585 584829642 /nfs/dbraw/zinc/82/96/42/584829642.db2.gz BMUPZFMJMCSUFD-CABZTGNLSA-N 2 2 219.332 2.108 20 0 BEADLP Cc1cc(NC[C@H]2CC[NH2+][C@H](C)C2)c[nH+]c1C ZINC000903948006 584830152 /nfs/dbraw/zinc/83/01/52/584830152.db2.gz KMIRMRPJUSWNJT-YPMHNXCESA-N 2 2 233.359 2.498 20 0 BEADLP COc1ccsc1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949574 584830252 /nfs/dbraw/zinc/83/02/52/584830252.db2.gz CJLZYAHXDGKXAU-UHFFFAOYSA-N 2 2 249.339 2.024 20 0 BEADLP C[C@@H](C[NH2+]Cc1cc(N)cc[nH+]1)C(C)(C)C ZINC000903953624 584831600 /nfs/dbraw/zinc/83/16/00/584831600.db2.gz HKBXREQBYCYAJO-JTQLQIEISA-N 2 2 221.348 2.436 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000904341278 584867010 /nfs/dbraw/zinc/86/70/10/584867010.db2.gz MJEXVLVWBYLJQW-HNNXBMFYSA-N 2 2 247.386 2.212 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000904341278 584867011 /nfs/dbraw/zinc/86/70/11/584867011.db2.gz MJEXVLVWBYLJQW-HNNXBMFYSA-N 2 2 247.386 2.212 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000904357687 584872010 /nfs/dbraw/zinc/87/20/10/584872010.db2.gz ADFLAMVBUQUDAB-NEPJUHHUSA-N 3 2 243.439 2.103 20 0 BEADLP CC[NH+]1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC000749117623 585199508 /nfs/dbraw/zinc/19/95/08/585199508.db2.gz WQFWZZZTHSJEEC-DAXSKMNVSA-N 2 2 216.756 2.155 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC000749117623 585199509 /nfs/dbraw/zinc/19/95/09/585199509.db2.gz WQFWZZZTHSJEEC-DAXSKMNVSA-N 2 2 216.756 2.155 20 0 BEADLP CC[NH+]1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC000749117625 585199795 /nfs/dbraw/zinc/19/97/95/585199795.db2.gz WQFWZZZTHSJEEC-QPJJXVBHSA-N 2 2 216.756 2.155 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC000749117625 585199796 /nfs/dbraw/zinc/19/97/96/585199796.db2.gz WQFWZZZTHSJEEC-QPJJXVBHSA-N 2 2 216.756 2.155 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000756120902 585314662 /nfs/dbraw/zinc/31/46/62/585314662.db2.gz OCEVNLAVAVQCIK-SMDDNHRTSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000756120902 585314663 /nfs/dbraw/zinc/31/46/63/585314663.db2.gz OCEVNLAVAVQCIK-SMDDNHRTSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000756127640 585314931 /nfs/dbraw/zinc/31/49/31/585314931.db2.gz KTHZKLCRGMPQMR-HNNXBMFYSA-N 2 2 232.371 2.140 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000756127640 585314932 /nfs/dbraw/zinc/31/49/32/585314932.db2.gz KTHZKLCRGMPQMR-HNNXBMFYSA-N 2 2 232.371 2.140 20 0 BEADLP Cc1nc(NCC[N@H+]2CCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000761908637 585422797 /nfs/dbraw/zinc/42/27/97/585422797.db2.gz SSIUIVXDUFHURY-SNVBAGLBSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(NCC[N@@H+]2CCC[C@H]2C)c(C)c(C)[nH+]1 ZINC000761908637 585422798 /nfs/dbraw/zinc/42/27/98/585422798.db2.gz SSIUIVXDUFHURY-SNVBAGLBSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000764589686 585468616 /nfs/dbraw/zinc/46/86/16/585468616.db2.gz IWCVQGKGTYNFFM-HNNXBMFYSA-N 2 2 241.338 2.469 20 0 BEADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccn1 ZINC000766081384 585497214 /nfs/dbraw/zinc/49/72/14/585497214.db2.gz LWOXXARQGBYBMN-OAHLLOKOSA-N 2 2 247.386 2.463 20 0 BEADLP COC[C@@H](CC(C)C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766270390 585499745 /nfs/dbraw/zinc/49/97/45/585499745.db2.gz BEJVOHMULZODCA-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H](CC(C)C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766270390 585499746 /nfs/dbraw/zinc/49/97/46/585499746.db2.gz BEJVOHMULZODCA-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccoc2)C1 ZINC000769513468 585558565 /nfs/dbraw/zinc/55/85/65/585558565.db2.gz ADUPPMZPCOVVGY-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccoc2)C1 ZINC000769513468 585558566 /nfs/dbraw/zinc/55/85/66/585558566.db2.gz ADUPPMZPCOVVGY-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000769513468 585558567 /nfs/dbraw/zinc/55/85/67/585558567.db2.gz ADUPPMZPCOVVGY-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000769513468 585558568 /nfs/dbraw/zinc/55/85/68/585558568.db2.gz ADUPPMZPCOVVGY-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc[nH]1 ZINC000773124345 585631919 /nfs/dbraw/zinc/63/19/19/585631919.db2.gz XPIKSSHGOGMSIQ-MJVIPROJSA-N 2 2 233.359 2.148 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc[nH]1 ZINC000773124345 585631920 /nfs/dbraw/zinc/63/19/20/585631920.db2.gz XPIKSSHGOGMSIQ-MJVIPROJSA-N 2 2 233.359 2.148 20 0 BEADLP C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777842897 585721324 /nfs/dbraw/zinc/72/13/24/585721324.db2.gz NBRDFQXAZPTBJX-CMPLNLGQSA-N 2 2 219.332 2.388 20 0 BEADLP C[C@@H](C1CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777842897 585721325 /nfs/dbraw/zinc/72/13/25/585721325.db2.gz NBRDFQXAZPTBJX-CMPLNLGQSA-N 2 2 219.332 2.388 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C)o1 ZINC000778188755 585727093 /nfs/dbraw/zinc/72/70/93/585727093.db2.gz INRPPHOUFUSBQD-ZDUSSCGKSA-N 2 2 245.326 2.198 20 0 BEADLP C[C@H](C1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000782180011 585809864 /nfs/dbraw/zinc/80/98/64/585809864.db2.gz BPVAUTJFJBOBFY-LLVKDONJSA-N 2 2 219.332 2.319 20 0 BEADLP FCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031941 585827198 /nfs/dbraw/zinc/82/71/98/585827198.db2.gz UYZKZIHOTKTYEU-UHFFFAOYSA-N 2 2 239.338 2.345 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000783209725 585830924 /nfs/dbraw/zinc/83/09/24/585830924.db2.gz DJVRLHYELFBSRM-WCQYABFASA-N 2 2 229.327 2.265 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000783211548 585830982 /nfs/dbraw/zinc/83/09/82/585830982.db2.gz MKXCHWQIRSUJHZ-DGCLKSJQSA-N 2 2 242.326 2.155 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000783209724 585831084 /nfs/dbraw/zinc/83/10/84/585831084.db2.gz DJVRLHYELFBSRM-DGCLKSJQSA-N 2 2 229.327 2.265 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000788614032 585927854 /nfs/dbraw/zinc/92/78/54/585927854.db2.gz QZEXTANHELFMFF-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000788614032 585927855 /nfs/dbraw/zinc/92/78/55/585927855.db2.gz QZEXTANHELFMFF-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C(C[NH+]1CCC2(CCC2)CC1)[NH+]1CCCC1 ZINC000796514214 586105824 /nfs/dbraw/zinc/10/58/24/586105824.db2.gz VVHRQHBQONWZCR-UHFFFAOYSA-N 2 2 222.376 2.348 20 0 BEADLP Cc1cc(C[NH2+]CCCc2c[nH+]ccc2C)[nH]n1 ZINC000809623248 586509436 /nfs/dbraw/zinc/50/94/36/586509436.db2.gz SLMQOCQZUNOCRN-UHFFFAOYSA-N 2 2 244.342 2.144 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@](C)(CO)C1CC1 ZINC000809633405 586510025 /nfs/dbraw/zinc/51/00/25/586510025.db2.gz DSBSLVXOCZMLBM-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP C[NH+]1CCC(Nc2cccc(C3CC3)[nH+]2)CC1 ZINC000815143192 586669533 /nfs/dbraw/zinc/66/95/33/586669533.db2.gz GKICIUDNPZAODK-UHFFFAOYSA-N 2 2 231.343 2.465 20 0 BEADLP C[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000816649460 586752631 /nfs/dbraw/zinc/75/26/31/586752631.db2.gz ZQGZXBAOLMMBSB-UWVGGRQHSA-N 2 2 239.388 2.045 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000816649460 586752633 /nfs/dbraw/zinc/75/26/33/586752633.db2.gz ZQGZXBAOLMMBSB-UWVGGRQHSA-N 2 2 239.388 2.045 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000816649462 586752754 /nfs/dbraw/zinc/75/27/54/586752754.db2.gz ZQGZXBAOLMMBSB-ZJUUUORDSA-N 2 2 239.388 2.045 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]1C ZINC000816649462 586752755 /nfs/dbraw/zinc/75/27/55/586752755.db2.gz ZQGZXBAOLMMBSB-ZJUUUORDSA-N 2 2 239.388 2.045 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817897310 586835208 /nfs/dbraw/zinc/83/52/08/586835208.db2.gz JXJXRJUVZYGWBN-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817907582 586837401 /nfs/dbraw/zinc/83/74/01/586837401.db2.gz FGRHOWMMXXQNSH-ZFWWWQNUSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817940088 586844923 /nfs/dbraw/zinc/84/49/23/586844923.db2.gz DQSPNVPPFZMEAE-SMDDNHRTSA-N 2 2 246.354 2.024 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000817951145 586847727 /nfs/dbraw/zinc/84/77/27/586847727.db2.gz AFXWAIMVBULHSK-LBPRGKRZSA-N 2 2 236.359 2.345 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817951330 586847920 /nfs/dbraw/zinc/84/79/20/586847920.db2.gz DXFVVLDCEUZVPO-AWEZNQCLSA-N 2 2 248.370 2.272 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000817951222 586848247 /nfs/dbraw/zinc/84/82/47/586848247.db2.gz BUUUVJVTSHAQLA-GFCCVEGCSA-N 2 2 236.359 2.182 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000817952915 586848780 /nfs/dbraw/zinc/84/87/80/586848780.db2.gz IUSKPUVCOOVXJO-HNNXBMFYSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817961373 586853317 /nfs/dbraw/zinc/85/33/17/586853317.db2.gz XVEXKZYWLYZCJK-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817965342 586854240 /nfs/dbraw/zinc/85/42/40/586854240.db2.gz PDGSXMDVVOYNET-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817965444 586854324 /nfs/dbraw/zinc/85/43/24/586854324.db2.gz QLRXLJHNVIKHFS-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817977776 586861474 /nfs/dbraw/zinc/86/14/74/586861474.db2.gz ONAGTMWMRPDVGW-VGMNWLOBSA-N 2 2 227.739 2.121 20 0 BEADLP CCCCCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000819020818 586924474 /nfs/dbraw/zinc/92/44/74/586924474.db2.gz HPBOEWDHCQAUSM-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000819020818 586924475 /nfs/dbraw/zinc/92/44/75/586924475.db2.gz HPBOEWDHCQAUSM-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CO[C@H]1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000821385591 587115706 /nfs/dbraw/zinc/11/57/06/587115706.db2.gz FXDAMEHWSHUVQY-STQMWFEESA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429877 587319278 /nfs/dbraw/zinc/31/92/78/587319278.db2.gz QBZCIFLQTZUNFT-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429877 587319281 /nfs/dbraw/zinc/31/92/81/587319281.db2.gz QBZCIFLQTZUNFT-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)C1CCC1 ZINC000826868034 587364438 /nfs/dbraw/zinc/36/44/38/587364438.db2.gz OQMAKGACSMHJMN-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000827518756 587385462 /nfs/dbraw/zinc/38/54/62/587385462.db2.gz DUXZDBGNNVAMQI-HSOILSAZSA-N 2 2 232.318 2.104 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000827518756 587385464 /nfs/dbraw/zinc/38/54/64/587385464.db2.gz DUXZDBGNNVAMQI-HSOILSAZSA-N 2 2 232.318 2.104 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC2(COC2)C1 ZINC000827644081 587394161 /nfs/dbraw/zinc/39/41/61/587394161.db2.gz OQZSLZPLZNCYSI-UHFFFAOYSA-N 2 2 246.354 2.045 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC2(COC2)C1 ZINC000827644081 587394164 /nfs/dbraw/zinc/39/41/64/587394164.db2.gz OQZSLZPLZNCYSI-UHFFFAOYSA-N 2 2 246.354 2.045 20 0 BEADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1(C)C ZINC000831359752 587601005 /nfs/dbraw/zinc/60/10/05/587601005.db2.gz ZSVJQTDJCPPUEL-NEPJUHHUSA-N 2 2 237.347 2.091 20 0 BEADLP CC[N@H+](CCc1ccccn1)C[C@@H]([NH3+])CC(C)C ZINC000841007155 587934591 /nfs/dbraw/zinc/93/45/91/587934591.db2.gz BYBXSARMAHFCSN-AWEZNQCLSA-N 2 2 249.402 2.319 20 0 BEADLP CC[N@@H+](CCc1ccccn1)C[C@@H]([NH3+])CC(C)C ZINC000841007155 587934592 /nfs/dbraw/zinc/93/45/92/587934592.db2.gz BYBXSARMAHFCSN-AWEZNQCLSA-N 2 2 249.402 2.319 20 0 BEADLP CC1(C[NH2+]c2ccc(OCC[NH3+])cc2)CC1 ZINC000841054895 587935582 /nfs/dbraw/zinc/93/55/82/587935582.db2.gz PWQXBZXMEXLGSS-UHFFFAOYSA-N 2 2 220.316 2.236 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cnc1Cl ZINC000841028487 587936678 /nfs/dbraw/zinc/93/66/78/587936678.db2.gz HKDMWVCYHNJBBX-NSHDSACASA-N 2 2 241.766 2.116 20 0 BEADLP c1ccc2ncc(C[NH2+][C@H]3CCC[NH2+]C3)cc2c1 ZINC000841041607 587938317 /nfs/dbraw/zinc/93/83/17/587938317.db2.gz ARZRLRIPQUVXSY-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OC ZINC000841071187 587942518 /nfs/dbraw/zinc/94/25/18/587942518.db2.gz ZYBJCMCRVUCNJG-LLVKDONJSA-N 2 2 242.750 2.176 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841087664 587945694 /nfs/dbraw/zinc/94/56/94/587945694.db2.gz PKPQVPYNYKFRKV-SNVBAGLBSA-N 2 2 241.766 2.198 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cnc(Cl)s1 ZINC000842474951 588029156 /nfs/dbraw/zinc/02/91/56/588029156.db2.gz FUVUENPACBNSHG-MRVPVSSYSA-N 2 2 247.795 2.260 20 0 BEADLP FC1(F)C[C@]12CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000844441311 588193625 /nfs/dbraw/zinc/19/36/25/588193625.db2.gz MAUNRNSEACZILI-NSHDSACASA-N 2 2 241.285 2.004 20 0 BEADLP FC1(F)C[C@]12CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000844441311 588193626 /nfs/dbraw/zinc/19/36/26/588193626.db2.gz MAUNRNSEACZILI-NSHDSACASA-N 2 2 241.285 2.004 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)CCO ZINC000846110131 588256905 /nfs/dbraw/zinc/25/69/05/588256905.db2.gz HTSJNYISNMLGLB-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)CCO ZINC000846110131 588256906 /nfs/dbraw/zinc/25/69/06/588256906.db2.gz HTSJNYISNMLGLB-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC(C)C[N@H+](C)CCCN[C@H](C)c1[nH]cc[nH+]1 ZINC000846178869 588259160 /nfs/dbraw/zinc/25/91/60/588259160.db2.gz YGTSKLUONIWPIB-GFCCVEGCSA-N 2 2 238.379 2.038 20 0 BEADLP CC(C)C[N@@H+](C)CCCN[C@H](C)c1[nH]cc[nH+]1 ZINC000846178869 588259161 /nfs/dbraw/zinc/25/91/61/588259161.db2.gz YGTSKLUONIWPIB-GFCCVEGCSA-N 2 2 238.379 2.038 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000846178869 588259162 /nfs/dbraw/zinc/25/91/62/588259162.db2.gz YGTSKLUONIWPIB-GFCCVEGCSA-N 2 2 238.379 2.038 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000846178869 588259163 /nfs/dbraw/zinc/25/91/63/588259163.db2.gz YGTSKLUONIWPIB-GFCCVEGCSA-N 2 2 238.379 2.038 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C23CCC(CC2)C3)n1C ZINC000850245938 588531326 /nfs/dbraw/zinc/53/13/26/588531326.db2.gz VODWWUIWGORPRA-UHFFFAOYSA-N 2 2 219.332 2.151 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C13CCC(CC1)C3)CCC2 ZINC000850246014 588531535 /nfs/dbraw/zinc/53/15/35/588531535.db2.gz ZGMLODHNKUNFTN-UHFFFAOYSA-N 2 2 231.343 2.252 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C=CCC2)s1 ZINC000850359159 588540108 /nfs/dbraw/zinc/54/01/08/588540108.db2.gz YLXBCSDNUFVMLK-JTQLQIEISA-N 2 2 237.372 2.013 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000850437940 588546568 /nfs/dbraw/zinc/54/65/68/588546568.db2.gz BBODYKFNONXBLL-NEPJUHHUSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000850437940 588546570 /nfs/dbraw/zinc/54/65/70/588546570.db2.gz BBODYKFNONXBLL-NEPJUHHUSA-N 2 2 248.411 2.152 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000850556925 588560475 /nfs/dbraw/zinc/56/04/75/588560475.db2.gz UKLGOCKWOPTTSK-IHRRRGAJSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000850556925 588560477 /nfs/dbraw/zinc/56/04/77/588560477.db2.gz UKLGOCKWOPTTSK-IHRRRGAJSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC=C(Cl)Cl)C2)C1 ZINC000852078606 588660162 /nfs/dbraw/zinc/66/01/62/588660162.db2.gz SALZFYRDUGGOOQ-LLVKDONJSA-N 2 2 249.185 2.333 20 0 BEADLP C[N@H+]1CC[C@@]2(CC[NH+](CC=C(Cl)Cl)C2)C1 ZINC000852078606 588660163 /nfs/dbraw/zinc/66/01/63/588660163.db2.gz SALZFYRDUGGOOQ-LLVKDONJSA-N 2 2 249.185 2.333 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@H+](CC=C(Cl)Cl)C2)C1 ZINC000852078606 588660164 /nfs/dbraw/zinc/66/01/64/588660164.db2.gz SALZFYRDUGGOOQ-LLVKDONJSA-N 2 2 249.185 2.333 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC=C(Cl)Cl)C2)C1 ZINC000852078606 588660165 /nfs/dbraw/zinc/66/01/65/588660165.db2.gz SALZFYRDUGGOOQ-LLVKDONJSA-N 2 2 249.185 2.333 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852750197 588697084 /nfs/dbraw/zinc/69/70/84/588697084.db2.gz NLXBPRLRIUWPKE-NSHDSACASA-N 2 2 249.185 2.381 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852750197 588697085 /nfs/dbraw/zinc/69/70/85/588697085.db2.gz NLXBPRLRIUWPKE-NSHDSACASA-N 2 2 249.185 2.381 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC=C(Cl)Cl ZINC000852750211 588700008 /nfs/dbraw/zinc/70/00/08/588700008.db2.gz NYVZNNKHBHXCEJ-MRTMQBJTSA-N 2 2 237.174 2.282 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569099 589296271 /nfs/dbraw/zinc/29/62/71/589296271.db2.gz RRXUMGFRILELJW-NSHDSACASA-N 2 2 235.375 2.292 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000863569099 589296273 /nfs/dbraw/zinc/29/62/73/589296273.db2.gz RRXUMGFRILELJW-NSHDSACASA-N 2 2 235.375 2.292 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)CCOC1CCCCCC1 ZINC000863570216 589300476 /nfs/dbraw/zinc/30/04/76/589300476.db2.gz STDOSJJABLYGGG-GFCCVEGCSA-N 2 2 228.380 2.005 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)CCOC1CCCCCC1 ZINC000863570216 589300478 /nfs/dbraw/zinc/30/04/78/589300478.db2.gz STDOSJJABLYGGG-GFCCVEGCSA-N 2 2 228.380 2.005 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)CCSCc1ccccc1 ZINC000863652289 589307563 /nfs/dbraw/zinc/30/75/63/589307563.db2.gz RCEFNXKWPKVPOG-GFCCVEGCSA-N 2 2 238.400 2.199 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)CCSCc1ccccc1 ZINC000863652289 589307564 /nfs/dbraw/zinc/30/75/64/589307564.db2.gz RCEFNXKWPKVPOG-GFCCVEGCSA-N 2 2 238.400 2.199 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2CCC2)C[N@@H+]1C1CC1 ZINC000120500609 589422194 /nfs/dbraw/zinc/42/21/94/589422194.db2.gz WAEFNYQRFRZJFF-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2CCC2)C[N@H+]1C1CC1 ZINC000120500609 589422195 /nfs/dbraw/zinc/42/21/95/589422195.db2.gz WAEFNYQRFRZJFF-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721835 589458144 /nfs/dbraw/zinc/45/81/44/589458144.db2.gz HTIVJPOSGXLLGB-JSGCOSHPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721835 589458145 /nfs/dbraw/zinc/45/81/45/589458145.db2.gz HTIVJPOSGXLLGB-JSGCOSHPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000866213971 589480803 /nfs/dbraw/zinc/48/08/03/589480803.db2.gz FHEWYXDBOCWARY-ZDUSSCGKSA-N 2 2 249.402 2.333 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]CC[NH+]1CCCC1 ZINC000866217654 589481270 /nfs/dbraw/zinc/48/12/70/589481270.db2.gz ZNADKODKFMSWGZ-CQSZACIVSA-N 2 2 247.386 2.088 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]CC[NH+]1CCCC1 ZINC000866217652 589481301 /nfs/dbraw/zinc/48/13/01/589481301.db2.gz ZNADKODKFMSWGZ-AWEZNQCLSA-N 2 2 247.386 2.088 20 0 BEADLP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)nc1Cl ZINC000866662261 589508668 /nfs/dbraw/zinc/50/86/68/589508668.db2.gz ZVTZSYWMZQRLKE-UHFFFAOYSA-N 2 2 239.750 2.014 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000866666664 589509587 /nfs/dbraw/zinc/50/95/87/589509587.db2.gz UICFXKKCQKAGNP-UHFFFAOYSA-N 2 2 241.766 2.085 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000866666664 589509588 /nfs/dbraw/zinc/50/95/88/589509588.db2.gz UICFXKKCQKAGNP-UHFFFAOYSA-N 2 2 241.766 2.085 20 0 BEADLP CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CC[NH3+] ZINC000866702784 589513664 /nfs/dbraw/zinc/51/36/64/589513664.db2.gz GLEAJSULNOPTIH-LBPRGKRZSA-N 2 2 236.334 2.352 20 0 BEADLP CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC[NH3+] ZINC000866702784 589513665 /nfs/dbraw/zinc/51/36/65/589513665.db2.gz GLEAJSULNOPTIH-LBPRGKRZSA-N 2 2 236.334 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724248 589516087 /nfs/dbraw/zinc/51/60/87/589516087.db2.gz MBQXGFORWAKRCB-GRYCIOLGSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866724248 589516088 /nfs/dbraw/zinc/51/60/88/589516088.db2.gz MBQXGFORWAKRCB-GRYCIOLGSA-N 2 2 246.345 2.494 20 0 BEADLP CCC(N)=[NH+]OCc1c(C)cc(C)[nH+]c1C ZINC000871728661 589800029 /nfs/dbraw/zinc/80/00/29/589800029.db2.gz PTFMOSMRFAXUFY-UHFFFAOYSA-N 2 2 221.304 2.415 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872031524 589857285 /nfs/dbraw/zinc/85/72/85/589857285.db2.gz PXMSBGKKNKLSQX-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872031524 589857287 /nfs/dbraw/zinc/85/72/87/589857287.db2.gz PXMSBGKKNKLSQX-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316733 589910821 /nfs/dbraw/zinc/91/08/21/589910821.db2.gz SNIVXGSTGZTHKM-CABCVRRESA-N 2 2 246.354 2.234 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000873221960 589999541 /nfs/dbraw/zinc/99/95/41/589999541.db2.gz VCWKGORQTZUNDY-UPJWGTAASA-N 2 2 242.432 2.045 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000873221960 589999542 /nfs/dbraw/zinc/99/95/42/589999542.db2.gz VCWKGORQTZUNDY-UPJWGTAASA-N 2 2 242.432 2.045 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000873293505 590023206 /nfs/dbraw/zinc/02/32/06/590023206.db2.gz LHIYVQBWAOCWPC-HOTGVXAUSA-N 2 2 244.382 2.479 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873293515 590023308 /nfs/dbraw/zinc/02/33/08/590023308.db2.gz LPODQHZUSLGNHL-MLGOLLRUSA-N 2 2 244.382 2.479 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020126007 590076658 /nfs/dbraw/zinc/07/66/58/590076658.db2.gz JFQJIIMNXAYMKM-GHMZBOCLSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876928791 590258370 /nfs/dbraw/zinc/25/83/70/590258370.db2.gz CTGAREXYUNZKHK-BDAKNGLRSA-N 2 2 248.157 2.055 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000876957008 590260734 /nfs/dbraw/zinc/26/07/34/590260734.db2.gz QNZNRKUHOOTNIS-GRYCIOLGSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000876957011 590260778 /nfs/dbraw/zinc/26/07/78/590260778.db2.gz QNZNRKUHOOTNIS-WOPDTQHZSA-N 2 2 246.345 2.494 20 0 BEADLP CC1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000877429751 590325939 /nfs/dbraw/zinc/32/59/39/590325939.db2.gz MWYHRCQPGYLCFW-LBPRGKRZSA-N 2 2 233.359 2.368 20 0 BEADLP C[NH+](C)CCC[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877521793 590345740 /nfs/dbraw/zinc/34/57/40/590345740.db2.gz DZTPNHCWAZQOEM-SECBINFHSA-N 2 2 239.190 2.064 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000877521793 590345743 /nfs/dbraw/zinc/34/57/43/590345743.db2.gz DZTPNHCWAZQOEM-SECBINFHSA-N 2 2 239.190 2.064 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC000877706778 590397344 /nfs/dbraw/zinc/39/73/44/590397344.db2.gz RZBYHRIPBRDUPM-OAHLLOKOSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC000877706778 590397348 /nfs/dbraw/zinc/39/73/48/590397348.db2.gz RZBYHRIPBRDUPM-OAHLLOKOSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c(C)o1 ZINC000877744422 590411246 /nfs/dbraw/zinc/41/12/46/590411246.db2.gz SSIZDARIOFRBIY-UKRRQHHQSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(C)o1 ZINC000877744422 590411248 /nfs/dbraw/zinc/41/12/48/590411248.db2.gz SSIZDARIOFRBIY-UKRRQHHQSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744422 590411249 /nfs/dbraw/zinc/41/12/49/590411249.db2.gz SSIZDARIOFRBIY-UKRRQHHQSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744422 590411251 /nfs/dbraw/zinc/41/12/51/590411251.db2.gz SSIZDARIOFRBIY-UKRRQHHQSA-N 2 2 248.370 2.422 20 0 BEADLP C[C@@H](C[NH2+]C1CCCC1)Cn1cc[nH+]c1 ZINC000126852729 590473851 /nfs/dbraw/zinc/47/38/51/590473851.db2.gz NNPWNGNAZDZMLH-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP Cc1conc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252345 590529697 /nfs/dbraw/zinc/52/96/97/590529697.db2.gz JKHXGGSSYQEONT-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1conc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252345 590529699 /nfs/dbraw/zinc/52/96/99/590529699.db2.gz JKHXGGSSYQEONT-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408144 590763024 /nfs/dbraw/zinc/76/30/24/590763024.db2.gz QLKGYXMZQVRGGU-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408144 590763027 /nfs/dbraw/zinc/76/30/27/590763027.db2.gz QLKGYXMZQVRGGU-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccccc1 ZINC000880130225 590930636 /nfs/dbraw/zinc/93/06/36/590930636.db2.gz NGBXXAYIOUPBJW-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccccc1 ZINC000880130225 590930639 /nfs/dbraw/zinc/93/06/39/590930639.db2.gz NGBXXAYIOUPBJW-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000880130225 590930641 /nfs/dbraw/zinc/93/06/41/590930641.db2.gz NGBXXAYIOUPBJW-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000880130225 590930643 /nfs/dbraw/zinc/93/06/43/590930643.db2.gz NGBXXAYIOUPBJW-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132506 590934768 /nfs/dbraw/zinc/93/47/68/590934768.db2.gz POIUATXBLRUSTJ-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132506 590934769 /nfs/dbraw/zinc/93/47/69/590934769.db2.gz POIUATXBLRUSTJ-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000880132506 590934771 /nfs/dbraw/zinc/93/47/71/590934771.db2.gz POIUATXBLRUSTJ-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000880132506 590934772 /nfs/dbraw/zinc/93/47/72/590934772.db2.gz POIUATXBLRUSTJ-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccccc1F ZINC000880133190 590935272 /nfs/dbraw/zinc/93/52/72/590935272.db2.gz ZYBQXVRTFNSDMI-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccccc1F ZINC000880133190 590935274 /nfs/dbraw/zinc/93/52/74/590935274.db2.gz ZYBQXVRTFNSDMI-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC000880133190 590935277 /nfs/dbraw/zinc/93/52/77/590935277.db2.gz ZYBQXVRTFNSDMI-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1F ZINC000880133190 590935278 /nfs/dbraw/zinc/93/52/78/590935278.db2.gz ZYBQXVRTFNSDMI-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2[C@@H]1C=CCCC1 ZINC000880134764 590938493 /nfs/dbraw/zinc/93/84/93/590938493.db2.gz VUOPWBWAQTYGOU-MGPQQGTHSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2[C@@H]1C=CCCC1 ZINC000880134764 590938496 /nfs/dbraw/zinc/93/84/96/590938496.db2.gz VUOPWBWAQTYGOU-MGPQQGTHSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2[C@@H]1C=CCCC1 ZINC000880134764 590938498 /nfs/dbraw/zinc/93/84/98/590938498.db2.gz VUOPWBWAQTYGOU-MGPQQGTHSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2[C@@H]1C=CCCC1 ZINC000880134764 590938500 /nfs/dbraw/zinc/93/85/00/590938500.db2.gz VUOPWBWAQTYGOU-MGPQQGTHSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(F)(F)F ZINC000880134870 590938664 /nfs/dbraw/zinc/93/86/64/590938664.db2.gz WVJPFHTUSLBPPW-NXEZZACHSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(F)(F)F ZINC000880134870 590938666 /nfs/dbraw/zinc/93/86/66/590938666.db2.gz WVJPFHTUSLBPPW-NXEZZACHSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(F)(F)F ZINC000880134870 590938668 /nfs/dbraw/zinc/93/86/68/590938668.db2.gz WVJPFHTUSLBPPW-NXEZZACHSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(F)(F)F ZINC000880134870 590938670 /nfs/dbraw/zinc/93/86/70/590938670.db2.gz WVJPFHTUSLBPPW-NXEZZACHSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141946 590942720 /nfs/dbraw/zinc/94/27/20/590942720.db2.gz LDNRAUPNJKVKHT-RYUDHWBXSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141946 590942718 /nfs/dbraw/zinc/94/27/18/590942718.db2.gz LDNRAUPNJKVKHT-RYUDHWBXSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC000880141946 590942723 /nfs/dbraw/zinc/94/27/23/590942723.db2.gz LDNRAUPNJKVKHT-RYUDHWBXSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC(F)(F)C1 ZINC000880141946 590942724 /nfs/dbraw/zinc/94/27/24/590942724.db2.gz LDNRAUPNJKVKHT-RYUDHWBXSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CC1 ZINC000880141546 590942827 /nfs/dbraw/zinc/94/28/27/590942827.db2.gz QQGTYTNOXGFYRB-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CC1 ZINC000880141546 590942830 /nfs/dbraw/zinc/94/28/30/590942830.db2.gz QQGTYTNOXGFYRB-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CC1 ZINC000880141546 590942834 /nfs/dbraw/zinc/94/28/34/590942834.db2.gz QQGTYTNOXGFYRB-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CC1 ZINC000880141546 590942838 /nfs/dbraw/zinc/94/28/38/590942838.db2.gz QQGTYTNOXGFYRB-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)ccn1 ZINC000880143163 590943747 /nfs/dbraw/zinc/94/37/47/590943747.db2.gz YTDBHDUPUMYOFU-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)ccn1 ZINC000880143163 590943750 /nfs/dbraw/zinc/94/37/50/590943750.db2.gz YTDBHDUPUMYOFU-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)ccn1 ZINC000880143163 590943754 /nfs/dbraw/zinc/94/37/54/590943754.db2.gz YTDBHDUPUMYOFU-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)ccn1 ZINC000880143163 590943757 /nfs/dbraw/zinc/94/37/57/590943757.db2.gz YTDBHDUPUMYOFU-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203568 590957437 /nfs/dbraw/zinc/95/74/37/590957437.db2.gz CTGMGTUHLROHAS-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203568 590957440 /nfs/dbraw/zinc/95/74/40/590957440.db2.gz CTGMGTUHLROHAS-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccccn2)CC1 ZINC000880472628 591054360 /nfs/dbraw/zinc/05/43/60/591054360.db2.gz WCEMMSXYGIEYSQ-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000128899993 591176928 /nfs/dbraw/zinc/17/69/28/591176928.db2.gz NVTMKDWXXIZURB-OAHLLOKOSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000128899993 591176932 /nfs/dbraw/zinc/17/69/32/591176932.db2.gz NVTMKDWXXIZURB-OAHLLOKOSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1[nH+]cnc(N2CCC([NH2+]C(C)C)CC2)c1C ZINC000881907728 591277542 /nfs/dbraw/zinc/27/75/42/591277542.db2.gz GFCYLWIOEDMBQM-UHFFFAOYSA-N 2 2 248.374 2.060 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000882056730 591293384 /nfs/dbraw/zinc/29/33/84/591293384.db2.gz DGPLTPXPAJIQHC-QWHCGFSZSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1[nH+]cnc(N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000882263557 591322289 /nfs/dbraw/zinc/32/22/89/591322289.db2.gz HULIDPFOSDAKHC-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP Cc1[nH+]cnc(N[C@@H](C)C[N@@H+](C)C(C)C)c1C ZINC000882382409 591340696 /nfs/dbraw/zinc/34/06/96/591340696.db2.gz SFEYMWHJGPXNLH-JTQLQIEISA-N 2 2 236.363 2.234 20 0 BEADLP Cc1[nH+]cnc(N[C@@H](C)C[N@H+](C)C(C)C)c1C ZINC000882382409 591340691 /nfs/dbraw/zinc/34/06/91/591340691.db2.gz SFEYMWHJGPXNLH-JTQLQIEISA-N 2 2 236.363 2.234 20 0 BEADLP Cc1[nH+]cnc(NCC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000882444704 591349883 /nfs/dbraw/zinc/34/98/83/591349883.db2.gz TWYYCBUWSPZVSQ-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NCC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000882444704 591349886 /nfs/dbraw/zinc/34/98/86/591349886.db2.gz TWYYCBUWSPZVSQ-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NCC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000882444703 591349907 /nfs/dbraw/zinc/34/99/07/591349907.db2.gz TWYYCBUWSPZVSQ-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NCC[C@H]2CCC[N@H+](C)C2)c1C ZINC000882444703 591349909 /nfs/dbraw/zinc/34/99/09/591349909.db2.gz TWYYCBUWSPZVSQ-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NC2CCC([NH+](C)C)CC2)c1C ZINC000882471983 591353757 /nfs/dbraw/zinc/35/37/57/591353757.db2.gz JUCBYZKHCMDHNZ-UHFFFAOYSA-N 2 2 248.374 2.378 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000883251345 591593069 /nfs/dbraw/zinc/59/30/69/591593069.db2.gz LJFOIYHORBJQHM-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000883251345 591593070 /nfs/dbraw/zinc/59/30/70/591593070.db2.gz LJFOIYHORBJQHM-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CCc1ccc(NCc2c[nH+]c(C)n2C)[nH+]c1 ZINC000883384000 591638839 /nfs/dbraw/zinc/63/88/39/591638839.db2.gz KCTXCHZCWITGMY-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438484 591659888 /nfs/dbraw/zinc/65/98/88/591659888.db2.gz UIVHTCINBGANIO-OUAUKWLOSA-N 2 2 232.318 2.233 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438484 591659891 /nfs/dbraw/zinc/65/98/91/591659891.db2.gz UIVHTCINBGANIO-OUAUKWLOSA-N 2 2 232.318 2.233 20 0 BEADLP C=C/C=C\CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435486 591665799 /nfs/dbraw/zinc/66/57/99/591665799.db2.gz UPLRZILSFVKDOE-ARJAWSKDSA-N 2 2 220.360 2.322 20 0 BEADLP C=C/C=C\CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435486 591665800 /nfs/dbraw/zinc/66/58/00/591665800.db2.gz UPLRZILSFVKDOE-ARJAWSKDSA-N 2 2 220.360 2.322 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)nc1 ZINC000883454381 591672099 /nfs/dbraw/zinc/67/20/99/591672099.db2.gz ZFAQVLOEXNCUDY-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)nc1 ZINC000883454381 591672103 /nfs/dbraw/zinc/67/21/03/591672103.db2.gz ZFAQVLOEXNCUDY-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP c1csc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000133264898 591781854 /nfs/dbraw/zinc/78/18/54/591781854.db2.gz OPEBYUZHWKJJEC-NEPJUHHUSA-N 2 2 236.384 2.117 20 0 BEADLP c1csc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000133264898 591781855 /nfs/dbraw/zinc/78/18/55/591781855.db2.gz OPEBYUZHWKJJEC-NEPJUHHUSA-N 2 2 236.384 2.117 20 0 BEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCCCCC1 ZINC000133420072 591789743 /nfs/dbraw/zinc/78/97/43/591789743.db2.gz NYLPHDGHUJNNHU-GXTWGEPZSA-N 2 2 240.391 2.066 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133531109 591820806 /nfs/dbraw/zinc/82/08/06/591820806.db2.gz WEKNJFQEJLFKBL-MELADBBJSA-N 2 2 242.407 2.312 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134062365 591880556 /nfs/dbraw/zinc/88/05/56/591880556.db2.gz UUVQMTQVNKOYCF-SRVKXCTJSA-N 2 2 242.432 2.343 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134062365 591880557 /nfs/dbraw/zinc/88/05/57/591880557.db2.gz UUVQMTQVNKOYCF-SRVKXCTJSA-N 2 2 242.432 2.343 20 0 BEADLP CCc1nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc[nH+]1 ZINC000884552106 591976278 /nfs/dbraw/zinc/97/62/78/591976278.db2.gz RRKBKLQXFHXATG-NSHDSACASA-N 2 2 248.374 2.324 20 0 BEADLP CCc1nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000884552106 591976279 /nfs/dbraw/zinc/97/62/79/591976279.db2.gz RRKBKLQXFHXATG-NSHDSACASA-N 2 2 248.374 2.324 20 0 BEADLP C[C@@H](C[NH2+]C/C=C/c1cccc(F)c1)[NH+](C)C ZINC000885968931 592118000 /nfs/dbraw/zinc/11/80/00/592118000.db2.gz FEHGKKWCZSWMAO-PZBABLGHSA-N 2 2 236.334 2.379 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000886170036 592168610 /nfs/dbraw/zinc/16/86/10/592168610.db2.gz NRFXXUABDBONEW-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000886170036 592168611 /nfs/dbraw/zinc/16/86/11/592168611.db2.gz NRFXXUABDBONEW-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccncc1 ZINC000075861534 592313437 /nfs/dbraw/zinc/31/34/37/592313437.db2.gz QKPKOOZXETWDJF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccncc1 ZINC000075861534 592313442 /nfs/dbraw/zinc/31/34/42/592313442.db2.gz QKPKOOZXETWDJF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccncc1 ZINC000075861534 592313448 /nfs/dbraw/zinc/31/34/48/592313448.db2.gz QKPKOOZXETWDJF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccncc1 ZINC000075861534 592313454 /nfs/dbraw/zinc/31/34/54/592313454.db2.gz QKPKOOZXETWDJF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813998 592334194 /nfs/dbraw/zinc/33/41/94/592334194.db2.gz ZMBSFNBTOUBSMP-YPMHNXCESA-N 2 2 208.349 2.025 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813998 592334197 /nfs/dbraw/zinc/33/41/97/592334197.db2.gz ZMBSFNBTOUBSMP-YPMHNXCESA-N 2 2 208.349 2.025 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000886877400 592380004 /nfs/dbraw/zinc/38/00/04/592380004.db2.gz DDPJCMFQLQAVTR-BFHYXJOUSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000886877400 592380008 /nfs/dbraw/zinc/38/00/08/592380008.db2.gz DDPJCMFQLQAVTR-BFHYXJOUSA-N 2 2 240.391 2.005 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639549 634576533 /nfs/dbraw/zinc/57/65/33/634576533.db2.gz HUDGFPBTWASJNK-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639549 634576541 /nfs/dbraw/zinc/57/65/41/634576541.db2.gz HUDGFPBTWASJNK-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639549 634576546 /nfs/dbraw/zinc/57/65/46/634576546.db2.gz HUDGFPBTWASJNK-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639549 634576552 /nfs/dbraw/zinc/57/65/52/634576552.db2.gz HUDGFPBTWASJNK-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C(C)C ZINC000054111306 635394049 /nfs/dbraw/zinc/39/40/49/635394049.db2.gz SBHONUWEVQZYOU-GFCCVEGCSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C(C)C ZINC000054111306 635394057 /nfs/dbraw/zinc/39/40/57/635394057.db2.gz SBHONUWEVQZYOU-GFCCVEGCSA-N 2 2 200.370 2.351 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000925832787 635475401 /nfs/dbraw/zinc/47/54/01/635475401.db2.gz FCJXNXMWNRTKAI-UONOGXRCSA-N 2 2 247.386 2.448 20 0 BEADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@]2(C)C1 ZINC000933733132 631495080 /nfs/dbraw/zinc/49/50/80/631495080.db2.gz ALXUKEHIPUJAGX-OLZOCXBDSA-N 2 2 236.384 2.132 20 0 BEADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@]2(C)C1 ZINC000933733132 631495083 /nfs/dbraw/zinc/49/50/83/631495083.db2.gz ALXUKEHIPUJAGX-OLZOCXBDSA-N 2 2 236.384 2.132 20 0 BEADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@]2(C)C1 ZINC000933733132 631495090 /nfs/dbraw/zinc/49/50/90/631495090.db2.gz ALXUKEHIPUJAGX-OLZOCXBDSA-N 2 2 236.384 2.132 20 0 BEADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@]2(C)C1 ZINC000933733132 631495096 /nfs/dbraw/zinc/49/50/96/631495096.db2.gz ALXUKEHIPUJAGX-OLZOCXBDSA-N 2 2 236.384 2.132 20 0 BEADLP CCc1ccccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000309058694 631833292 /nfs/dbraw/zinc/83/32/92/631833292.db2.gz UTSWMZFZUQARHK-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000309058694 631833293 /nfs/dbraw/zinc/83/32/93/631833293.db2.gz UTSWMZFZUQARHK-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1C1CC1 ZINC000309406043 632049814 /nfs/dbraw/zinc/04/98/14/632049814.db2.gz IADABOFZTIUFDJ-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1C1CC1 ZINC000309406043 632049818 /nfs/dbraw/zinc/04/98/18/632049818.db2.gz IADABOFZTIUFDJ-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccccn1)C1CC1 ZINC000924904279 635759230 /nfs/dbraw/zinc/75/92/30/635759230.db2.gz PNIVYHMLCKPGRO-ZDUSSCGKSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccccn1)C1CC1 ZINC000924904279 635759234 /nfs/dbraw/zinc/75/92/34/635759234.db2.gz PNIVYHMLCKPGRO-ZDUSSCGKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H]1C ZINC000309559210 632496383 /nfs/dbraw/zinc/49/63/83/632496383.db2.gz KNCXWROZMDEORD-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H]1C ZINC000309559210 632496386 /nfs/dbraw/zinc/49/63/86/632496386.db2.gz KNCXWROZMDEORD-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC1 ZINC000309732687 632663055 /nfs/dbraw/zinc/66/30/55/632663055.db2.gz BMKPAWHAEQEAMQ-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC1 ZINC000309732687 632663060 /nfs/dbraw/zinc/66/30/60/632663060.db2.gz BMKPAWHAEQEAMQ-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP c1cc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)co1 ZINC000926699905 632836561 /nfs/dbraw/zinc/83/65/61/632836561.db2.gz BLNPLDZHFYWQFZ-CABCVRRESA-N 2 2 248.370 2.429 20 0 BEADLP c1cc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)co1 ZINC000926699905 632836563 /nfs/dbraw/zinc/83/65/63/632836563.db2.gz BLNPLDZHFYWQFZ-CABCVRRESA-N 2 2 248.370 2.429 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccoc1 ZINC000163787878 635863891 /nfs/dbraw/zinc/86/38/91/635863891.db2.gz KNCROUVBAZIZAQ-UHFFFAOYSA-N 2 2 210.321 2.100 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccoc1 ZINC000163787878 635863895 /nfs/dbraw/zinc/86/38/95/635863895.db2.gz KNCROUVBAZIZAQ-UHFFFAOYSA-N 2 2 210.321 2.100 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000309710898 633230650 /nfs/dbraw/zinc/23/06/50/633230650.db2.gz XCKJANXDTDMXSF-IYXRBSQSSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000309710898 633230659 /nfs/dbraw/zinc/23/06/59/633230659.db2.gz XCKJANXDTDMXSF-IYXRBSQSSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000309770467 634004120 /nfs/dbraw/zinc/00/41/20/634004120.db2.gz KJCBWMJEAGNACZ-KPPDAEKUSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000309770467 634004123 /nfs/dbraw/zinc/00/41/23/634004123.db2.gz KJCBWMJEAGNACZ-KPPDAEKUSA-N 2 2 232.318 2.104 20 0 BEADLP Cc1nc(C[NH2+]C[C@H](C)C[NH+](C)C)sc1C ZINC000309795971 634010865 /nfs/dbraw/zinc/01/08/65/634010865.db2.gz VJSLRZQHHPPMHQ-VIFPVBQESA-N 2 2 241.404 2.047 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000925583164 634088356 /nfs/dbraw/zinc/08/83/56/634088356.db2.gz JQESXAUTLBUGLR-DOMZBBRYSA-N 2 2 248.370 2.234 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000925583165 634089467 /nfs/dbraw/zinc/08/94/67/634089467.db2.gz JQESXAUTLBUGLR-IUODEOHRSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CCC1)c1ccccc1 ZINC000925597963 634117927 /nfs/dbraw/zinc/11/79/27/634117927.db2.gz ZHUOJJIMWNOVHH-ZWNOBZJWSA-N 2 2 204.317 2.217 20 0 BEADLP CC(C)CC(CC(C)C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925602989 634131608 /nfs/dbraw/zinc/13/16/08/634131608.db2.gz YQRMDPVLMZOKLS-AWEZNQCLSA-N 2 2 242.407 2.025 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000310064257 634133743 /nfs/dbraw/zinc/13/37/43/634133743.db2.gz AQENFCPIFSGEOX-LBPRGKRZSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000310064257 634133748 /nfs/dbraw/zinc/13/37/48/634133748.db2.gz AQENFCPIFSGEOX-LBPRGKRZSA-N 2 2 242.313 2.409 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343190 634168564 /nfs/dbraw/zinc/16/85/64/634168564.db2.gz RMQXDKNCDQAVDK-NSHDSACASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343190 634168569 /nfs/dbraw/zinc/16/85/69/634168569.db2.gz RMQXDKNCDQAVDK-NSHDSACASA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@@H](C)[NH+](C)C)cc1C ZINC000893344994 634234968 /nfs/dbraw/zinc/23/49/68/634234968.db2.gz RDJPSBGANMKBKU-CQSZACIVSA-N 2 2 234.387 2.386 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc21)[NH+](C)C ZINC000893345768 634235806 /nfs/dbraw/zinc/23/58/06/634235806.db2.gz XBYXFYTWPSFINS-GXTWGEPZSA-N 2 2 232.371 2.256 20 0 BEADLP CC[C@@H](C[NH2+]C[C@H]1CCC=CO1)[NH+]1CCCC1 ZINC000194202162 634310435 /nfs/dbraw/zinc/31/04/35/634310435.db2.gz OTNCPLJOOBZSGT-UONOGXRCSA-N 2 2 238.375 2.143 20 0 BEADLP CC[C@H](C[NH2+]C[C@H]1CCC=CO1)[NH+]1CCCC1 ZINC000194202177 634310805 /nfs/dbraw/zinc/31/08/05/634310805.db2.gz OTNCPLJOOBZSGT-ZIAGYGMSSA-N 2 2 238.375 2.143 20 0 BEADLP [NH3+][C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C12CCC2 ZINC000925690202 634312336 /nfs/dbraw/zinc/31/23/36/634312336.db2.gz GEBHCMGZMAVAND-ZIAGYGMSSA-N 2 2 243.354 2.336 20 0 BEADLP C[C@H](C[NH2+]Cc1ccsc1)Cn1cc[nH+]c1 ZINC000067500696 636269849 /nfs/dbraw/zinc/26/98/49/636269849.db2.gz MIKJBNALESIFER-LLVKDONJSA-N 2 2 235.356 2.371 20 0 BEADLP C[C@H](C[NH2+]CC(C)(C)C)[NH+]1CCCCC1 ZINC000041051452 636958699 /nfs/dbraw/zinc/95/86/99/636958699.db2.gz LUJJXGSFVQNWAK-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](C[NH2+]CC(C)(C)C)[NH+]1CCCCC1 ZINC000041051451 636959495 /nfs/dbraw/zinc/95/94/95/636959495.db2.gz LUJJXGSFVQNWAK-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP COCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924685672 636992532 /nfs/dbraw/zinc/99/25/32/636992532.db2.gz QRLQZSKXZQBIOC-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924685672 636992537 /nfs/dbraw/zinc/99/25/37/636992537.db2.gz QRLQZSKXZQBIOC-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ncco1 ZINC000924732347 637040560 /nfs/dbraw/zinc/04/05/60/637040560.db2.gz NGBOZJQCBNWOLE-NSHDSACASA-N 2 2 234.303 2.002 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000904469868 637424023 /nfs/dbraw/zinc/42/40/23/637424023.db2.gz PXXDJVMMSJLCMA-UHFFFAOYSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000904469868 637424032 /nfs/dbraw/zinc/42/40/32/637424032.db2.gz PXXDJVMMSJLCMA-UHFFFAOYSA-N 2 2 244.382 2.487 20 0 BEADLP Cn1c[nH+]cc1CNc1ccc(C(C)(C)[NH3+])cc1 ZINC000904470564 637425052 /nfs/dbraw/zinc/42/50/52/637425052.db2.gz LZIDPUWATWDSFY-UHFFFAOYSA-N 2 2 244.342 2.226 20 0 BEADLP CCCC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000906527430 638191768 /nfs/dbraw/zinc/19/17/68/638191768.db2.gz JMYIZKRNHVTQNK-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000906527430 638191773 /nfs/dbraw/zinc/19/17/73/638191773.db2.gz JMYIZKRNHVTQNK-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000931036787 640031081 /nfs/dbraw/zinc/03/10/81/640031081.db2.gz DZPJCKRBQXSNLQ-DZGCQCFKSA-N 2 2 247.386 2.223 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]21 ZINC000931282873 640137322 /nfs/dbraw/zinc/13/73/22/640137322.db2.gz LRNIFZFEDJEDKJ-JUEOWPBDSA-N 2 2 242.366 2.192 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]21 ZINC000931282873 640137326 /nfs/dbraw/zinc/13/73/26/640137326.db2.gz LRNIFZFEDJEDKJ-JUEOWPBDSA-N 2 2 242.366 2.192 20 0 BEADLP CC1CC(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000931622833 640293725 /nfs/dbraw/zinc/29/37/25/640293725.db2.gz STMKWIKXEBTKJN-HOAMVYINSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000931622833 640293738 /nfs/dbraw/zinc/29/37/38/640293738.db2.gz STMKWIKXEBTKJN-HOAMVYINSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000931622833 640293745 /nfs/dbraw/zinc/29/37/45/640293745.db2.gz STMKWIKXEBTKJN-HOAMVYINSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000931622833 640293761 /nfs/dbraw/zinc/29/37/61/640293761.db2.gz STMKWIKXEBTKJN-HOAMVYINSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720176 640339011 /nfs/dbraw/zinc/33/90/11/640339011.db2.gz OPQGCCAKHGTZBE-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720176 640339004 /nfs/dbraw/zinc/33/90/04/640339004.db2.gz OPQGCCAKHGTZBE-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720176 640339018 /nfs/dbraw/zinc/33/90/18/640339018.db2.gz OPQGCCAKHGTZBE-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720176 640339024 /nfs/dbraw/zinc/33/90/24/640339024.db2.gz OPQGCCAKHGTZBE-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000054770365 640411068 /nfs/dbraw/zinc/41/10/68/640411068.db2.gz YGJPZKNTYRQNON-UHFFFAOYSA-N 2 2 239.388 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000224322370 640612254 /nfs/dbraw/zinc/61/22/54/640612254.db2.gz NLNRCSLCMVQCKM-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000224322370 640612252 /nfs/dbraw/zinc/61/22/52/640612252.db2.gz NLNRCSLCMVQCKM-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)C ZINC000168418293 640804825 /nfs/dbraw/zinc/80/48/25/640804825.db2.gz NLNRCSLCMVQCKM-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)C ZINC000168418293 640804827 /nfs/dbraw/zinc/80/48/27/640804827.db2.gz NLNRCSLCMVQCKM-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP [NH3+]CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000059511416 640814845 /nfs/dbraw/zinc/81/48/45/640814845.db2.gz KTHQZFHVTLNKLU-UHFFFAOYSA-N 2 2 236.334 2.039 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)o1 ZINC000062254590 641030074 /nfs/dbraw/zinc/03/00/74/641030074.db2.gz ZPSQREPNSNTPCT-NSHDSACASA-N 2 2 233.315 2.210 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849407 641117734 /nfs/dbraw/zinc/11/77/34/641117734.db2.gz DTORBMYLCYFYDP-NWDGAFQWSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)C[Si](C)(C)C)CC[N@H+]1C ZINC000172849407 641117724 /nfs/dbraw/zinc/11/77/24/641117724.db2.gz DTORBMYLCYFYDP-NWDGAFQWSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849407 641117728 /nfs/dbraw/zinc/11/77/28/641117728.db2.gz DTORBMYLCYFYDP-NWDGAFQWSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)C[Si](C)(C)C)CC[N@@H+]1C ZINC000172849407 641117721 /nfs/dbraw/zinc/11/77/21/641117721.db2.gz DTORBMYLCYFYDP-NWDGAFQWSA-N 2 2 228.456 2.278 20 0 BEADLP CCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000044383216 641598126 /nfs/dbraw/zinc/59/81/26/641598126.db2.gz JTNCLLQEFMWAKK-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000076003413 641785627 /nfs/dbraw/zinc/78/56/27/641785627.db2.gz SCUBPZPEJFITGF-HOSRBBHYSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000076003413 641785620 /nfs/dbraw/zinc/78/56/20/641785620.db2.gz SCUBPZPEJFITGF-HOSRBBHYSA-N 2 2 230.783 2.403 20 0 BEADLP CC[C@@H](c1ccccc1)[N@H+](C)CC[NH2+]C ZINC000069800841 642914315 /nfs/dbraw/zinc/91/43/15/642914315.db2.gz RODZVCUJQJZRFE-ZDUSSCGKSA-N 2 2 206.333 2.289 20 0 BEADLP CC[C@@H](c1ccccc1)[N@@H+](C)CC[NH2+]C ZINC000069800841 642914323 /nfs/dbraw/zinc/91/43/23/642914323.db2.gz RODZVCUJQJZRFE-ZDUSSCGKSA-N 2 2 206.333 2.289 20 0 BEADLP CC(C)c1[nH+]ccn1CC[NH+]1CCCC1 ZINC000070423106 643024853 /nfs/dbraw/zinc/02/48/53/643024853.db2.gz LJOITARLCCCIEI-UHFFFAOYSA-N 2 2 207.321 2.102 20 0 BEADLP CC[N@H+](Cc1ccc(C)cc1C)[C@H]1CC[NH2+]C1 ZINC000071312066 643121343 /nfs/dbraw/zinc/12/13/43/643121343.db2.gz HTIKHMYIUSKFAT-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1ccc(C)cc1C)[C@H]1CC[NH2+]C1 ZINC000071312066 643121349 /nfs/dbraw/zinc/12/13/49/643121349.db2.gz HTIKHMYIUSKFAT-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000923295620 644333221 /nfs/dbraw/zinc/33/32/21/644333221.db2.gz ZJMVKSKAXFIAMW-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000923295620 644333224 /nfs/dbraw/zinc/33/32/24/644333224.db2.gz ZJMVKSKAXFIAMW-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC1(C)C[N@H+](CCC[NH2+]C2CC2)C(C)(C)CO1 ZINC000923316319 644345005 /nfs/dbraw/zinc/34/50/05/644345005.db2.gz OCHHNTRYDKUPSL-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CC1(C)C[N@@H+](CCC[NH2+]C2CC2)C(C)(C)CO1 ZINC000923316319 644345011 /nfs/dbraw/zinc/34/50/11/644345011.db2.gz OCHHNTRYDKUPSL-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP FCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533623 644490590 /nfs/dbraw/zinc/49/05/90/644490590.db2.gz MAJXDVWMBZAWCM-ZDUSSCGKSA-N 2 2 228.355 2.344 20 0 BEADLP FCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923533623 644490592 /nfs/dbraw/zinc/49/05/92/644490592.db2.gz MAJXDVWMBZAWCM-ZDUSSCGKSA-N 2 2 228.355 2.344 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C(F)F)C1)[NH+]1CCCCC1 ZINC000769491518 644682578 /nfs/dbraw/zinc/68/25/78/644682578.db2.gz PGMZVSJQXGZCHM-UNXYVOJBSA-N 2 2 246.345 2.494 20 0 BEADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)co1 ZINC000093598071 644696656 /nfs/dbraw/zinc/69/66/56/644696656.db2.gz ZHCBUNQFXPBGGM-ZDUSSCGKSA-N 2 2 234.343 2.197 20 0 BEADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)co1 ZINC000093598071 644696658 /nfs/dbraw/zinc/69/66/58/644696658.db2.gz ZHCBUNQFXPBGGM-ZDUSSCGKSA-N 2 2 234.343 2.197 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093742404 644698878 /nfs/dbraw/zinc/69/88/78/644698878.db2.gz MSRSUVDZLYYRHV-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093742404 644698879 /nfs/dbraw/zinc/69/88/79/644698879.db2.gz MSRSUVDZLYYRHV-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093742404 644698883 /nfs/dbraw/zinc/69/88/83/644698883.db2.gz MSRSUVDZLYYRHV-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093742404 644698887 /nfs/dbraw/zinc/69/88/87/644698887.db2.gz MSRSUVDZLYYRHV-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP C[C@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)[NH+](C)C ZINC000925494605 645924279 /nfs/dbraw/zinc/92/42/79/645924279.db2.gz KPXMDYGPIKHYNU-HIFRSBDPSA-N 3 2 249.402 2.006 20 0 BEADLP CC(C)c1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)on1 ZINC000925498619 645932553 /nfs/dbraw/zinc/93/25/53/645932553.db2.gz HKTOEIPHMGXPPE-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP CCOCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924523937 646046500 /nfs/dbraw/zinc/04/65/00/646046500.db2.gz CZKZOSPZGDBHHA-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CCOCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924523937 646046507 /nfs/dbraw/zinc/04/65/07/646046507.db2.gz CZKZOSPZGDBHHA-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924531191 646050217 /nfs/dbraw/zinc/05/02/17/646050217.db2.gz JVHOREGZSSULCN-STQMWFEESA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924531191 646050220 /nfs/dbraw/zinc/05/02/20/646050220.db2.gz JVHOREGZSSULCN-STQMWFEESA-N 2 2 210.365 2.393 20 0 BEADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC[NH+](CC)CC ZINC000924542823 646061348 /nfs/dbraw/zinc/06/13/48/646061348.db2.gz OMQUITCPAMIODS-KBPBESRZSA-N 2 2 244.423 2.248 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)[NH+](C)C ZINC000924957383 646141360 /nfs/dbraw/zinc/14/13/60/646141360.db2.gz LOGOQFUTOMYBIQ-JQWIXIFHSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH2+][C@H](C1CC1)C(C)(C)C)[NH+](C)C ZINC000924957385 646142428 /nfs/dbraw/zinc/14/24/28/646142428.db2.gz LOGOQFUTOMYBIQ-ZYHUDNBSSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCOC12CCCCC2)[NH+](C)C ZINC000924959823 646144822 /nfs/dbraw/zinc/14/48/22/646144822.db2.gz XBDUWIZTERHZBM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CSCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925092983 646182171 /nfs/dbraw/zinc/18/21/71/646182171.db2.gz FSVQIRQMZPJTJS-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CSCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925092983 646182174 /nfs/dbraw/zinc/18/21/74/646182174.db2.gz FSVQIRQMZPJTJS-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ncco1 ZINC000925232247 646216334 /nfs/dbraw/zinc/21/63/34/646216334.db2.gz LUIMFCABMZNGNS-LLVKDONJSA-N 2 2 246.314 2.222 20 0 BEADLP C1=CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000925268833 646225027 /nfs/dbraw/zinc/22/50/27/646225027.db2.gz BTQVKSWQNSMBGL-KGLIPLIRSA-N 2 2 220.360 2.312 20 0 BEADLP C1=CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000925268833 646225031 /nfs/dbraw/zinc/22/50/31/646225031.db2.gz BTQVKSWQNSMBGL-KGLIPLIRSA-N 2 2 220.360 2.312 20 0 BEADLP C(CC1CC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925482532 646294950 /nfs/dbraw/zinc/29/49/50/646294950.db2.gz VSJSQAMPALUONT-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925482532 646294957 /nfs/dbraw/zinc/29/49/57/646294957.db2.gz VSJSQAMPALUONT-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP COC/C(C)=C\C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803053 646328231 /nfs/dbraw/zinc/32/82/31/646328231.db2.gz AWOCNGNZQLKEKE-DXNYSGJVSA-N 2 2 249.358 2.113 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]CCOCC1CC1)c1ccccc1 ZINC000925557329 646334002 /nfs/dbraw/zinc/33/40/02/646334002.db2.gz OMFUNITYWUDOIZ-WFASDCNBSA-N 2 2 248.370 2.091 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c(C)c1 ZINC000925582901 646346609 /nfs/dbraw/zinc/34/66/09/646346609.db2.gz IRIFSPNQFKMVLN-AWEZNQCLSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925582960 646347205 /nfs/dbraw/zinc/34/72/05/646347205.db2.gz CGBSXHFNRRTMJP-AWEZNQCLSA-N 2 2 248.370 2.104 20 0 BEADLP COC/C(C)=C/C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992158 646387865 /nfs/dbraw/zinc/38/78/65/646387865.db2.gz NARURACTYHWVSZ-YQJFHSMKSA-N 2 2 249.358 2.182 20 0 BEADLP COC/C(C)=C/C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992158 646387869 /nfs/dbraw/zinc/38/78/69/646387869.db2.gz NARURACTYHWVSZ-YQJFHSMKSA-N 2 2 249.358 2.182 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000925669627 646401481 /nfs/dbraw/zinc/40/14/81/646401481.db2.gz CPEFTFPZPSNVIL-IUCAKERBSA-N 2 2 236.281 2.059 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000925676884 646405038 /nfs/dbraw/zinc/40/50/38/646405038.db2.gz MGTKSKGSBDPYLG-LOWVWBTDSA-N 2 2 224.323 2.413 20 0 BEADLP CC[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])OC ZINC000925676525 646405695 /nfs/dbraw/zinc/40/56/95/646405695.db2.gz NLHPIABCYJYLBS-BNOWGMLFSA-N 2 2 236.359 2.090 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000925684945 646411175 /nfs/dbraw/zinc/41/11/75/646411175.db2.gz FDLDQBVIPWAOOB-DRZSPHRISA-N 2 2 218.344 2.463 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000925732759 646455342 /nfs/dbraw/zinc/45/53/42/646455342.db2.gz CUSMLGPQGRYAFC-MJBXVCDLSA-N 2 2 242.407 2.169 20 0 BEADLP Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)c[nH+]c1C ZINC000925768192 646468187 /nfs/dbraw/zinc/46/81/87/646468187.db2.gz IFGQFMJBRAMVES-DGCLKSJQSA-N 2 2 219.332 2.251 20 0 BEADLP Cc1cc(N[C@H]2CC[NH2+]C2(C)C)c[nH+]c1C ZINC000925768268 646468478 /nfs/dbraw/zinc/46/84/78/646468478.db2.gz IQFSEXDMNOYKMY-LBPRGKRZSA-N 2 2 219.332 2.251 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000925781807 646479689 /nfs/dbraw/zinc/47/96/89/646479689.db2.gz GLQZYKBWOMLXCH-KCPJHIHWSA-N 2 2 230.355 2.335 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000925784233 646481496 /nfs/dbraw/zinc/48/14/96/646481496.db2.gz QSODBFIRCJVNLY-DRABBMOASA-N 2 2 230.355 2.117 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000925784234 646481579 /nfs/dbraw/zinc/48/15/79/646481579.db2.gz QSODBFIRCJVNLY-FKGLVLAHSA-N 2 2 230.355 2.117 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H](C)C1 ZINC000925929240 646544094 /nfs/dbraw/zinc/54/40/94/646544094.db2.gz LGMPFIHNDFYKRX-AHDPXTMNSA-N 2 2 234.387 2.271 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H](C)C1 ZINC000925929240 646544102 /nfs/dbraw/zinc/54/41/02/646544102.db2.gz LGMPFIHNDFYKRX-AHDPXTMNSA-N 2 2 234.387 2.271 20 0 BEADLP CC(C)OCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926155405 646585225 /nfs/dbraw/zinc/58/52/25/646585225.db2.gz NPAVTXKRSQSMDV-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926155405 646585228 /nfs/dbraw/zinc/58/52/28/646585228.db2.gz NPAVTXKRSQSMDV-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926155404 646585808 /nfs/dbraw/zinc/58/58/08/646585808.db2.gz NPAVTXKRSQSMDV-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926155404 646585811 /nfs/dbraw/zinc/58/58/11/646585811.db2.gz NPAVTXKRSQSMDV-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCC1 ZINC000926236632 646603110 /nfs/dbraw/zinc/60/31/10/646603110.db2.gz CTIFILQINSUYCM-BFHYXJOUSA-N 2 2 234.387 2.415 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000926448768 646639471 /nfs/dbraw/zinc/63/94/71/646639471.db2.gz BIHBKJONYQCUEH-KZVDOYCCSA-N 2 2 243.354 2.211 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(Cl)CC1 ZINC000926450467 646641518 /nfs/dbraw/zinc/64/15/18/646641518.db2.gz NASSAIWJTXRFFM-RKDXNWHRSA-N 2 2 239.750 2.017 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccns1 ZINC000715920757 711561759 /nfs/dbraw/zinc/56/17/59/711561759.db2.gz NYCJLJZFLFXNBK-VHSXEESVSA-N 2 2 227.377 2.134 20 0 BEADLP CC(C)(C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000040494967 711691759 /nfs/dbraw/zinc/69/17/59/711691759.db2.gz GIFQCMZMVPUIKX-GFCCVEGCSA-N 2 2 206.333 2.322 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148027 712285445 /nfs/dbraw/zinc/28/54/45/712285445.db2.gz UHDIAACEPJFHMH-WDNDVIMCSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@H+](C/C=C\Cl)C1(C[NH3+])CCCCC1 ZINC000713344817 712458490 /nfs/dbraw/zinc/45/84/90/712458490.db2.gz QHUDEQOLLNYBAZ-YVMONPNESA-N 2 2 216.756 2.332 20 0 BEADLP C[N@@H+](C/C=C\Cl)C1(C[NH3+])CCCCC1 ZINC000713344817 712458491 /nfs/dbraw/zinc/45/84/91/712458491.db2.gz QHUDEQOLLNYBAZ-YVMONPNESA-N 2 2 216.756 2.332 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000713956340 712475082 /nfs/dbraw/zinc/47/50/82/712475082.db2.gz AHZBFXNNJKFQRS-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC1(C)C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714351299 712483539 /nfs/dbraw/zinc/48/35/39/712483539.db2.gz YRIDXYSOIDXIMO-NEPJUHHUSA-N 2 2 240.391 2.003 20 0 BEADLP CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714351299 712483540 /nfs/dbraw/zinc/48/35/40/712483540.db2.gz YRIDXYSOIDXIMO-NEPJUHHUSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)C1CC1 ZINC000037154066 712549802 /nfs/dbraw/zinc/54/98/02/712549802.db2.gz VKXLRCBKSWRGTA-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+][C@H]1C[N@H+](CC2CC=CC2)CC[C@H]1C(F)(F)F ZINC000716998747 712602988 /nfs/dbraw/zinc/60/29/88/712602988.db2.gz LBQNSWABTRFQQK-MNOVXSKESA-N 2 2 248.292 2.164 20 0 BEADLP [NH3+][C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1C(F)(F)F ZINC000716998747 712602989 /nfs/dbraw/zinc/60/29/89/712602989.db2.gz LBQNSWABTRFQQK-MNOVXSKESA-N 2 2 248.292 2.164 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000718036100 712737235 /nfs/dbraw/zinc/73/72/35/712737235.db2.gz OMPJWSXAVFPKEK-NEPJUHHUSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000718036100 712737237 /nfs/dbraw/zinc/73/72/37/712737237.db2.gz OMPJWSXAVFPKEK-NEPJUHHUSA-N 2 2 222.332 2.160 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCC(C)(F)F ZINC000718578402 712775661 /nfs/dbraw/zinc/77/56/61/712775661.db2.gz GHIDZMSHSMMQDX-NSHDSACASA-N 2 2 234.334 2.496 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCC(C)(F)F ZINC000718578402 712775662 /nfs/dbraw/zinc/77/56/62/712775662.db2.gz GHIDZMSHSMMQDX-NSHDSACASA-N 2 2 234.334 2.496 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718862431 712786582 /nfs/dbraw/zinc/78/65/82/712786582.db2.gz VZCXBURXBSHRBZ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)s1 ZINC000720745425 712863277 /nfs/dbraw/zinc/86/32/77/712863277.db2.gz BFWPBYWYUONENH-NSHDSACASA-N 2 2 224.373 2.226 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)s1 ZINC000720745425 712863278 /nfs/dbraw/zinc/86/32/78/712863278.db2.gz BFWPBYWYUONENH-NSHDSACASA-N 2 2 224.373 2.226 20 0 BEADLP CC(C)(C)CC[N@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720895735 712876582 /nfs/dbraw/zinc/87/65/82/712876582.db2.gz BZPRQYBNMNFYAQ-RKDXNWHRSA-N 2 2 238.297 2.244 20 0 BEADLP CC(C)(C)CC[N@@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720895735 712876584 /nfs/dbraw/zinc/87/65/84/712876584.db2.gz BZPRQYBNMNFYAQ-RKDXNWHRSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)[NH+](C)C ZINC000723601190 710729232 /nfs/dbraw/zinc/72/92/32/710729232.db2.gz CBRUESMFQAEPNU-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccccc1OCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385152342 711005762 /nfs/dbraw/zinc/00/57/62/711005762.db2.gz DELPZWSGPYDNRE-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1OCC[N@H+](C)C1(C[NH3+])CCC1 ZINC000385152342 711005768 /nfs/dbraw/zinc/00/57/68/711005768.db2.gz DELPZWSGPYDNRE-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP CSC(C)(C)CC[NH2+]C[C@H](C)[NH+](C)C ZINC000385252260 711009127 /nfs/dbraw/zinc/00/91/27/711009127.db2.gz SOLWBIISZUPUBR-JTQLQIEISA-N 2 2 218.410 2.058 20 0 BEADLP CSC(C)(C)CC[NH2+]CCn1cc[nH+]c1 ZINC000385274450 711009873 /nfs/dbraw/zinc/00/98/73/711009873.db2.gz YFUCIRZLKFVLHV-UHFFFAOYSA-N 2 2 227.377 2.004 20 0 BEADLP C[N@H+](CCc1cccs1)C[C@@H]([NH3+])CC(F)F ZINC000380617421 712902167 /nfs/dbraw/zinc/90/21/67/712902167.db2.gz ZRPWQRLVNYRURA-VIFPVBQESA-N 2 2 248.342 2.205 20 0 BEADLP C[N@@H+](CCc1cccs1)C[C@@H]([NH3+])CC(F)F ZINC000380617421 712902168 /nfs/dbraw/zinc/90/21/68/712902168.db2.gz ZRPWQRLVNYRURA-VIFPVBQESA-N 2 2 248.342 2.205 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000380719474 712902728 /nfs/dbraw/zinc/90/27/28/712902728.db2.gz OGUWPZDWNNPMRO-GMTAPVOTSA-N 2 2 232.318 2.233 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000380719474 712902729 /nfs/dbraw/zinc/90/27/29/712902729.db2.gz OGUWPZDWNNPMRO-GMTAPVOTSA-N 2 2 232.318 2.233 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000388127256 711052053 /nfs/dbraw/zinc/05/20/53/711052053.db2.gz YBUMZALXUCLQHW-ZDUSSCGKSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000388127256 711052059 /nfs/dbraw/zinc/05/20/59/711052059.db2.gz YBUMZALXUCLQHW-ZDUSSCGKSA-N 2 2 218.344 2.164 20 0 BEADLP CC(C)C1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000390227110 711109543 /nfs/dbraw/zinc/10/95/43/711109543.db2.gz CQXYVMHICWNTKW-LLVKDONJSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393244550 711156477 /nfs/dbraw/zinc/15/64/77/711156477.db2.gz QBZCIFLQTZUNFT-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393244550 711156482 /nfs/dbraw/zinc/15/64/82/711156482.db2.gz QBZCIFLQTZUNFT-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP c1ccc(C2CC2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000395358141 711209028 /nfs/dbraw/zinc/20/90/28/711209028.db2.gz IGWBTMVFYSUVRF-CJNGLKHVSA-N 2 2 242.366 2.358 20 0 BEADLP c1ccc(C2CC2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000395358141 711209030 /nfs/dbraw/zinc/20/90/30/711209030.db2.gz IGWBTMVFYSUVRF-CJNGLKHVSA-N 2 2 242.366 2.358 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000395380228 711209978 /nfs/dbraw/zinc/20/99/78/711209978.db2.gz CCFOVXWOMMXCCF-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396567805 711354448 /nfs/dbraw/zinc/35/44/48/711354448.db2.gz WLGMVDJZOVRJFG-WFASDCNBSA-N 2 2 232.371 2.479 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000396970099 711373918 /nfs/dbraw/zinc/37/39/18/711373918.db2.gz JKLDKKIAYRZKTO-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000396970099 711373919 /nfs/dbraw/zinc/37/39/19/711373919.db2.gz JKLDKKIAYRZKTO-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CSCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000397479574 711384183 /nfs/dbraw/zinc/38/41/83/711384183.db2.gz LFKMJQNDBZSPNJ-RYUDHWBXSA-N 2 2 230.421 2.106 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000394245641 711189149 /nfs/dbraw/zinc/18/91/49/711189149.db2.gz WFUBZHLXZLQPFR-BLYZHGLHSA-N 2 2 233.359 2.440 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394378483 711190488 /nfs/dbraw/zinc/19/04/88/711190488.db2.gz ODAGNEWFYYLGAY-WXRRBKDZSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396645284 711363767 /nfs/dbraw/zinc/36/37/67/711363767.db2.gz BZANCNPZBDXXJZ-JQWIXIFHSA-N 2 2 224.373 2.287 20 0 BEADLP CCCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088176 711470566 /nfs/dbraw/zinc/47/05/66/711470566.db2.gz RFWQLIZCEFEJPY-NWDGAFQWSA-N 2 2 200.370 2.495 20 0 BEADLP C[C@H]1Cc2[nH+]cn(CC[NH+]3CCCC3)c2C[C@@H]1C ZINC000386443885 711555342 /nfs/dbraw/zinc/55/53/42/711555342.db2.gz CSWDJRXDKOUEMO-STQMWFEESA-N 2 2 247.386 2.350 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2CC[NH+]2CCCC2)C[C@@H]1C ZINC000386443883 711555380 /nfs/dbraw/zinc/55/53/80/711555380.db2.gz CSWDJRXDKOUEMO-QWHCGFSZSA-N 2 2 247.386 2.350 20 0 BEADLP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724679245 711607599 /nfs/dbraw/zinc/60/75/99/711607599.db2.gz QTUWBYLKGLXNHO-AAEUAGOBSA-N 2 2 237.347 2.074 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925787898 711751730 /nfs/dbraw/zinc/75/17/30/711751730.db2.gz WRRTUQPYWOKHFC-OUAUKWLOSA-N 2 2 224.373 2.397 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148769 712286405 /nfs/dbraw/zinc/28/64/05/712286405.db2.gz XUOZZMATUHLRKL-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148769 712286408 /nfs/dbraw/zinc/28/64/08/712286408.db2.gz XUOZZMATUHLRKL-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](CF)C1 ZINC000711459451 712304700 /nfs/dbraw/zinc/30/47/00/712304700.db2.gz CCJSKIPJKXFMAX-NSHDSACASA-N 2 2 216.344 2.056 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](CF)C1 ZINC000711459451 712304701 /nfs/dbraw/zinc/30/47/01/712304701.db2.gz CCJSKIPJKXFMAX-NSHDSACASA-N 2 2 216.344 2.056 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000711982147 712339855 /nfs/dbraw/zinc/33/98/55/712339855.db2.gz BXDYHKNRVWXEDJ-OLZOCXBDSA-N 2 2 224.392 2.352 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378877497 712367307 /nfs/dbraw/zinc/36/73/07/712367307.db2.gz BWTSIYOBNFQYKI-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@H]([NH3+])CC(F)F)c1 ZINC000379758018 712398099 /nfs/dbraw/zinc/39/80/99/712398099.db2.gz ZZPTXYBHEUXABK-GFCCVEGCSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@H]([NH3+])CC(F)F)c1 ZINC000379758018 712398101 /nfs/dbraw/zinc/39/81/01/712398101.db2.gz ZZPTXYBHEUXABK-GFCCVEGCSA-N 2 2 242.313 2.409 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000390480011 712419009 /nfs/dbraw/zinc/41/90/09/712419009.db2.gz MJPNOFXPZGMTIE-GVXVVHGQSA-N 2 2 242.432 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000390480011 712419010 /nfs/dbraw/zinc/41/90/10/712419010.db2.gz MJPNOFXPZGMTIE-GVXVVHGQSA-N 2 2 242.432 2.200 20 0 BEADLP C[N@H+](C[C@H]1CCCC(C)(C)O1)CC(C)(C)[NH3+] ZINC000714330416 712482137 /nfs/dbraw/zinc/48/21/37/712482137.db2.gz KIMYQCFGTIYRAT-LLVKDONJSA-N 2 2 228.380 2.003 20 0 BEADLP C[N@@H+](C[C@H]1CCCC(C)(C)O1)CC(C)(C)[NH3+] ZINC000714330416 712482139 /nfs/dbraw/zinc/48/21/39/712482139.db2.gz KIMYQCFGTIYRAT-LLVKDONJSA-N 2 2 228.380 2.003 20 0 BEADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714918964 712499957 /nfs/dbraw/zinc/49/99/57/712499957.db2.gz GKERPRKYFNXWJJ-CBBWQLFWSA-N 2 2 234.387 2.106 20 0 BEADLP C(C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000714918964 712499959 /nfs/dbraw/zinc/49/99/59/712499959.db2.gz GKERPRKYFNXWJJ-CBBWQLFWSA-N 2 2 234.387 2.106 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000718130627 712747037 /nfs/dbraw/zinc/74/70/37/712747037.db2.gz ISQDVTRJCUBAIC-CHWSQXEVSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000718130627 712747039 /nfs/dbraw/zinc/74/70/39/712747039.db2.gz ISQDVTRJCUBAIC-CHWSQXEVSA-N 2 2 234.343 2.304 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCC(C)(F)F ZINC000718578398 712775822 /nfs/dbraw/zinc/77/58/22/712775822.db2.gz GHIDZMSHSMMQDX-LLVKDONJSA-N 2 2 234.334 2.496 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCCC(C)(F)F ZINC000718578398 712775823 /nfs/dbraw/zinc/77/58/23/712775823.db2.gz GHIDZMSHSMMQDX-LLVKDONJSA-N 2 2 234.334 2.496 20 0 BEADLP C[NH2+]CC[N@H+](Cc1ccccc1C)C(C)C ZINC000720740925 712862726 /nfs/dbraw/zinc/86/27/26/712862726.db2.gz QTFNHWSCAZGAOV-UHFFFAOYSA-N 2 2 220.360 2.425 20 0 BEADLP C[NH2+]CC[N@@H+](Cc1ccccc1C)C(C)C ZINC000720740925 712862727 /nfs/dbraw/zinc/86/27/27/712862727.db2.gz QTFNHWSCAZGAOV-UHFFFAOYSA-N 2 2 220.360 2.425 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000720770581 712864982 /nfs/dbraw/zinc/86/49/82/712864982.db2.gz XMQUPUZNZUFJIL-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000720770581 712864984 /nfs/dbraw/zinc/86/49/84/712864984.db2.gz XMQUPUZNZUFJIL-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000720770502 712864991 /nfs/dbraw/zinc/86/49/91/712864991.db2.gz VLDSVQLWUQIUIN-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000720770502 712864992 /nfs/dbraw/zinc/86/49/92/712864992.db2.gz VLDSVQLWUQIUIN-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP c1ccc(CCC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720918725 712878223 /nfs/dbraw/zinc/87/82/23/712878223.db2.gz JMBIJBFQLUECHN-CVEARBPZSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720918725 712878226 /nfs/dbraw/zinc/87/82/26/712878226.db2.gz JMBIJBFQLUECHN-CVEARBPZSA-N 2 2 244.382 2.446 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCC1 ZINC000380354060 712892989 /nfs/dbraw/zinc/89/29/89/712892989.db2.gz WHKOPDFPNJLOJR-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCC1 ZINC000380354060 712892990 /nfs/dbraw/zinc/89/29/90/712892990.db2.gz WHKOPDFPNJLOJR-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000310357872 960434193 /nfs/dbraw/zinc/43/41/93/960434193.db2.gz RLEYYUOPAJAXCP-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ncc(C[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000049538904 1165742586 /nfs/dbraw/zinc/74/25/86/1165742586.db2.gz AWUHSWVBEOCNLA-UHFFFAOYSA-N 2 2 239.388 2.203 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000069664006 1165903936 /nfs/dbraw/zinc/90/39/36/1165903936.db2.gz XLGCDFVAKQNWQS-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000069664006 1165903943 /nfs/dbraw/zinc/90/39/43/1165903943.db2.gz XLGCDFVAKQNWQS-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC[NH2+]Cc1ccc(Cl)cn1)[NH+](C)C ZINC000703887650 967882500 /nfs/dbraw/zinc/88/25/00/967882500.db2.gz XOGAAAGTIRDGDJ-SNVBAGLBSA-N 2 2 241.766 2.165 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C)s1 ZINC001206263098 968182574 /nfs/dbraw/zinc/18/25/74/968182574.db2.gz OAKLCTHZCMWYOY-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[NH2+]C[C@@H]2C)s1 ZINC001206263098 968182577 /nfs/dbraw/zinc/18/25/77/968182577.db2.gz OAKLCTHZCMWYOY-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP CC/C=C\CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206335326 968237739 /nfs/dbraw/zinc/23/77/39/968237739.db2.gz FAZPLCCATPNGBI-SCOBNMCVSA-N 2 2 228.355 2.496 20 0 BEADLP CC/C=C\CC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206335326 968237746 /nfs/dbraw/zinc/23/77/46/968237746.db2.gz FAZPLCCATPNGBI-SCOBNMCVSA-N 2 2 228.355 2.496 20 0 BEADLP CC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000086386642 1166005338 /nfs/dbraw/zinc/00/53/38/1166005338.db2.gz SMXYWULJWIGYEQ-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000086386642 1166005342 /nfs/dbraw/zinc/00/53/42/1166005342.db2.gz SMXYWULJWIGYEQ-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP Cc1cc(-c2ccnc(C[NH3+])c2)cc(C)[nH+]1 ZINC000074141262 1166080813 /nfs/dbraw/zinc/08/08/13/1166080813.db2.gz UDYFSOYZYLUVGW-UHFFFAOYSA-N 2 2 213.284 2.219 20 0 BEADLP CC(C)CCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276527272 968740483 /nfs/dbraw/zinc/74/04/83/968740483.db2.gz JPUPFAZRVHVLHW-UHFFFAOYSA-N 2 2 210.365 2.060 20 0 BEADLP CC(C)CCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276527272 968740492 /nfs/dbraw/zinc/74/04/92/968740492.db2.gz JPUPFAZRVHVLHW-UHFFFAOYSA-N 2 2 210.365 2.060 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250089644 1166110642 /nfs/dbraw/zinc/11/06/42/1166110642.db2.gz SQGCYVDICKSZAO-ZFWWWQNUSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000250089644 1166110645 /nfs/dbraw/zinc/11/06/45/1166110645.db2.gz SQGCYVDICKSZAO-ZFWWWQNUSA-N 2 2 248.345 2.400 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000403352385 1166126429 /nfs/dbraw/zinc/12/64/29/1166126429.db2.gz WNUCIOZEFNGBFB-BDAKNGLRSA-N 2 2 237.174 2.365 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403352385 1166126433 /nfs/dbraw/zinc/12/64/33/1166126433.db2.gz WNUCIOZEFNGBFB-BDAKNGLRSA-N 2 2 237.174 2.365 20 0 BEADLP Fc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250122597 1166164578 /nfs/dbraw/zinc/16/45/78/1166164578.db2.gz TZBUGDAKHMXSHX-DZGCQCFKSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250122597 1166164581 /nfs/dbraw/zinc/16/45/81/1166164581.db2.gz TZBUGDAKHMXSHX-DZGCQCFKSA-N 2 2 248.345 2.400 20 0 BEADLP CS[C@H](C)CC[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001208141515 969058832 /nfs/dbraw/zinc/05/88/32/969058832.db2.gz KNEAXOPYNVJRTG-SNVBAGLBSA-N 2 2 239.388 2.149 20 0 BEADLP CS[C@H](C)CC[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001208141515 969058841 /nfs/dbraw/zinc/05/88/41/969058841.db2.gz KNEAXOPYNVJRTG-SNVBAGLBSA-N 2 2 239.388 2.149 20 0 BEADLP CCCCC[C@@H](O)C[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001253550880 969222693 /nfs/dbraw/zinc/22/26/93/969222693.db2.gz LESDXRRAKVOKCX-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@H](C[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC001208887047 969276583 /nfs/dbraw/zinc/27/65/83/969276583.db2.gz IZCQQXGLGYSQGX-SECBINFHSA-N 2 2 238.297 2.211 20 0 BEADLP C[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC001208887047 969276591 /nfs/dbraw/zinc/27/65/91/969276591.db2.gz IZCQQXGLGYSQGX-SECBINFHSA-N 2 2 238.297 2.211 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)C[C@@H](C)C(F)(F)F ZINC001208901460 969291404 /nfs/dbraw/zinc/29/14/04/969291404.db2.gz NVWSAWJBUARWEN-SNVBAGLBSA-N 2 2 240.313 2.458 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)C[C@@H](C)C(F)(F)F ZINC001208901460 969291409 /nfs/dbraw/zinc/29/14/09/969291409.db2.gz NVWSAWJBUARWEN-SNVBAGLBSA-N 2 2 240.313 2.458 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001169245875 969536746 /nfs/dbraw/zinc/53/67/46/969536746.db2.gz KNJYNIZVCSRZJU-DGCLKSJQSA-N 2 2 228.355 2.151 20 0 BEADLP CC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001169245875 969536749 /nfs/dbraw/zinc/53/67/49/969536749.db2.gz KNJYNIZVCSRZJU-DGCLKSJQSA-N 2 2 228.355 2.151 20 0 BEADLP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)[nH]1 ZINC001209573349 969538815 /nfs/dbraw/zinc/53/88/15/969538815.db2.gz RLLKUZSSOGKKAN-UHFFFAOYSA-N 2 2 235.375 2.241 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)[nH]1 ZINC001209573349 969538821 /nfs/dbraw/zinc/53/88/21/969538821.db2.gz RLLKUZSSOGKKAN-UHFFFAOYSA-N 2 2 235.375 2.241 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209737361 969598478 /nfs/dbraw/zinc/59/84/78/969598478.db2.gz LBPZEWBROQGUPD-CYBMUJFWSA-N 2 2 219.332 2.115 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209737361 969598483 /nfs/dbraw/zinc/59/84/83/969598483.db2.gz LBPZEWBROQGUPD-CYBMUJFWSA-N 2 2 219.332 2.115 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C ZINC000042436140 1166489695 /nfs/dbraw/zinc/48/96/95/1166489695.db2.gz VIIYYIOXWMGATL-ZDUSSCGKSA-N 2 2 206.333 2.164 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C ZINC000042436140 1166489700 /nfs/dbraw/zinc/48/97/00/1166489700.db2.gz VIIYYIOXWMGATL-ZDUSSCGKSA-N 2 2 206.333 2.164 20 0 BEADLP CCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254831066 969794233 /nfs/dbraw/zinc/79/42/33/969794233.db2.gz KEJOMVLBHUATSO-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP CCC(C)(C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254829413 969793102 /nfs/dbraw/zinc/79/31/02/969793102.db2.gz CJIHYZDQLQGHAK-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C\C1CC1 ZINC000378865515 1166563244 /nfs/dbraw/zinc/56/32/44/1166563244.db2.gz ZNVNVZVNFQOFAZ-USXUBVMZSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C\C1CC1 ZINC000378865515 1166563253 /nfs/dbraw/zinc/56/32/53/1166563253.db2.gz ZNVNVZVNFQOFAZ-USXUBVMZSA-N 2 2 220.360 2.025 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC001170115741 970334189 /nfs/dbraw/zinc/33/41/89/970334189.db2.gz BJVODUYBMXVKRV-AVGNSLFASA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC001170115741 970334203 /nfs/dbraw/zinc/33/42/03/970334203.db2.gz BJVODUYBMXVKRV-AVGNSLFASA-N 2 2 210.365 2.247 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000395190223 1166709362 /nfs/dbraw/zinc/70/93/62/1166709362.db2.gz WXAXYWQCWLXVKG-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000395190223 1166709364 /nfs/dbraw/zinc/70/93/64/1166709364.db2.gz WXAXYWQCWLXVKG-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC(F)(F)F)[N@H+](C)CCC[NH+](C)C ZINC001255645619 970423203 /nfs/dbraw/zinc/42/32/03/970423203.db2.gz HDKRZFDQZGLAOQ-SECBINFHSA-N 2 2 226.286 2.211 20 0 BEADLP C[C@H](CC(F)(F)F)[N@@H+](C)CCC[NH+](C)C ZINC001255645619 970423210 /nfs/dbraw/zinc/42/32/10/970423210.db2.gz HDKRZFDQZGLAOQ-SECBINFHSA-N 2 2 226.286 2.211 20 0 BEADLP CCSC[C@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001173316073 975302955 /nfs/dbraw/zinc/30/29/55/975302955.db2.gz ULXVXOCRZMMTQR-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CCSC[C@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001173316073 975302959 /nfs/dbraw/zinc/30/29/59/975302959.db2.gz ULXVXOCRZMMTQR-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251728432 1167456969 /nfs/dbraw/zinc/45/69/69/1167456969.db2.gz FIWBTAAFXSQLBZ-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251728432 1167456971 /nfs/dbraw/zinc/45/69/71/1167456971.db2.gz FIWBTAAFXSQLBZ-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC001232081892 977886943 /nfs/dbraw/zinc/88/69/43/977886943.db2.gz LGCUGHRZKBIYHG-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC001232081892 977886946 /nfs/dbraw/zinc/88/69/46/977886946.db2.gz LGCUGHRZKBIYHG-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)C[C@@H](C)C1 ZINC000252210601 1167759990 /nfs/dbraw/zinc/75/99/90/1167759990.db2.gz YAORBTKORYMJCF-RQJABVFESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)C[C@@H](C)C1 ZINC000252210601 1167759995 /nfs/dbraw/zinc/75/99/95/1167759995.db2.gz YAORBTKORYMJCF-RQJABVFESA-N 2 2 224.392 2.352 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235263766 1167783717 /nfs/dbraw/zinc/78/37/17/1167783717.db2.gz VDTFGLKJWJBOGA-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235263766 1167783723 /nfs/dbraw/zinc/78/37/23/1167783723.db2.gz VDTFGLKJWJBOGA-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP c1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000216202346 1167788245 /nfs/dbraw/zinc/78/82/45/1167788245.db2.gz GDTZMKZSPLTPLS-AWEZNQCLSA-N 2 2 230.355 2.060 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001180311044 978854794 /nfs/dbraw/zinc/85/47/94/978854794.db2.gz WPDCZTDOKVJGGY-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1[nH+]cc(Nc2ccc(C)[nH+]c2C)n1C ZINC001203368626 979385318 /nfs/dbraw/zinc/38/53/18/979385318.db2.gz BQYUTQXJOIBFQD-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP CCCc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC001236143289 979407884 /nfs/dbraw/zinc/40/78/84/979407884.db2.gz HVYYYJQXDKFCFF-UHFFFAOYSA-N 2 2 220.360 2.420 20 0 BEADLP CCCc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC001236143289 979407895 /nfs/dbraw/zinc/40/78/95/979407895.db2.gz HVYYYJQXDKFCFF-UHFFFAOYSA-N 2 2 220.360 2.420 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000693891271 1168370862 /nfs/dbraw/zinc/37/08/62/1168370862.db2.gz RKGRTWBYNNDGTM-QWHCGFSZSA-N 2 2 238.375 2.142 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000693891271 1168370867 /nfs/dbraw/zinc/37/08/67/1168370867.db2.gz RKGRTWBYNNDGTM-QWHCGFSZSA-N 2 2 238.375 2.142 20 0 BEADLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)o1 ZINC001205761079 982403797 /nfs/dbraw/zinc/40/37/97/982403797.db2.gz FZFJMENXMOBOPN-SNVBAGLBSA-N 2 2 244.285 2.004 20 0 BEADLP CCc1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110925965 1168984335 /nfs/dbraw/zinc/98/43/35/1168984335.db2.gz MCYSTDBUIVZTSI-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110925965 1168984347 /nfs/dbraw/zinc/98/43/47/1168984347.db2.gz MCYSTDBUIVZTSI-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC001172432207 974715173 /nfs/dbraw/zinc/71/51/73/974715173.db2.gz WVHARACWGXNOIV-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC001172386392 974731767 /nfs/dbraw/zinc/73/17/67/974731767.db2.gz OYMNXRYSPZIYBW-RYUDHWBXSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172456337 974819815 /nfs/dbraw/zinc/81/98/15/974819815.db2.gz BSTOZOMZIZDUOQ-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172456337 974819817 /nfs/dbraw/zinc/81/98/17/974819817.db2.gz BSTOZOMZIZDUOQ-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1c(F)cc[nH+]c1N1C[C@H](C[NH3+])CC[C@H]1C ZINC001164467643 1169456561 /nfs/dbraw/zinc/45/65/61/1169456561.db2.gz KTYBKNIRGSKSLQ-KOLCDFICSA-N 2 2 237.322 2.093 20 0 BEADLP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC[NH2+]C1CC1 ZINC000404096612 971122028 /nfs/dbraw/zinc/12/20/28/971122028.db2.gz RWKAMOSWCLGDOE-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCC[NH2+]C1CC1 ZINC000404096612 971122031 /nfs/dbraw/zinc/12/20/31/971122031.db2.gz RWKAMOSWCLGDOE-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000405775704 971308833 /nfs/dbraw/zinc/30/88/33/971308833.db2.gz BKZMZZZKOPUCPH-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000405775704 971308836 /nfs/dbraw/zinc/30/88/36/971308836.db2.gz BKZMZZZKOPUCPH-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP CC[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257430132 971336526 /nfs/dbraw/zinc/33/65/26/971336526.db2.gz FSJRVJHYXCRRGW-SECBINFHSA-N 2 2 227.377 2.354 20 0 BEADLP CC[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257430133 971337795 /nfs/dbraw/zinc/33/77/95/971337795.db2.gz FSJRVJHYXCRRGW-VIFPVBQESA-N 2 2 227.377 2.354 20 0 BEADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCCSC1 ZINC001257676523 971476234 /nfs/dbraw/zinc/47/62/34/971476234.db2.gz CSEYURYVTQROFK-ZDUSSCGKSA-N 2 2 242.432 2.298 20 0 BEADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCCSC1 ZINC001257676523 971476243 /nfs/dbraw/zinc/47/62/43/971476243.db2.gz CSEYURYVTQROFK-ZDUSSCGKSA-N 2 2 242.432 2.298 20 0 BEADLP Cc1ccc(O)c(NC=CC2CC[NH2+]CC2)[nH+]1 ZINC001159169928 971722241 /nfs/dbraw/zinc/72/22/41/971722241.db2.gz ADKZNOYYDYPHRF-RMKNXTFCSA-N 2 2 233.315 2.021 20 0 BEADLP c1cn(C2CC[NH+]([C@@H]3CCCOCC3)CC2)c[nH+]1 ZINC001170831043 971951638 /nfs/dbraw/zinc/95/16/38/971951638.db2.gz KTROLNYYTLQRMB-CYBMUJFWSA-N 2 2 249.358 2.089 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246085111 972138824 /nfs/dbraw/zinc/13/88/24/972138824.db2.gz GQYQAHCRRYXEKO-WUHRBBMRSA-N 2 2 230.371 2.491 20 0 BEADLP CC(C)c1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)on1 ZINC001246238912 972244742 /nfs/dbraw/zinc/24/47/42/972244742.db2.gz QRAAUWDTPUSCSA-QWRGUYRKSA-N 2 2 237.347 2.028 20 0 BEADLP Cc1cc(F)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246236400 972242519 /nfs/dbraw/zinc/24/25/19/972242519.db2.gz RSJVZDIQVNCAMC-CQSZACIVSA-N 2 2 236.334 2.366 20 0 BEADLP CC(C)c1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)on1 ZINC001246238876 972244370 /nfs/dbraw/zinc/24/43/70/972244370.db2.gz QRAAUWDTPUSCSA-GHMZBOCLSA-N 2 2 237.347 2.028 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246248543 972248620 /nfs/dbraw/zinc/24/86/20/972248620.db2.gz YNOYVXDSTGRKTR-YPMHNXCESA-N 2 2 243.354 2.398 20 0 BEADLP CCc1[nH+]ccc(C)c1Nc1c[nH+]cn1C ZINC001211248581 958110980 /nfs/dbraw/zinc/11/09/80/958110980.db2.gz OSOKHEWKNQTRPY-UHFFFAOYSA-N 2 2 216.288 2.430 20 0 BEADLP CCCCc1nc(-n2cccc2C[NH3+])cc(C)[nH+]1 ZINC001167585971 958961510 /nfs/dbraw/zinc/96/15/10/958961510.db2.gz HSTQJGORFJVJAL-UHFFFAOYSA-N 2 2 244.342 2.377 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693711456 959219570 /nfs/dbraw/zinc/21/95/70/959219570.db2.gz FHXHXDKJPKVBSI-KWCYVHTRSA-N 2 2 248.370 2.454 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001222237878 972419153 /nfs/dbraw/zinc/41/91/53/972419153.db2.gz WDRCDJFFYUPJQN-HNNXBMFYSA-N 2 2 247.386 2.350 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001222237878 972419162 /nfs/dbraw/zinc/41/91/62/972419162.db2.gz WDRCDJFFYUPJQN-HNNXBMFYSA-N 2 2 247.386 2.350 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237875 972419386 /nfs/dbraw/zinc/41/93/86/972419386.db2.gz VZRPFFVKEYJGQH-OAHLLOKOSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cnccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237875 972419392 /nfs/dbraw/zinc/41/93/92/972419392.db2.gz VZRPFFVKEYJGQH-OAHLLOKOSA-N 2 2 245.370 2.108 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693849149 959433511 /nfs/dbraw/zinc/43/35/11/959433511.db2.gz AEQYFAGYPLYYRP-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693849149 959433516 /nfs/dbraw/zinc/43/35/16/959433516.db2.gz AEQYFAGYPLYYRP-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP Cc1c[nH]c(C[NH+]2CCC([NH+]3CCC3)CC2)c1C ZINC001140866808 960652793 /nfs/dbraw/zinc/65/27/93/960652793.db2.gz FLEUOIZTRFMGLE-UHFFFAOYSA-N 2 2 247.386 2.302 20 0 BEADLP c1cn2ccc(C[N@@H+]3CCC[C@H]4C[C@H]43)cc2[nH+]1 ZINC001141049352 960840368 /nfs/dbraw/zinc/84/03/68/960840368.db2.gz DWZDQNHGNPIDMM-QWHCGFSZSA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2ccc(C[N@H+]3CCC[C@H]4C[C@H]43)cc2[nH+]1 ZINC001141049352 960840370 /nfs/dbraw/zinc/84/03/70/960840370.db2.gz DWZDQNHGNPIDMM-QWHCGFSZSA-N 2 2 227.311 2.319 20 0 BEADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391968 961116724 /nfs/dbraw/zinc/11/67/24/961116724.db2.gz CITUQLBBDGMZRH-BLLLJJGKSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391968 961116726 /nfs/dbraw/zinc/11/67/26/961116726.db2.gz CITUQLBBDGMZRH-BLLLJJGKSA-N 2 2 244.382 2.487 20 0 BEADLP [NH2+]=CNc1cc(N2CCCCC2)cc[nH+]1 ZINC001167865145 961334356 /nfs/dbraw/zinc/33/43/56/961334356.db2.gz SMDXAIHWKYZQMB-UHFFFAOYSA-N 2 2 204.277 2.091 20 0 BEADLP C[NH+](C)Cc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC000709758931 961448953 /nfs/dbraw/zinc/44/89/53/961448953.db2.gz CUAYYSBYDZBJSC-UHFFFAOYSA-N 2 2 242.326 2.469 20 0 BEADLP Cc1nc(N[C@H](C)C[NH+](C)C)cc(C(C)C)[nH+]1 ZINC000709798004 961571217 /nfs/dbraw/zinc/57/12/17/961571217.db2.gz JBWAQKRWSQONTJ-SNVBAGLBSA-N 2 2 236.363 2.270 20 0 BEADLP Cc1cc(C)cc(C[NH+]2CC3(C2)CCC[NH2+]C3)c1 ZINC000709810335 961629778 /nfs/dbraw/zinc/62/97/78/961629778.db2.gz WIRMZPPVYKBERU-UHFFFAOYSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167904701 961723613 /nfs/dbraw/zinc/72/36/13/961723613.db2.gz KJXTYYKOHMIUFO-KBXIAJHMSA-N 2 2 236.403 2.495 20 0 BEADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167918192 961901286 /nfs/dbraw/zinc/90/12/86/961901286.db2.gz GWKLOYFNDAKPQT-JJXSEGSLSA-N 2 2 242.366 2.171 20 0 BEADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167918192 961901311 /nfs/dbraw/zinc/90/13/11/961901311.db2.gz GWKLOYFNDAKPQT-JJXSEGSLSA-N 2 2 242.366 2.171 20 0 BEADLP CC[N@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167937773 962131623 /nfs/dbraw/zinc/13/16/23/962131623.db2.gz ADIMXXCGNJMKCG-DABQJJPHSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167937773 962131636 /nfs/dbraw/zinc/13/16/36/962131636.db2.gz ADIMXXCGNJMKCG-DABQJJPHSA-N 2 2 222.376 2.201 20 0 BEADLP Cc1scnc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632859 962155855 /nfs/dbraw/zinc/15/58/55/962155855.db2.gz PHBIABLXBAKGNL-NSHDSACASA-N 2 2 239.388 2.012 20 0 BEADLP Cc1scnc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632859 962155868 /nfs/dbraw/zinc/15/58/68/962155868.db2.gz PHBIABLXBAKGNL-NSHDSACASA-N 2 2 239.388 2.012 20 0 BEADLP CO[C@H](C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924908950 962295088 /nfs/dbraw/zinc/29/50/88/962295088.db2.gz JMXZSZPIDZXBNO-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H](C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924908950 962295110 /nfs/dbraw/zinc/29/51/10/962295110.db2.gz JMXZSZPIDZXBNO-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CSc1cc[nH+]c(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001155102563 962981298 /nfs/dbraw/zinc/98/12/98/962981298.db2.gz XWLPINSDEYLADY-NXEZZACHSA-N 2 2 237.372 2.213 20 0 BEADLP F[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167966370 963025980 /nfs/dbraw/zinc/02/59/80/963025980.db2.gz UVFURPDBEOSGAO-ZLMOABSSSA-N 2 2 238.350 2.092 20 0 BEADLP F[C@@H]1C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966370 963026000 /nfs/dbraw/zinc/02/60/00/963026000.db2.gz UVFURPDBEOSGAO-ZLMOABSSSA-N 2 2 238.350 2.092 20 0 BEADLP CC1(C)C[N@H+](CCCC2CCC2)C[C@@H]1[NH3+] ZINC000688417452 963268127 /nfs/dbraw/zinc/26/81/27/963268127.db2.gz ACWMEGZTNJOASE-LBPRGKRZSA-N 2 2 210.365 2.236 20 0 BEADLP CC1(C)C[N@@H+](CCCC2CCC2)C[C@@H]1[NH3+] ZINC000688417452 963268139 /nfs/dbraw/zinc/26/81/39/963268139.db2.gz ACWMEGZTNJOASE-LBPRGKRZSA-N 2 2 210.365 2.236 20 0 BEADLP Cc1cc[nH+]c(C)c1OC1CC[NH+](C)CC1 ZINC001227260767 963488390 /nfs/dbraw/zinc/48/83/90/963488390.db2.gz URPVBJSSQRRFFW-UHFFFAOYSA-N 2 2 220.316 2.171 20 0 BEADLP CC(C)c1ccc(N2CC[C@@](F)(C[NH3+])C2)[nH+]c1 ZINC001157813690 963737500 /nfs/dbraw/zinc/73/75/00/963737500.db2.gz UMINSDGOCGZEAX-CYBMUJFWSA-N 2 2 237.322 2.082 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000721246923 964088245 /nfs/dbraw/zinc/08/82/45/964088245.db2.gz UEZBXTJJRGDKKJ-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CSCc1ccc(NCC[C@@H](C)[NH3+])[nH+]c1 ZINC001159778586 964189661 /nfs/dbraw/zinc/18/96/61/964189661.db2.gz MZEMATAFJIYOCQ-SECBINFHSA-N 2 2 225.361 2.094 20 0 BEADLP Cc1cc(NCC(C)(C)[NH3+])nc(C(C)(C)C)[nH+]1 ZINC001160032048 964241815 /nfs/dbraw/zinc/24/18/15/964241815.db2.gz MDROQGIHYQOFBN-UHFFFAOYSA-N 2 2 236.363 2.232 20 0 BEADLP CC(C)Oc1cc[nH+]c(NCC(C)(C)[NH3+])c1 ZINC001160032373 964241957 /nfs/dbraw/zinc/24/19/57/964241957.db2.gz QLXVQEUDZLRMHO-UHFFFAOYSA-N 2 2 223.320 2.018 20 0 BEADLP Cc1ccc(C)c(NC2C[NH+](C(C)C)C2)[nH+]1 ZINC001168311554 964411405 /nfs/dbraw/zinc/41/14/05/964411405.db2.gz AZGLXGVEINKELB-UHFFFAOYSA-N 2 2 219.332 2.203 20 0 BEADLP Cc1cc(N[C@@H](C[NH3+])C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001160914393 964446812 /nfs/dbraw/zinc/44/68/12/964446812.db2.gz NWVDKHKJUYQUMN-NSHDSACASA-N 2 2 248.374 2.448 20 0 BEADLP C[C@H](CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC000697904765 964673281 /nfs/dbraw/zinc/67/32/81/964673281.db2.gz QMIQALWJUQLBKP-LLVKDONJSA-N 2 2 224.323 2.256 20 0 BEADLP CCc1nc(NC2C[NH+](C(C)(C)C)C2)cc(C)[nH+]1 ZINC001162225361 964879551 /nfs/dbraw/zinc/87/95/51/964879551.db2.gz GIRFJGMBRKNNMM-UHFFFAOYSA-N 2 2 248.374 2.242 20 0 BEADLP Cc1cc(N[C@H]2C[C@@](C)([NH3+])C2)nc(C(C)(C)C)[nH+]1 ZINC001162329019 964934206 /nfs/dbraw/zinc/93/42/06/964934206.db2.gz WLXWAHHWMIHBRG-WJONMLJTSA-N 2 2 248.374 2.374 20 0 BEADLP CCc1nc(N[C@@]2(C)CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC001162341030 964939768 /nfs/dbraw/zinc/93/97/68/964939768.db2.gz YJYFCWBRVMRDLQ-AWEZNQCLSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(N[C@@]2(C)CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001162341030 964939770 /nfs/dbraw/zinc/93/97/70/964939770.db2.gz YJYFCWBRVMRDLQ-AWEZNQCLSA-N 2 2 248.374 2.244 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371894 964947895 /nfs/dbraw/zinc/94/78/95/964947895.db2.gz KCNQHGOKRGPVHN-DGCLKSJQSA-N 2 2 240.366 2.293 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371894 964947900 /nfs/dbraw/zinc/94/79/00/964947900.db2.gz KCNQHGOKRGPVHN-DGCLKSJQSA-N 2 2 240.366 2.293 20 0 BEADLP [NH3+][C@H]1CCC[C@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001162396588 964956205 /nfs/dbraw/zinc/95/62/05/964956205.db2.gz LUHQMLXRSYUVPT-QWRGUYRKSA-N 2 2 230.315 2.016 20 0 BEADLP Cc1[nH+]cccc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162465192 964989344 /nfs/dbraw/zinc/98/93/44/964989344.db2.gz DKUQPTMDGFPTDI-WCQYABFASA-N 2 2 233.359 2.438 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001162524037 965023337 /nfs/dbraw/zinc/02/33/37/965023337.db2.gz JSVSQPUSXZBPIJ-UZCDSNMBSA-N 2 2 209.337 2.460 20 0 BEADLP Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)ccc1[NH+](C)C ZINC001162676276 965109433 /nfs/dbraw/zinc/10/94/33/965109433.db2.gz PRCIKMDPMPSDMF-DGCLKSJQSA-N 2 2 233.359 2.223 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccsc1 ZINC001205063859 965282441 /nfs/dbraw/zinc/28/24/41/965282441.db2.gz DKOGNPSMTVDVSP-ONGXEEELSA-N 2 2 210.346 2.060 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccsc1 ZINC001205063859 965282458 /nfs/dbraw/zinc/28/24/58/965282458.db2.gz DKOGNPSMTVDVSP-ONGXEEELSA-N 2 2 210.346 2.060 20 0 BEADLP COc1cc[nH+]c(N[C@H](C[NH3+])c2ccccc2)c1 ZINC001163291907 965324029 /nfs/dbraw/zinc/32/40/29/965324029.db2.gz JJYOQLWZMXOMPC-CYBMUJFWSA-N 2 2 243.310 2.202 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](Nc2ccc(N)c[nH+]2)[C@H](C)C1 ZINC001163360099 965362778 /nfs/dbraw/zinc/36/27/78/965362778.db2.gz BSRADBRQKCKZLW-DGCLKSJQSA-N 2 2 248.374 2.195 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](Nc2ccc(N)c[nH+]2)[C@H](C)C1 ZINC001163360099 965362787 /nfs/dbraw/zinc/36/27/87/965362787.db2.gz BSRADBRQKCKZLW-DGCLKSJQSA-N 2 2 248.374 2.195 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(C)c1O ZINC001205069016 965426018 /nfs/dbraw/zinc/42/60/18/965426018.db2.gz RXEYLTKWPQMGBX-JSGCOSHPSA-N 2 2 248.370 2.321 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(C)c1O ZINC001205069016 965426026 /nfs/dbraw/zinc/42/60/26/965426026.db2.gz RXEYLTKWPQMGBX-JSGCOSHPSA-N 2 2 248.370 2.321 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1O ZINC001205069276 965431221 /nfs/dbraw/zinc/43/12/21/965431221.db2.gz XHDNFSHZNNDJFS-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1O ZINC001205069276 965431228 /nfs/dbraw/zinc/43/12/28/965431228.db2.gz XHDNFSHZNNDJFS-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP Cc1cc(N[C@H](C)C[NH+](C)C)c[nH+]c1C ZINC001163777473 965583854 /nfs/dbraw/zinc/58/38/54/965583854.db2.gz WGOPKHVYTUEHFC-SNVBAGLBSA-N 2 2 207.321 2.060 20 0 BEADLP Cc1cc(N[C@@H](C)C[NH+](C)C)ccc1[NH+](C)C ZINC001163782354 965587344 /nfs/dbraw/zinc/58/73/44/965587344.db2.gz GDIWBMJLOGZLTN-LBPRGKRZSA-N 2 2 235.375 2.423 20 0 BEADLP COc1cc[nH+]cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279665 966023106 /nfs/dbraw/zinc/02/31/06/966023106.db2.gz XOBNBIBFCHVKGN-GFCCVEGCSA-N 2 2 249.358 2.234 20 0 BEADLP COc1cc[nH+]cc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165279665 966023133 /nfs/dbraw/zinc/02/31/33/966023133.db2.gz XOBNBIBFCHVKGN-GFCCVEGCSA-N 2 2 249.358 2.234 20 0 BEADLP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235978113 966188110 /nfs/dbraw/zinc/18/81/10/966188110.db2.gz ISCRMKAYWMBMBD-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235978113 966188113 /nfs/dbraw/zinc/18/81/13/966188113.db2.gz ISCRMKAYWMBMBD-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236021161 966231954 /nfs/dbraw/zinc/23/19/54/966231954.db2.gz MGOKLCXPGKBCER-HUUCEWRRSA-N 2 2 230.355 2.343 20 0 BEADLP CC(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236021161 966231968 /nfs/dbraw/zinc/23/19/68/966231968.db2.gz MGOKLCXPGKBCER-HUUCEWRRSA-N 2 2 230.355 2.343 20 0 BEADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236024262 966238754 /nfs/dbraw/zinc/23/87/54/966238754.db2.gz DKKJRMACARBCQI-ZFWWWQNUSA-N 2 2 230.355 2.343 20 0 BEADLP CC(C)c1ccccc1C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236024262 966238768 /nfs/dbraw/zinc/23/87/68/966238768.db2.gz DKKJRMACARBCQI-ZFWWWQNUSA-N 2 2 230.355 2.343 20 0 BEADLP CCCCc1nc(NC2(CC)C[NH2+]C2)cc(C)[nH+]1 ZINC001168583995 966933740 /nfs/dbraw/zinc/93/37/40/966933740.db2.gz VGPNEJCMEVLDJU-UHFFFAOYSA-N 2 2 248.374 2.292 20 0 BEADLP CNc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c[nH+]1 ZINC001168601033 966970544 /nfs/dbraw/zinc/97/05/44/966970544.db2.gz GTTKIJSCCCLOOO-STQMWFEESA-N 2 2 248.374 2.408 20 0 BEADLP Cc1cccc2[nH+]cc(Nc3ccc[nH+]c3N)n21 ZINC001212395309 967020368 /nfs/dbraw/zinc/02/03/68/967020368.db2.gz KTZUYABMUIHOOZ-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP Cc1cc(Nc2c[nH+]c3ccccn23)c[nH+]c1N ZINC001249781865 967060379 /nfs/dbraw/zinc/06/03/79/967060379.db2.gz LRDCYJKTYFBGCO-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP COc1cc(Nc2c[nH+]c(N)c(C)c2)cc(C)[nH+]1 ZINC001249786573 967069898 /nfs/dbraw/zinc/06/98/98/967069898.db2.gz WFTATAGLSHENKK-UHFFFAOYSA-N 2 2 244.298 2.428 20 0 BEADLP c1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)co1 ZINC001239689371 967081950 /nfs/dbraw/zinc/08/19/50/967081950.db2.gz XSASOHDNIRUYMV-UHFFFAOYSA-N 2 2 239.278 2.281 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001204792683 967169711 /nfs/dbraw/zinc/16/97/11/967169711.db2.gz YHFZWPYMBWFNBP-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001204792683 967169722 /nfs/dbraw/zinc/16/97/22/967169722.db2.gz YHFZWPYMBWFNBP-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2nccc3ccccc32)C1 ZINC001204790064 967172481 /nfs/dbraw/zinc/17/24/81/967172481.db2.gz GLMFCCQXHJEYKU-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001204790064 967172490 /nfs/dbraw/zinc/17/24/90/967172490.db2.gz GLMFCCQXHJEYKU-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)c1 ZINC001204847510 967196326 /nfs/dbraw/zinc/19/63/26/967196326.db2.gz BZVUDVSPRVGBLT-AWEZNQCLSA-N 2 2 248.370 2.151 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)c1 ZINC001204847510 967196328 /nfs/dbraw/zinc/19/63/28/967196328.db2.gz BZVUDVSPRVGBLT-AWEZNQCLSA-N 2 2 248.370 2.151 20 0 BEADLP Cc1ccccc1OC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC001204869515 967205627 /nfs/dbraw/zinc/20/56/27/967205627.db2.gz BBCHDYRWOVRZSZ-CYBMUJFWSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204904668 967223154 /nfs/dbraw/zinc/22/31/54/967223154.db2.gz WNTGMWOYHHMFLE-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204904668 967223162 /nfs/dbraw/zinc/22/31/62/967223162.db2.gz WNTGMWOYHHMFLE-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP COc1cccc(C)c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083068 967334143 /nfs/dbraw/zinc/33/41/43/967334143.db2.gz OJKQNMBENPGFQY-STQMWFEESA-N 2 2 248.370 2.315 20 0 BEADLP COc1cccc(C)c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083068 967334158 /nfs/dbraw/zinc/33/41/58/967334158.db2.gz OJKQNMBENPGFQY-STQMWFEESA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1O ZINC001205082253 967335115 /nfs/dbraw/zinc/33/51/15/967335115.db2.gz DMPGIQPOAXGCIY-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1O ZINC001205082253 967335130 /nfs/dbraw/zinc/33/51/30/967335130.db2.gz DMPGIQPOAXGCIY-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccncc2Cl)CC1 ZINC001205102635 967343725 /nfs/dbraw/zinc/34/37/25/967343725.db2.gz UXYFVBDJVABTAA-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccncc2Cl)CC1 ZINC001205102635 967343736 /nfs/dbraw/zinc/34/37/36/967343736.db2.gz UXYFVBDJVABTAA-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)CC1 ZINC001205101531 967344349 /nfs/dbraw/zinc/34/43/49/967344349.db2.gz HZEFOVSPGHWJSO-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)CC1 ZINC001205101531 967344362 /nfs/dbraw/zinc/34/43/62/967344362.db2.gz HZEFOVSPGHWJSO-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001205116920 967366176 /nfs/dbraw/zinc/36/61/76/967366176.db2.gz JCBYVBSTUPOXBA-NSHDSACASA-N 2 2 245.326 2.141 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001205116920 967366187 /nfs/dbraw/zinc/36/61/87/967366187.db2.gz JCBYVBSTUPOXBA-NSHDSACASA-N 2 2 245.326 2.141 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCc1ccccc1F ZINC001205170762 967408056 /nfs/dbraw/zinc/40/80/56/967408056.db2.gz CWCPLZCEGXSSLV-BXUZGUMPSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCc1ccccc1F ZINC001205170762 967408060 /nfs/dbraw/zinc/40/80/60/967408060.db2.gz CWCPLZCEGXSSLV-BXUZGUMPSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ccn(C)c2c1 ZINC001205182634 967409666 /nfs/dbraw/zinc/40/96/66/967409666.db2.gz FGHIBLPPBLRDGC-BXUZGUMPSA-N 2 2 243.354 2.100 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2ccn(C)c2c1 ZINC001205182634 967409669 /nfs/dbraw/zinc/40/96/69/967409669.db2.gz FGHIBLPPBLRDGC-BXUZGUMPSA-N 2 2 243.354 2.100 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)sc1C ZINC001205197563 967423015 /nfs/dbraw/zinc/42/30/15/967423015.db2.gz RZEPYOVWSQWESA-BXKDBHETSA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)sc1C ZINC001205197563 967423022 /nfs/dbraw/zinc/42/30/22/967423022.db2.gz RZEPYOVWSQWESA-BXKDBHETSA-N 2 2 224.373 2.286 20 0 BEADLP C[NH+](C)CCCc1ccc[nH+]c1N1CCCC1 ZINC001250161333 967453352 /nfs/dbraw/zinc/45/33/52/967453352.db2.gz WAKYSOHHBDBLSR-UHFFFAOYSA-N 2 2 233.359 2.176 20 0 BEADLP C[NH+](C)Cc1ccccc1CCn1cc[nH+]c1 ZINC001250315818 967681696 /nfs/dbraw/zinc/68/16/96/967681696.db2.gz RVIMMTJXIZJAJD-UHFFFAOYSA-N 2 2 229.327 2.187 20 0 BEADLP [NH3+][C@H]1CCC[C@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001162385836 967820819 /nfs/dbraw/zinc/82/08/19/967820819.db2.gz RQWFJGZBEWWDKG-QWRGUYRKSA-N 2 2 230.315 2.245 20 0 BEADLP C[C@@H](C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+])C(F)(F)F ZINC001205807260 967828973 /nfs/dbraw/zinc/82/89/73/967828973.db2.gz ZHRGHUAGFCTNRX-UTLUCORTSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H](C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+])C(F)(F)F ZINC001205807260 967828974 /nfs/dbraw/zinc/82/89/74/967828974.db2.gz ZHRGHUAGFCTNRX-UTLUCORTSA-N 2 2 238.297 2.244 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805808 967829955 /nfs/dbraw/zinc/82/99/55/967829955.db2.gz RXWAIZKLCMCUQF-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805808 967829956 /nfs/dbraw/zinc/82/99/56/967829956.db2.gz RXWAIZKLCMCUQF-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP C/C(=C\C=C\[NH3+])n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162765765 967902749 /nfs/dbraw/zinc/90/27/49/967902749.db2.gz JPYUJAIPPHGSHQ-FUGUCUAJSA-N 2 2 242.326 2.389 20 0 BEADLP CC(C)CC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771184 967924466 /nfs/dbraw/zinc/92/44/66/967924466.db2.gz ROCRNDCKHYQONI-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206064815 968033099 /nfs/dbraw/zinc/03/30/99/968033099.db2.gz FMUFFUDSFHIZBW-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206064815 968033101 /nfs/dbraw/zinc/03/31/01/968033101.db2.gz FMUFFUDSFHIZBW-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3occc32)C[C@H]1[NH3+] ZINC001206070632 968038966 /nfs/dbraw/zinc/03/89/66/968038966.db2.gz NPOGVPJLIRQTJX-ZWNOBZJWSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3occc32)C[C@H]1[NH3+] ZINC001206070632 968038976 /nfs/dbraw/zinc/03/89/76/968038976.db2.gz NPOGVPJLIRQTJX-ZWNOBZJWSA-N 2 2 230.311 2.212 20 0 BEADLP Cc1cc[nH+]c(N[C@@H](C)C[NH+](C)C)c1C ZINC001163772766 968116043 /nfs/dbraw/zinc/11/60/43/968116043.db2.gz OQHSJPSHIDZUGJ-JTQLQIEISA-N 2 2 207.321 2.060 20 0 BEADLP CC1CC([N@H+](C)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001206286331 968197458 /nfs/dbraw/zinc/19/74/58/968197458.db2.gz SHYMFNOIXRMZDW-HNFVBEJKSA-N 2 2 232.371 2.287 20 0 BEADLP CC1CC([N@@H+](C)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001206286331 968197461 /nfs/dbraw/zinc/19/74/61/968197461.db2.gz SHYMFNOIXRMZDW-HNFVBEJKSA-N 2 2 232.371 2.287 20 0 BEADLP CCCc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206722999 968437464 /nfs/dbraw/zinc/43/74/64/968437464.db2.gz KIWXJHKVKXFEML-UHFFFAOYSA-N 2 2 232.371 2.420 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccc(F)c3ccoc32)C1 ZINC001206736321 968447892 /nfs/dbraw/zinc/44/78/92/968447892.db2.gz CAMMXWCYRSRIJM-UHFFFAOYSA-N 2 2 248.301 2.353 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)n1C ZINC001206793245 968476912 /nfs/dbraw/zinc/47/69/12/968476912.db2.gz TZVKVIZXYKBWCR-OLZOCXBDSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)n1C ZINC001206793245 968476916 /nfs/dbraw/zinc/47/69/16/968476916.db2.gz TZVKVIZXYKBWCR-OLZOCXBDSA-N 2 2 233.359 2.351 20 0 BEADLP COc1cc(C)c[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154985253 968839901 /nfs/dbraw/zinc/83/99/01/968839901.db2.gz BRQSQHQCGHIDBS-WDEREUQCSA-N 2 2 235.331 2.080 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001207626276 968842082 /nfs/dbraw/zinc/84/20/82/968842082.db2.gz DCXAIPANGYNRLI-XUWVNRHRSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001207626276 968842078 /nfs/dbraw/zinc/84/20/78/968842078.db2.gz DCXAIPANGYNRLI-XUWVNRHRSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001207626276 968842087 /nfs/dbraw/zinc/84/20/87/968842087.db2.gz DCXAIPANGYNRLI-XUWVNRHRSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001207626276 968842089 /nfs/dbraw/zinc/84/20/89/968842089.db2.gz DCXAIPANGYNRLI-XUWVNRHRSA-N 2 2 246.398 2.369 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632832 968851570 /nfs/dbraw/zinc/85/15/70/968851570.db2.gz TWBKOTUVEIJCRA-RRFJBIMHSA-N 2 2 245.370 2.417 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632832 968851576 /nfs/dbraw/zinc/85/15/76/968851576.db2.gz TWBKOTUVEIJCRA-RRFJBIMHSA-N 2 2 245.370 2.417 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000165833295 969132561 /nfs/dbraw/zinc/13/25/61/969132561.db2.gz UYDJGTVNWOXLHQ-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[N@@H+]1CCC[C@@H](C[NH+]2Cc3ccccc3C2)C1 ZINC001208604054 969159160 /nfs/dbraw/zinc/15/91/60/969159160.db2.gz KITGUFLYXAMMEB-CYBMUJFWSA-N 2 2 230.355 2.344 20 0 BEADLP C[N@H+]1CCC[C@@H](C[NH+]2Cc3ccccc3C2)C1 ZINC001208604054 969159167 /nfs/dbraw/zinc/15/91/67/969159167.db2.gz KITGUFLYXAMMEB-CYBMUJFWSA-N 2 2 230.355 2.344 20 0 BEADLP Cc1[nH+]c2ccc(N)cc2n1C1=CC[N@H+](C)CC1 ZINC001208844118 969258140 /nfs/dbraw/zinc/25/81/40/969258140.db2.gz LXRFFRMFRJGRLC-UHFFFAOYSA-N 2 2 242.326 2.103 20 0 BEADLP Cc1[nH+]c2ccc(N)cc2n1C1=CC[N@@H+](C)CC1 ZINC001208844118 969258146 /nfs/dbraw/zinc/25/81/46/969258146.db2.gz LXRFFRMFRJGRLC-UHFFFAOYSA-N 2 2 242.326 2.103 20 0 BEADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001169060887 969373991 /nfs/dbraw/zinc/37/39/91/969373991.db2.gz FIRFHEOZFYFUMT-RRFJBIMHSA-N 2 2 232.371 2.333 20 0 BEADLP F[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]2C[C@@H]21 ZINC001209449902 969517530 /nfs/dbraw/zinc/51/75/30/969517530.db2.gz MRVMNFQWHIBBQR-MELADBBJSA-N 2 2 240.366 2.152 20 0 BEADLP F[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]2C[C@@H]21 ZINC001209449902 969517538 /nfs/dbraw/zinc/51/75/38/969517538.db2.gz MRVMNFQWHIBBQR-MELADBBJSA-N 2 2 240.366 2.152 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001169265697 969524979 /nfs/dbraw/zinc/52/49/79/969524979.db2.gz PMSUPCOXTBDWBX-UHFFFAOYSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001169265697 969524987 /nfs/dbraw/zinc/52/49/87/969524987.db2.gz PMSUPCOXTBDWBX-UHFFFAOYSA-N 2 2 222.376 2.345 20 0 BEADLP CC[N@H+](Cc1ccc(C)[nH]1)C1CC[NH+](C)CC1 ZINC001209572201 969554412 /nfs/dbraw/zinc/55/44/12/969554412.db2.gz DMKSOXXKOTZZIZ-UHFFFAOYSA-N 2 2 235.375 2.239 20 0 BEADLP CC[N@@H+](Cc1ccc(C)[nH]1)C1CC[NH+](C)CC1 ZINC001209572201 969554419 /nfs/dbraw/zinc/55/44/19/969554419.db2.gz DMKSOXXKOTZZIZ-UHFFFAOYSA-N 2 2 235.375 2.239 20 0 BEADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)[nH]3)C[C@H]2C1 ZINC001209576568 969561491 /nfs/dbraw/zinc/56/14/91/969561491.db2.gz YNDACPAQPULEFI-ZIAGYGMSSA-N 2 2 247.386 2.097 20 0 BEADLP C[C@@H]1CCCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209725867 969579827 /nfs/dbraw/zinc/57/98/27/969579827.db2.gz CSONOHIJQUVOHO-LLVKDONJSA-N 2 2 219.332 2.116 20 0 BEADLP C[C@@H]1CCCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209725867 969579829 /nfs/dbraw/zinc/57/98/29/969579829.db2.gz CSONOHIJQUVOHO-LLVKDONJSA-N 2 2 219.332 2.116 20 0 BEADLP C[C@@H]1CCCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209729867 969587752 /nfs/dbraw/zinc/58/77/52/969587752.db2.gz CZUFZYZGWJLRKZ-LLVKDONJSA-N 2 2 219.332 2.259 20 0 BEADLP C[C@@H]1CCCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209729867 969587755 /nfs/dbraw/zinc/58/77/55/969587755.db2.gz CZUFZYZGWJLRKZ-LLVKDONJSA-N 2 2 219.332 2.259 20 0 BEADLP CCC[N@@H+](Cc1c[nH+]ccc1N)CC(C)C ZINC001209732551 969595598 /nfs/dbraw/zinc/59/55/98/969595598.db2.gz ISUNSCPUZYQXGB-UHFFFAOYSA-N 2 2 221.348 2.362 20 0 BEADLP CCC[N@H+](Cc1c[nH+]ccc1N)CC(C)C ZINC001209732551 969595604 /nfs/dbraw/zinc/59/56/04/969595604.db2.gz ISUNSCPUZYQXGB-UHFFFAOYSA-N 2 2 221.348 2.362 20 0 BEADLP CC1(C)CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209734196 969597554 /nfs/dbraw/zinc/59/75/54/969597554.db2.gz MYKHXPXIHOSFPG-UHFFFAOYSA-N 2 2 219.332 2.116 20 0 BEADLP [NH3+]CCc1[nH+]ccn1C1CCC2(CC2)CC1 ZINC001254434162 969624477 /nfs/dbraw/zinc/62/44/77/969624477.db2.gz XNBNFSSXHPVLKV-UHFFFAOYSA-N 2 2 219.332 2.280 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1CCc2ccccc2CC1 ZINC001254450554 969644136 /nfs/dbraw/zinc/64/41/36/969644136.db2.gz VJVOKZQZTCVNIG-CYBMUJFWSA-N 2 2 246.398 2.474 20 0 BEADLP Cn1c[nH+]cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209843384 969651469 /nfs/dbraw/zinc/65/14/69/969651469.db2.gz AZAPUWKJVOHTHI-UHFFFAOYSA-N 2 2 213.244 2.040 20 0 BEADLP Cc1cc2c(cn1)C[NH+]([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254525443 969723717 /nfs/dbraw/zinc/72/37/17/969723717.db2.gz IRIFJSPWPDLOJJ-HNNXBMFYSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1cc2c(cn1)C[NH+]([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254525443 969723725 /nfs/dbraw/zinc/72/37/25/969723725.db2.gz IRIFJSPWPDLOJJ-HNNXBMFYSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1cc2c(cn1)C[N@@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254525443 969723731 /nfs/dbraw/zinc/72/37/31/969723731.db2.gz IRIFJSPWPDLOJJ-HNNXBMFYSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1cc2c(cn1)C[N@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254525443 969723743 /nfs/dbraw/zinc/72/37/43/969723743.db2.gz IRIFJSPWPDLOJJ-HNNXBMFYSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1[nH+]cn(-c2ccc([NH+](C)C)c(C)c2)c1N ZINC001210042507 969773681 /nfs/dbraw/zinc/77/36/81/969773681.db2.gz IEGBUSIRXHUSLS-UHFFFAOYSA-N 2 2 230.315 2.137 20 0 BEADLP CCOc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC000166857761 969787674 /nfs/dbraw/zinc/78/76/74/969787674.db2.gz LUPLTVWESJMTPF-LLVKDONJSA-N 2 2 235.331 2.034 20 0 BEADLP c1ccc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254830866 969793761 /nfs/dbraw/zinc/79/37/61/969793761.db2.gz IJWWOOVAZVAZIR-INIZCTEOSA-N 2 2 244.382 2.303 20 0 BEADLP CC(C)([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CC1 ZINC001254833833 969795622 /nfs/dbraw/zinc/79/56/22/969795622.db2.gz SDRQDWHKFAGOMX-ZDUSSCGKSA-N 2 2 222.376 2.249 20 0 BEADLP FC1(F)CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833228 969797143 /nfs/dbraw/zinc/79/71/43/969797143.db2.gz NXGNGTZXJAEOLJ-NEPJUHHUSA-N 2 2 244.329 2.248 20 0 BEADLP C(CC1CCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840637 969801574 /nfs/dbraw/zinc/80/15/74/969801574.db2.gz LAJGLGZLBPVHQI-CQSZACIVSA-N 2 2 222.376 2.251 20 0 BEADLP CC1(C)CC(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254851051 969803113 /nfs/dbraw/zinc/80/31/13/969803113.db2.gz KXQYEFTZQNGUBX-CQSZACIVSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)[C@@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254859419 969810502 /nfs/dbraw/zinc/81/05/02/969810502.db2.gz CYLVOKCBTYOZKG-MELADBBJSA-N 2 2 234.387 2.059 20 0 BEADLP CC1(C)[C@@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254859419 969810504 /nfs/dbraw/zinc/81/05/04/969810504.db2.gz CYLVOKCBTYOZKG-MELADBBJSA-N 2 2 234.387 2.059 20 0 BEADLP C[C@@H]1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865066 969813000 /nfs/dbraw/zinc/81/30/00/969813000.db2.gz WKBLIHGZZROELY-JSGCOSHPSA-N 2 2 234.387 2.345 20 0 BEADLP C[C@@H]1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865066 969813003 /nfs/dbraw/zinc/81/30/03/969813003.db2.gz WKBLIHGZZROELY-JSGCOSHPSA-N 2 2 234.387 2.345 20 0 BEADLP COc1cc[nH+]cc1NC(C)(C)CC[NH+](C)C ZINC001169718751 969832289 /nfs/dbraw/zinc/83/22/89/969832289.db2.gz VUSKLFSRLCGHSB-UHFFFAOYSA-N 2 2 237.347 2.232 20 0 BEADLP CCc1cc(Nc2c[nH+]c(C)c(N)c2)cc[nH+]1 ZINC001210289126 969857795 /nfs/dbraw/zinc/85/77/95/969857795.db2.gz VUFDADAJPIKXPZ-UHFFFAOYSA-N 2 2 228.299 2.095 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC001255084335 969917422 /nfs/dbraw/zinc/91/74/22/969917422.db2.gz ILGDOKXJUSKHLQ-ZDUSSCGKSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC001255084335 969917429 /nfs/dbraw/zinc/91/74/29/969917429.db2.gz ILGDOKXJUSKHLQ-ZDUSSCGKSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC001170090793 970233818 /nfs/dbraw/zinc/23/38/18/970233818.db2.gz PHDNCYGJXMRPRN-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC001170090793 970233825 /nfs/dbraw/zinc/23/38/25/970233825.db2.gz PHDNCYGJXMRPRN-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C)c(Nc2[nH+]ccn2C)c[nH+]1 ZINC001213503728 970335336 /nfs/dbraw/zinc/33/53/36/970335336.db2.gz UZCOLVJKINVKFN-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@H](C)C1)C2 ZINC001170137583 970412112 /nfs/dbraw/zinc/41/21/12/970412112.db2.gz OHEXOEXIJKDIFA-CMPLNLGQSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@H](C)C1)C2 ZINC001170137583 970412118 /nfs/dbraw/zinc/41/21/18/970412118.db2.gz OHEXOEXIJKDIFA-CMPLNLGQSA-N 2 2 219.332 2.196 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001170156328 970483596 /nfs/dbraw/zinc/48/35/96/970483596.db2.gz DARUGFXNDLKZPC-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001170156328 970483602 /nfs/dbraw/zinc/48/36/02/970483602.db2.gz DARUGFXNDLKZPC-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1 ZINC001170156328 970483612 /nfs/dbraw/zinc/48/36/12/970483612.db2.gz DARUGFXNDLKZPC-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1 ZINC001170156328 970483618 /nfs/dbraw/zinc/48/36/18/970483618.db2.gz DARUGFXNDLKZPC-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC001170160189 970498179 /nfs/dbraw/zinc/49/81/79/970498179.db2.gz YFCKKLXJBSYVLN-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C)C1 ZINC001170160189 970498185 /nfs/dbraw/zinc/49/81/85/970498185.db2.gz YFCKKLXJBSYVLN-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(CF)CC1 ZINC001255941249 970563814 /nfs/dbraw/zinc/56/38/14/970563814.db2.gz MLZRROVDQSMIIY-LLVKDONJSA-N 2 2 216.344 2.199 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccccc2)C1 ZINC000401218850 970668015 /nfs/dbraw/zinc/66/80/15/970668015.db2.gz XGEDOOLPAFSSCL-KBPBESRZSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccccc2)C1 ZINC000401218850 970668024 /nfs/dbraw/zinc/66/80/24/970668024.db2.gz XGEDOOLPAFSSCL-KBPBESRZSA-N 2 2 248.370 2.125 20 0 BEADLP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC001256145915 970670709 /nfs/dbraw/zinc/67/07/09/970670709.db2.gz OKUYSSDQKVHUNX-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC001256145915 970670714 /nfs/dbraw/zinc/67/07/14/970670714.db2.gz OKUYSSDQKVHUNX-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001327838974 972756179 /nfs/dbraw/zinc/75/61/79/972756179.db2.gz KLHTYYKELJBVBZ-MLGOLLRUSA-N 2 2 244.382 2.263 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827748 973116379 /nfs/dbraw/zinc/11/63/79/973116379.db2.gz QMRDMBKNULLBJB-XHDPSFHLSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827748 973116396 /nfs/dbraw/zinc/11/63/96/973116396.db2.gz QMRDMBKNULLBJB-XHDPSFHLSA-N 2 2 248.345 2.324 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001328681546 973264256 /nfs/dbraw/zinc/26/42/56/973264256.db2.gz NWWZFRVPROLUTO-OAHLLOKOSA-N 2 2 244.382 2.405 20 0 BEADLP C1[C@@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246922726 973510155 /nfs/dbraw/zinc/51/01/55/973510155.db2.gz WSDWMABAHSMYNU-GXTWGEPZSA-N 2 2 234.387 2.393 20 0 BEADLP C1[C@@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246922726 973510163 /nfs/dbraw/zinc/51/01/63/973510163.db2.gz WSDWMABAHSMYNU-GXTWGEPZSA-N 2 2 234.387 2.393 20 0 BEADLP CCCCC[C@@H](C)[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246926279 973556535 /nfs/dbraw/zinc/55/65/35/973556535.db2.gz CJSGMODFXMCPSY-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@@H](C)[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246926279 973556554 /nfs/dbraw/zinc/55/65/54/973556554.db2.gz CJSGMODFXMCPSY-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982625 973756748 /nfs/dbraw/zinc/75/67/48/973756748.db2.gz GOKVLLCUOLYXOY-YIYPIFLZSA-N 2 2 242.407 2.249 20 0 BEADLP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982625 973756760 /nfs/dbraw/zinc/75/67/60/973756760.db2.gz GOKVLLCUOLYXOY-YIYPIFLZSA-N 2 2 242.407 2.249 20 0 BEADLP Cc1ccc(C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC001330533571 974295866 /nfs/dbraw/zinc/29/58/66/974295866.db2.gz QMMSHSWBOYDZNT-KBPBESRZSA-N 2 2 234.387 2.466 20 0 BEADLP CC[NH+](CC)C[C@H](C)Oc1cc[nH+]cc1 ZINC001225290582 974359958 /nfs/dbraw/zinc/35/99/58/974359958.db2.gz BNUDJCJHTIJHEM-NSHDSACASA-N 2 2 208.305 2.191 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172315226 974521131 /nfs/dbraw/zinc/52/11/31/974521131.db2.gz GJIHGYJOLJOBCP-MELADBBJSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172315226 974521138 /nfs/dbraw/zinc/52/11/38/974521138.db2.gz GJIHGYJOLJOBCP-MELADBBJSA-N 2 2 242.407 2.264 20 0 BEADLP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001172417975 974691701 /nfs/dbraw/zinc/69/17/01/974691701.db2.gz YGIONEPMWRYEPT-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001172417975 974691705 /nfs/dbraw/zinc/69/17/05/974691705.db2.gz YGIONEPMWRYEPT-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1C[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CCO1 ZINC001173173278 975054260 /nfs/dbraw/zinc/05/42/60/975054260.db2.gz FGAIMTMPGVTPBC-YNEHKIRRSA-N 2 2 249.358 2.090 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CSCC ZINC001173290208 975258975 /nfs/dbraw/zinc/25/89/75/975258975.db2.gz CFIIEIKSRCJJAL-GFCCVEGCSA-N 2 2 232.437 2.450 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CSCC ZINC001173290208 975258986 /nfs/dbraw/zinc/25/89/86/975258986.db2.gz CFIIEIKSRCJJAL-GFCCVEGCSA-N 2 2 232.437 2.450 20 0 BEADLP Nc1cccc2[nH+]cn(-c3cc[nH+]cc3)c21 ZINC001173882697 975949325 /nfs/dbraw/zinc/94/93/25/975949325.db2.gz PFATWJZIDNRAIL-UHFFFAOYSA-N 2 2 210.240 2.003 20 0 BEADLP C[C@H](c1cccc(OC2C[NH+](C)C2)c1)[NH+](C)C ZINC001229618495 976912573 /nfs/dbraw/zinc/91/25/73/976912573.db2.gz BLOOGTFTEYKNPU-LLVKDONJSA-N 2 2 234.343 2.002 20 0 BEADLP COc1cc(Nc2cc[nH+]c(C)c2)cc(C)[nH+]1 ZINC001174652652 976939179 /nfs/dbraw/zinc/93/91/79/976939179.db2.gz BAVRUKPDHVJRCX-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP CCc1cc(Nc2ccc(N(C)C)[nH+]c2)cc[nH+]1 ZINC001175341385 977362853 /nfs/dbraw/zinc/36/28/53/977362853.db2.gz JLDQICDUVSLANC-UHFFFAOYSA-N 2 2 242.326 2.271 20 0 BEADLP CC(C)(C)C[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721642874 977632618 /nfs/dbraw/zinc/63/26/18/977632618.db2.gz RJBWWYSREKFBSF-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP CC(C)(C)C[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721642874 977632626 /nfs/dbraw/zinc/63/26/26/977632626.db2.gz RJBWWYSREKFBSF-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP CC1(C)C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001232011437 977837943 /nfs/dbraw/zinc/83/79/43/977837943.db2.gz KYAPERVGEATLKC-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP CC1(C)C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001232011437 977837949 /nfs/dbraw/zinc/83/79/49/977837949.db2.gz KYAPERVGEATLKC-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP COc1cc[nH+]cc1Nc1cc(C)[nH+]c(C)c1 ZINC001176054931 977901715 /nfs/dbraw/zinc/90/17/15/977901715.db2.gz OPMFYOVWXKXFIJ-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP Cc1cc(C)[nH+]c(N2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC000721838879 978051227 /nfs/dbraw/zinc/05/12/27/978051227.db2.gz VPJQPWLAIZJNBX-RYUDHWBXSA-N 2 2 219.332 2.014 20 0 BEADLP Cc1cc(F)cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC001337238258 978236616 /nfs/dbraw/zinc/23/66/16/978236616.db2.gz GBAFVNSTDSUXPX-YPMHNXCESA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC001337238258 978236634 /nfs/dbraw/zinc/23/66/34/978236634.db2.gz GBAFVNSTDSUXPX-YPMHNXCESA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC001337238254 978238626 /nfs/dbraw/zinc/23/86/26/978238626.db2.gz GBAFVNSTDSUXPX-DGCLKSJQSA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC001337238254 978238635 /nfs/dbraw/zinc/23/86/35/978238635.db2.gz GBAFVNSTDSUXPX-DGCLKSJQSA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(O)cc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001232880496 978322244 /nfs/dbraw/zinc/32/22/44/978322244.db2.gz OJNUTNAZBLTBBT-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1cc(O)cc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001232880496 978322249 /nfs/dbraw/zinc/32/22/49/978322249.db2.gz OJNUTNAZBLTBBT-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001337823807 978516174 /nfs/dbraw/zinc/51/61/74/978516174.db2.gz FACMEBQONVMZJI-UKRRQHHQSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001337823807 978516181 /nfs/dbraw/zinc/51/61/81/978516181.db2.gz FACMEBQONVMZJI-UKRRQHHQSA-N 2 2 245.370 2.093 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC001233363985 978577820 /nfs/dbraw/zinc/57/78/20/978577820.db2.gz JPFRCIMKBWMLJK-YPMHNXCESA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC001233363985 978577825 /nfs/dbraw/zinc/57/78/25/978577825.db2.gz JPFRCIMKBWMLJK-YPMHNXCESA-N 2 2 227.311 2.319 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccsc2)C1 ZINC001206343366 978623439 /nfs/dbraw/zinc/62/34/39/978623439.db2.gz FKSFPSQAVYNGHP-GFCCVEGCSA-N 2 2 242.363 2.401 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccsc2)C1 ZINC001206343366 978623441 /nfs/dbraw/zinc/62/34/41/978623441.db2.gz FKSFPSQAVYNGHP-GFCCVEGCSA-N 2 2 242.363 2.401 20 0 BEADLP CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234033364 978759423 /nfs/dbraw/zinc/75/94/23/978759423.db2.gz RXNULYVSBCOBGB-UHFFFAOYSA-N 2 2 245.326 2.333 20 0 BEADLP CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234033364 978759425 /nfs/dbraw/zinc/75/94/25/978759425.db2.gz RXNULYVSBCOBGB-UHFFFAOYSA-N 2 2 245.326 2.333 20 0 BEADLP C[C@H](C[NH+]1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000441155975 978818157 /nfs/dbraw/zinc/81/81/57/978818157.db2.gz KEHZGMMHINLOTE-SECBINFHSA-N 2 2 238.297 2.211 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001180311044 978854791 /nfs/dbraw/zinc/85/47/91/978854791.db2.gz WPDCZTDOKVJGGY-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000070643647 978861489 /nfs/dbraw/zinc/86/14/89/978861489.db2.gz WGJXOXSRYDAARB-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC001235008749 978951723 /nfs/dbraw/zinc/95/17/23/978951723.db2.gz ZXSHBDYHQHYHCN-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC001235008749 978951730 /nfs/dbraw/zinc/95/17/30/978951730.db2.gz ZXSHBDYHQHYHCN-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235041994 978961488 /nfs/dbraw/zinc/96/14/88/978961488.db2.gz OADWVTQJSVDKII-LSDHHAIUSA-N 2 2 230.355 2.240 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235041994 978961492 /nfs/dbraw/zinc/96/14/92/978961492.db2.gz OADWVTQJSVDKII-LSDHHAIUSA-N 2 2 230.355 2.240 20 0 BEADLP CC/C=C\CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073484 978970390 /nfs/dbraw/zinc/97/03/90/978970390.db2.gz RIVUHOWLRXEREL-FGTRRKKMSA-N 2 2 208.349 2.169 20 0 BEADLP CC/C=C\CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073484 978970394 /nfs/dbraw/zinc/97/03/94/978970394.db2.gz RIVUHOWLRXEREL-FGTRRKKMSA-N 2 2 208.349 2.169 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077703 978972211 /nfs/dbraw/zinc/97/22/11/978972211.db2.gz OADWVTQJSVDKII-HUUCEWRRSA-N 2 2 230.355 2.240 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077703 978972214 /nfs/dbraw/zinc/97/22/14/978972214.db2.gz OADWVTQJSVDKII-HUUCEWRRSA-N 2 2 230.355 2.240 20 0 BEADLP C[NH2+]CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672958 979111139 /nfs/dbraw/zinc/11/11/39/979111139.db2.gz JUDPMRRWNRXOOF-OAHLLOKOSA-N 2 2 232.371 2.161 20 0 BEADLP C[NH2+]CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235672958 979111150 /nfs/dbraw/zinc/11/11/50/979111150.db2.gz JUDPMRRWNRXOOF-OAHLLOKOSA-N 2 2 232.371 2.161 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001235674861 979114352 /nfs/dbraw/zinc/11/43/52/979114352.db2.gz ROTSVAUWLOAGGE-LLVKDONJSA-N 2 2 236.334 2.352 20 0 BEADLP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235978110 979248981 /nfs/dbraw/zinc/24/89/81/979248981.db2.gz ISCRMKAYWMBMBD-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235978110 979248994 /nfs/dbraw/zinc/24/89/94/979248994.db2.gz ISCRMKAYWMBMBD-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC001235997896 979291152 /nfs/dbraw/zinc/29/11/52/979291152.db2.gz XBHNZTSOJYQFOR-HIFRSBDPSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC001235997896 979291159 /nfs/dbraw/zinc/29/11/59/979291159.db2.gz XBHNZTSOJYQFOR-HIFRSBDPSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001236020802 979315409 /nfs/dbraw/zinc/31/54/09/979315409.db2.gz LTBVFYROEYEILM-HZPDHXFCSA-N 2 2 238.334 2.373 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001236020802 979315421 /nfs/dbraw/zinc/31/54/21/979315421.db2.gz LTBVFYROEYEILM-HZPDHXFCSA-N 2 2 238.334 2.373 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(-n2cccc2)cc1 ZINC001236145379 979414153 /nfs/dbraw/zinc/41/41/53/979414153.db2.gz ZYJURQGLVZKADZ-UHFFFAOYSA-N 2 2 243.354 2.258 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(-n2cccc2)cc1 ZINC001236145379 979414165 /nfs/dbraw/zinc/41/41/65/979414165.db2.gz ZYJURQGLVZKADZ-UHFFFAOYSA-N 2 2 243.354 2.258 20 0 BEADLP CNc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236209354 979448690 /nfs/dbraw/zinc/44/86/90/979448690.db2.gz KWOWAVQEHWYIIX-HNNXBMFYSA-N 2 2 247.386 2.302 20 0 BEADLP CNc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236209354 979448696 /nfs/dbraw/zinc/44/86/96/979448696.db2.gz KWOWAVQEHWYIIX-HNNXBMFYSA-N 2 2 247.386 2.302 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2cccnc2c1 ZINC001236246022 979466162 /nfs/dbraw/zinc/46/61/62/979466162.db2.gz UFPIAVZQEFKMTR-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2cccnc2c1 ZINC001236246022 979466169 /nfs/dbraw/zinc/46/61/69/979466169.db2.gz UFPIAVZQEFKMTR-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP Nc1ccc(-c2ccc3[nH]cc(C[NH3+])c3c2)c[nH+]1 ZINC001236318382 979530931 /nfs/dbraw/zinc/53/09/31/979530931.db2.gz QYUFOKRUSQYPIR-UHFFFAOYSA-N 2 2 238.294 2.271 20 0 BEADLP CC/C=C\CCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334298 979536781 /nfs/dbraw/zinc/53/67/81/979536781.db2.gz ODEDDGAVQNWQLT-WSNITJDQSA-N 2 2 240.391 2.043 20 0 BEADLP CC/C=C\CCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334298 979536792 /nfs/dbraw/zinc/53/67/92/979536792.db2.gz ODEDDGAVQNWQLT-WSNITJDQSA-N 2 2 240.391 2.043 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC001183001060 979694498 /nfs/dbraw/zinc/69/44/98/979694498.db2.gz RPXLNFIYEQPUSJ-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC001183001060 979694501 /nfs/dbraw/zinc/69/45/01/979694501.db2.gz RPXLNFIYEQPUSJ-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+](C)C[C@H](C)[NH3+])c2c1 ZINC001236885454 979779471 /nfs/dbraw/zinc/77/94/71/979779471.db2.gz ISGOLXJBSCXCPF-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+](C)C[C@H](C)[NH3+])c2c1 ZINC001236885454 979779476 /nfs/dbraw/zinc/77/94/76/979779476.db2.gz ISGOLXJBSCXCPF-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2cccnc2s1 ZINC001236904862 979793382 /nfs/dbraw/zinc/79/33/82/979793382.db2.gz SPLDAIBMUDBWBG-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2cccnc2s1 ZINC001236904862 979793399 /nfs/dbraw/zinc/79/33/99/979793399.db2.gz SPLDAIBMUDBWBG-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP c1cn2cc(CC[NH+]3CCCCC3)ccc2[nH+]1 ZINC001250240677 980376707 /nfs/dbraw/zinc/37/67/07/980376707.db2.gz RSPAFIVCKIMTDO-UHFFFAOYSA-N 2 2 229.327 2.363 20 0 BEADLP Cc1cc(C2=CCC[NH2+]CC2)c(C)c[nH+]1 ZINC001238944396 980382265 /nfs/dbraw/zinc/38/22/65/980382265.db2.gz HRCQFDRWEPRRTF-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP COc1cc2[nH+]ccn2cc1C1=CCC[NH2+]CC1 ZINC001238948459 980386622 /nfs/dbraw/zinc/38/66/22/980386622.db2.gz WAFZEQBXUWINNE-UHFFFAOYSA-N 2 2 243.310 2.110 20 0 BEADLP Cc1cc(-c2cncc(C[NH3+])c2)c2[nH+]ccn2c1 ZINC001239799157 980937591 /nfs/dbraw/zinc/93/75/91/980937591.db2.gz NZIWYXFLKDBJBZ-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP Cc1cc2[nH+]ccn2cc1-c1cncc(C[NH3+])c1 ZINC001239799068 980937689 /nfs/dbraw/zinc/93/76/89/980937689.db2.gz LPOAATOPVOHEPS-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP Cc1cc(F)cc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC001347906484 981214400 /nfs/dbraw/zinc/21/44/00/981214400.db2.gz OPVBBJDGZRCIAR-LLVKDONJSA-N 2 2 249.333 2.425 20 0 BEADLP Cc1cc(F)cc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC001347906484 981214407 /nfs/dbraw/zinc/21/44/07/981214407.db2.gz OPVBBJDGZRCIAR-LLVKDONJSA-N 2 2 249.333 2.425 20 0 BEADLP Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)[nH+]c1N ZINC001240454716 981391622 /nfs/dbraw/zinc/39/16/22/981391622.db2.gz PZMWNQBTYBUGLT-UHFFFAOYSA-N 2 2 239.322 2.285 20 0 BEADLP c1cc(N2CCCCC2)cc(C2=CC[NH2+]CC2)[nH+]1 ZINC001240466064 981399379 /nfs/dbraw/zinc/39/93/79/981399379.db2.gz PKJYKCQTVJDLAZ-UHFFFAOYSA-N 2 2 243.354 2.449 20 0 BEADLP c1cn(Cc2ccccc2C2=CCC[NH2+]C2)c[nH+]1 ZINC001240664416 981572283 /nfs/dbraw/zinc/57/22/83/981572283.db2.gz IPEXBWKSZUOXCB-UHFFFAOYSA-N 2 2 239.322 2.308 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+]C[C@H]2CC[NH2+]2)c1 ZINC001580891954 981729838 /nfs/dbraw/zinc/72/98/38/981729838.db2.gz KKGPTQFFAVOLGP-CYBMUJFWSA-N 2 2 216.328 2.016 20 0 BEADLP Cc1cc[nH+]c(C)c1C=C1CC[NH2+]CC1 ZINC001240876626 981925911 /nfs/dbraw/zinc/92/59/11/981925911.db2.gz ACZJTNLHQNIXPQ-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP Cc1cc(C=C2CC[NH2+]CC2)c(C)c[nH+]1 ZINC001240877474 981928964 /nfs/dbraw/zinc/92/89/64/981928964.db2.gz WTDJDVUJAJILKL-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC001203301085 982313739 /nfs/dbraw/zinc/31/37/39/982313739.db2.gz AYLYCSNKTFPCIZ-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)o1 ZINC001203301085 982313756 /nfs/dbraw/zinc/31/37/56/982313756.db2.gz AYLYCSNKTFPCIZ-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Nc1cc(-c2cccc(C3([NH3+])CC3)c2)cc[nH+]1 ZINC001241170930 982322485 /nfs/dbraw/zinc/32/24/85/982322485.db2.gz YJHOLPPCJKUYKM-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)o1 ZINC001205761079 982403793 /nfs/dbraw/zinc/40/37/93/982403793.db2.gz FZFJMENXMOBOPN-SNVBAGLBSA-N 2 2 244.285 2.004 20 0 BEADLP C[NH2+]C(C)(C)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001351998326 982431152 /nfs/dbraw/zinc/43/11/52/982431152.db2.gz REXZDFWHZPLFIQ-UHFFFAOYSA-N 2 2 248.374 2.462 20 0 BEADLP Cn1ccc2c1cc[nH+]c2C1=CC[N@H+](C)CC1 ZINC001241307423 982445352 /nfs/dbraw/zinc/44/53/52/982445352.db2.gz BBHUSAJIBVZOOF-UHFFFAOYSA-N 2 2 227.311 2.292 20 0 BEADLP Cn1ccc2c1cc[nH+]c2C1=CC[N@@H+](C)CC1 ZINC001241307423 982445355 /nfs/dbraw/zinc/44/53/55/982445355.db2.gz BBHUSAJIBVZOOF-UHFFFAOYSA-N 2 2 227.311 2.292 20 0 BEADLP CNc1ccccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205838168 982695776 /nfs/dbraw/zinc/69/57/76/982695776.db2.gz BABYIKWGRISICC-TZMCWYRMSA-N 2 2 247.386 2.288 20 0 BEADLP CNc1ccccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205838168 982695785 /nfs/dbraw/zinc/69/57/85/982695785.db2.gz BABYIKWGRISICC-TZMCWYRMSA-N 2 2 247.386 2.288 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(C)n1 ZINC001205838855 982720442 /nfs/dbraw/zinc/72/04/42/982720442.db2.gz DJTKVHWMZBVHCI-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c(C)n1 ZINC001205838855 982720455 /nfs/dbraw/zinc/72/04/55/982720455.db2.gz DJTKVHWMZBVHCI-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1O ZINC001205844824 982780888 /nfs/dbraw/zinc/78/08/88/982780888.db2.gz YMMVLFHWLWKLFK-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1O ZINC001205844824 982780903 /nfs/dbraw/zinc/78/09/03/982780903.db2.gz YMMVLFHWLWKLFK-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP [NH3+]Cc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001241912347 983128552 /nfs/dbraw/zinc/12/85/52/983128552.db2.gz YBVXPHPZCJXDND-UHFFFAOYSA-N 2 2 224.267 2.035 20 0 BEADLP CN(C)c1cc(-c2ccc(C[NH3+])cc2)cc[nH+]1 ZINC001241913074 983130145 /nfs/dbraw/zinc/13/01/45/983130145.db2.gz KQCOLOMMAUIWAJ-UHFFFAOYSA-N 2 2 227.311 2.273 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201429827 983227553 /nfs/dbraw/zinc/22/75/53/983227553.db2.gz XGXFRVGILRDPKA-ZNMIVQPWSA-N 2 2 234.387 2.369 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201429827 983227558 /nfs/dbraw/zinc/22/75/58/983227558.db2.gz XGXFRVGILRDPKA-ZNMIVQPWSA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201429827 983227572 /nfs/dbraw/zinc/22/75/72/983227572.db2.gz XGXFRVGILRDPKA-ZNMIVQPWSA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC001201429827 983227578 /nfs/dbraw/zinc/22/75/78/983227578.db2.gz XGXFRVGILRDPKA-ZNMIVQPWSA-N 2 2 234.387 2.369 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1cccc(C[NH+](C)C)n1 ZINC001242077723 983325529 /nfs/dbraw/zinc/32/55/29/983325529.db2.gz JBGPTRMTUHWGSU-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP CCCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001201744329 983451983 /nfs/dbraw/zinc/45/19/83/983451983.db2.gz INQUAOHEVLUCBV-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP CCCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001201744329 983451993 /nfs/dbraw/zinc/45/19/93/983451993.db2.gz INQUAOHEVLUCBV-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202190297 983595840 /nfs/dbraw/zinc/59/58/40/983595840.db2.gz NOAQXSRFJVFOON-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202190297 983595850 /nfs/dbraw/zinc/59/58/50/983595850.db2.gz NOAQXSRFJVFOON-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]21 ZINC001202190297 983595858 /nfs/dbraw/zinc/59/58/58/983595858.db2.gz NOAQXSRFJVFOON-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001202190297 983595866 /nfs/dbraw/zinc/59/58/66/983595866.db2.gz NOAQXSRFJVFOON-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)CCC(F)(F)F ZINC001202356032 983638699 /nfs/dbraw/zinc/63/86/99/983638699.db2.gz IRHWSINUJGYJJV-UHFFFAOYSA-N 2 2 226.286 2.212 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)CCC(F)(F)F ZINC001202356032 983638716 /nfs/dbraw/zinc/63/87/16/983638716.db2.gz IRHWSINUJGYJJV-UHFFFAOYSA-N 2 2 226.286 2.212 20 0 BEADLP C[C@]1([NH2+]Cc2cccc3cc[nH]c32)CC[NH2+]C1 ZINC001573625440 984038320 /nfs/dbraw/zinc/03/83/20/984038320.db2.gz JTXVNYZBUQDLGH-AWEZNQCLSA-N 2 2 229.327 2.010 20 0 BEADLP C[NH2+]Cc1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001242997890 984364968 /nfs/dbraw/zinc/36/49/68/984364968.db2.gz RGDWEXXKDWQYKS-JNKBEKGTSA-N 2 2 202.301 2.282 20 0 BEADLP CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275084980 984478074 /nfs/dbraw/zinc/47/80/74/984478074.db2.gz KBZVQQDKVUUJNY-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP CC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275084980 984478081 /nfs/dbraw/zinc/47/80/81/984478081.db2.gz KBZVQQDKVUUJNY-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP CC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275084980 984478096 /nfs/dbraw/zinc/47/80/96/984478096.db2.gz KBZVQQDKVUUJNY-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275084980 984478109 /nfs/dbraw/zinc/47/81/09/984478109.db2.gz KBZVQQDKVUUJNY-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP CCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275108386 984489973 /nfs/dbraw/zinc/48/99/73/984489973.db2.gz OUJBNNMFXUGMGF-UHFFFAOYSA-N 2 2 222.376 2.347 20 0 BEADLP CCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275108386 984489979 /nfs/dbraw/zinc/48/99/79/984489979.db2.gz OUJBNNMFXUGMGF-UHFFFAOYSA-N 2 2 222.376 2.347 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC001256720052 984601385 /nfs/dbraw/zinc/60/13/85/984601385.db2.gz AHMUEYAAZOEMLB-HIFRSBDPSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC001256720052 984601398 /nfs/dbraw/zinc/60/13/98/984601398.db2.gz AHMUEYAAZOEMLB-HIFRSBDPSA-N 2 2 247.386 2.085 20 0 BEADLP CCc1cc(NCCC(C)(C)[NH3+])nc(CC)[nH+]1 ZINC001578249275 984901744 /nfs/dbraw/zinc/90/17/44/984901744.db2.gz XELAJASPNCJPPC-UHFFFAOYSA-N 2 2 236.363 2.141 20 0 BEADLP Nc1[nH+]cccc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001243474234 985022796 /nfs/dbraw/zinc/02/27/96/985022796.db2.gz UUDNIVVDMIASPR-ZDUSSCGKSA-N 2 2 225.295 2.277 20 0 BEADLP C[C@H]([NH3+])c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477021 985038245 /nfs/dbraw/zinc/03/82/45/985038245.db2.gz XPULXTHXDGAWCY-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP C[N@H+](CC[NH3+])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001578471110 985104072 /nfs/dbraw/zinc/10/40/72/985104072.db2.gz SNHFRCJBIXFEFV-ZIAGYGMSSA-N 2 2 248.370 2.123 20 0 BEADLP C[N@@H+](CC[NH3+])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001578471110 985104082 /nfs/dbraw/zinc/10/40/82/985104082.db2.gz SNHFRCJBIXFEFV-ZIAGYGMSSA-N 2 2 248.370 2.123 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCSC ZINC001258199165 985598834 /nfs/dbraw/zinc/59/88/34/985598834.db2.gz UWNNXBNJFCGCAT-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258196923 985592053 /nfs/dbraw/zinc/59/20/53/985592053.db2.gz BNTLSOYACQAMAQ-UMVBOHGHSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258196923 985592075 /nfs/dbraw/zinc/59/20/75/985592075.db2.gz BNTLSOYACQAMAQ-UMVBOHGHSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258196923 985592100 /nfs/dbraw/zinc/59/21/00/985592100.db2.gz BNTLSOYACQAMAQ-UMVBOHGHSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258196923 985592114 /nfs/dbraw/zinc/59/21/14/985592114.db2.gz BNTLSOYACQAMAQ-UMVBOHGHSA-N 2 2 248.370 2.237 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCSC ZINC001258199165 985598818 /nfs/dbraw/zinc/59/88/18/985598818.db2.gz UWNNXBNJFCGCAT-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCSC ZINC001258199167 985602358 /nfs/dbraw/zinc/60/23/58/985602358.db2.gz UWNNXBNJFCGCAT-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCSC ZINC001258199167 985602370 /nfs/dbraw/zinc/60/23/70/985602370.db2.gz UWNNXBNJFCGCAT-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP Cc1[nH+]cn([C@@H](C)CC2CC2)c1CC[NH3+] ZINC001258449224 985891888 /nfs/dbraw/zinc/89/18/88/985891888.db2.gz ZFQNQADTBQDYDN-VIFPVBQESA-N 2 2 207.321 2.054 20 0 BEADLP CC[N@H+](C)[C@H]1CCN(Cc2cc(C)cc(C)[nH+]2)C1 ZINC001460985434 985988690 /nfs/dbraw/zinc/98/86/90/985988690.db2.gz BLKKPEVKNCLUNE-HNNXBMFYSA-N 2 2 247.386 2.224 20 0 BEADLP CC[N@@H+](C)[C@H]1CCN(Cc2cc(C)cc(C)[nH+]2)C1 ZINC001460985434 985988706 /nfs/dbraw/zinc/98/87/06/985988706.db2.gz BLKKPEVKNCLUNE-HNNXBMFYSA-N 2 2 247.386 2.224 20 0 BEADLP CC[C@H]1C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC001460997908 985992692 /nfs/dbraw/zinc/99/26/92/985992692.db2.gz WAALCMMTWWFUHB-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NC[C@H]2CC[C@@H]([NH3+])C2)nc(C2CC2)[nH+]1 ZINC001579635436 986152867 /nfs/dbraw/zinc/15/28/67/986152867.db2.gz GTFQYVWCMAPVJD-CMPLNLGQSA-N 2 2 246.358 2.202 20 0 BEADLP Cc1cccc(C[NH2+][C@@]2(C[NH3+])CCCC[C@@H]2C)n1 ZINC001579760189 986209028 /nfs/dbraw/zinc/20/90/28/986209028.db2.gz BAMWMYMDFMASTP-SWLSCSKDSA-N 2 2 247.386 2.387 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC001462480785 986404470 /nfs/dbraw/zinc/40/44/70/986404470.db2.gz QGPYJWPTWMTZIP-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC001462480785 986404477 /nfs/dbraw/zinc/40/44/77/986404477.db2.gz QGPYJWPTWMTZIP-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC3)CC2)[nH]1 ZINC001137333669 986796757 /nfs/dbraw/zinc/79/67/57/986796757.db2.gz OOHNPJABTXAYAA-UHFFFAOYSA-N 2 2 247.386 2.302 20 0 BEADLP C/C(=C\C=C\[NH3+])C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245425398 986845806 /nfs/dbraw/zinc/84/58/06/986845806.db2.gz ODJFMNNCODHGDI-JHUCVJFASA-N 2 2 248.370 2.216 20 0 BEADLP C[NH2+]Cc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001245541712 986932409 /nfs/dbraw/zinc/93/24/09/986932409.db2.gz WTZUZJCFWDZFCK-UHFFFAOYSA-N 2 2 227.311 2.359 20 0 BEADLP Cc1ccc(C[C@@H](C)n2cc[nH+]c2CC[NH3+])cc1 ZINC001255775590 987069121 /nfs/dbraw/zinc/06/91/21/987069121.db2.gz ZRABDIDCFBQOBY-CYBMUJFWSA-N 2 2 243.354 2.496 20 0 BEADLP CC(C)(C)[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC001256569704 987235019 /nfs/dbraw/zinc/23/50/19/987235019.db2.gz NUUPPNWNXGOWQA-UHFFFAOYSA-N 2 2 242.432 2.298 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246093363 987401269 /nfs/dbraw/zinc/40/12/69/987401269.db2.gz VVYACZZIDAXJTI-BDAKNGLRSA-N 2 2 224.270 2.059 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246093366 987402132 /nfs/dbraw/zinc/40/21/32/987402132.db2.gz VVYACZZIDAXJTI-RKDXNWHRSA-N 2 2 224.270 2.059 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1O ZINC001246100592 987418694 /nfs/dbraw/zinc/41/86/94/987418694.db2.gz NHHPMOLMNPNQGL-IHRRRGAJSA-N 2 2 242.407 2.048 20 0 BEADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246100963 987422624 /nfs/dbraw/zinc/42/26/24/987422624.db2.gz USFAFMHNUJZDDW-IJLUTSLNSA-N 2 2 216.344 2.101 20 0 BEADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246104587 987435225 /nfs/dbraw/zinc/43/52/25/987435225.db2.gz BHDOHLZFGYEKPH-NDBYEHHHSA-N 2 2 230.371 2.491 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106238 987439073 /nfs/dbraw/zinc/43/90/73/987439073.db2.gz OQLPKGABNBPREF-UPJWGTAASA-N 2 2 236.359 2.188 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246172022 987540593 /nfs/dbraw/zinc/54/05/93/987540593.db2.gz YJDBNEUJLKDCFE-AWEZNQCLSA-N 2 2 248.370 2.106 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNc3ccccc32)C[NH2+]1 ZINC001246229906 987625011 /nfs/dbraw/zinc/62/50/11/987625011.db2.gz LWTPRBXLSTYHSA-JMSVASOKSA-N 2 2 245.370 2.273 20 0 BEADLP CCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238266 987638884 /nfs/dbraw/zinc/63/88/84/987638884.db2.gz FLNQMGSPUZWHCX-IHRRRGAJSA-N 2 2 242.407 2.312 20 0 BEADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC001246240570 987640784 /nfs/dbraw/zinc/64/07/84/987640784.db2.gz QSEGUJJSAUOOAZ-MQYQWHSLSA-N 2 2 242.407 2.024 20 0 BEADLP Fc1ccc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246281784 987676793 /nfs/dbraw/zinc/67/67/93/987676793.db2.gz PPAQCZYUPZGEOI-HZSPNIEDSA-N 2 2 234.318 2.023 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N)cc1 ZINC001246291269 987682768 /nfs/dbraw/zinc/68/27/68/987682768.db2.gz TUHWTVFAMJHBHK-GYSYKLTISA-N 2 2 233.359 2.060 20 0 BEADLP c1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246313825 987715338 /nfs/dbraw/zinc/71/53/38/987715338.db2.gz UVWXBVGWOQUNFD-CQSZACIVSA-N 2 2 230.355 2.407 20 0 BEADLP CC1(C)CCC[C@H]([NH2+]C[C@H]2CSCC[NH2+]2)C1 ZINC001246334490 987742155 /nfs/dbraw/zinc/74/21/55/987742155.db2.gz DBYVWLVLKBGRSQ-RYUDHWBXSA-N 2 2 242.432 2.250 20 0 BEADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CS2 ZINC001246360973 987769527 /nfs/dbraw/zinc/76/95/27/987769527.db2.gz YFVOJMHAXNHZEV-CHWSQXEVSA-N 2 2 248.395 2.045 20 0 BEADLP Fc1cccc(CC2([NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC001246394071 987785015 /nfs/dbraw/zinc/78/50/15/987785015.db2.gz YLWDDVVAMVDCBR-AWEZNQCLSA-N 2 2 248.345 2.242 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3sccc32)C[NH2+]1 ZINC001246478159 987834922 /nfs/dbraw/zinc/83/49/22/987834922.db2.gz LRROKOXPBVEPJQ-FOGDFJRCSA-N 2 2 236.384 2.466 20 0 BEADLP C[C@H]1CC([NH2+][C@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC001246508183 987862288 /nfs/dbraw/zinc/86/22/88/987862288.db2.gz QWUGCKOHVKYLFP-SLEUVZQESA-N 2 2 248.370 2.232 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)no1 ZINC001246525584 987877781 /nfs/dbraw/zinc/87/77/81/987877781.db2.gz JUMSNOXVPSGFBC-SUHUHFCYSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2CC[NH2+][C@@H](C)C2)no1 ZINC001246525584 987877782 /nfs/dbraw/zinc/87/77/82/987877782.db2.gz JUMSNOXVPSGFBC-SUHUHFCYSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1ccc(C[C@H](C)[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001246535029 987895243 /nfs/dbraw/zinc/89/52/43/987895243.db2.gz UWJIGYNKTMZGKL-DZGCQCFKSA-N 2 2 244.382 2.349 20 0 BEADLP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001246535029 987895245 /nfs/dbraw/zinc/89/52/45/987895245.db2.gz UWJIGYNKTMZGKL-DZGCQCFKSA-N 2 2 244.382 2.349 20 0 BEADLP CCCC[C@@H](CCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546373 987927802 /nfs/dbraw/zinc/92/78/02/987927802.db2.gz GHHUXCRRRVRWKH-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](CCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246546373 987927813 /nfs/dbraw/zinc/92/78/13/987927813.db2.gz GHHUXCRRRVRWKH-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595830 988183576 /nfs/dbraw/zinc/18/35/76/988183576.db2.gz JANHVGONGNPGEA-GHMZBOCLSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595830 988183591 /nfs/dbraw/zinc/18/35/91/988183591.db2.gz JANHVGONGNPGEA-GHMZBOCLSA-N 2 2 246.345 2.494 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)C1(C)C ZINC001118367703 988257599 /nfs/dbraw/zinc/25/75/99/988257599.db2.gz BJKNCDZDDYPSJD-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)C1(C)C ZINC001118367703 988257624 /nfs/dbraw/zinc/25/76/24/988257624.db2.gz BJKNCDZDDYPSJD-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP FC1(F)CC2(C1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246624336 988282679 /nfs/dbraw/zinc/28/26/79/988282679.db2.gz MMFSURNLZZPQSZ-NSHDSACASA-N 2 2 244.329 2.250 20 0 BEADLP CC1(C)CCC[C@@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246651267 988377078 /nfs/dbraw/zinc/37/70/78/988377078.db2.gz CJXKYNYCQSGVNH-OUCADQQQSA-N 2 2 222.376 2.378 20 0 BEADLP CC1(C)CCC[C@@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246651267 988377096 /nfs/dbraw/zinc/37/70/96/988377096.db2.gz CJXKYNYCQSGVNH-OUCADQQQSA-N 2 2 222.376 2.378 20 0 BEADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCF)[nH+]1 ZINC001322863162 988393076 /nfs/dbraw/zinc/39/30/76/988393076.db2.gz SGAAFLCBAZNZEW-GFCCVEGCSA-N 2 2 237.322 2.236 20 0 BEADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCF)[nH+]1 ZINC001322863162 988393089 /nfs/dbraw/zinc/39/30/89/988393089.db2.gz SGAAFLCBAZNZEW-GFCCVEGCSA-N 2 2 237.322 2.236 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822653 988510543 /nfs/dbraw/zinc/51/05/43/988510543.db2.gz MHQYRXXJVDGHES-PWSUYJOCSA-N 2 2 234.318 2.282 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822653 988510559 /nfs/dbraw/zinc/51/05/59/988510559.db2.gz MHQYRXXJVDGHES-PWSUYJOCSA-N 2 2 234.318 2.282 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827746 988517159 /nfs/dbraw/zinc/51/71/59/988517159.db2.gz QMRDMBKNULLBJB-IAQYHMDHSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827746 988517171 /nfs/dbraw/zinc/51/71/71/988517171.db2.gz QMRDMBKNULLBJB-IAQYHMDHSA-N 2 2 248.345 2.324 20 0 BEADLP CCCCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246848248 988565389 /nfs/dbraw/zinc/56/53/89/988565389.db2.gz XXLCNEUKRUFFFX-HZSPNIEDSA-N 2 2 242.407 2.129 20 0 BEADLP CCCCCC[C@@H](CCC)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246848248 988565397 /nfs/dbraw/zinc/56/53/97/988565397.db2.gz XXLCNEUKRUFFFX-HZSPNIEDSA-N 2 2 242.407 2.129 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880258 988651916 /nfs/dbraw/zinc/65/19/16/988651916.db2.gz ILURARKZKKOXTQ-XHDPSFHLSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880258 988651919 /nfs/dbraw/zinc/65/19/19/988651919.db2.gz ILURARKZKKOXTQ-XHDPSFHLSA-N 2 2 248.345 2.324 20 0 BEADLP CCCC[C@H](CCC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982956 988807001 /nfs/dbraw/zinc/80/70/01/988807001.db2.gz KYEVYLGNPLQKPB-RWMBFGLXSA-N 2 2 228.380 2.003 20 0 BEADLP CCCC[C@H](CCC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982956 988807002 /nfs/dbraw/zinc/80/70/02/988807002.db2.gz KYEVYLGNPLQKPB-RWMBFGLXSA-N 2 2 228.380 2.003 20 0 BEADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983846 988815146 /nfs/dbraw/zinc/81/51/46/988815146.db2.gz UONKNRCQWIKVQA-HZSPNIEDSA-N 2 2 242.407 2.249 20 0 BEADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983846 988815147 /nfs/dbraw/zinc/81/51/47/988815147.db2.gz UONKNRCQWIKVQA-HZSPNIEDSA-N 2 2 242.407 2.249 20 0 BEADLP CCCCC[C@@H](CC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982961 988817187 /nfs/dbraw/zinc/81/71/87/988817187.db2.gz LGMIVICJYIOBIK-FRRDWIJNSA-N 2 2 228.380 2.003 20 0 BEADLP CCCCC[C@@H](CC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982961 988817199 /nfs/dbraw/zinc/81/71/99/988817199.db2.gz LGMIVICJYIOBIK-FRRDWIJNSA-N 2 2 228.380 2.003 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001325627777 989218505 /nfs/dbraw/zinc/21/85/05/989218505.db2.gz WLXKRTVGBLSDPK-LRDDRELGSA-N 2 2 244.382 2.405 20 0 BEADLP CC[C@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@@H]1CCCO1 ZINC001119733194 989372915 /nfs/dbraw/zinc/37/29/15/989372915.db2.gz ZGIOHSSKZXEFMJ-AAEUAGOBSA-N 2 2 237.347 2.074 20 0 BEADLP Cc1cc(F)cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001120896118 989949839 /nfs/dbraw/zinc/94/98/39/989949839.db2.gz JNTSAVSRRWKPIL-LLVKDONJSA-N 2 2 237.322 2.283 20 0 BEADLP Cc1cc(F)cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001120896118 989949858 /nfs/dbraw/zinc/94/98/58/989949858.db2.gz JNTSAVSRRWKPIL-LLVKDONJSA-N 2 2 237.322 2.283 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC(O)(CC)CC)C1 ZINC001308691728 991096719 /nfs/dbraw/zinc/09/67/19/991096719.db2.gz WMZMXIICAIDNCU-CYBMUJFWSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC(O)(CC)CC)C1 ZINC001308691728 991096724 /nfs/dbraw/zinc/09/67/24/991096724.db2.gz WMZMXIICAIDNCU-CYBMUJFWSA-N 2 2 242.407 2.002 20 0 BEADLP CSCC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001258202901 991120525 /nfs/dbraw/zinc/12/05/25/991120525.db2.gz ZFZYDBFCIWDURH-VIFPVBQESA-N 2 2 227.377 2.007 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC001258314632 991236735 /nfs/dbraw/zinc/23/67/35/991236735.db2.gz HPVSDWNGPAQGPK-WDEREUQCSA-N 2 2 232.437 2.446 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258456590 991409539 /nfs/dbraw/zinc/40/95/39/991409539.db2.gz OHOMWDHIDPXPFJ-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258456590 991409544 /nfs/dbraw/zinc/40/95/44/991409544.db2.gz OHOMWDHIDPXPFJ-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)nc1 ZINC001139934441 991427981 /nfs/dbraw/zinc/42/79/81/991427981.db2.gz OVGLOLVVQDVFBF-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)nc1 ZINC001139934441 991427987 /nfs/dbraw/zinc/42/79/87/991427987.db2.gz OVGLOLVVQDVFBF-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP C[C@H](CC1CC1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258470914 991433575 /nfs/dbraw/zinc/43/35/75/991433575.db2.gz SOPMEKCZHAQHFB-MRVWCRGKSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258470914 991433583 /nfs/dbraw/zinc/43/35/83/991433583.db2.gz SOPMEKCZHAQHFB-MRVWCRGKSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258470914 991433589 /nfs/dbraw/zinc/43/35/89/991433589.db2.gz SOPMEKCZHAQHFB-MRVWCRGKSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258470914 991433595 /nfs/dbraw/zinc/43/35/95/991433595.db2.gz SOPMEKCZHAQHFB-MRVWCRGKSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258617383 991546674 /nfs/dbraw/zinc/54/66/74/991546674.db2.gz FKTKXJDMNNGNAV-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258617383 991546684 /nfs/dbraw/zinc/54/66/84/991546684.db2.gz FKTKXJDMNNGNAV-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258622070 991554554 /nfs/dbraw/zinc/55/45/54/991554554.db2.gz GGSLRKCQIQSKGN-CYBMUJFWSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@H](Cc1cccnc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258622070 991554565 /nfs/dbraw/zinc/55/45/65/991554565.db2.gz GGSLRKCQIQSKGN-CYBMUJFWSA-N 2 2 247.386 2.039 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2ncccc2C)C1 ZINC001560844186 991621198 /nfs/dbraw/zinc/62/11/98/991621198.db2.gz VLANHPUSABQRFV-AWEZNQCLSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2ncccc2C)C1 ZINC001560844186 991621204 /nfs/dbraw/zinc/62/12/04/991621204.db2.gz VLANHPUSABQRFV-AWEZNQCLSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001561043968 991702826 /nfs/dbraw/zinc/70/28/26/991702826.db2.gz OBAZIACCHCTQIY-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001561043968 991702835 /nfs/dbraw/zinc/70/28/35/991702835.db2.gz OBAZIACCHCTQIY-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC001258774557 991738230 /nfs/dbraw/zinc/73/82/30/991738230.db2.gz RPEXLJNUJHCZCM-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[NH+]1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001258774557 991738233 /nfs/dbraw/zinc/73/82/33/991738233.db2.gz RPEXLJNUJHCZCM-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@H]1CCC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258806737 991805002 /nfs/dbraw/zinc/80/50/02/991805002.db2.gz GQNCRGLRICLIHG-WDEREUQCSA-N 2 2 207.321 2.136 20 0 BEADLP CS[C@@H]1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441768 991870855 /nfs/dbraw/zinc/87/08/55/991870855.db2.gz CSCLBPBDZVKHHN-NWDGAFQWSA-N 2 2 239.388 2.099 20 0 BEADLP CS[C@@H]1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441768 991870863 /nfs/dbraw/zinc/87/08/63/991870863.db2.gz CSCLBPBDZVKHHN-NWDGAFQWSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001261891040 992564170 /nfs/dbraw/zinc/56/41/70/992564170.db2.gz WVHOLXPXNWASGR-YUMQZZPRSA-N 2 2 247.264 2.098 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc2c(n1)CCC2 ZINC001575418330 993037085 /nfs/dbraw/zinc/03/70/85/993037085.db2.gz PSRNLHVKCBKBBR-HNNXBMFYSA-N 2 2 247.386 2.033 20 0 BEADLP C[C@H](CCSc1ccccc1)[N@H+](C)CC[NH3+] ZINC001575966067 993142636 /nfs/dbraw/zinc/14/26/36/993142636.db2.gz LCIRNHDCMURRBN-GFCCVEGCSA-N 2 2 238.400 2.448 20 0 BEADLP C[C@H](CCSc1ccccc1)[N@@H+](C)CC[NH3+] ZINC001575966067 993142641 /nfs/dbraw/zinc/14/26/41/993142641.db2.gz LCIRNHDCMURRBN-GFCCVEGCSA-N 2 2 238.400 2.448 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C/C=C/c1cccc(F)c1 ZINC001576149670 993193503 /nfs/dbraw/zinc/19/35/03/993193503.db2.gz JSDKNQKMEPIZQJ-DUMNWFOQSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC001576149670 993193508 /nfs/dbraw/zinc/19/35/08/993193508.db2.gz JSDKNQKMEPIZQJ-DUMNWFOQSA-N 2 2 222.307 2.118 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+]CC1C[NH+](C)C1 ZINC000379481433 993246864 /nfs/dbraw/zinc/24/68/64/993246864.db2.gz XVNBNFVCJMZTFG-OAHLLOKOSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCc2c1cccc2F ZINC000380781300 993344418 /nfs/dbraw/zinc/34/44/18/993344418.db2.gz BWNOYXQFJCWYRX-RNCFNFMXSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC000380781300 993344425 /nfs/dbraw/zinc/34/44/25/993344425.db2.gz BWNOYXQFJCWYRX-RNCFNFMXSA-N 2 2 222.307 2.092 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccco1 ZINC000381150018 993374091 /nfs/dbraw/zinc/37/40/91/993374091.db2.gz AJVNKXPTIPZZDE-GFCCVEGCSA-N 2 2 224.348 2.490 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333615 993388164 /nfs/dbraw/zinc/38/81/64/993388164.db2.gz CFRFCZPYAZYXQM-MLGOLLRUSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333615 993388170 /nfs/dbraw/zinc/38/81/70/993388170.db2.gz CFRFCZPYAZYXQM-MLGOLLRUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000381340531 993389801 /nfs/dbraw/zinc/38/98/01/993389801.db2.gz XKVAKRFOBZXUHD-AWEZNQCLSA-N 2 2 218.344 2.399 20 0 BEADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000381340531 993389806 /nfs/dbraw/zinc/38/98/06/993389806.db2.gz XKVAKRFOBZXUHD-AWEZNQCLSA-N 2 2 218.344 2.399 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333614 993389834 /nfs/dbraw/zinc/38/98/34/993389834.db2.gz CFRFCZPYAZYXQM-LRDDRELGSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333614 993389851 /nfs/dbraw/zinc/38/98/51/993389851.db2.gz CFRFCZPYAZYXQM-LRDDRELGSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccn1C1CC1 ZINC001576748408 993412136 /nfs/dbraw/zinc/41/21/36/993412136.db2.gz KHTVDQMEMFSCDL-XUJVJEKNSA-N 2 2 247.386 2.299 20 0 BEADLP CCOc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382407082 993459488 /nfs/dbraw/zinc/45/94/88/993459488.db2.gz BMPUBWOEWXPDLJ-WDEREUQCSA-N 2 2 235.331 2.162 20 0 BEADLP CCOc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382407080 993459961 /nfs/dbraw/zinc/45/99/61/993459961.db2.gz BMPUBWOEWXPDLJ-QWRGUYRKSA-N 2 2 235.331 2.162 20 0 BEADLP C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000386954096 993699610 /nfs/dbraw/zinc/69/96/10/993699610.db2.gz XIXJHKJIJLIRQL-RYUDHWBXSA-N 2 2 208.349 2.051 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000724784728 994076084 /nfs/dbraw/zinc/07/60/84/994076084.db2.gz NGZPNBVQAATDGS-DGCLKSJQSA-N 2 2 219.332 2.483 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000724784728 994076094 /nfs/dbraw/zinc/07/60/94/994076094.db2.gz NGZPNBVQAATDGS-DGCLKSJQSA-N 2 2 219.332 2.483 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620627853 1170691641 /nfs/dbraw/zinc/69/16/41/1170691641.db2.gz QKBVMXVLFNUYCN-CFVMTHIKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620627853 1170691646 /nfs/dbraw/zinc/69/16/46/1170691646.db2.gz QKBVMXVLFNUYCN-CFVMTHIKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001620627853 1170691650 /nfs/dbraw/zinc/69/16/50/1170691650.db2.gz QKBVMXVLFNUYCN-CFVMTHIKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001620627853 1170691655 /nfs/dbraw/zinc/69/16/55/1170691655.db2.gz QKBVMXVLFNUYCN-CFVMTHIKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745301 1170708630 /nfs/dbraw/zinc/70/86/30/1170708630.db2.gz RHCUBEQKUFOXHZ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745301 1170708637 /nfs/dbraw/zinc/70/86/37/1170708637.db2.gz RHCUBEQKUFOXHZ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H]3CCC[C@H]13)CC2 ZINC001621269994 1170758168 /nfs/dbraw/zinc/75/81/68/1170758168.db2.gz KTOLJSBKOTXNQX-RFQIPJPRSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570402 1170851432 /nfs/dbraw/zinc/85/14/32/1170851432.db2.gz SYDSHKHFCQSOOU-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570402 1170851444 /nfs/dbraw/zinc/85/14/44/1170851444.db2.gz SYDSHKHFCQSOOU-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000034511375 1170898048 /nfs/dbraw/zinc/89/80/48/1170898048.db2.gz CBBFPWDAUGHFDQ-UHFFFAOYSA-N 2 2 244.382 2.399 20 0 BEADLP c1ccc(CCC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000034511375 1170898057 /nfs/dbraw/zinc/89/80/57/1170898057.db2.gz CBBFPWDAUGHFDQ-UHFFFAOYSA-N 2 2 244.382 2.399 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[NH+](CC)CC ZINC000037202017 1170935298 /nfs/dbraw/zinc/93/52/98/1170935298.db2.gz GDKOJIWNUMSRAU-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP c1cn(-c2cccc(N[C@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000043325876 1171280140 /nfs/dbraw/zinc/28/01/40/1171280140.db2.gz BVEIJXVVPCITKC-ZDUSSCGKSA-N 2 2 242.326 2.036 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]CCCn1cc[nH+]c1 ZINC000049328054 1171687858 /nfs/dbraw/zinc/68/78/58/1171687858.db2.gz NSKYLJVGTSZWPA-LBPRGKRZSA-N 2 2 233.315 2.087 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000070344525 398138516 /nfs/dbraw/zinc/13/85/16/398138516.db2.gz WSVXHEUOBQWOMX-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421822588 398144758 /nfs/dbraw/zinc/14/47/58/398144758.db2.gz BACQIOMUAAQTBF-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421822588 398144761 /nfs/dbraw/zinc/14/47/61/398144761.db2.gz BACQIOMUAAQTBF-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H]2C2CCC2)c[nH+]1 ZINC000161613343 349476482 /nfs/dbraw/zinc/47/64/82/349476482.db2.gz DNYPKBGLVNXRAQ-ZDUSSCGKSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H]2C2CCC2)c[nH+]1 ZINC000161613343 349476484 /nfs/dbraw/zinc/47/64/84/349476484.db2.gz DNYPKBGLVNXRAQ-ZDUSSCGKSA-N 2 2 219.332 2.148 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1F ZINC000105423717 178022309 /nfs/dbraw/zinc/02/23/09/178022309.db2.gz JOJHVPZBAZEBIJ-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1F ZINC000105423717 178022311 /nfs/dbraw/zinc/02/23/11/178022311.db2.gz JOJHVPZBAZEBIJ-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@H](C)[NH3+] ZINC000415012335 398153460 /nfs/dbraw/zinc/15/34/60/398153460.db2.gz SISSAAOKPWEXKX-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP FC1(F)C[C@@]12CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000649907411 398181130 /nfs/dbraw/zinc/18/11/30/398181130.db2.gz QUKVLMSAVHENCF-LLVKDONJSA-N 2 2 241.285 2.004 20 0 BEADLP FC1(F)C[C@@]12CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000649907411 398181133 /nfs/dbraw/zinc/18/11/33/398181133.db2.gz QUKVLMSAVHENCF-LLVKDONJSA-N 2 2 241.285 2.004 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@H](C)O2)c[nH+]1 ZINC000453623447 398165954 /nfs/dbraw/zinc/16/59/54/398165954.db2.gz BOOHILJTKDKVHD-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000313303347 398193519 /nfs/dbraw/zinc/19/35/19/398193519.db2.gz QGYANTGXPYRDJL-CYBMUJFWSA-N 2 2 233.359 2.275 20 0 BEADLP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000301226858 178097605 /nfs/dbraw/zinc/09/76/05/178097605.db2.gz FFQXWIYXBVYKHD-UHFFFAOYSA-N 2 2 248.374 2.094 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000386093881 398197366 /nfs/dbraw/zinc/19/73/66/398197366.db2.gz PUWPBSQETYSXAW-LSDHHAIUSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000386093881 398197372 /nfs/dbraw/zinc/19/73/72/398197372.db2.gz PUWPBSQETYSXAW-LSDHHAIUSA-N 2 2 248.370 2.058 20 0 BEADLP Cc1cc(NC[C@@H](C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265376188 178165667 /nfs/dbraw/zinc/16/56/67/178165667.db2.gz PVNCVWPZIBQRFM-SNVBAGLBSA-N 2 2 234.347 2.024 20 0 BEADLP Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000301103928 178161284 /nfs/dbraw/zinc/16/12/84/178161284.db2.gz OYDPTTUYYWFYBS-NSHDSACASA-N 2 2 248.374 2.237 20 0 BEADLP Cc1cc(NCC[N@@H+]2CCC[C@H](C)C2)nc(C)[nH+]1 ZINC000301103928 178161288 /nfs/dbraw/zinc/16/12/88/178161288.db2.gz OYDPTTUYYWFYBS-NSHDSACASA-N 2 2 248.374 2.237 20 0 BEADLP Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)nc[nH+]1 ZINC000040727364 178165114 /nfs/dbraw/zinc/16/51/14/178165114.db2.gz MSERCNIKLJOWHH-GFCCVEGCSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1cc(NCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000041063232 178163454 /nfs/dbraw/zinc/16/34/54/178163454.db2.gz AERHLVSHZKRLJS-UHFFFAOYSA-N 2 2 245.330 2.217 20 0 BEADLP Cc1cc(NC[C@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000053254994 178169898 /nfs/dbraw/zinc/16/98/98/178169898.db2.gz LZGBUYFGEWCHFE-LLVKDONJSA-N 2 2 234.347 2.072 20 0 BEADLP Cc1cc(NCc2[nH]cc[nH+]2)ccc1[NH+](C)C ZINC000120166772 178176468 /nfs/dbraw/zinc/17/64/68/178176468.db2.gz KGYNUAYLPDVWFR-UHFFFAOYSA-N 2 2 230.315 2.396 20 0 BEADLP CCc1nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs1 ZINC000430557682 398227491 /nfs/dbraw/zinc/22/74/91/398227491.db2.gz OEHICBQFZWGNBY-GFCCVEGCSA-N 2 2 241.404 2.169 20 0 BEADLP CCc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000133081613 398230834 /nfs/dbraw/zinc/23/08/34/398230834.db2.gz AWMHDBDLKOHDGP-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000133081613 398230837 /nfs/dbraw/zinc/23/08/37/398230837.db2.gz AWMHDBDLKOHDGP-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCC(CC)C[NH2+]CC[NH+]1CCCCC1 ZINC000042254486 168360132 /nfs/dbraw/zinc/36/01/32/168360132.db2.gz GMNYANSILKDNFN-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CCC(CC)C[NH2+]CC[N@H+](C)C(C)C ZINC000054110758 168360773 /nfs/dbraw/zinc/36/07/73/168360773.db2.gz KOPZOHMTOVQAQW-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CCC(CC)C[NH2+]CC[N@@H+](C)C(C)C ZINC000054110758 168360775 /nfs/dbraw/zinc/36/07/75/168360775.db2.gz KOPZOHMTOVQAQW-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000094522109 398244964 /nfs/dbraw/zinc/24/49/64/398244964.db2.gz PQDDAHVFUKMVOH-OAHLLOKOSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000094522109 398244965 /nfs/dbraw/zinc/24/49/65/398244965.db2.gz PQDDAHVFUKMVOH-OAHLLOKOSA-N 2 2 230.355 2.358 20 0 BEADLP c1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000232465657 136228994 /nfs/dbraw/zinc/22/89/94/136228994.db2.gz YOIAHIUYYNPKEG-HUUCEWRRSA-N 2 2 230.355 2.479 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336753514 168365120 /nfs/dbraw/zinc/36/51/20/168365120.db2.gz GVUAHABJSSNNSE-AAEUAGOBSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336753514 168365122 /nfs/dbraw/zinc/36/51/22/168365122.db2.gz GVUAHABJSSNNSE-AAEUAGOBSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000250289745 398251837 /nfs/dbraw/zinc/25/18/37/398251837.db2.gz PSSGSJPJXJKVGD-OSAQELSMSA-N 2 2 247.386 2.208 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000250289745 398251838 /nfs/dbraw/zinc/25/18/38/398251838.db2.gz PSSGSJPJXJKVGD-OSAQELSMSA-N 2 2 247.386 2.208 20 0 BEADLP C[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)[NH+](C)C ZINC000379511434 538978362 /nfs/dbraw/zinc/97/83/62/538978362.db2.gz SDNVIYNQAVQXMG-GHMZBOCLSA-N 2 2 200.370 2.208 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671838 538972181 /nfs/dbraw/zinc/97/21/81/538972181.db2.gz HGSLDUOYXCJEAV-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671838 538972182 /nfs/dbraw/zinc/97/21/82/538972182.db2.gz HGSLDUOYXCJEAV-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(CC2(C[NH3+])CC2)cc1 ZINC000630052493 361921078 /nfs/dbraw/zinc/92/10/78/361921078.db2.gz KWVQNXOGDZBGNE-UHFFFAOYSA-N 2 2 241.338 2.369 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C2(C[NH3+])CCC2)c1 ZINC000630053292 361923611 /nfs/dbraw/zinc/92/36/11/361923611.db2.gz RQTJGCYRHNVFIL-UHFFFAOYSA-N 2 2 241.338 2.468 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(C(C)(C)C[NH3+])cc1 ZINC000630053794 361924946 /nfs/dbraw/zinc/92/49/46/361924946.db2.gz ZFZYSHXURDHYEF-UHFFFAOYSA-N 2 2 229.327 2.323 20 0 BEADLP CC(C)C([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000380276209 538988737 /nfs/dbraw/zinc/98/87/37/538988737.db2.gz XSOWFZCZSLBJJV-RYUDHWBXSA-N 2 2 212.381 2.207 20 0 BEADLP CC(C)C([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000380276209 538988738 /nfs/dbraw/zinc/98/87/38/538988738.db2.gz XSOWFZCZSLBJJV-RYUDHWBXSA-N 2 2 212.381 2.207 20 0 BEADLP Cc1cccc(N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000044725817 538990445 /nfs/dbraw/zinc/99/04/45/538990445.db2.gz MBEUVLYYUOMYRZ-LLVKDONJSA-N 2 2 217.316 2.039 20 0 BEADLP Cc1cccc(N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000044725817 538990446 /nfs/dbraw/zinc/99/04/46/538990446.db2.gz MBEUVLYYUOMYRZ-LLVKDONJSA-N 2 2 217.316 2.039 20 0 BEADLP Clc1cscc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380073989 538984581 /nfs/dbraw/zinc/98/45/81/538984581.db2.gz GJRNZCJOAILHRA-RKDXNWHRSA-N 2 2 242.775 2.053 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000381504557 539002827 /nfs/dbraw/zinc/00/28/27/539002827.db2.gz PTIQSOBIJFASTB-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381504557 539002828 /nfs/dbraw/zinc/00/28/28/539002828.db2.gz PTIQSOBIJFASTB-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000381746691 539006618 /nfs/dbraw/zinc/00/66/18/539006618.db2.gz QEUZZLKCCCKQSP-GFCCVEGCSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000381746691 539006619 /nfs/dbraw/zinc/00/66/19/539006619.db2.gz QEUZZLKCCCKQSP-GFCCVEGCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383956373 539012422 /nfs/dbraw/zinc/01/24/22/539012422.db2.gz HECQOAKWMCXCCV-VWYCJHECSA-N 2 2 244.329 2.389 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383956373 539012424 /nfs/dbraw/zinc/01/24/24/539012424.db2.gz HECQOAKWMCXCCV-VWYCJHECSA-N 2 2 244.329 2.389 20 0 BEADLP CC1(C[NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000232879529 342888261 /nfs/dbraw/zinc/88/82/61/342888261.db2.gz MVEAMMMSZVKZHF-GFCCVEGCSA-N 2 2 204.317 2.076 20 0 BEADLP CC1(C[NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC000232900487 342891138 /nfs/dbraw/zinc/89/11/38/342891138.db2.gz MVEAMMMSZVKZHF-LBPRGKRZSA-N 2 2 204.317 2.076 20 0 BEADLP Cc1ccc(C[NH+](C)C)cc1NCc1[nH]cc[nH+]1 ZINC000151987827 398326236 /nfs/dbraw/zinc/32/62/36/398326236.db2.gz CEQWRAMUWYDGMG-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]CC2CCCCC2)c1 ZINC000313260687 259332076 /nfs/dbraw/zinc/33/20/76/259332076.db2.gz HQLORIZYLYXVMP-UHFFFAOYSA-N 2 2 221.348 2.133 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000313261064 259332079 /nfs/dbraw/zinc/33/20/79/259332079.db2.gz HVOAFLATBHDTPM-UHFFFAOYSA-N 2 2 249.745 2.406 20 0 BEADLP C[C@@H]1CC([NH2+]CCc2cn(C)c[nH+]2)C[C@@H](C)C1 ZINC000313272759 259332891 /nfs/dbraw/zinc/33/28/91/259332891.db2.gz RARQJBWMQAXVIR-RYUDHWBXSA-N 2 2 235.375 2.377 20 0 BEADLP Cc1cccc(C[NH2+]CCc2cn(C)c[nH+]2)c1C ZINC000313271619 259332637 /nfs/dbraw/zinc/33/26/37/259332637.db2.gz OXPTUEFCNPHVEJ-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313268390 259332752 /nfs/dbraw/zinc/33/27/52/259332752.db2.gz LTABIDXVVBSJPJ-LBPRGKRZSA-N 2 2 223.364 2.234 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313268683 259332789 /nfs/dbraw/zinc/33/27/89/259332789.db2.gz WLLSPBQSDLNYCE-DGCLKSJQSA-N 2 2 221.348 2.131 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3ccccc32)c1 ZINC000313275099 259332804 /nfs/dbraw/zinc/33/28/04/259332804.db2.gz VOCRCWTZNFQBOI-HNNXBMFYSA-N 2 2 241.338 2.240 20 0 BEADLP COCc1cccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159765558 398342607 /nfs/dbraw/zinc/34/26/07/398342607.db2.gz XQEVRYGEFNGFGB-HNNXBMFYSA-N 2 2 248.370 2.002 20 0 BEADLP COCc1cccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159765558 398342608 /nfs/dbraw/zinc/34/26/08/398342608.db2.gz XQEVRYGEFNGFGB-HNNXBMFYSA-N 2 2 248.370 2.002 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@@H](C)C1 ZINC000313272758 259332844 /nfs/dbraw/zinc/33/28/44/259332844.db2.gz RARQJBWMQAXVIR-IMRBUKKESA-N 2 2 235.375 2.377 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000053448215 346902120 /nfs/dbraw/zinc/90/21/20/346902120.db2.gz XBWIKWOALWYDRF-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000053448213 346902143 /nfs/dbraw/zinc/90/21/43/346902143.db2.gz XBWIKWOALWYDRF-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000304561412 259335518 /nfs/dbraw/zinc/33/55/18/259335518.db2.gz VUSOMNWEZWHKCP-RYUDHWBXSA-N 2 2 239.388 2.004 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC000020089774 342968870 /nfs/dbraw/zinc/96/88/70/342968870.db2.gz LNWJKMWVEAHUOZ-VXGBXAGGSA-N 2 2 200.370 2.352 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1csc(C)n1 ZINC000020253029 342978498 /nfs/dbraw/zinc/97/84/98/342978498.db2.gz BGDKEKNIKQFCHR-UHFFFAOYSA-N 2 2 241.404 2.273 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506085 342988733 /nfs/dbraw/zinc/98/87/33/342988733.db2.gz BBGMTXWRJIQWBK-NEPJUHHUSA-N 2 2 209.337 2.297 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCS[C@@H](C)CC2)n1C ZINC000668061481 488196547 /nfs/dbraw/zinc/19/65/47/488196547.db2.gz JDRHKIKSQSLGAN-JTQLQIEISA-N 2 2 239.388 2.056 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088404 343060647 /nfs/dbraw/zinc/06/06/47/343060647.db2.gz XLXBWJOJABZYHU-RYUDHWBXSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000054081025 488205480 /nfs/dbraw/zinc/20/54/80/488205480.db2.gz AVEFNHANCQKSSL-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081025 488205484 /nfs/dbraw/zinc/20/54/84/488205484.db2.gz AVEFNHANCQKSSL-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000156595179 343198729 /nfs/dbraw/zinc/19/87/29/343198729.db2.gz DHPONVZFNXOLAU-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000156595179 343198731 /nfs/dbraw/zinc/19/87/31/343198731.db2.gz DHPONVZFNXOLAU-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccncc1Cl ZINC000133596195 343191089 /nfs/dbraw/zinc/19/10/89/343191089.db2.gz HHMDIXKSSATFGN-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccncc1Cl ZINC000133596195 343191091 /nfs/dbraw/zinc/19/10/91/343191091.db2.gz HHMDIXKSSATFGN-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634687686 343241868 /nfs/dbraw/zinc/24/18/68/343241868.db2.gz VIGNZKBJXMTSCM-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687686 343241871 /nfs/dbraw/zinc/24/18/71/343241871.db2.gz VIGNZKBJXMTSCM-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1F ZINC000051017526 343242745 /nfs/dbraw/zinc/24/27/45/343242745.db2.gz RLYOUFPWMTYLQR-BXKDBHETSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1F ZINC000051017526 343242747 /nfs/dbraw/zinc/24/27/47/343242747.db2.gz RLYOUFPWMTYLQR-BXKDBHETSA-N 2 2 240.297 2.276 20 0 BEADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000335616450 136296588 /nfs/dbraw/zinc/29/65/88/136296588.db2.gz HCAKSEXOCRZIQW-JSGCOSHPSA-N 2 2 218.344 2.316 20 0 BEADLP CC[NH+](CC)CCn1cc[nH+]c1C(C)C ZINC000070422970 343328521 /nfs/dbraw/zinc/32/85/21/343328521.db2.gz MDEJBQNDWDAOIQ-UHFFFAOYSA-N 2 2 209.337 2.348 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757478 136297120 /nfs/dbraw/zinc/29/71/20/136297120.db2.gz WEMKZPBYVYNDFA-CQSZACIVSA-N 2 2 236.334 2.181 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348757478 136297121 /nfs/dbraw/zinc/29/71/21/136297121.db2.gz WEMKZPBYVYNDFA-CQSZACIVSA-N 2 2 236.334 2.181 20 0 BEADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000353930998 136297434 /nfs/dbraw/zinc/29/74/34/136297434.db2.gz PTDIJIUBZURNPQ-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1 ZINC000035274867 343291668 /nfs/dbraw/zinc/29/16/68/343291668.db2.gz XQICYLDSKJHTAQ-LLVKDONJSA-N 2 2 233.290 2.201 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154906 488210803 /nfs/dbraw/zinc/21/08/03/488210803.db2.gz ZPPSHZLZIARYBN-YNEHKIRRSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)n1 ZINC000335608054 136298508 /nfs/dbraw/zinc/29/85/08/136298508.db2.gz CSKQIQZDEONAFW-ZFWWWQNUSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)n1 ZINC000335608054 136298509 /nfs/dbraw/zinc/29/85/09/136298509.db2.gz CSKQIQZDEONAFW-ZFWWWQNUSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCOC1 ZINC000348713276 136293875 /nfs/dbraw/zinc/29/38/75/136293875.db2.gz KHWAFZIMXJCOJK-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCCOC1 ZINC000348713276 136293876 /nfs/dbraw/zinc/29/38/76/136293876.db2.gz KHWAFZIMXJCOJK-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000335600224 136294809 /nfs/dbraw/zinc/29/48/09/136294809.db2.gz WRMKUTQZDJNRQZ-LLVKDONJSA-N 2 2 240.297 2.279 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000335613423 136295483 /nfs/dbraw/zinc/29/54/83/136295483.db2.gz SDIGIIPEISAWEF-OKILXGFUSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000335613423 136295484 /nfs/dbraw/zinc/29/54/84/136295484.db2.gz SDIGIIPEISAWEF-OKILXGFUSA-N 2 2 233.359 2.314 20 0 BEADLP C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038088063 343370021 /nfs/dbraw/zinc/37/00/21/343370021.db2.gz DQSQKCLUEGPBDG-STQMWFEESA-N 2 2 220.360 2.330 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000070562757 343335087 /nfs/dbraw/zinc/33/50/87/343335087.db2.gz XYTVCYDNJUOPMY-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccnc1 ZINC000037157811 343337239 /nfs/dbraw/zinc/33/72/39/343337239.db2.gz NXAFWULSZBNDMI-NEPJUHHUSA-N 2 2 230.315 2.017 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccnc1 ZINC000037157809 343337390 /nfs/dbraw/zinc/33/73/90/343337390.db2.gz NXAFWULSZBNDMI-RYUDHWBXSA-N 2 2 230.315 2.017 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccco1 ZINC000037157938 343337421 /nfs/dbraw/zinc/33/74/21/343337421.db2.gz BGYNRLXVMJLTOI-MNOVXSKESA-N 2 2 219.288 2.215 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccco1 ZINC000037157936 343337509 /nfs/dbraw/zinc/33/75/09/343337509.db2.gz BGYNRLXVMJLTOI-QWRGUYRKSA-N 2 2 219.288 2.215 20 0 BEADLP C[C@H]1C[C@H]1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348838065 136301997 /nfs/dbraw/zinc/30/19/97/136301997.db2.gz LUKKZUFAGWMUCU-AAEUAGOBSA-N 2 2 242.326 2.394 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000037670594 343350829 /nfs/dbraw/zinc/35/08/29/343350829.db2.gz FTUMBYXTTHEWHD-GFCCVEGCSA-N 2 2 219.332 2.286 20 0 BEADLP CC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000037670594 343350830 /nfs/dbraw/zinc/35/08/30/343350830.db2.gz FTUMBYXTTHEWHD-GFCCVEGCSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1nc2ccc(C[NH2+][C@H]3CC[NH2+]C3)cc2s1 ZINC000335640879 136308470 /nfs/dbraw/zinc/30/84/70/136308470.db2.gz CEWJOGPBDZPMRO-NSHDSACASA-N 2 2 247.367 2.056 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335642369 136308876 /nfs/dbraw/zinc/30/88/76/136308876.db2.gz JCFSQNXBTIVXQF-GFCCVEGCSA-N 2 2 224.735 2.100 20 0 BEADLP Fc1ccccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335643004 136309035 /nfs/dbraw/zinc/30/90/35/136309035.db2.gz LIBSJEBFOVYJNU-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP CCOc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063288 343415000 /nfs/dbraw/zinc/41/50/00/343415000.db2.gz MTSYZKWCNXTEED-UHFFFAOYSA-N 2 2 245.326 2.072 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064680 136366958 /nfs/dbraw/zinc/36/69/58/136366958.db2.gz PEMAHRHLEMNTHG-OLZOCXBDSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064680 136366959 /nfs/dbraw/zinc/36/69/59/136366959.db2.gz PEMAHRHLEMNTHG-OLZOCXBDSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064680 136366960 /nfs/dbraw/zinc/36/69/60/136366960.db2.gz PEMAHRHLEMNTHG-OLZOCXBDSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064680 136366961 /nfs/dbraw/zinc/36/69/61/136366961.db2.gz PEMAHRHLEMNTHG-OLZOCXBDSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351064680 136366962 /nfs/dbraw/zinc/36/69/62/136366962.db2.gz PEMAHRHLEMNTHG-OLZOCXBDSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351064680 136366963 /nfs/dbraw/zinc/36/69/63/136366963.db2.gz PEMAHRHLEMNTHG-OLZOCXBDSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000335655645 136376127 /nfs/dbraw/zinc/37/61/27/136376127.db2.gz FYWXYNRPZZPDEO-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000335655645 136376128 /nfs/dbraw/zinc/37/61/28/136376128.db2.gz FYWXYNRPZZPDEO-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324977 343468283 /nfs/dbraw/zinc/46/82/83/343468283.db2.gz XDASWPIDMKGUAP-UWVGGRQHSA-N 2 2 210.346 2.151 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574534 343603243 /nfs/dbraw/zinc/60/32/43/343603243.db2.gz JPGSFOZLFQPJDB-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000062948544 537797617 /nfs/dbraw/zinc/79/76/17/537797617.db2.gz HPAUANATDMMYES-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000062948544 537797620 /nfs/dbraw/zinc/79/76/20/537797620.db2.gz HPAUANATDMMYES-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)nc1C ZINC000314326989 259366953 /nfs/dbraw/zinc/36/69/53/259366953.db2.gz SSHOPHDHVYPEBP-ZFWWWQNUSA-N 2 2 247.386 2.319 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)nc1C ZINC000314326976 259367078 /nfs/dbraw/zinc/36/70/78/259367078.db2.gz SSHOPHDHVYPEBP-HIFRSBDPSA-N 2 2 247.386 2.319 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574533 187269901 /nfs/dbraw/zinc/26/99/01/187269901.db2.gz JPGSFOZLFQPJDB-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCCC1CCC1)C2 ZINC000625434401 343734860 /nfs/dbraw/zinc/73/48/60/343734860.db2.gz RZNWLOHLUHEHPB-UHFFFAOYSA-N 2 2 219.332 2.348 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CCCC1CCC1)C2 ZINC000625434401 343734861 /nfs/dbraw/zinc/73/48/61/343734861.db2.gz RZNWLOHLUHEHPB-UHFFFAOYSA-N 2 2 219.332 2.348 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027547 343784063 /nfs/dbraw/zinc/78/40/63/343784063.db2.gz IUDURTOCBMBTSC-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027547 343784064 /nfs/dbraw/zinc/78/40/64/343784064.db2.gz IUDURTOCBMBTSC-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCc2occc2C1 ZINC000297714494 187352561 /nfs/dbraw/zinc/35/25/61/187352561.db2.gz RIQFCUBXCYVAPJ-UHFFFAOYSA-N 2 2 245.326 2.004 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCc2occc2C1 ZINC000297714494 187352563 /nfs/dbraw/zinc/35/25/63/187352563.db2.gz RIQFCUBXCYVAPJ-UHFFFAOYSA-N 2 2 245.326 2.004 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621776672 343899429 /nfs/dbraw/zinc/89/94/29/343899429.db2.gz SESFCKNLZNRAHN-JOYOIKCWSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cncc(Cl)c1 ZINC000621776672 343899430 /nfs/dbraw/zinc/89/94/30/343899430.db2.gz SESFCKNLZNRAHN-JOYOIKCWSA-N 2 2 239.750 2.047 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000336754530 537838097 /nfs/dbraw/zinc/83/80/97/537838097.db2.gz IGXIBTQBEJMFPZ-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP FC1(F)CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000625770623 344066454 /nfs/dbraw/zinc/06/64/54/344066454.db2.gz ZJZQZYKIXZTOCE-UHFFFAOYSA-N 2 2 243.301 2.394 20 0 BEADLP FC1(F)CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000625770623 344066456 /nfs/dbraw/zinc/06/64/56/344066456.db2.gz ZJZQZYKIXZTOCE-UHFFFAOYSA-N 2 2 243.301 2.394 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348111089 537839791 /nfs/dbraw/zinc/83/97/91/537839791.db2.gz VIMHDAXPIYHQMK-SNPRPXQTSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2nccs2)C1 ZINC000634732354 344107064 /nfs/dbraw/zinc/10/70/64/344107064.db2.gz DNSGYRIDJDLTNC-JTQLQIEISA-N 2 2 239.388 2.011 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348111089 537839796 /nfs/dbraw/zinc/83/97/96/537839796.db2.gz VIMHDAXPIYHQMK-SNPRPXQTSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C[C@@H](CNc1cc[nH+]cc1F)[NH+](C)C ZINC000641277072 362341543 /nfs/dbraw/zinc/34/15/43/362341543.db2.gz IARCETURQONMOV-NSHDSACASA-N 2 2 239.338 2.031 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)s1 ZINC000634734756 344115984 /nfs/dbraw/zinc/11/59/84/344115984.db2.gz NQEUVTYOTGSPGT-YPMHNXCESA-N 2 2 236.384 2.288 20 0 BEADLP CC(C)[N@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000049773261 187357867 /nfs/dbraw/zinc/35/78/67/187357867.db2.gz XIBHFTJPTJTWBE-UHFFFAOYSA-N 2 2 232.331 2.315 20 0 BEADLP CC(C)[N@@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000049773261 187357869 /nfs/dbraw/zinc/35/78/69/187357869.db2.gz XIBHFTJPTJTWBE-UHFFFAOYSA-N 2 2 232.331 2.315 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000130183074 344218320 /nfs/dbraw/zinc/21/83/20/344218320.db2.gz WECGYBOYYIJPFE-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070502 344317822 /nfs/dbraw/zinc/31/78/22/344317822.db2.gz DBBHJVJOEWBCTK-XHDPSFHLSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070502 344317824 /nfs/dbraw/zinc/31/78/24/344317824.db2.gz DBBHJVJOEWBCTK-XHDPSFHLSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2CCC2)C[N@@H+]1C1CC1 ZINC000132863487 344309905 /nfs/dbraw/zinc/30/99/05/344309905.db2.gz ONENFHJQTVEEIY-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2CCC2)C[N@H+]1C1CC1 ZINC000132863487 344309907 /nfs/dbraw/zinc/30/99/07/344309907.db2.gz ONENFHJQTVEEIY-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000385215351 344377492 /nfs/dbraw/zinc/37/74/92/344377492.db2.gz ZKHQIIHGFKFPFH-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000385215351 344377493 /nfs/dbraw/zinc/37/74/93/344377493.db2.gz ZKHQIIHGFKFPFH-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000300046933 344380639 /nfs/dbraw/zinc/38/06/39/344380639.db2.gz BDHYIKXLRKRZQV-BXKDBHETSA-N 2 2 224.373 2.090 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC000300046933 344380640 /nfs/dbraw/zinc/38/06/40/344380640.db2.gz BDHYIKXLRKRZQV-BXKDBHETSA-N 2 2 224.373 2.090 20 0 BEADLP CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000300090482 344388719 /nfs/dbraw/zinc/38/87/19/344388719.db2.gz QYZKQCOUQOGJSP-IUODEOHRSA-N 2 2 248.370 2.254 20 0 BEADLP CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000300090482 344388720 /nfs/dbraw/zinc/38/87/20/344388720.db2.gz QYZKQCOUQOGJSP-IUODEOHRSA-N 2 2 248.370 2.254 20 0 BEADLP CCCCOCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119619934 344473893 /nfs/dbraw/zinc/47/38/93/344473893.db2.gz RJUNEFVGEDMEBM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCCCOCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000119619934 344473894 /nfs/dbraw/zinc/47/38/94/344473894.db2.gz RJUNEFVGEDMEBM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1scnc1C1CC1 ZINC000336776462 537847238 /nfs/dbraw/zinc/84/72/38/537847238.db2.gz FWVGBCJQSSIHDB-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000043513529 344524602 /nfs/dbraw/zinc/52/46/02/344524602.db2.gz YKSCUZYKQLVQOM-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000043513529 344524604 /nfs/dbraw/zinc/52/46/04/344524604.db2.gz YKSCUZYKQLVQOM-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)CC(C)(C)C ZINC000045072326 344555335 /nfs/dbraw/zinc/55/53/35/344555335.db2.gz UZFDNBCQIUXDJR-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)CC(C)(C)C ZINC000045072326 344555339 /nfs/dbraw/zinc/55/53/39/344555339.db2.gz UZFDNBCQIUXDJR-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000336769245 537850887 /nfs/dbraw/zinc/85/08/87/537850887.db2.gz VMMIBVITZBHPMJ-RWMBFGLXSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000336769245 537850894 /nfs/dbraw/zinc/85/08/94/537850894.db2.gz VMMIBVITZBHPMJ-RWMBFGLXSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CCCS2)n1C ZINC000574099100 344655901 /nfs/dbraw/zinc/65/59/01/344655901.db2.gz GZQJFCRLQGNYGC-GFCCVEGCSA-N 2 2 239.388 2.104 20 0 BEADLP CC(C)[N@@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000042519690 187292388 /nfs/dbraw/zinc/29/23/88/187292388.db2.gz NADMSMJZAJSCSI-SNVBAGLBSA-N 2 2 212.362 2.306 20 0 BEADLP CC(C)[N@H+](Cc1cccs1)C[C@@H](C)[NH3+] ZINC000042519690 187292390 /nfs/dbraw/zinc/29/23/90/187292390.db2.gz NADMSMJZAJSCSI-SNVBAGLBSA-N 2 2 212.362 2.306 20 0 BEADLP CC(C)[N@@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000042519691 187292417 /nfs/dbraw/zinc/29/24/17/187292417.db2.gz NADMSMJZAJSCSI-JTQLQIEISA-N 2 2 212.362 2.306 20 0 BEADLP CC(C)[N@H+](Cc1cccs1)C[C@H](C)[NH3+] ZINC000042519691 187292419 /nfs/dbraw/zinc/29/24/19/187292419.db2.gz NADMSMJZAJSCSI-JTQLQIEISA-N 2 2 212.362 2.306 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152754832 344686697 /nfs/dbraw/zinc/68/66/97/344686697.db2.gz TUSANURUJCLOME-GFCCVEGCSA-N 2 2 235.375 2.396 20 0 BEADLP C[N@H+](Cc1cccc(Cl)c1F)C1CC([NH3+])C1 ZINC000385067930 344855072 /nfs/dbraw/zinc/85/50/72/344855072.db2.gz VKWFRASZEHHNNJ-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP C[N@@H+](Cc1cccc(Cl)c1F)C1CC([NH3+])C1 ZINC000385067930 344855075 /nfs/dbraw/zinc/85/50/75/344855075.db2.gz VKWFRASZEHHNNJ-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1cccc[nH+]1 ZINC000078456157 344870192 /nfs/dbraw/zinc/87/01/92/344870192.db2.gz FTGNMPNKVNZTDE-CYBMUJFWSA-N 2 2 233.359 2.392 20 0 BEADLP CN(CC[C@H]1CCCC[N@H+]1C)c1cccc[nH+]1 ZINC000078456157 344870194 /nfs/dbraw/zinc/87/01/94/344870194.db2.gz FTGNMPNKVNZTDE-CYBMUJFWSA-N 2 2 233.359 2.392 20 0 BEADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000120584616 344895155 /nfs/dbraw/zinc/89/51/55/344895155.db2.gz NCZKSJMGIYVYDN-UHFFFAOYSA-N 2 2 236.359 2.490 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000120163501 187294990 /nfs/dbraw/zinc/29/49/90/187294990.db2.gz XVOVMQNCEHJZQP-RYUDHWBXSA-N 2 2 207.321 2.174 20 0 BEADLP CC(C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000120163501 187294993 /nfs/dbraw/zinc/29/49/93/187294993.db2.gz XVOVMQNCEHJZQP-RYUDHWBXSA-N 2 2 207.321 2.174 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000385605733 345004455 /nfs/dbraw/zinc/00/44/55/345004455.db2.gz MNIUDVPXAMYCLD-OLZOCXBDSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000385605733 345004456 /nfs/dbraw/zinc/00/44/56/345004456.db2.gz MNIUDVPXAMYCLD-OLZOCXBDSA-N 2 2 249.358 2.008 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cn2)C1 ZINC000154530613 345041147 /nfs/dbraw/zinc/04/11/47/345041147.db2.gz CSYRGSLZZCOBNX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)cn2)C1 ZINC000154530613 345041148 /nfs/dbraw/zinc/04/11/48/345041148.db2.gz CSYRGSLZZCOBNX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)cn2)C1 ZINC000154530613 345041149 /nfs/dbraw/zinc/04/11/49/345041149.db2.gz CSYRGSLZZCOBNX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000154530613 345041150 /nfs/dbraw/zinc/04/11/50/345041150.db2.gz CSYRGSLZZCOBNX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC000574890295 345083014 /nfs/dbraw/zinc/08/30/14/345083014.db2.gz VHFVEWZCORDCAH-UHFFFAOYSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1F ZINC000641591344 362533355 /nfs/dbraw/zinc/53/33/55/362533355.db2.gz ATUZWTLQRAJJHD-NEPJUHHUSA-N 2 2 249.333 2.284 20 0 BEADLP Fc1c[nH+]ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000641657100 362581208 /nfs/dbraw/zinc/58/12/08/362581208.db2.gz MLMMBTGCUYZTOH-KBPBESRZSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000641657100 362581213 /nfs/dbraw/zinc/58/12/13/362581213.db2.gz MLMMBTGCUYZTOH-KBPBESRZSA-N 2 2 249.333 2.071 20 0 BEADLP CCC(CC)C[N@H+](CC)CC12CC(C1)C[NH2+]2 ZINC000634992166 345180017 /nfs/dbraw/zinc/18/00/17/345180017.db2.gz GJBUDYPJMUMYTG-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CCC(CC)C[N@@H+](CC)CC12CC(C1)C[NH2+]2 ZINC000634992166 345180019 /nfs/dbraw/zinc/18/00/19/345180019.db2.gz GJBUDYPJMUMYTG-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](C)CC23CC(C2)C[NH2+]3)c1 ZINC000634994921 345183436 /nfs/dbraw/zinc/18/34/36/345183436.db2.gz PZWWVAKLUQCIPT-UHFFFAOYSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+](C)CC23CC(C2)C[NH2+]3)c1 ZINC000634994921 345183439 /nfs/dbraw/zinc/18/34/39/345183439.db2.gz PZWWVAKLUQCIPT-UHFFFAOYSA-N 2 2 244.382 2.487 20 0 BEADLP CC(C)(C)[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995072 345183887 /nfs/dbraw/zinc/18/38/87/345183887.db2.gz UHZRJBWHPAKXID-MBHSVXNSSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)(C)[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995072 345183889 /nfs/dbraw/zinc/18/38/89/345183889.db2.gz UHZRJBWHPAKXID-MBHSVXNSSA-N 2 2 222.376 2.106 20 0 BEADLP CC1(C)C[NH+](CC23CC(C2)C[NH2+]3)CC(C)(C)C1 ZINC000634993765 345192181 /nfs/dbraw/zinc/19/21/81/345192181.db2.gz FUGJDJBBOWYGQW-UHFFFAOYSA-N 2 2 236.403 2.497 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc(O)c2)C1 ZINC000634997409 345195569 /nfs/dbraw/zinc/19/55/69/345195569.db2.gz KMFIHIUXSMCOOK-ZDUSSCGKSA-N 2 2 234.343 2.096 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000634997409 345195570 /nfs/dbraw/zinc/19/55/70/345195570.db2.gz KMFIHIUXSMCOOK-ZDUSSCGKSA-N 2 2 234.343 2.096 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000635006385 345210474 /nfs/dbraw/zinc/21/04/74/345210474.db2.gz MIZMFEXBYKPZIC-YWVKMMECSA-N 2 2 239.388 2.243 20 0 BEADLP CC[C@H]([NH2+]Cc1ccc(C)o1)[C@@H]1CCC[NH2+]1 ZINC000635006361 345210828 /nfs/dbraw/zinc/21/08/28/345210828.db2.gz BGSGMNZZVCGCPF-STQMWFEESA-N 2 2 222.332 2.208 20 0 BEADLP Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000381308998 345287797 /nfs/dbraw/zinc/28/77/97/345287797.db2.gz MNBCHMCIZXKSOL-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCC[NH3+] ZINC000133209034 345365900 /nfs/dbraw/zinc/36/59/00/345365900.db2.gz NOJYOKAIERDPOO-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC[NH3+] ZINC000133209034 345365903 /nfs/dbraw/zinc/36/59/03/345365903.db2.gz NOJYOKAIERDPOO-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042544057 178849832 /nfs/dbraw/zinc/84/98/32/178849832.db2.gz VBEXGHXTGDKSMN-OCCSQVGLSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042544057 178849836 /nfs/dbraw/zinc/84/98/36/178849836.db2.gz VBEXGHXTGDKSMN-OCCSQVGLSA-N 2 2 218.344 2.350 20 0 BEADLP c1[nH]c(C[N@@H+]2CCCC3(CC3)CC2)c[nH+]1 ZINC000626115427 345332391 /nfs/dbraw/zinc/33/23/91/345332391.db2.gz SUWWACIRTIPMDX-UHFFFAOYSA-N 2 2 205.305 2.176 20 0 BEADLP c1[nH]c(C[N@H+]2CCCC3(CC3)CC2)c[nH+]1 ZINC000626115427 345332393 /nfs/dbraw/zinc/33/23/93/345332393.db2.gz SUWWACIRTIPMDX-UHFFFAOYSA-N 2 2 205.305 2.176 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)no1 ZINC000080960831 345455200 /nfs/dbraw/zinc/45/52/00/345455200.db2.gz YRZATFSEHAROMZ-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)no1 ZINC000080960831 345455202 /nfs/dbraw/zinc/45/52/02/345455202.db2.gz YRZATFSEHAROMZ-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000090846782 345576759 /nfs/dbraw/zinc/57/67/59/345576759.db2.gz ZRZFHOKDGVVUIL-LBPRGKRZSA-N 2 2 244.342 2.017 20 0 BEADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000091481665 345594094 /nfs/dbraw/zinc/59/40/94/345594094.db2.gz IBEBTEMIHJLBCR-ZDUSSCGKSA-N 2 2 244.342 2.315 20 0 BEADLP Cc1cc[nH+]c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000091479974 345594273 /nfs/dbraw/zinc/59/42/73/345594273.db2.gz QETKCBOKQIAOKY-LBPRGKRZSA-N 2 2 242.326 2.497 20 0 BEADLP CCCC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000068958824 349932410 /nfs/dbraw/zinc/93/24/10/349932410.db2.gz HRROGJQHGGSRSM-AWEZNQCLSA-N 2 2 218.344 2.345 20 0 BEADLP CCCC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000068958824 349932412 /nfs/dbraw/zinc/93/24/12/349932412.db2.gz HRROGJQHGGSRSM-AWEZNQCLSA-N 2 2 218.344 2.345 20 0 BEADLP CSc1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000641700331 362611300 /nfs/dbraw/zinc/61/13/00/362611300.db2.gz CIHQNTJCQXWQSW-UHFFFAOYSA-N 2 2 228.361 2.043 20 0 BEADLP CSCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070585658 345788640 /nfs/dbraw/zinc/78/86/40/345788640.db2.gz DGHBYGKSJNIDEJ-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP CSCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070585658 345788642 /nfs/dbraw/zinc/78/86/42/345788642.db2.gz DGHBYGKSJNIDEJ-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000144339460 345920293 /nfs/dbraw/zinc/92/02/93/345920293.db2.gz ODXYRJNAXYHENC-UHFFFAOYSA-N 2 2 207.321 2.389 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166877953 345925230 /nfs/dbraw/zinc/92/52/30/345925230.db2.gz XRUDINQYLIRQCG-VXGBXAGGSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166877953 345925234 /nfs/dbraw/zinc/92/52/34/345925234.db2.gz XRUDINQYLIRQCG-VXGBXAGGSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@@H+]1C ZINC000628223412 345964306 /nfs/dbraw/zinc/96/43/06/345964306.db2.gz CYPPSQQJZIHXGW-PWSUYJOCSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223412 345964307 /nfs/dbraw/zinc/96/43/07/345964307.db2.gz CYPPSQQJZIHXGW-PWSUYJOCSA-N 2 2 249.358 2.124 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccccc1OC ZINC000149736210 346151345 /nfs/dbraw/zinc/15/13/45/346151345.db2.gz VAJRSNQMRXMCGU-CYBMUJFWSA-N 2 2 236.359 2.345 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000397533631 346200295 /nfs/dbraw/zinc/20/02/95/346200295.db2.gz MLPUHIVJDDLKLM-JSGCOSHPSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1cccc(C)c1C[NH2+]CC[NH+]1CCCC1 ZINC000215388265 179036774 /nfs/dbraw/zinc/03/67/74/179036774.db2.gz XCHFVBBLDYRUGI-UHFFFAOYSA-N 2 2 232.371 2.489 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000238508498 179036881 /nfs/dbraw/zinc/03/68/81/179036881.db2.gz CNOQIAGAAIFGMY-CYBMUJFWSA-N 2 2 218.344 2.145 20 0 BEADLP CCc1nc(NCc2[nH+]ccn2CC)cc(C)[nH+]1 ZINC000295081174 346357630 /nfs/dbraw/zinc/35/76/30/346357630.db2.gz XTXPIBVUNHFYJB-UHFFFAOYSA-N 2 2 245.330 2.176 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@H]2CCC[NH2+]2)c1 ZINC000042435905 179065665 /nfs/dbraw/zinc/06/56/65/179065665.db2.gz BMQCWIGTCXTRQN-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH2+]2)c1 ZINC000042435905 179065667 /nfs/dbraw/zinc/06/56/67/179065667.db2.gz BMQCWIGTCXTRQN-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000336686391 179065795 /nfs/dbraw/zinc/06/57/95/179065795.db2.gz ALYWPJXZCSLSEU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000336686391 179065796 /nfs/dbraw/zinc/06/57/96/179065796.db2.gz ALYWPJXZCSLSEU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000336686391 179065798 /nfs/dbraw/zinc/06/57/98/179065798.db2.gz ALYWPJXZCSLSEU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000336686391 179065800 /nfs/dbraw/zinc/06/58/00/179065800.db2.gz ALYWPJXZCSLSEU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000042435904 179066845 /nfs/dbraw/zinc/06/68/45/179066845.db2.gz BMQCWIGTCXTRQN-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]2)c1 ZINC000042435904 179066847 /nfs/dbraw/zinc/06/68/47/179066847.db2.gz BMQCWIGTCXTRQN-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000574924515 346414435 /nfs/dbraw/zinc/41/44/35/346414435.db2.gz SBKYTTWXPUCQSH-CHWSQXEVSA-N 2 2 231.343 2.318 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000574924515 346414438 /nfs/dbraw/zinc/41/44/38/346414438.db2.gz SBKYTTWXPUCQSH-CHWSQXEVSA-N 2 2 231.343 2.318 20 0 BEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000603413085 349961336 /nfs/dbraw/zinc/96/13/36/349961336.db2.gz VKDJXGDPVXNIFD-JTQLQIEISA-N 2 2 229.274 2.094 20 0 BEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000603413085 349961340 /nfs/dbraw/zinc/96/13/40/349961340.db2.gz VKDJXGDPVXNIFD-JTQLQIEISA-N 2 2 229.274 2.094 20 0 BEADLP CC[NH2+]CC1CC[NH+](CC(F)(F)CC)CC1 ZINC000641796644 362739736 /nfs/dbraw/zinc/73/97/36/362739736.db2.gz FRBVWCPUXPIBAT-UHFFFAOYSA-N 2 2 234.334 2.353 20 0 BEADLP Cc1cncc(C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803393 362759587 /nfs/dbraw/zinc/75/95/87/362759587.db2.gz CMAWHYDMPVSZNS-YDHLFZDLSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cncc(C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803393 362759592 /nfs/dbraw/zinc/75/95/92/362759592.db2.gz CMAWHYDMPVSZNS-YDHLFZDLSA-N 2 2 247.386 2.338 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000380156608 346566310 /nfs/dbraw/zinc/56/63/10/346566310.db2.gz ZFILEYPLVBFKSD-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000380156608 346566314 /nfs/dbraw/zinc/56/63/14/346566314.db2.gz ZFILEYPLVBFKSD-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000380156610 346565782 /nfs/dbraw/zinc/56/57/82/346565782.db2.gz ZFILEYPLVBFKSD-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000380156610 346565787 /nfs/dbraw/zinc/56/57/87/346565787.db2.gz ZFILEYPLVBFKSD-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H](c1ccncc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000162534934 346525999 /nfs/dbraw/zinc/52/59/99/346525999.db2.gz RLMVARGHCRPOIS-AWEZNQCLSA-N 2 2 244.342 2.361 20 0 BEADLP CC[C@@H](c1ccncc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000162534934 346526002 /nfs/dbraw/zinc/52/60/02/346526002.db2.gz RLMVARGHCRPOIS-AWEZNQCLSA-N 2 2 244.342 2.361 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810745 362766835 /nfs/dbraw/zinc/76/68/35/362766835.db2.gz ZCDMDJFUHVZIGL-IPYPFGDCSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810745 362766837 /nfs/dbraw/zinc/76/68/37/362766837.db2.gz ZCDMDJFUHVZIGL-IPYPFGDCSA-N 2 2 247.386 2.338 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000380607921 365841439 /nfs/dbraw/zinc/84/14/39/365841439.db2.gz JFMXPWBBAOLNJY-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000380607921 365841443 /nfs/dbraw/zinc/84/14/43/365841443.db2.gz JFMXPWBBAOLNJY-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000037486972 346701133 /nfs/dbraw/zinc/70/11/33/346701133.db2.gz OYNXOMSVFDBGFT-UHFFFAOYSA-N 2 2 239.706 2.309 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000250595371 537986745 /nfs/dbraw/zinc/98/67/45/537986745.db2.gz IODVGRCQFCJVOE-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000250595371 537986751 /nfs/dbraw/zinc/98/67/51/537986751.db2.gz IODVGRCQFCJVOE-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000641821636 362772631 /nfs/dbraw/zinc/77/26/31/362772631.db2.gz NEPHSXFKSRWXJG-GHMZBOCLSA-N 2 2 234.334 2.481 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000641821636 362772636 /nfs/dbraw/zinc/77/26/36/362772636.db2.gz NEPHSXFKSRWXJG-GHMZBOCLSA-N 2 2 234.334 2.481 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000380258431 347213150 /nfs/dbraw/zinc/21/31/50/347213150.db2.gz QWLHOFMKXYBXAW-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000310020279 347219571 /nfs/dbraw/zinc/21/95/71/347219571.db2.gz MYDJIIALCHDKRS-WDEREUQCSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000310020279 347219575 /nfs/dbraw/zinc/21/95/75/347219575.db2.gz MYDJIIALCHDKRS-WDEREUQCSA-N 2 2 221.348 2.291 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000037184087 179194601 /nfs/dbraw/zinc/19/46/01/179194601.db2.gz MOCBBFLKAOGLDM-LBPRGKRZSA-N 2 2 206.333 2.207 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[NH+](C)C ZINC000309521968 179215542 /nfs/dbraw/zinc/21/55/42/179215542.db2.gz ARJDYOLPLUBYKF-AWEZNQCLSA-N 2 2 218.344 2.134 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000020226766 347430968 /nfs/dbraw/zinc/43/09/68/347430968.db2.gz OPRBNDCEPWHJTK-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000020226766 347430970 /nfs/dbraw/zinc/43/09/70/347430970.db2.gz OPRBNDCEPWHJTK-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccs1 ZINC000020126841 259395798 /nfs/dbraw/zinc/39/57/98/259395798.db2.gz VAJKBPMXONDBIC-NSHDSACASA-N 2 2 224.373 2.495 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](Cc3cscn3)C2)c[nH+]1 ZINC000591866865 347707669 /nfs/dbraw/zinc/70/76/69/347707669.db2.gz IALAMJCKXVOCRQ-GFCCVEGCSA-N 2 2 248.355 2.177 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](Cc3cscn3)C2)c[nH+]1 ZINC000591866865 347707672 /nfs/dbraw/zinc/70/76/72/347707672.db2.gz IALAMJCKXVOCRQ-GFCCVEGCSA-N 2 2 248.355 2.177 20 0 BEADLP Cc1ccccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000035274986 179284236 /nfs/dbraw/zinc/28/42/36/179284236.db2.gz NREOFFWWJAKJBZ-CYBMUJFWSA-N 2 2 229.327 2.370 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000061989165 179291205 /nfs/dbraw/zinc/29/12/05/179291205.db2.gz HNFBPYLOHAUOFT-ZFWWWQNUSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000061989165 179291207 /nfs/dbraw/zinc/29/12/07/179291207.db2.gz HNFBPYLOHAUOFT-ZFWWWQNUSA-N 2 2 232.371 2.220 20 0 BEADLP CSCC1(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000594963599 348145591 /nfs/dbraw/zinc/14/55/91/348145591.db2.gz RWULWNYIQQEDSV-NWDGAFQWSA-N 2 2 242.432 2.059 20 0 BEADLP CSCC1(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000594963599 348145593 /nfs/dbraw/zinc/14/55/93/348145593.db2.gz RWULWNYIQQEDSV-NWDGAFQWSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CSCCF ZINC000595003847 348169623 /nfs/dbraw/zinc/16/96/23/348169623.db2.gz LLPLUYRWPRODFM-NEPJUHHUSA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CSCCF ZINC000595003847 348169628 /nfs/dbraw/zinc/16/96/28/348169628.db2.gz LLPLUYRWPRODFM-NEPJUHHUSA-N 2 2 248.411 2.152 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CSCCF)C1 ZINC000595097559 348194264 /nfs/dbraw/zinc/19/42/64/348194264.db2.gz XPFZNLMEPJABKT-NEPJUHHUSA-N 2 2 248.411 2.152 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CSCCF)C1 ZINC000595097559 348194265 /nfs/dbraw/zinc/19/42/65/348194265.db2.gz XPFZNLMEPJABKT-NEPJUHHUSA-N 2 2 248.411 2.152 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]CCC1CCOCC1 ZINC000397536346 362891800 /nfs/dbraw/zinc/89/18/00/362891800.db2.gz PIHSWTWSJIAFTG-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419382986 192133629 /nfs/dbraw/zinc/13/36/29/192133629.db2.gz ZPWFOLCXXOJTFB-TUAOUCFPSA-N 2 2 221.348 2.168 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419382986 192133630 /nfs/dbraw/zinc/13/36/30/192133630.db2.gz ZPWFOLCXXOJTFB-TUAOUCFPSA-N 2 2 221.348 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1CC1 ZINC000289184967 179474022 /nfs/dbraw/zinc/47/40/22/179474022.db2.gz TWKVZGWORNEHPC-UHFFFAOYSA-N 2 2 204.317 2.417 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1CC1 ZINC000289184967 179474026 /nfs/dbraw/zinc/47/40/26/179474026.db2.gz TWKVZGWORNEHPC-UHFFFAOYSA-N 2 2 204.317 2.417 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862728 348855548 /nfs/dbraw/zinc/85/55/48/348855548.db2.gz POPSZLQEKQDSCZ-UWVGGRQHSA-N 2 2 238.297 2.259 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000082862730 348855797 /nfs/dbraw/zinc/85/57/97/348855797.db2.gz POPSZLQEKQDSCZ-ZJUUUORDSA-N 2 2 238.297 2.259 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250772097 538024886 /nfs/dbraw/zinc/02/48/86/538024886.db2.gz TZJBPERYLMSXRB-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000250772097 538024892 /nfs/dbraw/zinc/02/48/92/538024892.db2.gz TZJBPERYLMSXRB-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP C(C1CCC1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250824613 349180364 /nfs/dbraw/zinc/18/03/64/349180364.db2.gz HCRCMEYOTZQDIE-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CCC1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250824613 349180367 /nfs/dbraw/zinc/18/03/67/349180367.db2.gz HCRCMEYOTZQDIE-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000380262281 349280723 /nfs/dbraw/zinc/28/07/23/349280723.db2.gz RZJNJNQQZQXZPP-ZDUSSCGKSA-N 2 2 210.365 2.415 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000380262281 349280726 /nfs/dbraw/zinc/28/07/26/349280726.db2.gz RZJNJNQQZQXZPP-ZDUSSCGKSA-N 2 2 210.365 2.415 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304556191 350163146 /nfs/dbraw/zinc/16/31/46/350163146.db2.gz KRPSYXSZWCOBNW-DGAVXFQQSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304556191 350163151 /nfs/dbraw/zinc/16/31/51/350163151.db2.gz KRPSYXSZWCOBNW-DGAVXFQQSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000227199151 180143888 /nfs/dbraw/zinc/14/38/88/180143888.db2.gz HQQATSXARCFIIU-JOYOIKCWSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000227199151 180143890 /nfs/dbraw/zinc/14/38/90/180143890.db2.gz HQQATSXARCFIIU-JOYOIKCWSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000069727148 180143487 /nfs/dbraw/zinc/14/34/87/180143487.db2.gz HQQATSXARCFIIU-CABZTGNLSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000069727148 180143489 /nfs/dbraw/zinc/14/34/89/180143489.db2.gz HQQATSXARCFIIU-CABZTGNLSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000083390788 350194430 /nfs/dbraw/zinc/19/44/30/350194430.db2.gz WTWCIDRNCRIQRY-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000083390784 350194530 /nfs/dbraw/zinc/19/45/30/350194530.db2.gz WTWCIDRNCRIQRY-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422739497 192449568 /nfs/dbraw/zinc/44/95/68/192449568.db2.gz LOHWDTSVJNVNKW-OLZOCXBDSA-N 2 2 234.343 2.055 20 0 BEADLP Cc1nc(NCC[NH+]2CCCCCC2)cc[nH+]1 ZINC000054936107 180198648 /nfs/dbraw/zinc/19/86/48/180198648.db2.gz GKDNCNVONGUEJT-UHFFFAOYSA-N 2 2 234.347 2.073 20 0 BEADLP Cc1nc(NC2CC[NH+](C(C)(C)C)CC2)cc[nH+]1 ZINC000266391935 180199386 /nfs/dbraw/zinc/19/93/86/180199386.db2.gz OBACVGVQIHOURD-UHFFFAOYSA-N 2 2 248.374 2.460 20 0 BEADLP Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266190667 180200033 /nfs/dbraw/zinc/20/00/33/180200033.db2.gz BTMHVRGPQNQWKH-NEPJUHHUSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266190667 180200034 /nfs/dbraw/zinc/20/00/34/180200034.db2.gz BTMHVRGPQNQWKH-NEPJUHHUSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1[nH+]cccc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128062224 180227862 /nfs/dbraw/zinc/22/78/62/180227862.db2.gz GHJCZCWODRTUHJ-PWSUYJOCSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1[nH+]cccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128062224 180227864 /nfs/dbraw/zinc/22/78/64/180227864.db2.gz GHJCZCWODRTUHJ-PWSUYJOCSA-N 2 2 219.332 2.285 20 0 BEADLP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745998 192450721 /nfs/dbraw/zinc/45/07/21/192450721.db2.gz YSBDBLDCHHFDCZ-VHDGCEQUSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000334382973 180254377 /nfs/dbraw/zinc/25/43/77/180254377.db2.gz KQCMKULAIOZDQN-NWDGAFQWSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000334382973 180254380 /nfs/dbraw/zinc/25/43/80/180254380.db2.gz KQCMKULAIOZDQN-NWDGAFQWSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000336554996 180254603 /nfs/dbraw/zinc/25/46/03/180254603.db2.gz ZAHXYRCKKVRYHE-PHIMTYICSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000336554996 180254605 /nfs/dbraw/zinc/25/46/05/180254605.db2.gz ZAHXYRCKKVRYHE-PHIMTYICSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000276890530 180255388 /nfs/dbraw/zinc/25/53/88/180255388.db2.gz GEGPIDFGKIORPY-NSHDSACASA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@@H](C)CC1 ZINC000276890530 180255391 /nfs/dbraw/zinc/25/53/91/180255391.db2.gz GEGPIDFGKIORPY-NSHDSACASA-N 2 2 239.388 2.019 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000252468339 538088631 /nfs/dbraw/zinc/08/86/31/538088631.db2.gz KWTZCSMTJDTAOI-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000252468339 538088633 /nfs/dbraw/zinc/08/86/33/538088633.db2.gz KWTZCSMTJDTAOI-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)C(C)C ZINC000163398992 350518277 /nfs/dbraw/zinc/51/82/77/350518277.db2.gz HZGMNTUWXQUORK-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)C(C)C ZINC000163398992 350518279 /nfs/dbraw/zinc/51/82/79/350518279.db2.gz HZGMNTUWXQUORK-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000070558447 350534669 /nfs/dbraw/zinc/53/46/69/350534669.db2.gz SSSRXQCLYLZVRW-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000070558517 350537879 /nfs/dbraw/zinc/53/78/79/350537879.db2.gz SBTNRNRGEAEKCR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000070558517 350537881 /nfs/dbraw/zinc/53/78/81/350537881.db2.gz SBTNRNRGEAEKCR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[C@H](C)[C@H](C)[NH2+]CC[NH+](C)C ZINC000336645875 350557358 /nfs/dbraw/zinc/55/73/58/350557358.db2.gz CCYMWGOOZUMNOG-RYUDHWBXSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1C ZINC000322020330 323395396 /nfs/dbraw/zinc/39/53/96/323395396.db2.gz KFXZWJVCVMMSHF-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1[nH+]cn(Cc2c[nH+]c3ccccn23)c1C ZINC000177304318 365992474 /nfs/dbraw/zinc/99/24/74/365992474.db2.gz MWAORBNEDJLUES-UHFFFAOYSA-N 2 2 226.283 2.196 20 0 BEADLP Cc1cccnc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000563362304 350824439 /nfs/dbraw/zinc/82/44/39/350824439.db2.gz BFYSXNMXLXKBEL-UONOGXRCSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccnc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000563362304 350824440 /nfs/dbraw/zinc/82/44/40/350824440.db2.gz BFYSXNMXLXKBEL-UONOGXRCSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccnc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000563362304 350824442 /nfs/dbraw/zinc/82/44/42/350824442.db2.gz BFYSXNMXLXKBEL-UONOGXRCSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccnc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000563362304 350824446 /nfs/dbraw/zinc/82/44/46/350824446.db2.gz BFYSXNMXLXKBEL-UONOGXRCSA-N 2 2 245.370 2.059 20 0 BEADLP COc1ccccc1[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616615203 350844562 /nfs/dbraw/zinc/84/45/62/350844562.db2.gz SMFPCEFEBZGKGG-CYBMUJFWSA-N 2 2 234.343 2.181 20 0 BEADLP COc1ccccc1[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000616615203 350844564 /nfs/dbraw/zinc/84/45/64/350844564.db2.gz SMFPCEFEBZGKGG-CYBMUJFWSA-N 2 2 234.343 2.181 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccn1 ZINC000623562376 362985929 /nfs/dbraw/zinc/98/59/29/362985929.db2.gz PWIDZDSNOMPABB-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccn1 ZINC000623562376 362985930 /nfs/dbraw/zinc/98/59/30/362985930.db2.gz PWIDZDSNOMPABB-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP C/C=C\C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000623738960 350881314 /nfs/dbraw/zinc/88/13/14/350881314.db2.gz CZXSWRKHNOBCQN-ARJAWSKDSA-N 2 2 215.300 2.308 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336699840 351043365 /nfs/dbraw/zinc/04/33/65/351043365.db2.gz OZTBTUAXFIPDEU-WUHRBBMRSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336699840 351043367 /nfs/dbraw/zinc/04/33/67/351043367.db2.gz OZTBTUAXFIPDEU-WUHRBBMRSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+](C)[C@H](C[NH2+]C1CCOCC1)c1ccccc1 ZINC000036304134 358461843 /nfs/dbraw/zinc/46/18/43/358461843.db2.gz GRZBPIXLKKTPGM-OAHLLOKOSA-N 2 2 248.370 2.058 20 0 BEADLP C([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000623614605 363055112 /nfs/dbraw/zinc/05/51/12/363055112.db2.gz RUOUDLJPQLXQFQ-CQSZACIVSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000623614605 363055115 /nfs/dbraw/zinc/05/51/15/363055115.db2.gz RUOUDLJPQLXQFQ-CQSZACIVSA-N 2 2 222.376 2.393 20 0 BEADLP CCc1ncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000577741837 366049399 /nfs/dbraw/zinc/04/93/99/366049399.db2.gz GUBVWOFUGBSGLI-VHSXEESVSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1ncc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000577741837 366049401 /nfs/dbraw/zinc/04/94/01/366049401.db2.gz GUBVWOFUGBSGLI-VHSXEESVSA-N 2 2 239.388 2.017 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)sn1 ZINC000638018552 351896917 /nfs/dbraw/zinc/89/69/17/351896917.db2.gz QZLXHBGBCHZLHH-LLVKDONJSA-N 2 2 248.355 2.177 20 0 BEADLP c1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)sn1 ZINC000638018552 351896919 /nfs/dbraw/zinc/89/69/19/351896919.db2.gz QZLXHBGBCHZLHH-LLVKDONJSA-N 2 2 248.355 2.177 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000159675900 352098745 /nfs/dbraw/zinc/09/87/45/352098745.db2.gz HIPLUELNYXMBKG-AWEZNQCLSA-N 2 2 236.334 2.303 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1F ZINC000159675900 352098748 /nfs/dbraw/zinc/09/87/48/352098748.db2.gz HIPLUELNYXMBKG-AWEZNQCLSA-N 2 2 236.334 2.303 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638280219 352117582 /nfs/dbraw/zinc/11/75/82/352117582.db2.gz AQOFLSXBPUGNDV-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638280219 352117584 /nfs/dbraw/zinc/11/75/84/352117584.db2.gz AQOFLSXBPUGNDV-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H](CC)[NH+]1CCCC1)OC ZINC000638353914 352167547 /nfs/dbraw/zinc/16/75/47/352167547.db2.gz DLLHFQXADYWQDD-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362698 352173059 /nfs/dbraw/zinc/17/30/59/352173059.db2.gz CJRFKPSAJYQSBH-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362698 352173062 /nfs/dbraw/zinc/17/30/62/352173062.db2.gz CJRFKPSAJYQSBH-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638363507 352173821 /nfs/dbraw/zinc/17/38/21/352173821.db2.gz NOCVAHOGJBGYQX-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638363507 352173825 /nfs/dbraw/zinc/17/38/25/352173825.db2.gz NOCVAHOGJBGYQX-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC1(F)F ZINC000638363927 352176541 /nfs/dbraw/zinc/17/65/41/352176541.db2.gz SXGHTMNZZQNKEP-WOPDTQHZSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@@H]1CC1(F)F ZINC000638363927 352176543 /nfs/dbraw/zinc/17/65/43/352176543.db2.gz SXGHTMNZZQNKEP-WOPDTQHZSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)OC ZINC000638363931 352177067 /nfs/dbraw/zinc/17/70/67/352177067.db2.gz SXNYZOAUBLMHBF-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)OC ZINC000638363931 352177068 /nfs/dbraw/zinc/17/70/68/352177068.db2.gz SXNYZOAUBLMHBF-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1CC1(F)F ZINC000638364211 352177114 /nfs/dbraw/zinc/17/71/14/352177114.db2.gz XLMHURLVQKBELY-VXGBXAGGSA-N 2 2 246.345 2.352 20 0 BEADLP CC1CC[NH+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638363994 352177196 /nfs/dbraw/zinc/17/71/96/352177196.db2.gz UXQUMHCCYOVDQE-QDMKHBRRSA-N 2 2 236.403 2.354 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000638404888 352211378 /nfs/dbraw/zinc/21/13/78/352211378.db2.gz OWWABOGWMZJSPY-WDEREUQCSA-N 2 2 243.301 2.297 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000044535253 352351635 /nfs/dbraw/zinc/35/16/35/352351635.db2.gz RJOQMJCTPDCGOP-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)o1 ZINC000044535253 352351637 /nfs/dbraw/zinc/35/16/37/352351637.db2.gz RJOQMJCTPDCGOP-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000414957955 352378769 /nfs/dbraw/zinc/37/87/69/352378769.db2.gz RKTCFMURAXHVNK-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638586884 352418586 /nfs/dbraw/zinc/41/85/86/352418586.db2.gz XBPJMNSXWSSBKJ-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638586884 352418588 /nfs/dbraw/zinc/41/85/88/352418588.db2.gz XBPJMNSXWSSBKJ-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638586883 352418598 /nfs/dbraw/zinc/41/85/98/352418598.db2.gz XBPJMNSXWSSBKJ-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638586883 352418599 /nfs/dbraw/zinc/41/85/99/352418599.db2.gz XBPJMNSXWSSBKJ-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638603048 352439328 /nfs/dbraw/zinc/43/93/28/352439328.db2.gz GXXJAOTWFCXGIH-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638603048 352439333 /nfs/dbraw/zinc/43/93/33/352439333.db2.gz GXXJAOTWFCXGIH-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[N@H+](C)C1CC1 ZINC000638576336 352407003 /nfs/dbraw/zinc/40/70/03/352407003.db2.gz ZDURCFCQPSPQFF-FVCCEPFGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000638576336 352407007 /nfs/dbraw/zinc/40/70/07/352407007.db2.gz ZDURCFCQPSPQFF-FVCCEPFGSA-N 2 2 222.376 2.105 20 0 BEADLP CCc1cnc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000300360549 352560216 /nfs/dbraw/zinc/56/02/16/352560216.db2.gz UEAQTUGNVFEQDX-ZJUUUORDSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1cnc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000300360549 352560219 /nfs/dbraw/zinc/56/02/19/352560219.db2.gz UEAQTUGNVFEQDX-ZJUUUORDSA-N 2 2 239.388 2.017 20 0 BEADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000045045923 352663669 /nfs/dbraw/zinc/66/36/69/352663669.db2.gz DSNHDYNBIKSWOC-CQSZACIVSA-N 2 2 218.344 2.343 20 0 BEADLP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000045045923 352663673 /nfs/dbraw/zinc/66/36/73/352663673.db2.gz DSNHDYNBIKSWOC-CQSZACIVSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000043324959 352636495 /nfs/dbraw/zinc/63/64/95/352636495.db2.gz WXGBUUFJXVQAJR-MFKMUULPSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000043327141 352637217 /nfs/dbraw/zinc/63/72/17/352637217.db2.gz IPVBKCBQTMOUBP-QWRGUYRKSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000043326489 352637616 /nfs/dbraw/zinc/63/76/16/352637616.db2.gz YLZSLHZYOODJCO-HIFRSBDPSA-N 2 2 248.370 2.488 20 0 BEADLP c1cn([C@@H]2CCCN(c3cccc[nH+]3)C2)c[nH+]1 ZINC000608083268 352755785 /nfs/dbraw/zinc/75/57/85/352755785.db2.gz UHDILOPZLXVAGW-GFCCVEGCSA-N 2 2 228.299 2.120 20 0 BEADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]cc1Cl ZINC000334237186 352855313 /nfs/dbraw/zinc/85/53/13/352855313.db2.gz LVCFBGYLRHATNQ-NXEZZACHSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]cc1Cl ZINC000334237186 352855318 /nfs/dbraw/zinc/85/53/18/352855318.db2.gz LVCFBGYLRHATNQ-NXEZZACHSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422799885 192474220 /nfs/dbraw/zinc/47/42/20/192474220.db2.gz AFTHAJJKLZNXFZ-RNCFNFMXSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334267984 352904051 /nfs/dbraw/zinc/90/40/51/352904051.db2.gz OFEGHOZTAWSKLH-RNCFNFMXSA-N 2 2 240.297 2.005 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000638866287 353040435 /nfs/dbraw/zinc/04/04/35/353040435.db2.gz QSNOEYFOXYLDHG-ZDUSSCGKSA-N 2 2 220.360 2.077 20 0 BEADLP CC(C)C1(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000638918304 353082367 /nfs/dbraw/zinc/08/23/67/353082367.db2.gz PJRMRJXHKCWFDJ-UONOGXRCSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CC1 ZINC000638918304 353082369 /nfs/dbraw/zinc/08/23/69/353082369.db2.gz PJRMRJXHKCWFDJ-UONOGXRCSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000638918304 353082371 /nfs/dbraw/zinc/08/23/71/353082371.db2.gz PJRMRJXHKCWFDJ-UONOGXRCSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000638918304 353082373 /nfs/dbraw/zinc/08/23/73/353082373.db2.gz PJRMRJXHKCWFDJ-UONOGXRCSA-N 2 2 236.403 2.449 20 0 BEADLP C[N@H+](CCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000336683970 188011102 /nfs/dbraw/zinc/01/11/02/188011102.db2.gz UFXHEXDYXHZFHC-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP C[N@@H+](CCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000336683970 188011104 /nfs/dbraw/zinc/01/11/04/188011104.db2.gz UFXHEXDYXHZFHC-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP C[NH+](CCC(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000336683970 188011106 /nfs/dbraw/zinc/01/11/06/188011106.db2.gz UFXHEXDYXHZFHC-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP C[NH+](CCC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336683970 188011108 /nfs/dbraw/zinc/01/11/08/188011108.db2.gz UFXHEXDYXHZFHC-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP C1=CC[C@H](C[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000042254474 188043402 /nfs/dbraw/zinc/04/34/02/188043402.db2.gz XTIAEVPEDAYSOF-AWEZNQCLSA-N 2 2 222.376 2.418 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCSC1)[NH+](C)C ZINC000020201160 188005057 /nfs/dbraw/zinc/00/50/57/188005057.db2.gz KHMBYEPLHRYEPQ-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[NH+]2CCCC2)cn1 ZINC000354560888 188235722 /nfs/dbraw/zinc/23/57/22/188235722.db2.gz DHLGUYUTAPMBHF-UHFFFAOYSA-N 2 2 247.386 2.008 20 0 BEADLP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)nc1 ZINC000126955982 188258109 /nfs/dbraw/zinc/25/81/09/188258109.db2.gz JUCKJKWRIDYEGJ-UHFFFAOYSA-N 2 2 247.386 2.356 20 0 BEADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000270870103 188262870 /nfs/dbraw/zinc/26/28/70/188262870.db2.gz LKYPTIHQILNVEZ-UHFFFAOYSA-N 2 2 229.327 2.408 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157789 188279638 /nfs/dbraw/zinc/27/96/38/188279638.db2.gz NDPSPFHHUJWEAY-VXGBXAGGSA-N 2 2 209.337 2.296 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684205 188326425 /nfs/dbraw/zinc/32/64/25/188326425.db2.gz RXOPLWJTDRXTAW-NWDGAFQWSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684205 188326426 /nfs/dbraw/zinc/32/64/26/188326426.db2.gz RXOPLWJTDRXTAW-NWDGAFQWSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336682871 188341728 /nfs/dbraw/zinc/34/17/28/188341728.db2.gz SCRKBPJULJUBNY-QWRGUYRKSA-N 2 2 221.348 2.291 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336682871 188341730 /nfs/dbraw/zinc/34/17/30/188341730.db2.gz SCRKBPJULJUBNY-QWRGUYRKSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336750729 188346867 /nfs/dbraw/zinc/34/68/67/188346867.db2.gz ZRPMEYWDEHUURZ-AEJSXWLSSA-N 2 2 238.297 2.257 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336750729 188346869 /nfs/dbraw/zinc/34/68/69/188346869.db2.gz ZRPMEYWDEHUURZ-AEJSXWLSSA-N 2 2 238.297 2.257 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000310552186 188348982 /nfs/dbraw/zinc/34/89/82/188348982.db2.gz UWEGRDTXLQQMRJ-UONOGXRCSA-N 3 2 243.439 2.070 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000231634470 188363896 /nfs/dbraw/zinc/36/38/96/188363896.db2.gz NPULTFBFVPRBRJ-ZDUSSCGKSA-N 2 2 235.375 2.463 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000231634470 188363898 /nfs/dbraw/zinc/36/38/98/188363898.db2.gz NPULTFBFVPRBRJ-ZDUSSCGKSA-N 2 2 235.375 2.463 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337990321 188364999 /nfs/dbraw/zinc/36/49/99/188364999.db2.gz BDZWLFNQBPWEIO-SNPRPXQTSA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337990321 188365000 /nfs/dbraw/zinc/36/50/00/188365000.db2.gz BDZWLFNQBPWEIO-SNPRPXQTSA-N 2 2 234.387 2.391 20 0 BEADLP C[N@H+](CCCCCF)CCCn1cc[nH+]c1 ZINC000284060948 188386033 /nfs/dbraw/zinc/38/60/33/188386033.db2.gz KDTFYJYJYZKWEP-UHFFFAOYSA-N 2 2 227.327 2.345 20 0 BEADLP C[N@@H+](CCCCCF)CCCn1cc[nH+]c1 ZINC000284060948 188386034 /nfs/dbraw/zinc/38/60/34/188386034.db2.gz KDTFYJYJYZKWEP-UHFFFAOYSA-N 2 2 227.327 2.345 20 0 BEADLP FC(F)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343318772 353669773 /nfs/dbraw/zinc/66/97/73/353669773.db2.gz GYYCMJRZQQKUFT-UHFFFAOYSA-N 2 2 243.301 2.250 20 0 BEADLP C[C@@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343318837 353671771 /nfs/dbraw/zinc/67/17/71/353671771.db2.gz YVQMANVBQGBLSP-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343318837 353671773 /nfs/dbraw/zinc/67/17/73/353671773.db2.gz YVQMANVBQGBLSP-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP Fc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335562371 181011882 /nfs/dbraw/zinc/01/18/82/181011882.db2.gz UZRBXINWSPNTMP-UHFFFAOYSA-N 2 2 234.318 2.154 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994600 181011309 /nfs/dbraw/zinc/01/13/09/181011309.db2.gz BMZOPSYLEPPXCL-AWEZNQCLSA-N 2 2 234.318 2.011 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994600 181011312 /nfs/dbraw/zinc/01/13/12/181011312.db2.gz BMZOPSYLEPPXCL-AWEZNQCLSA-N 2 2 234.318 2.011 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1C[C@H]3C[C@H]3C1)CCCC2 ZINC000639148014 353852236 /nfs/dbraw/zinc/85/22/36/353852236.db2.gz ATRSXYRANIMCAJ-CLLJXQQHSA-N 2 2 245.370 2.355 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000343633817 353948624 /nfs/dbraw/zinc/94/86/24/353948624.db2.gz DMRKFBBTOHDCHN-ZIAGYGMSSA-N 2 2 245.370 2.168 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)ccc1F ZINC000334539991 353928007 /nfs/dbraw/zinc/92/80/07/353928007.db2.gz RIAMZFRJSXKLFW-FZMZJTMJSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)ccc1F ZINC000334539991 353928008 /nfs/dbraw/zinc/92/80/08/353928008.db2.gz RIAMZFRJSXKLFW-FZMZJTMJSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCOC2)c[nH+]1 ZINC000343644024 353951917 /nfs/dbraw/zinc/95/19/17/353951917.db2.gz WALDIRRHGVQWTD-UKRRQHHQSA-N 2 2 248.370 2.337 20 0 BEADLP CO[C@@H](C)CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000343951678 354070222 /nfs/dbraw/zinc/07/02/22/354070222.db2.gz NLQBIYDZTKNRHF-LBPRGKRZSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC000449736715 202014487 /nfs/dbraw/zinc/01/44/87/202014487.db2.gz NYFIJXUJBPYRHM-LSDHHAIUSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000344340165 354236277 /nfs/dbraw/zinc/23/62/77/354236277.db2.gz LBRBVOGMLPXWLN-HYWXAPFVSA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000344340165 354236281 /nfs/dbraw/zinc/23/62/81/354236281.db2.gz LBRBVOGMLPXWLN-HYWXAPFVSA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]cn1C ZINC000334616188 354302928 /nfs/dbraw/zinc/30/29/28/354302928.db2.gz PQKBJOUGZOCLRR-IINYFYTJSA-N 2 2 243.310 2.032 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000344588764 354320829 /nfs/dbraw/zinc/32/08/29/354320829.db2.gz UHNYIEFKQKZXCD-SWLSCSKDSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344588764 354320831 /nfs/dbraw/zinc/32/08/31/354320831.db2.gz UHNYIEFKQKZXCD-SWLSCSKDSA-N 2 2 232.371 2.289 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634744 366201179 /nfs/dbraw/zinc/20/11/79/366201179.db2.gz ZPCIUTGSVGNKDN-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634744 366201186 /nfs/dbraw/zinc/20/11/86/366201186.db2.gz ZPCIUTGSVGNKDN-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000623634621 366202396 /nfs/dbraw/zinc/20/23/96/366202396.db2.gz MZSQXECDNBZURN-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000623634621 366202401 /nfs/dbraw/zinc/20/24/01/366202401.db2.gz MZSQXECDNBZURN-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000345045340 354458504 /nfs/dbraw/zinc/45/85/04/354458504.db2.gz ZDJLZUKATUOQBW-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000345045340 354458505 /nfs/dbraw/zinc/45/85/05/354458505.db2.gz ZDJLZUKATUOQBW-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP Cn1cccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334733950 354534336 /nfs/dbraw/zinc/53/43/36/354534336.db2.gz IDTDAMGFLUGRBS-UHFFFAOYSA-N 2 2 244.342 2.128 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000334734623 354535005 /nfs/dbraw/zinc/53/50/05/354535005.db2.gz HEJNJEGBCLQKHY-LBPRGKRZSA-N 2 2 247.367 2.358 20 0 BEADLP CCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000165962965 354509987 /nfs/dbraw/zinc/50/99/87/354509987.db2.gz CBWKNPWWTGGJRM-UHFFFAOYSA-N 2 2 233.359 2.312 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(Cl)cc1C ZINC000233516774 363403829 /nfs/dbraw/zinc/40/38/29/363403829.db2.gz CFBNQBVTMYGQPU-UHFFFAOYSA-N 2 2 226.751 2.348 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000335165725 354922483 /nfs/dbraw/zinc/92/24/83/354922483.db2.gz WSWKNTZATMIQLE-CMPLNLGQSA-N 2 2 224.373 2.144 20 0 BEADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000346549428 354983599 /nfs/dbraw/zinc/98/35/99/354983599.db2.gz BWSJDIHRHMWDTR-AWEZNQCLSA-N 2 2 242.407 2.025 20 0 BEADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000346549428 354983601 /nfs/dbraw/zinc/98/36/01/354983601.db2.gz BWSJDIHRHMWDTR-AWEZNQCLSA-N 2 2 242.407 2.025 20 0 BEADLP CC(C)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000346627626 354997451 /nfs/dbraw/zinc/99/74/51/354997451.db2.gz AGGJNMFRVMGZAL-AWEZNQCLSA-N 2 2 248.370 2.254 20 0 BEADLP CC(C)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000346627626 354997453 /nfs/dbraw/zinc/99/74/53/354997453.db2.gz AGGJNMFRVMGZAL-AWEZNQCLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1/C=C\C[NH+]1CCC([NH3+])CC1 ZINC000346671790 355008355 /nfs/dbraw/zinc/00/83/55/355008355.db2.gz VPXFGWDBAABQHR-XQRVVYSFSA-N 2 2 246.354 2.132 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000335231164 355074204 /nfs/dbraw/zinc/07/42/04/355074204.db2.gz ZMHPZBOMZOLXJW-JSGCOSHPSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000335231164 355074206 /nfs/dbraw/zinc/07/42/06/355074206.db2.gz ZMHPZBOMZOLXJW-JSGCOSHPSA-N 2 2 234.318 2.236 20 0 BEADLP Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000335182948 355081001 /nfs/dbraw/zinc/08/10/01/355081001.db2.gz YAHDVPZELLJQAP-SWLSCSKDSA-N 2 2 246.354 2.111 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000335215861 355054306 /nfs/dbraw/zinc/05/43/06/355054306.db2.gz INDOIQKEOZXBFB-RYUDHWBXSA-N 2 2 242.725 2.449 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CCC[N@@H+]1C ZINC000346800542 355108342 /nfs/dbraw/zinc/10/83/42/355108342.db2.gz RNYRXCQWNDTXMX-LRDDRELGSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CCC[N@H+]1C ZINC000346800542 355108345 /nfs/dbraw/zinc/10/83/45/355108345.db2.gz RNYRXCQWNDTXMX-LRDDRELGSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CCC[N@@H+]1C ZINC000346800541 355108365 /nfs/dbraw/zinc/10/83/65/355108365.db2.gz RNYRXCQWNDTXMX-BLLLJJGKSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CCC[N@H+]1C ZINC000346800541 355108370 /nfs/dbraw/zinc/10/83/70/355108370.db2.gz RNYRXCQWNDTXMX-BLLLJJGKSA-N 2 2 244.382 2.226 20 0 BEADLP CC[N@H+](Cc1cccc(F)c1)CC(C)(C)[NH3+] ZINC000346818069 355123813 /nfs/dbraw/zinc/12/38/13/355123813.db2.gz CQFPNUCDXIJHOZ-UHFFFAOYSA-N 2 2 224.323 2.385 20 0 BEADLP CC[N@@H+](Cc1cccc(F)c1)CC(C)(C)[NH3+] ZINC000346818069 355123817 /nfs/dbraw/zinc/12/38/17/355123817.db2.gz CQFPNUCDXIJHOZ-UHFFFAOYSA-N 2 2 224.323 2.385 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000040502655 358494448 /nfs/dbraw/zinc/49/44/48/358494448.db2.gz QMHAHBIYWNGNCR-HNNXBMFYSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000040502655 358494453 /nfs/dbraw/zinc/49/44/53/358494453.db2.gz QMHAHBIYWNGNCR-HNNXBMFYSA-N 2 2 244.382 2.228 20 0 BEADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000422838679 192485184 /nfs/dbraw/zinc/48/51/84/192485184.db2.gz OWOUIVITGBYOOL-HFAKWTLXSA-N 2 2 248.345 2.401 20 0 BEADLP CC[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)OC ZINC000412980112 191350138 /nfs/dbraw/zinc/35/01/38/191350138.db2.gz WDBKGOOAGKUZPR-LBPRGKRZSA-N 2 2 237.347 2.014 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cscn1 ZINC000335281662 355272013 /nfs/dbraw/zinc/27/20/13/355272013.db2.gz JGQQGIZXNROIIP-VHSXEESVSA-N 2 2 248.355 2.005 20 0 BEADLP Cc1ccc(CC[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000639256237 355300679 /nfs/dbraw/zinc/30/06/79/355300679.db2.gz VLETYSCKHUWTOH-UHFFFAOYSA-N 2 2 243.354 2.103 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414796033 191570592 /nfs/dbraw/zinc/57/05/92/191570592.db2.gz BNNKHCQSFDPSPB-UHFFFAOYSA-N 2 2 236.290 2.399 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414822681 191584139 /nfs/dbraw/zinc/58/41/39/191584139.db2.gz FEYGTQXOWFZJDG-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)CCC[NH3+])c[nH+]1 ZINC000415020089 191654031 /nfs/dbraw/zinc/65/40/31/191654031.db2.gz IXUUYRFNJBBLLJ-LBPRGKRZSA-N 3 2 235.375 2.040 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC1(F)F ZINC000639304770 355659673 /nfs/dbraw/zinc/65/96/73/355659673.db2.gz BEKDBALOAPBNNL-HBNTYKKESA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC1(F)F ZINC000639304770 355659675 /nfs/dbraw/zinc/65/96/75/355659675.db2.gz BEKDBALOAPBNNL-HBNTYKKESA-N 2 2 246.345 2.493 20 0 BEADLP CC[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639304749 355659972 /nfs/dbraw/zinc/65/99/72/355659972.db2.gz AZHLVXCJBYHCBA-OCCSQVGLSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@](C)(C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639304749 355659976 /nfs/dbraw/zinc/65/99/76/355659976.db2.gz AZHLVXCJBYHCBA-OCCSQVGLSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639329107 355739906 /nfs/dbraw/zinc/73/99/06/355739906.db2.gz FXGMGGFVMTWNFF-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639329107 355739908 /nfs/dbraw/zinc/73/99/08/355739908.db2.gz FXGMGGFVMTWNFF-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC1(C)C ZINC000353249228 355767779 /nfs/dbraw/zinc/76/77/79/355767779.db2.gz MOWNBHACBAAGBM-HBNTYKKESA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC1(C)C ZINC000353249228 355767782 /nfs/dbraw/zinc/76/77/82/355767782.db2.gz MOWNBHACBAAGBM-HBNTYKKESA-N 2 2 233.359 2.291 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000389148881 355731258 /nfs/dbraw/zinc/73/12/58/355731258.db2.gz IWRKHFTZSLUZMB-CYBMUJFWSA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000389148881 355731260 /nfs/dbraw/zinc/73/12/60/355731260.db2.gz IWRKHFTZSLUZMB-CYBMUJFWSA-N 2 2 240.297 2.149 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CC3CCC3)C2)c[nH+]1 ZINC000608495308 355820301 /nfs/dbraw/zinc/82/03/01/355820301.db2.gz OGJIXKPJEXQYRI-ZDUSSCGKSA-N 2 2 219.332 2.320 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CC3CCC3)C2)c[nH+]1 ZINC000608495308 355820303 /nfs/dbraw/zinc/82/03/03/355820303.db2.gz OGJIXKPJEXQYRI-ZDUSSCGKSA-N 2 2 219.332 2.320 20 0 BEADLP COc1cccc(C2CC[NH+](C[C@H](C)[NH3+])CC2)c1 ZINC000442664078 191903778 /nfs/dbraw/zinc/90/37/78/191903778.db2.gz LKEVJRPNSGDDCG-LBPRGKRZSA-N 2 2 248.370 2.222 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639398487 356118137 /nfs/dbraw/zinc/11/81/37/356118137.db2.gz PYHYJEOWEVWSLP-HNNXBMFYSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639398487 356118141 /nfs/dbraw/zinc/11/81/41/356118141.db2.gz PYHYJEOWEVWSLP-HNNXBMFYSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+](Cc1ccsc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639400190 356137265 /nfs/dbraw/zinc/13/72/65/356137265.db2.gz YPVJIWVEJAYBGJ-CYBMUJFWSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+](Cc1ccsc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639400190 356137272 /nfs/dbraw/zinc/13/72/72/356137272.db2.gz YPVJIWVEJAYBGJ-CYBMUJFWSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+](Cc1ccsc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639400191 356137608 /nfs/dbraw/zinc/13/76/08/356137608.db2.gz YPVJIWVEJAYBGJ-ZDUSSCGKSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+](Cc1ccsc1)[C@H]1C[NH+]2CCC1CC2 ZINC000639400191 356137614 /nfs/dbraw/zinc/13/76/14/356137614.db2.gz YPVJIWVEJAYBGJ-ZDUSSCGKSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH2+]C[C@@H](C)CNc1[nH+]ccc(C)c1Cl ZINC000420217897 192193826 /nfs/dbraw/zinc/19/38/26/192193826.db2.gz XUAXTHVIGRQXNU-MRVPVSSYSA-N 2 2 227.739 2.311 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000420296609 192205436 /nfs/dbraw/zinc/20/54/36/192205436.db2.gz XGDQQYVSBFRTGY-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000420296609 192205439 /nfs/dbraw/zinc/20/54/39/192205439.db2.gz XGDQQYVSBFRTGY-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000639482026 356296792 /nfs/dbraw/zinc/29/67/92/356296792.db2.gz GRKCAGLAIWXCDH-CYBMUJFWSA-N 2 2 234.343 2.228 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000639482026 356296794 /nfs/dbraw/zinc/29/67/94/356296794.db2.gz GRKCAGLAIWXCDH-CYBMUJFWSA-N 2 2 234.343 2.228 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000420316582 192213094 /nfs/dbraw/zinc/21/30/94/192213094.db2.gz MOTONUXDQMCROX-YPMHNXCESA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000420316582 192213097 /nfs/dbraw/zinc/21/30/97/192213097.db2.gz MOTONUXDQMCROX-YPMHNXCESA-N 2 2 210.365 2.378 20 0 BEADLP Fc1cccc(CCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420330154 192215232 /nfs/dbraw/zinc/21/52/32/192215232.db2.gz AFLNLXZQRZNBCE-HIFRSBDPSA-N 2 2 248.345 2.052 20 0 BEADLP Fc1cccc(CCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420330154 192215233 /nfs/dbraw/zinc/21/52/33/192215233.db2.gz AFLNLXZQRZNBCE-HIFRSBDPSA-N 2 2 248.345 2.052 20 0 BEADLP CCc1ccc(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420344779 192216494 /nfs/dbraw/zinc/21/64/94/192216494.db2.gz UPGVSMYZCSOHLR-CVEARBPZSA-N 2 2 244.382 2.085 20 0 BEADLP CCc1ccc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420344779 192216496 /nfs/dbraw/zinc/21/64/96/192216496.db2.gz UPGVSMYZCSOHLR-CVEARBPZSA-N 2 2 244.382 2.085 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000420351786 192217491 /nfs/dbraw/zinc/21/74/91/192217491.db2.gz KXIOIUWMWHQRCV-HERUPUMHSA-N 2 2 234.318 2.235 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC000420351786 192217494 /nfs/dbraw/zinc/21/74/94/192217494.db2.gz KXIOIUWMWHQRCV-HERUPUMHSA-N 2 2 234.318 2.235 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000639514292 356347515 /nfs/dbraw/zinc/34/75/15/356347515.db2.gz MZUSPOVCNTUTDL-WCQYABFASA-N 2 2 249.358 2.014 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000420299399 192207953 /nfs/dbraw/zinc/20/79/53/192207953.db2.gz TZJPATOPXFWZPK-ZDUSSCGKSA-N 2 2 238.400 2.494 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCCc1ccsc1 ZINC000420299399 192207956 /nfs/dbraw/zinc/20/79/56/192207956.db2.gz TZJPATOPXFWZPK-ZDUSSCGKSA-N 2 2 238.400 2.494 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@H]([NH2+]C)C2)c1 ZINC000420304530 192208969 /nfs/dbraw/zinc/20/89/69/192208969.db2.gz YCVBSWBEAKOPQT-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@H]([NH2+]C)C2)c1 ZINC000420304530 192208973 /nfs/dbraw/zinc/20/89/73/192208973.db2.gz YCVBSWBEAKOPQT-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)CCOC)C1CCCC1 ZINC000395683532 356375959 /nfs/dbraw/zinc/37/59/59/356375959.db2.gz OWZOBQZJHDYVLR-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)CCOC)C1CCCC1 ZINC000395683532 356375962 /nfs/dbraw/zinc/37/59/62/356375962.db2.gz OWZOBQZJHDYVLR-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000420322137 192227471 /nfs/dbraw/zinc/22/74/71/192227471.db2.gz SCAFHXUNZKETAJ-CXQJBGSLSA-N 2 2 210.365 2.377 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000420322137 192227473 /nfs/dbraw/zinc/22/74/73/192227473.db2.gz SCAFHXUNZKETAJ-CXQJBGSLSA-N 2 2 210.365 2.377 20 0 BEADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000639532159 356381764 /nfs/dbraw/zinc/38/17/64/356381764.db2.gz BIMFKAYCJCBTOX-RWMBFGLXSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000639532159 356381765 /nfs/dbraw/zinc/38/17/65/356381765.db2.gz BIMFKAYCJCBTOX-RWMBFGLXSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1F ZINC000420360056 192221873 /nfs/dbraw/zinc/22/18/73/192221873.db2.gz GTWZOGWMYPBIRA-JTNHKYCSSA-N 2 2 236.334 2.302 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000420382163 192234673 /nfs/dbraw/zinc/23/46/73/192234673.db2.gz YMJBLUHRYOVLKR-QWRGUYRKSA-N 2 2 222.332 2.083 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000420382162 192234806 /nfs/dbraw/zinc/23/48/06/192234806.db2.gz YMJBLUHRYOVLKR-MNOVXSKESA-N 2 2 222.332 2.083 20 0 BEADLP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420388338 192235205 /nfs/dbraw/zinc/23/52/05/192235205.db2.gz WRMHGBGBDTXNSA-FZQKWOKYSA-N 2 2 234.318 2.092 20 0 BEADLP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420388338 192235208 /nfs/dbraw/zinc/23/52/08/192235208.db2.gz WRMHGBGBDTXNSA-FZQKWOKYSA-N 2 2 234.318 2.092 20 0 BEADLP C[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1[NH3+] ZINC000420381680 192235481 /nfs/dbraw/zinc/23/54/81/192235481.db2.gz SAJRZLPXYHPXKL-TZMCWYRMSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1[NH3+] ZINC000420381680 192235483 /nfs/dbraw/zinc/23/54/83/192235483.db2.gz SAJRZLPXYHPXKL-TZMCWYRMSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449781955 202035215 /nfs/dbraw/zinc/03/52/15/202035215.db2.gz JTEGNZFRWWTBCI-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449781955 202035216 /nfs/dbraw/zinc/03/52/16/202035216.db2.gz JTEGNZFRWWTBCI-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179683953 366285477 /nfs/dbraw/zinc/28/54/77/366285477.db2.gz XALVIFKPJUHSTC-UHFFFAOYSA-N 2 2 215.300 2.319 20 0 BEADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179683953 366285488 /nfs/dbraw/zinc/28/54/88/366285488.db2.gz XALVIFKPJUHSTC-UHFFFAOYSA-N 2 2 215.300 2.319 20 0 BEADLP Cc1[nH+]ccn1C[C@H]1CCCC[N@H+]1C(C)C ZINC000336194071 134125113 /nfs/dbraw/zinc/12/51/13/134125113.db2.gz QYCMKNLDGYBLLZ-CYBMUJFWSA-N 2 2 221.348 2.454 20 0 BEADLP Cc1[nH+]ccn1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000336194071 134125114 /nfs/dbraw/zinc/12/51/14/134125114.db2.gz QYCMKNLDGYBLLZ-CYBMUJFWSA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@@H](CO)[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639659621 356567991 /nfs/dbraw/zinc/56/79/91/356567991.db2.gz NRKCVCLZRQCZQM-ZDUSSCGKSA-N 2 2 236.359 2.210 20 0 BEADLP CC[C@@H](CO)[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639659621 356567995 /nfs/dbraw/zinc/56/79/95/356567995.db2.gz NRKCVCLZRQCZQM-ZDUSSCGKSA-N 2 2 236.359 2.210 20 0 BEADLP CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000422965472 192529406 /nfs/dbraw/zinc/52/94/06/192529406.db2.gz OTPRGTVAFWKSEK-OBJOEFQTSA-N 3 2 243.439 2.068 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000389500965 356695523 /nfs/dbraw/zinc/69/55/23/356695523.db2.gz CAWKTZOCPRACQF-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000389500965 356695528 /nfs/dbraw/zinc/69/55/28/356695528.db2.gz CAWKTZOCPRACQF-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623364705 356826768 /nfs/dbraw/zinc/82/67/68/356826768.db2.gz OOXVVFGGLVDCPP-CYBMUJFWSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623364705 356826771 /nfs/dbraw/zinc/82/67/71/356826771.db2.gz OOXVVFGGLVDCPP-CYBMUJFWSA-N 2 2 247.386 2.352 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000155700081 538728147 /nfs/dbraw/zinc/72/81/47/538728147.db2.gz PJZLUYOVZGUKPO-CQSZACIVSA-N 2 2 245.301 2.299 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000155700210 538728268 /nfs/dbraw/zinc/72/82/68/538728268.db2.gz PJZLUYOVZGUKPO-AWEZNQCLSA-N 2 2 245.301 2.299 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000361132802 356918203 /nfs/dbraw/zinc/91/82/03/356918203.db2.gz SCQJTDJAHZERFZ-GFCCVEGCSA-N 2 2 244.342 2.191 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](COC)CC(C)C ZINC000359597218 356891571 /nfs/dbraw/zinc/89/15/71/356891571.db2.gz QYCOUIZMYWBMTD-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](COC)CC(C)C ZINC000359597218 356891575 /nfs/dbraw/zinc/89/15/75/356891575.db2.gz QYCOUIZMYWBMTD-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]CC[NH3+])c1cccc(Cl)c1F ZINC000423177053 192610505 /nfs/dbraw/zinc/61/05/05/192610505.db2.gz DOXSXDJAUBATKR-JTQLQIEISA-N 2 2 230.714 2.479 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423200478 192624684 /nfs/dbraw/zinc/62/46/84/192624684.db2.gz FUDANIPTPOKGCD-TZMCWYRMSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cscn1 ZINC000582295469 357028697 /nfs/dbraw/zinc/02/86/97/357028697.db2.gz PWRUYTASSBLUSC-JTQLQIEISA-N 2 2 239.388 2.455 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1C[NH2+]C1 ZINC000582295551 357029058 /nfs/dbraw/zinc/02/90/58/357029058.db2.gz YIAJWKAVXYHMRH-BREBYQMCSA-N 2 2 234.343 2.101 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423212516 192630582 /nfs/dbraw/zinc/63/05/82/192630582.db2.gz JRZZTOXQPXNDGK-STQMWFEESA-N 2 2 222.307 2.228 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000423240496 192647630 /nfs/dbraw/zinc/64/76/30/192647630.db2.gz HEOLFBDGABDPQP-LBPRGKRZSA-N 2 2 206.333 2.255 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC3CCC2CC3)n1C ZINC000583704258 357283230 /nfs/dbraw/zinc/28/32/30/357283230.db2.gz ASLORWWXXPWUQM-ORHYLEIMSA-N 2 2 233.359 2.397 20 0 BEADLP Cc1c[nH+]c(C)nc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000583703759 357283527 /nfs/dbraw/zinc/28/35/27/357283527.db2.gz IVUKPUZRHOIKLQ-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccoc1 ZINC000582720482 357370877 /nfs/dbraw/zinc/37/08/77/357370877.db2.gz PEWAWOKZFVCKPH-YUSALJHKSA-N 2 2 208.305 2.200 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157628557 538833578 /nfs/dbraw/zinc/83/35/78/538833578.db2.gz IQSAQDPZYMVFKO-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157628557 538833582 /nfs/dbraw/zinc/83/35/82/538833582.db2.gz IQSAQDPZYMVFKO-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH2+]CC[N@H+](C)CCC1CCCCCC1 ZINC000168418839 134198329 /nfs/dbraw/zinc/19/83/29/134198329.db2.gz JZZKFKLPHNMEML-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCC1CCCCCC1 ZINC000168418839 134198330 /nfs/dbraw/zinc/19/83/30/134198330.db2.gz JZZKFKLPHNMEML-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157658223 538832860 /nfs/dbraw/zinc/83/28/60/538832860.db2.gz HYZNNXXAGULHTO-WCQYABFASA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157658223 538832865 /nfs/dbraw/zinc/83/28/65/538832865.db2.gz HYZNNXXAGULHTO-WCQYABFASA-N 2 2 210.365 2.105 20 0 BEADLP CCC(C)(CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230953239 357586146 /nfs/dbraw/zinc/58/61/46/357586146.db2.gz WFLDHNBWYYXIOA-UHFFFAOYSA-N 2 2 238.379 2.154 20 0 BEADLP CC(C)C1CC([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000232537663 357670049 /nfs/dbraw/zinc/67/00/49/357670049.db2.gz IAFUNVJBTKTJDS-HIFPTAJRSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C1CC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000232537663 357670053 /nfs/dbraw/zinc/67/00/53/357670053.db2.gz IAFUNVJBTKTJDS-HIFPTAJRSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(C(F)(F)F)CC2)n1C ZINC000584421780 357918613 /nfs/dbraw/zinc/91/86/13/357918613.db2.gz CXYWVTASLAMPBN-UHFFFAOYSA-N 2 2 247.264 2.161 20 0 BEADLP COc1ccc(C)[nH+]c1NCc1c[nH+]c(C)n1C ZINC000584480495 357996637 /nfs/dbraw/zinc/99/66/37/357996637.db2.gz DOWNFXCTXWLWMX-UHFFFAOYSA-N 2 2 246.314 2.053 20 0 BEADLP C/C=C\C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000628460178 358088205 /nfs/dbraw/zinc/08/82/05/358088205.db2.gz KSUUOQJXENXGIE-ARJAWSKDSA-N 2 2 204.317 2.488 20 0 BEADLP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538701 491127329 /nfs/dbraw/zinc/12/73/29/491127329.db2.gz AJAZHAXIQWLOSX-ZFWWWQNUSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538701 491127330 /nfs/dbraw/zinc/12/73/30/491127330.db2.gz AJAZHAXIQWLOSX-ZFWWWQNUSA-N 2 2 236.403 2.472 20 0 BEADLP C[N@H+](CCC1CCCCC1)CC1C[NH+](C)C1 ZINC000668539570 491127521 /nfs/dbraw/zinc/12/75/21/491127521.db2.gz DEEMNZCNMVOEDJ-UHFFFAOYSA-N 2 2 224.392 2.450 20 0 BEADLP C[N@@H+](CCC1CCCCC1)CC1C[NH+](C)C1 ZINC000668539570 491127522 /nfs/dbraw/zinc/12/75/22/491127522.db2.gz DEEMNZCNMVOEDJ-UHFFFAOYSA-N 2 2 224.392 2.450 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)s1 ZINC000042390283 358347301 /nfs/dbraw/zinc/34/73/01/358347301.db2.gz RMEXIXKLJQLVKO-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)s1 ZINC000042390283 358347304 /nfs/dbraw/zinc/34/73/04/358347304.db2.gz RMEXIXKLJQLVKO-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327582 358373134 /nfs/dbraw/zinc/37/31/34/358373134.db2.gz IJFOZXOIMATKEW-CMPLNLGQSA-N 2 2 224.373 2.021 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000131926658 358701431 /nfs/dbraw/zinc/70/14/31/358701431.db2.gz XWBIGEKAHUASBL-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133422818 358754122 /nfs/dbraw/zinc/75/41/22/358754122.db2.gz AMTQYTNSLAVMFY-MELADBBJSA-N 2 2 242.407 2.168 20 0 BEADLP Cc1cccc(CC[NH2+]CCCn2cc[nH+]c2)c1 ZINC000051669682 358757008 /nfs/dbraw/zinc/75/70/08/358757008.db2.gz ACPHFIBXQGOZOD-UHFFFAOYSA-N 2 2 243.354 2.414 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC1 ZINC000132795633 358736123 /nfs/dbraw/zinc/73/61/23/358736123.db2.gz MOPCFMKQGJCNNG-WFASDCNBSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC1 ZINC000132795633 358736125 /nfs/dbraw/zinc/73/61/25/358736125.db2.gz MOPCFMKQGJCNNG-WFASDCNBSA-N 2 2 245.370 2.044 20 0 BEADLP CCSCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134769112 358805212 /nfs/dbraw/zinc/80/52/12/358805212.db2.gz YZAPPXJTYSXZJR-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CCSCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134769112 358805215 /nfs/dbraw/zinc/80/52/15/358805215.db2.gz YZAPPXJTYSXZJR-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000054078011 358850720 /nfs/dbraw/zinc/85/07/20/358850720.db2.gz DLJZGNMXWVKUJO-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCCC1 ZINC000054080306 358850954 /nfs/dbraw/zinc/85/09/54/358850954.db2.gz UTVMPLGUHBBLFW-RYUDHWBXSA-N 2 2 221.348 2.440 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)CCO1 ZINC000070361412 359050861 /nfs/dbraw/zinc/05/08/61/359050861.db2.gz XLRTYNHYSUFBOV-KBPBESRZSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CCO1 ZINC000070361412 359050866 /nfs/dbraw/zinc/05/08/66/359050866.db2.gz XLRTYNHYSUFBOV-KBPBESRZSA-N 2 2 242.407 2.120 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143854 359042848 /nfs/dbraw/zinc/04/28/48/359042848.db2.gz ZAVMUHHKXVUGGO-MNOVXSKESA-N 2 2 238.379 2.010 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143856 359043520 /nfs/dbraw/zinc/04/35/20/359043520.db2.gz ZAVMUHHKXVUGGO-QWRGUYRKSA-N 2 2 238.379 2.010 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1C ZINC000070233847 359045539 /nfs/dbraw/zinc/04/55/39/359045539.db2.gz HJAQWHNVCZMRFB-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC000070345997 359050740 /nfs/dbraw/zinc/05/07/40/359050740.db2.gz UVBQSFXVXNPXKI-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)cc(F)c1 ZINC000423331368 192711246 /nfs/dbraw/zinc/71/12/46/192711246.db2.gz QCWUIHNVAITEIL-VIFPVBQESA-N 2 2 240.297 2.497 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000247010441 359182994 /nfs/dbraw/zinc/18/29/94/359182994.db2.gz LDUAGECVTIAWCW-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000247010441 359182997 /nfs/dbraw/zinc/18/29/97/359182997.db2.gz LDUAGECVTIAWCW-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP Clc1sccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308875062 491139368 /nfs/dbraw/zinc/13/93/68/491139368.db2.gz MYJNHTAQCYUGKC-UWVGGRQHSA-N 2 2 242.775 2.053 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247630819 359237541 /nfs/dbraw/zinc/23/75/41/359237541.db2.gz NUKVLELIUDTMDW-QWHCGFSZSA-N 2 2 221.348 2.422 20 0 BEADLP CC(C)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247630819 359237543 /nfs/dbraw/zinc/23/75/43/359237543.db2.gz NUKVLELIUDTMDW-QWHCGFSZSA-N 2 2 221.348 2.422 20 0 BEADLP COCCC[C@H](C)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423407288 192745643 /nfs/dbraw/zinc/74/56/43/192745643.db2.gz ZQWVOQQUYBGRGU-LBPRGKRZSA-N 2 2 248.370 2.195 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CS1 ZINC000628477067 359312887 /nfs/dbraw/zinc/31/28/87/359312887.db2.gz FULCXHXQEXTKEM-FRRDWIJNSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CS1 ZINC000628477067 359312891 /nfs/dbraw/zinc/31/28/91/359312891.db2.gz FULCXHXQEXTKEM-FRRDWIJNSA-N 2 2 242.432 2.200 20 0 BEADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cnn1C(C)C ZINC000423466850 192782421 /nfs/dbraw/zinc/78/24/21/192782421.db2.gz NRGXVEIYVXDBAH-VWYCJHECSA-N 2 2 238.379 2.159 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000308973655 491141678 /nfs/dbraw/zinc/14/16/78/491141678.db2.gz AOHXAYKMCCXUSD-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000578533511 366593706 /nfs/dbraw/zinc/59/37/06/366593706.db2.gz PXJVURIHXWJKML-OCCSQVGLSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1csc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000087393686 359911065 /nfs/dbraw/zinc/91/10/65/359911065.db2.gz FDIOSRMYTSBQJX-GHMZBOCLSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1csc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000087393686 359911069 /nfs/dbraw/zinc/91/10/69/359911069.db2.gz FDIOSRMYTSBQJX-GHMZBOCLSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1[nH]c(CNc2ccc(C)c[nH+]2)[nH+]c1C ZINC000578767156 366645188 /nfs/dbraw/zinc/64/51/88/366645188.db2.gz PGJUOKYSUOSDFC-UHFFFAOYSA-N 2 2 216.288 2.342 20 0 BEADLP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720572 360085449 /nfs/dbraw/zinc/08/54/49/360085449.db2.gz INFGCEQHCQIXNO-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720572 360085452 /nfs/dbraw/zinc/08/54/52/360085452.db2.gz INFGCEQHCQIXNO-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000226017019 360518733 /nfs/dbraw/zinc/51/87/33/360518733.db2.gz WYEIWLSRMYLTKX-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000226017019 360518741 /nfs/dbraw/zinc/51/87/41/360518741.db2.gz WYEIWLSRMYLTKX-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP c1cnc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000631562443 360987553 /nfs/dbraw/zinc/98/75/53/360987553.db2.gz FJZIZEWXAHBBSA-HNNXBMFYSA-N 2 2 245.370 2.144 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000629389298 361036426 /nfs/dbraw/zinc/03/64/26/361036426.db2.gz VVUSMMPMIGFJNU-JKSUJKDBSA-N 2 2 244.382 2.405 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629394839 361043748 /nfs/dbraw/zinc/04/37/48/361043748.db2.gz MNFSCLCHEPUABT-TZMCWYRMSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[NH2+]1 ZINC000629396187 361043981 /nfs/dbraw/zinc/04/39/81/361043981.db2.gz JPRBFUOMCBMSCR-NOZJJQNGSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396678 361044031 /nfs/dbraw/zinc/04/40/31/361044031.db2.gz NWWRGJYPFUYUCY-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000629390545 361044843 /nfs/dbraw/zinc/04/48/43/361044843.db2.gz SFZBICLMTIRRTA-LSDHHAIUSA-N 2 2 248.370 2.315 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)c(F)c1 ZINC000629390964 361045690 /nfs/dbraw/zinc/04/56/90/361045690.db2.gz PVSCOEXDISSHAZ-UONOGXRCSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000629391020 361046093 /nfs/dbraw/zinc/04/60/93/361046093.db2.gz RQNYXYSLUWMWKZ-QWHCGFSZSA-N 2 2 222.307 2.056 20 0 BEADLP CSc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629406664 361057060 /nfs/dbraw/zinc/05/70/60/361057060.db2.gz TZWVERGFXRQMNL-GXFFZTMASA-N 2 2 236.384 2.249 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000629406089 361053726 /nfs/dbraw/zinc/05/37/26/361053726.db2.gz NQFBMPGQAHYRHJ-BZDIYLISSA-N 2 2 216.328 2.040 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629406065 361053798 /nfs/dbraw/zinc/05/37/98/361053798.db2.gz IHBJXYBZVKZETA-GXTWGEPZSA-N 2 2 218.344 2.143 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000629405713 361053831 /nfs/dbraw/zinc/05/38/31/361053831.db2.gz DXQRFCCUNZBULQ-GXTWGEPZSA-N 2 2 218.344 2.143 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000629509818 361104635 /nfs/dbraw/zinc/10/46/35/361104635.db2.gz LFGYUXCGIPBGPI-LLVKDONJSA-N 2 2 235.375 2.292 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000629509818 361104640 /nfs/dbraw/zinc/10/46/40/361104640.db2.gz LFGYUXCGIPBGPI-LLVKDONJSA-N 2 2 235.375 2.292 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000629527252 361129433 /nfs/dbraw/zinc/12/94/33/361129433.db2.gz PNIASCXWRVOVRE-YNEHKIRRSA-N 2 2 234.343 2.387 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000629527085 361132459 /nfs/dbraw/zinc/13/24/59/361132459.db2.gz JTASGKGFAONTAP-AEGPPILISA-N 2 2 247.386 2.490 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C)nc1C ZINC000629527086 361132492 /nfs/dbraw/zinc/13/24/92/361132492.db2.gz JTASGKGFAONTAP-VHDGCEQUSA-N 2 2 247.386 2.490 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1 ZINC000629523906 361121612 /nfs/dbraw/zinc/12/16/12/361121612.db2.gz LILFKAMMOJGNCM-BYCMXARLSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000309715884 491154828 /nfs/dbraw/zinc/15/48/28/491154828.db2.gz YULUYGFHMSUCIU-FPMFFAJLSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000309715884 491154829 /nfs/dbraw/zinc/15/48/29/491154829.db2.gz YULUYGFHMSUCIU-FPMFFAJLSA-N 2 2 222.376 2.247 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000158512970 361199845 /nfs/dbraw/zinc/19/98/45/361199845.db2.gz GCZMZLCWKREGCD-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000158512970 361199849 /nfs/dbraw/zinc/19/98/49/361199849.db2.gz GCZMZLCWKREGCD-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1csc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)n1 ZINC000309724346 491155052 /nfs/dbraw/zinc/15/50/52/491155052.db2.gz CRJPAKMKFRPIGB-GXSJLCMTSA-N 2 2 241.404 2.442 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)n1 ZINC000309724347 491155070 /nfs/dbraw/zinc/15/50/70/491155070.db2.gz CRJPAKMKFRPIGB-KOLCDFICSA-N 2 2 241.404 2.442 20 0 BEADLP CCn1cc[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424726171 200955136 /nfs/dbraw/zinc/95/51/36/200955136.db2.gz TVWPRSRBNDWOEL-UHFFFAOYSA-N 2 2 233.319 2.293 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccncc1 ZINC000629537717 361401506 /nfs/dbraw/zinc/40/15/06/361401506.db2.gz IHSTUOWKXDZLAB-BNOWGMLFSA-N 2 2 233.359 2.263 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)C[NH2+]1 ZINC000629540967 361415555 /nfs/dbraw/zinc/41/55/55/361415555.db2.gz QBSRQLNCHALRDO-XBFCOCLRSA-N 2 2 245.370 2.189 20 0 BEADLP CC[C@H]1CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430195870 201150748 /nfs/dbraw/zinc/15/07/48/201150748.db2.gz PANNLVJIQDXJGT-JTQLQIEISA-N 2 2 239.388 2.189 20 0 BEADLP CC[C@H]1CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430195870 201150751 /nfs/dbraw/zinc/15/07/51/201150751.db2.gz PANNLVJIQDXJGT-JTQLQIEISA-N 2 2 239.388 2.189 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629543134 361421319 /nfs/dbraw/zinc/42/13/19/361421319.db2.gz UIIMYZKAOHWGLA-FRRDWIJNSA-N 2 2 233.359 2.181 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544370 361423704 /nfs/dbraw/zinc/42/37/04/361423704.db2.gz LBQBLVLXKFGXRX-IVZWLZJFSA-N 2 2 240.372 2.158 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2c(c1)COC2 ZINC000629545148 361424686 /nfs/dbraw/zinc/42/46/86/361424686.db2.gz ACKCLKJFDQPFLW-ZIBATOQPSA-N 2 2 246.354 2.118 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545153 361425606 /nfs/dbraw/zinc/42/56/06/361425606.db2.gz AHGLUWOEYSAKBY-BAESOJJISA-N 2 2 230.355 2.260 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545643 361426417 /nfs/dbraw/zinc/42/64/17/361426417.db2.gz NWICSDLHQAUOHI-UHIISALHSA-N 2 2 234.343 2.096 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000629545536 361426596 /nfs/dbraw/zinc/42/65/96/361426596.db2.gz LEYHPLLHRPXCIF-SLEUVZQESA-N 2 2 248.370 2.405 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000629547020 361430674 /nfs/dbraw/zinc/43/06/74/361430674.db2.gz DUDKOLDEKKRPOG-ATZCPNFKSA-N 2 2 210.346 2.149 20 0 BEADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629547736 361431433 /nfs/dbraw/zinc/43/14/33/361431433.db2.gz KELFTMLKRFKSGZ-OVYXKVPISA-N 2 2 239.388 2.161 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629549429 361432879 /nfs/dbraw/zinc/43/28/79/361432879.db2.gz VMDQGXMTTUQLNA-SGMGOOAPSA-N 2 2 248.370 2.405 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430038402 201138327 /nfs/dbraw/zinc/13/83/27/201138327.db2.gz BFSCAGOYNMVDOK-QJPTWQEYSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430038402 201138330 /nfs/dbraw/zinc/13/83/30/201138330.db2.gz BFSCAGOYNMVDOK-QJPTWQEYSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430038412 201139190 /nfs/dbraw/zinc/13/91/90/201139190.db2.gz BFSCAGOYNMVDOK-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430038412 201139192 /nfs/dbraw/zinc/13/91/92/201139192.db2.gz BFSCAGOYNMVDOK-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H](C)C2 ZINC000629553379 361439087 /nfs/dbraw/zinc/43/90/87/361439087.db2.gz XXYSCTSIHRJKPU-LNSITVRQSA-N 2 2 230.355 2.180 20 0 BEADLP COc1cccc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629580905 361471656 /nfs/dbraw/zinc/47/16/56/361471656.db2.gz YCPXODGWOVAGKT-LBPRGKRZSA-N 2 2 246.354 2.010 20 0 BEADLP COc1cccc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000629580905 361471658 /nfs/dbraw/zinc/47/16/58/361471658.db2.gz YCPXODGWOVAGKT-LBPRGKRZSA-N 2 2 246.354 2.010 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(COC)o1 ZINC000629647637 361537568 /nfs/dbraw/zinc/53/75/68/361537568.db2.gz CMZXJOYRZICTGG-LLVKDONJSA-N 2 2 240.347 2.033 20 0 BEADLP COc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1C ZINC000629659961 361564808 /nfs/dbraw/zinc/56/48/08/361564808.db2.gz KUFQNIVEWMTNFX-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP C[NH2+]c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000629652650 361551583 /nfs/dbraw/zinc/55/15/83/361551583.db2.gz BBYPGJFHFFMPNJ-GWCFXTLKSA-N 2 2 219.332 2.410 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2c(O)cccc2C1 ZINC000629667410 361588279 /nfs/dbraw/zinc/58/82/79/361588279.db2.gz UONKXWOLCMDDEC-ZDUSSCGKSA-N 2 2 248.370 2.124 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2c(O)cccc2C1 ZINC000629667410 361588283 /nfs/dbraw/zinc/58/82/83/361588283.db2.gz UONKXWOLCMDDEC-ZDUSSCGKSA-N 2 2 248.370 2.124 20 0 BEADLP Cc1[nH+]ccn1Cc1[nH+]ccn1-c1ccccc1 ZINC000434648214 201232812 /nfs/dbraw/zinc/23/28/12/201232812.db2.gz ZUZWDSOBCKBCFL-UHFFFAOYSA-N 2 2 238.294 2.426 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786395 201288402 /nfs/dbraw/zinc/28/84/02/201288402.db2.gz HXNHMPFYZBTMAT-QCEMKRCNSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786395 201288404 /nfs/dbraw/zinc/28/84/04/201288404.db2.gz HXNHMPFYZBTMAT-QCEMKRCNSA-N 2 2 244.382 2.472 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000435880539 201291547 /nfs/dbraw/zinc/29/15/47/201291547.db2.gz PMMXPISIFUKZLC-HIFRSBDPSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000435880539 201291548 /nfs/dbraw/zinc/29/15/48/201291548.db2.gz PMMXPISIFUKZLC-HIFRSBDPSA-N 2 2 248.370 2.058 20 0 BEADLP CC[C@](C)([NH2+]CCC[NH2+]C)c1nc(C)cs1 ZINC000435885245 201294997 /nfs/dbraw/zinc/29/49/97/201294997.db2.gz HNPGMSDISHWGAO-LBPRGKRZSA-N 2 2 241.404 2.276 20 0 BEADLP CC(C)(C)C1CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000436468739 201327795 /nfs/dbraw/zinc/32/77/95/201327795.db2.gz GCGZLTLDYQHGKE-UHFFFAOYSA-N 2 2 221.348 2.297 20 0 BEADLP [NH3+]CCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000437775038 201371764 /nfs/dbraw/zinc/37/17/64/201371764.db2.gz MPRZUUGUSSEYDV-GFCCVEGCSA-N 2 2 242.313 2.191 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[NH2+]1 ZINC000398968326 364377020 /nfs/dbraw/zinc/37/70/20/364377020.db2.gz SYKISTVYULVPOF-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000398964582 364379357 /nfs/dbraw/zinc/37/93/57/364379357.db2.gz PPRXCIIUNWHWHN-DYEKYZERSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C(C)(C)C ZINC000308548047 541353718 /nfs/dbraw/zinc/35/37/18/541353718.db2.gz OSJOSSCWLKAZGY-QWRGUYRKSA-N 2 2 200.370 2.208 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000246888904 364614029 /nfs/dbraw/zinc/61/40/29/364614029.db2.gz HBVUSVTYCCSFFV-AAEUAGOBSA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000246888904 364614032 /nfs/dbraw/zinc/61/40/32/364614032.db2.gz HBVUSVTYCCSFFV-AAEUAGOBSA-N 2 2 222.332 2.100 20 0 BEADLP COc1cc[nH+]cc1Cn1c[nH+]c2c1CCCC2 ZINC000296843700 364787179 /nfs/dbraw/zinc/78/71/79/364787179.db2.gz SUFNRNBCIOEKQL-UHFFFAOYSA-N 2 2 243.310 2.214 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414950418 541408667 /nfs/dbraw/zinc/40/86/67/541408667.db2.gz HQECRLNWUOYSKE-LBPRGKRZSA-N 2 2 248.370 2.445 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000335005426 541419379 /nfs/dbraw/zinc/41/93/79/541419379.db2.gz AWWCSAWEADXJJL-OCCSQVGLSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000335005426 541419387 /nfs/dbraw/zinc/41/93/87/541419387.db2.gz AWWCSAWEADXJJL-OCCSQVGLSA-N 2 2 249.358 2.120 20 0 BEADLP COC[C@@H](C)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000574024514 364969756 /nfs/dbraw/zinc/96/97/56/364969756.db2.gz YAYHPUDLXANMDD-ZDUSSCGKSA-N 2 2 242.407 2.075 20 0 BEADLP COC[C@@H](C)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000574024514 364969762 /nfs/dbraw/zinc/96/97/62/364969762.db2.gz YAYHPUDLXANMDD-ZDUSSCGKSA-N 2 2 242.407 2.075 20 0 BEADLP [NH3+]CCCc1[nH]c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000062152851 181387019 /nfs/dbraw/zinc/38/70/19/181387019.db2.gz WWBIOZUHBMCHIN-UHFFFAOYSA-N 2 2 243.232 2.473 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000574517473 365080779 /nfs/dbraw/zinc/08/07/79/365080779.db2.gz AKHHIMHTVNDYKW-ITGUQSILSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000574517473 365080785 /nfs/dbraw/zinc/08/07/85/365080785.db2.gz AKHHIMHTVNDYKW-ITGUQSILSA-N 2 2 240.391 2.016 20 0 BEADLP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000083046992 181393297 /nfs/dbraw/zinc/39/32/97/181393297.db2.gz XDUUVVVTVJIMBL-LLVKDONJSA-N 2 2 224.735 2.088 20 0 BEADLP [NH3+]CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000083046992 181393300 /nfs/dbraw/zinc/39/33/00/181393300.db2.gz XDUUVVVTVJIMBL-LLVKDONJSA-N 2 2 224.735 2.088 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2cnc(C)cc2C)n1C ZINC000574824230 365155377 /nfs/dbraw/zinc/15/53/77/365155377.db2.gz RGDUJYGSLNWEIN-UHFFFAOYSA-N 2 2 244.342 2.030 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182804272 366944451 /nfs/dbraw/zinc/94/44/51/366944451.db2.gz SOWNTFBEEJNCOW-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182804272 366944457 /nfs/dbraw/zinc/94/44/57/366944457.db2.gz SOWNTFBEEJNCOW-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000579862260 367055197 /nfs/dbraw/zinc/05/51/97/367055197.db2.gz QQUZBDMEPJIRGB-RYUDHWBXSA-N 2 2 233.359 2.498 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccncc2C)CC1 ZINC000580814201 367173995 /nfs/dbraw/zinc/17/39/95/367173995.db2.gz UCTIWHSYURWOBB-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccncc2C)CC1 ZINC000580814201 367174003 /nfs/dbraw/zinc/17/40/03/367174003.db2.gz UCTIWHSYURWOBB-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CCc1cc(NCCc2ccc(C)[nH+]c2)cc[nH+]1 ZINC000580873944 367193448 /nfs/dbraw/zinc/19/34/48/367193448.db2.gz AXFDHQZGCNQQEX-UHFFFAOYSA-N 2 2 241.338 2.424 20 0 BEADLP Cc1[nH+]ccn1Cc1cn2c(cccc2C)[nH+]1 ZINC000194113011 367248615 /nfs/dbraw/zinc/24/86/15/367248615.db2.gz QBSPHWYHQBYSMN-UHFFFAOYSA-N 2 2 226.283 2.196 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000381436306 367403016 /nfs/dbraw/zinc/40/30/16/367403016.db2.gz CSHTUIZTHDCYNN-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000381436306 367403021 /nfs/dbraw/zinc/40/30/21/367403021.db2.gz CSHTUIZTHDCYNN-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C(C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000381276134 367373785 /nfs/dbraw/zinc/37/37/85/367373785.db2.gz XACCLQZFDJKMPB-JSGCOSHPSA-N 2 2 226.408 2.454 20 0 BEADLP CC(C)C(C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000381276134 367373788 /nfs/dbraw/zinc/37/37/88/367373788.db2.gz XACCLQZFDJKMPB-JSGCOSHPSA-N 2 2 226.408 2.454 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000381803405 367459506 /nfs/dbraw/zinc/45/95/06/367459506.db2.gz DYHWMXODDLTLPM-XDQVBPFNSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000381803405 367459510 /nfs/dbraw/zinc/45/95/10/367459510.db2.gz DYHWMXODDLTLPM-XDQVBPFNSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000382476764 367529568 /nfs/dbraw/zinc/52/95/68/367529568.db2.gz HJWHCLHNVVMMTN-MJVIPROJSA-N 2 2 234.343 2.178 20 0 BEADLP COc1cccc([C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000382476764 367529574 /nfs/dbraw/zinc/52/95/74/367529574.db2.gz HJWHCLHNVVMMTN-MJVIPROJSA-N 2 2 234.343 2.178 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000383017167 367586165 /nfs/dbraw/zinc/58/61/65/367586165.db2.gz KJVNBWDUSLQVJT-LLVKDONJSA-N 2 2 248.370 2.179 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000383017167 367586172 /nfs/dbraw/zinc/58/61/72/367586172.db2.gz KJVNBWDUSLQVJT-LLVKDONJSA-N 2 2 248.370 2.179 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000383959894 367663730 /nfs/dbraw/zinc/66/37/30/367663730.db2.gz OOPVPIPTIJXFPQ-JSGCOSHPSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000383959894 367663736 /nfs/dbraw/zinc/66/37/36/367663736.db2.gz OOPVPIPTIJXFPQ-JSGCOSHPSA-N 2 2 235.375 2.448 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000384733432 367723168 /nfs/dbraw/zinc/72/31/68/367723168.db2.gz BNSSSCZNHZZZDB-XLMCQVRKSA-N 2 2 208.349 2.167 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000384733432 367723173 /nfs/dbraw/zinc/72/31/73/367723173.db2.gz BNSSSCZNHZZZDB-XLMCQVRKSA-N 2 2 208.349 2.167 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)[NH+](C)C ZINC000384776085 367730159 /nfs/dbraw/zinc/73/01/59/367730159.db2.gz PQLUISUFJJGXMQ-WDEREUQCSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)[C@H]1C ZINC000581734851 367798206 /nfs/dbraw/zinc/79/82/06/367798206.db2.gz YVILPUWFWRHLLO-AGIUHOORSA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)[C@H]1C ZINC000581734851 367798209 /nfs/dbraw/zinc/79/82/09/367798209.db2.gz YVILPUWFWRHLLO-AGIUHOORSA-N 2 2 235.375 2.329 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399179452 367851802 /nfs/dbraw/zinc/85/18/02/367851802.db2.gz ITVNXCRNKNQJSE-AGIUHOORSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1cn(Cc2[nH+]ccn2C(F)F)c(C)[nH+]1 ZINC000631014485 370894140 /nfs/dbraw/zinc/89/41/40/370894140.db2.gz IYAOGVJJTDWSJD-UHFFFAOYSA-N 2 2 226.230 2.140 20 0 BEADLP Cc1cccc(OCC[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385362401 367822469 /nfs/dbraw/zinc/82/24/69/367822469.db2.gz WGXBWXDURWZYML-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1cccc(OCC[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385362401 367822473 /nfs/dbraw/zinc/82/24/73/367822473.db2.gz WGXBWXDURWZYML-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000385992902 367894168 /nfs/dbraw/zinc/89/41/68/367894168.db2.gz JJUUJOKUMQFYSJ-BXUZGUMPSA-N 2 2 236.334 2.446 20 0 BEADLP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386535265 367986973 /nfs/dbraw/zinc/98/69/73/367986973.db2.gz BPLXFEDKKGSMJZ-DOMZBBRYSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000386552807 367991164 /nfs/dbraw/zinc/99/11/64/367991164.db2.gz HHCSDRGHUWSMML-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000386574393 367994288 /nfs/dbraw/zinc/99/42/88/367994288.db2.gz MSFRLZLXYHJVEH-WFASDCNBSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)[C@H]1C ZINC000386315755 367950287 /nfs/dbraw/zinc/95/02/87/367950287.db2.gz XNCBTRXHMPGQOB-XWUBHJNHSA-N 2 2 218.344 2.321 20 0 BEADLP FC(F)C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000387084869 368048784 /nfs/dbraw/zinc/04/87/84/368048784.db2.gz UFUMMQYICZOYEL-SNVBAGLBSA-N 2 2 232.318 2.106 20 0 BEADLP FC(F)C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000387084869 368048789 /nfs/dbraw/zinc/04/87/89/368048789.db2.gz UFUMMQYICZOYEL-SNVBAGLBSA-N 2 2 232.318 2.106 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000399252680 368054490 /nfs/dbraw/zinc/05/44/90/368054490.db2.gz LXMULPCDBOFGJW-GXSJLCMTSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000252971803 368175360 /nfs/dbraw/zinc/17/53/60/368175360.db2.gz YQZUZWSLMDFHHU-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000252971803 368175367 /nfs/dbraw/zinc/17/53/67/368175367.db2.gz YQZUZWSLMDFHHU-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1F ZINC000084946309 368860654 /nfs/dbraw/zinc/86/06/54/368860654.db2.gz ZNBFJBYJWYPYPX-GXSJLCMTSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1F ZINC000084946309 368860660 /nfs/dbraw/zinc/86/06/60/368860660.db2.gz ZNBFJBYJWYPYPX-GXSJLCMTSA-N 2 2 240.297 2.276 20 0 BEADLP C[NH2+]C[C@@H]1CCCN1Cc1c(C)cc(C)[nH+]c1C ZINC000631822076 368975181 /nfs/dbraw/zinc/97/51/81/368975181.db2.gz RYRZHOSAIVVLEB-AWEZNQCLSA-N 2 2 247.386 2.191 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)nc1C ZINC000631822076 368975187 /nfs/dbraw/zinc/97/51/87/368975187.db2.gz RYRZHOSAIVVLEB-AWEZNQCLSA-N 2 2 247.386 2.191 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1c(C)cc(C)nc1C ZINC000631822076 368975192 /nfs/dbraw/zinc/97/51/92/368975192.db2.gz RYRZHOSAIVVLEB-AWEZNQCLSA-N 2 2 247.386 2.191 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCCC2 ZINC000088750905 368927756 /nfs/dbraw/zinc/92/77/56/368927756.db2.gz GOTUZWOPZDXDLX-OLZOCXBDSA-N 2 2 249.358 2.237 20 0 BEADLP CC1(C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000309777695 326168021 /nfs/dbraw/zinc/16/80/21/326168021.db2.gz MAYCISLVEXDCRK-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000309777695 326168024 /nfs/dbraw/zinc/16/80/24/326168024.db2.gz MAYCISLVEXDCRK-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834732 369035808 /nfs/dbraw/zinc/03/58/08/369035808.db2.gz DXVUZLQXNUWDAI-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cnccc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834732 369035811 /nfs/dbraw/zinc/03/58/11/369035811.db2.gz DXVUZLQXNUWDAI-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000631827328 368994036 /nfs/dbraw/zinc/99/40/36/368994036.db2.gz LTHZOKWXZSPFNL-TUAOUCFPSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000631827328 368994038 /nfs/dbraw/zinc/99/40/38/368994038.db2.gz LTHZOKWXZSPFNL-TUAOUCFPSA-N 2 2 244.329 2.106 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000020248448 181461235 /nfs/dbraw/zinc/46/12/35/181461235.db2.gz IJBPLWVOZBVUKG-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000020248448 181461237 /nfs/dbraw/zinc/46/12/37/181461237.db2.gz IJBPLWVOZBVUKG-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccoc1 ZINC000156588279 326236360 /nfs/dbraw/zinc/23/63/60/326236360.db2.gz RJCUMBXSTMAIGQ-NTZNESFSSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccoc1 ZINC000156588279 326236363 /nfs/dbraw/zinc/23/63/63/326236363.db2.gz RJCUMBXSTMAIGQ-NTZNESFSSA-N 2 2 222.332 2.413 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459301772 203249488 /nfs/dbraw/zinc/24/94/88/203249488.db2.gz LEYZNTLCWDUHCO-ZDUSSCGKSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459301772 203249493 /nfs/dbraw/zinc/24/94/93/203249493.db2.gz LEYZNTLCWDUHCO-ZDUSSCGKSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433450 203275365 /nfs/dbraw/zinc/27/53/65/203275365.db2.gz UOERNUDTBDUNHD-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433450 203275367 /nfs/dbraw/zinc/27/53/67/203275367.db2.gz UOERNUDTBDUNHD-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000459408350 203275770 /nfs/dbraw/zinc/27/57/70/203275770.db2.gz LXAZEVLMXQHVOF-LBPRGKRZSA-N 2 2 235.375 2.331 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000459408350 203275773 /nfs/dbraw/zinc/27/57/73/203275773.db2.gz LXAZEVLMXQHVOF-LBPRGKRZSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]21 ZINC000459407673 203276318 /nfs/dbraw/zinc/27/63/18/203276318.db2.gz LJPRLUFJWAKUPR-BPLDGKMQSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]21 ZINC000459407673 203276321 /nfs/dbraw/zinc/27/63/21/203276321.db2.gz LJPRLUFJWAKUPR-BPLDGKMQSA-N 2 2 247.386 2.473 20 0 BEADLP CC[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459385560 203270966 /nfs/dbraw/zinc/27/09/66/203270966.db2.gz YWWUBVQCUUMPQO-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459385560 203270970 /nfs/dbraw/zinc/27/09/70/203270970.db2.gz YWWUBVQCUUMPQO-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C(C)(C)C)C1)[NH+](C)C ZINC000459474074 203288258 /nfs/dbraw/zinc/28/82/58/203288258.db2.gz YMHGYCBMCDBHNA-UNXYVOJBSA-N 2 2 212.381 2.351 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000459516993 203295835 /nfs/dbraw/zinc/29/58/35/203295835.db2.gz FCBHLBVVZNSWHM-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000459516993 203295838 /nfs/dbraw/zinc/29/58/38/203295838.db2.gz FCBHLBVVZNSWHM-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP Cc1ccc(CC[NH2+]C(C)(C)C[NH+](C)C)cc1 ZINC000459553081 203298315 /nfs/dbraw/zinc/29/83/15/203298315.db2.gz YHJWZSIDMDUJBY-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP CCOC1(C)C[NH+](CCCc2c[nH+]ccc2C)C1 ZINC000459611643 203316541 /nfs/dbraw/zinc/31/65/41/203316541.db2.gz AWTMLMZTELXLMY-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459654349 203330405 /nfs/dbraw/zinc/33/04/05/203330405.db2.gz FHUJOGDDIDQJBI-VIFPVBQESA-N 2 2 249.280 2.283 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000459656660 203331029 /nfs/dbraw/zinc/33/10/29/203331029.db2.gz HCMAGUFBBIZASV-UHFFFAOYSA-N 2 2 235.375 2.377 20 0 BEADLP Fc1cccc2c1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000459747242 203354263 /nfs/dbraw/zinc/35/42/63/203354263.db2.gz KYXFEHABCBHDAD-UHFFFAOYSA-N 2 2 245.301 2.428 20 0 BEADLP Fc1cccc2c1C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000459747242 203354267 /nfs/dbraw/zinc/35/42/67/203354267.db2.gz KYXFEHABCBHDAD-UHFFFAOYSA-N 2 2 245.301 2.428 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[N@@H+]1C1CC1 ZINC000459779849 203364907 /nfs/dbraw/zinc/36/49/07/203364907.db2.gz WYSQNCODKGTYHZ-MUGBGTHKSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[N@H+]1C1CC1 ZINC000459779849 203364911 /nfs/dbraw/zinc/36/49/11/203364911.db2.gz WYSQNCODKGTYHZ-MUGBGTHKSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[N@@H+]1C1CC1 ZINC000459779853 203365807 /nfs/dbraw/zinc/36/58/07/203365807.db2.gz WYSQNCODKGTYHZ-MYYUVRNCSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[N@H+]1C1CC1 ZINC000459779853 203365810 /nfs/dbraw/zinc/36/58/10/203365810.db2.gz WYSQNCODKGTYHZ-MYYUVRNCSA-N 2 2 234.387 2.390 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)C1CC(C)(C)C1 ZINC000459745426 203351716 /nfs/dbraw/zinc/35/17/16/203351716.db2.gz FLTTWNLHXCQIDH-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CC(C)(C)C1 ZINC000459745426 203351720 /nfs/dbraw/zinc/35/17/20/203351720.db2.gz FLTTWNLHXCQIDH-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000165276954 203383830 /nfs/dbraw/zinc/38/38/30/203383830.db2.gz RAPPFWLLBLRHAO-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631862513 369551287 /nfs/dbraw/zinc/55/12/87/369551287.db2.gz QHLLLUMUCQPITK-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631862513 369551290 /nfs/dbraw/zinc/55/12/90/369551290.db2.gz QHLLLUMUCQPITK-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP c1[nH+]c2n(c1C[NH+]1CC(CC3CC3)C1)CCC2 ZINC000621740348 370499328 /nfs/dbraw/zinc/49/93/28/370499328.db2.gz LDYNPCVBCACBTI-UHFFFAOYSA-N 2 2 231.343 2.061 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621776670 370525443 /nfs/dbraw/zinc/52/54/43/370525443.db2.gz SESFCKNLZNRAHN-BXKDBHETSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cncc(Cl)c1 ZINC000621776670 370525444 /nfs/dbraw/zinc/52/54/44/370525444.db2.gz SESFCKNLZNRAHN-BXKDBHETSA-N 2 2 239.750 2.047 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000621778274 370526792 /nfs/dbraw/zinc/52/67/92/370526792.db2.gz NLMXXPBDRWOMJW-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000621778274 370526796 /nfs/dbraw/zinc/52/67/96/370526796.db2.gz NLMXXPBDRWOMJW-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000621778875 370527624 /nfs/dbraw/zinc/52/76/24/370527624.db2.gz WHEQWXQFLXNTGV-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000621778875 370527630 /nfs/dbraw/zinc/52/76/30/370527630.db2.gz WHEQWXQFLXNTGV-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000623786275 371092049 /nfs/dbraw/zinc/09/20/49/371092049.db2.gz CDTXPPJKPPBZSU-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000623786275 371092053 /nfs/dbraw/zinc/09/20/53/371092053.db2.gz CDTXPPJKPPBZSU-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000092564093 371105378 /nfs/dbraw/zinc/10/53/78/371105378.db2.gz USDJIZPDOVUEFL-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000092564093 371105381 /nfs/dbraw/zinc/10/53/81/371105381.db2.gz USDJIZPDOVUEFL-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCCc3scnc32)c[nH+]1 ZINC000623851931 371127733 /nfs/dbraw/zinc/12/77/33/371127733.db2.gz LJQDBHHSXIUOBC-SNVBAGLBSA-N 2 2 248.355 2.007 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623851526 371128307 /nfs/dbraw/zinc/12/83/07/371128307.db2.gz AMMUNSICWHSJAC-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623851526 371128312 /nfs/dbraw/zinc/12/83/12/371128312.db2.gz AMMUNSICWHSJAC-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623851528 371128347 /nfs/dbraw/zinc/12/83/47/371128347.db2.gz AMMUNSICWHSJAC-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623851528 371128352 /nfs/dbraw/zinc/12/83/52/371128352.db2.gz AMMUNSICWHSJAC-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccncc1Cl)C[NH+](C)C ZINC000390266889 371192654 /nfs/dbraw/zinc/19/26/54/371192654.db2.gz QFPIEUQUOPJTDS-JTQLQIEISA-N 2 2 241.766 2.022 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)n1 ZINC000623987788 371220928 /nfs/dbraw/zinc/22/09/28/371220928.db2.gz OJQRCYPOKDHEAM-KOLCDFICSA-N 2 2 241.404 2.300 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101162 371306528 /nfs/dbraw/zinc/30/65/28/371306528.db2.gz MYETYJJHPXGWDF-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101162 371306537 /nfs/dbraw/zinc/30/65/37/371306537.db2.gz MYETYJJHPXGWDF-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000624101358 371308063 /nfs/dbraw/zinc/30/80/63/371308063.db2.gz AVVMUYKHQGXXDT-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000624101358 371308067 /nfs/dbraw/zinc/30/80/67/371308067.db2.gz AVVMUYKHQGXXDT-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000041029927 181645284 /nfs/dbraw/zinc/64/52/84/181645284.db2.gz MRBWYFCVIJUUJO-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000041029927 181645287 /nfs/dbraw/zinc/64/52/87/181645287.db2.gz MRBWYFCVIJUUJO-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271927 371452726 /nfs/dbraw/zinc/45/27/26/371452726.db2.gz MTULLIHLWIUHRG-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271927 371452732 /nfs/dbraw/zinc/45/27/32/371452732.db2.gz MTULLIHLWIUHRG-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000624272079 371452971 /nfs/dbraw/zinc/45/29/71/371452971.db2.gz WYEIWLSRMYLTKX-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000624272079 371452976 /nfs/dbraw/zinc/45/29/76/371452976.db2.gz WYEIWLSRMYLTKX-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000624271826 371453147 /nfs/dbraw/zinc/45/31/47/371453147.db2.gz GGINZSNKYGYAPS-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000624271826 371453151 /nfs/dbraw/zinc/45/31/51/371453151.db2.gz GGINZSNKYGYAPS-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000163683918 372030909 /nfs/dbraw/zinc/03/09/09/372030909.db2.gz KDKLNLBYUJOMKS-QWHCGFSZSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000163683918 372030916 /nfs/dbraw/zinc/03/09/16/372030916.db2.gz KDKLNLBYUJOMKS-QWHCGFSZSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631571566 372430791 /nfs/dbraw/zinc/43/07/91/372430791.db2.gz GBAQDQWDGLNWJU-WFASDCNBSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631571566 372430795 /nfs/dbraw/zinc/43/07/95/372430795.db2.gz GBAQDQWDGLNWJU-WFASDCNBSA-N 2 2 245.370 2.143 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000631821274 372594653 /nfs/dbraw/zinc/59/46/53/372594653.db2.gz UBUDTBBXZIFVAO-CQSZACIVSA-N 2 2 247.386 2.320 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000631821274 372594658 /nfs/dbraw/zinc/59/46/58/372594658.db2.gz UBUDTBBXZIFVAO-CQSZACIVSA-N 2 2 247.386 2.320 20 0 BEADLP Cc1cc(C)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC000631822116 372598345 /nfs/dbraw/zinc/59/83/45/372598345.db2.gz TWTXFOYYWDCIJJ-BETUJISGSA-N 2 2 247.386 2.189 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C2(C[NH3+])CCC2)c(C)n1 ZINC000631827368 372607942 /nfs/dbraw/zinc/60/79/42/372607942.db2.gz NBHXYTNOBIIYMS-UHFFFAOYSA-N 2 2 247.386 2.320 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C2(C[NH3+])CCC2)c(C)n1 ZINC000631827368 372607943 /nfs/dbraw/zinc/60/79/43/372607943.db2.gz NBHXYTNOBIIYMS-UHFFFAOYSA-N 2 2 247.386 2.320 20 0 BEADLP Cc1ncc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)s1 ZINC000631834182 372618044 /nfs/dbraw/zinc/61/80/44/372618044.db2.gz QYBPYWSWUBMJTG-LLVKDONJSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1ncc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)s1 ZINC000631834182 372618049 /nfs/dbraw/zinc/61/80/49/372618049.db2.gz QYBPYWSWUBMJTG-LLVKDONJSA-N 2 2 239.388 2.155 20 0 BEADLP C[C@@H](c1ccncc1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834323 372618511 /nfs/dbraw/zinc/61/85/11/372618511.db2.gz VBHAMWJUZCCCNC-GXTWGEPZSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1ccncc1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834323 372618517 /nfs/dbraw/zinc/61/85/17/372618517.db2.gz VBHAMWJUZCCCNC-GXTWGEPZSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834448 372621429 /nfs/dbraw/zinc/62/14/29/372621429.db2.gz XJTUKVPYGJJBHC-TZMCWYRMSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834448 372621433 /nfs/dbraw/zinc/62/14/33/372621433.db2.gz XJTUKVPYGJJBHC-TZMCWYRMSA-N 2 2 233.359 2.346 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c(C)s1 ZINC000631860115 372659722 /nfs/dbraw/zinc/65/97/22/372659722.db2.gz USRGENZLEDGEOF-UFBFGSQYSA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c(C)s1 ZINC000631860115 372659726 /nfs/dbraw/zinc/65/97/26/372659726.db2.gz USRGENZLEDGEOF-UFBFGSQYSA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000631824904 372603921 /nfs/dbraw/zinc/60/39/21/372603921.db2.gz UCIAFFCTAKOZCW-JSGCOSHPSA-N 2 2 247.386 2.189 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040673031 373590917 /nfs/dbraw/zinc/59/09/17/373590917.db2.gz JHHZYWWNPKQDTE-CVEARBPZSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040673031 373590923 /nfs/dbraw/zinc/59/09/23/373590923.db2.gz JHHZYWWNPKQDTE-CVEARBPZSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc2ncccc2c1 ZINC000041160361 374116506 /nfs/dbraw/zinc/11/65/06/374116506.db2.gz WMFPGYRAKJHYSC-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc2ncccc2c1 ZINC000041160361 374116516 /nfs/dbraw/zinc/11/65/16/374116516.db2.gz WMFPGYRAKJHYSC-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cncc(F)c1 ZINC000424379702 206038943 /nfs/dbraw/zinc/03/89/43/206038943.db2.gz VYLDTNNSZMSGSH-ZWKOPEQDSA-N 2 2 237.322 2.141 20 0 BEADLP C[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)C(C)(C)C ZINC000685458571 487528222 /nfs/dbraw/zinc/52/82/22/487528222.db2.gz QTIXVZGXQKLYRV-GFCCVEGCSA-N 2 2 224.392 2.449 20 0 BEADLP C[C@H](C[N@H+]1CC[NH+]2CCC1CC2)C(C)(C)C ZINC000685458571 487528226 /nfs/dbraw/zinc/52/82/26/487528226.db2.gz QTIXVZGXQKLYRV-GFCCVEGCSA-N 2 2 224.392 2.449 20 0 BEADLP CCCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C)C ZINC000308950179 168976204 /nfs/dbraw/zinc/97/62/04/168976204.db2.gz OVCVELWMLOOHPR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000093741899 169077920 /nfs/dbraw/zinc/07/79/20/169077920.db2.gz FDCLHFRPNSRHJC-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000093741899 169077923 /nfs/dbraw/zinc/07/79/23/169077923.db2.gz FDCLHFRPNSRHJC-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093741899 169077924 /nfs/dbraw/zinc/07/79/24/169077924.db2.gz FDCLHFRPNSRHJC-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093741899 169077927 /nfs/dbraw/zinc/07/79/27/169077927.db2.gz FDCLHFRPNSRHJC-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC000081570854 169077275 /nfs/dbraw/zinc/07/72/75/169077275.db2.gz VAGYDWNQQMSGNB-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC000081570854 169077277 /nfs/dbraw/zinc/07/72/77/169077277.db2.gz VAGYDWNQQMSGNB-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000081570854 169077279 /nfs/dbraw/zinc/07/72/79/169077279.db2.gz VAGYDWNQQMSGNB-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000081570854 169077282 /nfs/dbraw/zinc/07/72/82/169077282.db2.gz VAGYDWNQQMSGNB-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217665269 183291666 /nfs/dbraw/zinc/29/16/66/183291666.db2.gz NODDYNNHDJWLEY-CABCVRRESA-N 2 2 246.354 2.109 20 0 BEADLP Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217665269 183291668 /nfs/dbraw/zinc/29/16/68/183291668.db2.gz NODDYNNHDJWLEY-CABCVRRESA-N 2 2 246.354 2.109 20 0 BEADLP CCC[N@H+](Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000070901837 169179829 /nfs/dbraw/zinc/17/98/29/169179829.db2.gz ISIQSOITEPPLQN-LLVKDONJSA-N 2 2 224.373 2.322 20 0 BEADLP CCC[N@@H+](Cc1cccs1)[C@@H]1CC[NH2+]C1 ZINC000070901837 169179830 /nfs/dbraw/zinc/17/98/30/169179830.db2.gz ISIQSOITEPPLQN-LLVKDONJSA-N 2 2 224.373 2.322 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CCC3CC3)CC2)[nH]1 ZINC000336670834 183322800 /nfs/dbraw/zinc/32/28/00/183322800.db2.gz XOBQCKAJDFDZCF-UHFFFAOYSA-N 2 2 219.332 2.389 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CCOCC3CC3)CC2)[nH]1 ZINC000336720892 183323811 /nfs/dbraw/zinc/32/38/11/183323811.db2.gz WRZXNHARNBUREH-UHFFFAOYSA-N 2 2 249.358 2.016 20 0 BEADLP c1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269708835 183328203 /nfs/dbraw/zinc/32/82/03/183328203.db2.gz OKZNCYNWSDQZBA-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP c1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269708835 183328204 /nfs/dbraw/zinc/32/82/04/183328204.db2.gz OKZNCYNWSDQZBA-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](COC)C(C)C ZINC000353995381 169196086 /nfs/dbraw/zinc/19/60/86/169196086.db2.gz IFFWAXYLORXVCU-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](COC)C(C)C ZINC000353995381 169196087 /nfs/dbraw/zinc/19/60/87/169196087.db2.gz IFFWAXYLORXVCU-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340398451 169196504 /nfs/dbraw/zinc/19/65/04/169196504.db2.gz WZKVWRTXSVSZEI-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340398451 169196506 /nfs/dbraw/zinc/19/65/06/169196506.db2.gz WZKVWRTXSVSZEI-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP c1cc2c(cccc2C[NH2+]CC[NH+]2CCCC2)[nH]1 ZINC000070938663 183349394 /nfs/dbraw/zinc/34/93/94/183349394.db2.gz MGXFDWMKYMNZAA-UHFFFAOYSA-N 2 2 243.354 2.353 20 0 BEADLP c1cn(CC[NH2+]C2CC(c3ccccc3)C2)c[nH+]1 ZINC000041119496 183390165 /nfs/dbraw/zinc/39/01/65/183390165.db2.gz JJNJDJZOUNAVQK-UHFFFAOYSA-N 2 2 241.338 2.419 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284350215 169281940 /nfs/dbraw/zinc/28/19/40/169281940.db2.gz RZZFEXNGNLBALQ-KGLIPLIRSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284350215 169281942 /nfs/dbraw/zinc/28/19/42/169281942.db2.gz RZZFEXNGNLBALQ-KGLIPLIRSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[C@@H](C)[C@H](CC)[NH2+]CC[NH+](C)C ZINC000336645992 169373117 /nfs/dbraw/zinc/37/31/17/169373117.db2.gz CHGCWWMEXVAWFT-NEPJUHHUSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)CCOCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000221456620 134324649 /nfs/dbraw/zinc/32/46/49/134324649.db2.gz XPMDIPCGHYBKTL-KBPBESRZSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000221456620 134324650 /nfs/dbraw/zinc/32/46/50/134324650.db2.gz XPMDIPCGHYBKTL-KBPBESRZSA-N 2 2 242.407 2.108 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000224184395 134344986 /nfs/dbraw/zinc/34/49/86/134344986.db2.gz GCJZFCXADNMLHH-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000224184395 134344987 /nfs/dbraw/zinc/34/49/87/134344987.db2.gz GCJZFCXADNMLHH-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP CC(C)C[C@@H](C[NH2+]C[C@@H]1CCSC1)[NH+](C)C ZINC000224307655 134346018 /nfs/dbraw/zinc/34/60/18/134346018.db2.gz WSKJQQXTTRIFIC-STQMWFEESA-N 2 2 244.448 2.305 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000224426504 134347239 /nfs/dbraw/zinc/34/72/39/134347239.db2.gz WFNSLYFXEXTZHZ-AVGNSLFASA-N 2 2 244.448 2.448 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000128513836 383825684 /nfs/dbraw/zinc/82/56/84/383825684.db2.gz SYHJTSQMOWONOX-OAHLLOKOSA-N 2 2 248.345 2.498 20 0 BEADLP COCc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000088552744 383907832 /nfs/dbraw/zinc/90/78/32/383907832.db2.gz MBHATPJKSJOXKK-UHFFFAOYSA-N 2 2 248.370 2.018 20 0 BEADLP CCC(CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000131944113 383909244 /nfs/dbraw/zinc/90/92/44/383909244.db2.gz AQQCETSLQMXRSY-ZYHUDNBSSA-N 2 2 210.365 2.390 20 0 BEADLP CCC(CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000131944113 383909252 /nfs/dbraw/zinc/90/92/52/383909252.db2.gz AQQCETSLQMXRSY-ZYHUDNBSSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000560126807 383915738 /nfs/dbraw/zinc/91/57/38/383915738.db2.gz KWCSZAFAEWELTL-ZDUSSCGKSA-N 2 2 247.342 2.477 20 0 BEADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000070600420 383939342 /nfs/dbraw/zinc/93/93/42/383939342.db2.gz OIGIUXFDTQGUFF-QMMMGPOBSA-N 2 2 230.764 2.243 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000070911508 383959331 /nfs/dbraw/zinc/95/93/31/383959331.db2.gz CBUKKPVMTFATTE-RKDXNWHRSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070911508 383959335 /nfs/dbraw/zinc/95/93/35/383959335.db2.gz CBUKKPVMTFATTE-RKDXNWHRSA-N 2 2 224.270 2.141 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)n1 ZINC000643545240 384012770 /nfs/dbraw/zinc/01/27/70/384012770.db2.gz QYCZXIAZSGXQMV-KBPBESRZSA-N 2 2 247.386 2.491 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000049687879 384014732 /nfs/dbraw/zinc/01/47/32/384014732.db2.gz LAGUKXVKVWATIF-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000049687879 384014736 /nfs/dbraw/zinc/01/47/36/384014736.db2.gz LAGUKXVKVWATIF-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000163179103 384067441 /nfs/dbraw/zinc/06/74/41/384067441.db2.gz HOAMFVHGEWLZHW-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000163179103 384067449 /nfs/dbraw/zinc/06/74/49/384067449.db2.gz HOAMFVHGEWLZHW-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000090721227 384070608 /nfs/dbraw/zinc/07/06/08/384070608.db2.gz NMMNSGLTHDBTEE-MNOVXSKESA-N 2 2 239.388 2.024 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000090721227 384070611 /nfs/dbraw/zinc/07/06/11/384070611.db2.gz NMMNSGLTHDBTEE-MNOVXSKESA-N 2 2 239.388 2.024 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000302299631 384132995 /nfs/dbraw/zinc/13/29/95/384132995.db2.gz ACSWPQLYBSHQAA-SDDRHHMPSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000302299631 384132999 /nfs/dbraw/zinc/13/29/99/384132999.db2.gz ACSWPQLYBSHQAA-SDDRHHMPSA-N 2 2 244.329 2.106 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCc2sccc2[C@H]1C ZINC000042781829 384166529 /nfs/dbraw/zinc/16/65/29/384166529.db2.gz UYVBZSVVHNIBGP-RKDXNWHRSA-N 2 2 210.346 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCc2sccc2[C@H]1C ZINC000042781829 384166531 /nfs/dbraw/zinc/16/65/31/384166531.db2.gz UYVBZSVVHNIBGP-RKDXNWHRSA-N 2 2 210.346 2.014 20 0 BEADLP c1[nH]c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000092485603 384182752 /nfs/dbraw/zinc/18/27/52/384182752.db2.gz KPPHYYXJBJVJJM-JQWIXIFHSA-N 2 2 205.305 2.174 20 0 BEADLP c1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000092485603 384182754 /nfs/dbraw/zinc/18/27/54/384182754.db2.gz KPPHYYXJBJVJJM-JQWIXIFHSA-N 2 2 205.305 2.174 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000235439267 384231392 /nfs/dbraw/zinc/23/13/92/384231392.db2.gz OCXBLKBDUNFPIN-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000235439267 384231394 /nfs/dbraw/zinc/23/13/94/384231394.db2.gz OCXBLKBDUNFPIN-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313295573 384238132 /nfs/dbraw/zinc/23/81/32/384238132.db2.gz KKAUCXNDHAWZTO-YRGRVCCFSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313276651 384213328 /nfs/dbraw/zinc/21/33/28/384213328.db2.gz YLIHCEVJIZNTMM-RYUDHWBXSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313276650 384214656 /nfs/dbraw/zinc/21/46/56/384214656.db2.gz YLIHCEVJIZNTMM-IMRBUKKESA-N 2 2 235.375 2.377 20 0 BEADLP Cc1cc(C[NH2+]CCc2cn(C)c[nH+]2)cs1 ZINC000313302111 384243240 /nfs/dbraw/zinc/24/32/40/384243240.db2.gz PDJSRKKZBLXIGW-UHFFFAOYSA-N 2 2 235.356 2.122 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC(F)F ZINC000647317939 384244128 /nfs/dbraw/zinc/24/41/28/384244128.db2.gz AHOOGNITXWKRLY-NHCYSSNCSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)CC(F)F ZINC000647317939 384244134 /nfs/dbraw/zinc/24/41/34/384244134.db2.gz AHOOGNITXWKRLY-NHCYSSNCSA-N 2 2 246.345 2.350 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)CC ZINC000133561882 384255088 /nfs/dbraw/zinc/25/50/88/384255088.db2.gz TVAROGUNXHVKKH-GFCCVEGCSA-N 2 2 200.370 2.354 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)CC ZINC000133561882 384255089 /nfs/dbraw/zinc/25/50/89/384255089.db2.gz TVAROGUNXHVKKH-GFCCVEGCSA-N 2 2 200.370 2.354 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093692731 384260234 /nfs/dbraw/zinc/26/02/34/384260234.db2.gz YOWHUKCIHPGYGB-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093692731 384260236 /nfs/dbraw/zinc/26/02/36/384260236.db2.gz YOWHUKCIHPGYGB-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093693833 384262137 /nfs/dbraw/zinc/26/21/37/384262137.db2.gz FDHMKJSPPSHGOE-CQSZACIVSA-N 2 2 249.402 2.189 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000093693833 384262143 /nfs/dbraw/zinc/26/21/43/384262143.db2.gz FDHMKJSPPSHGOE-CQSZACIVSA-N 2 2 249.402 2.189 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000093769949 384267373 /nfs/dbraw/zinc/26/73/73/384267373.db2.gz HEDGIHMHPCGDKH-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000093769949 384267377 /nfs/dbraw/zinc/26/73/77/384267377.db2.gz HEDGIHMHPCGDKH-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093769949 384267383 /nfs/dbraw/zinc/26/73/83/384267383.db2.gz HEDGIHMHPCGDKH-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093769949 384267389 /nfs/dbraw/zinc/26/73/89/384267389.db2.gz HEDGIHMHPCGDKH-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000093769950 384268654 /nfs/dbraw/zinc/26/86/54/384268654.db2.gz HEDGIHMHPCGDKH-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000093769950 384268659 /nfs/dbraw/zinc/26/86/59/384268659.db2.gz HEDGIHMHPCGDKH-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093769950 384268668 /nfs/dbraw/zinc/26/86/68/384268668.db2.gz HEDGIHMHPCGDKH-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093769950 384268675 /nfs/dbraw/zinc/26/86/75/384268675.db2.gz HEDGIHMHPCGDKH-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000133920938 384319618 /nfs/dbraw/zinc/31/96/18/384319618.db2.gz VVQLBRXBQRZKGU-WDEREUQCSA-N 2 2 248.305 2.157 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000133920521 384319848 /nfs/dbraw/zinc/31/98/48/384319848.db2.gz VVQLBRXBQRZKGU-QWRGUYRKSA-N 2 2 248.305 2.157 20 0 BEADLP CSCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119975352 384321505 /nfs/dbraw/zinc/32/15/05/384321505.db2.gz PLYQLPCKNDMLQN-NEPJUHHUSA-N 2 2 239.388 2.129 20 0 BEADLP CSCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000119975352 384321509 /nfs/dbraw/zinc/32/15/09/384321509.db2.gz PLYQLPCKNDMLQN-NEPJUHHUSA-N 2 2 239.388 2.129 20 0 BEADLP CSC1(C[NH2+]CC[N@H+](C)C(C)C)CCC1 ZINC000308838342 384342273 /nfs/dbraw/zinc/34/22/73/384342273.db2.gz XLJZHUBPUQUDDL-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+](C)C(C)C)CCC1 ZINC000308838342 384342278 /nfs/dbraw/zinc/34/22/78/384342278.db2.gz XLJZHUBPUQUDDL-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cn[nH]c1 ZINC000229635900 384397148 /nfs/dbraw/zinc/39/71/48/384397148.db2.gz AXXXJVPQINOGHG-FZZIBODNSA-N 2 2 242.326 2.205 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000084487076 384399957 /nfs/dbraw/zinc/39/99/57/384399957.db2.gz AYGOYRXRXGUQGD-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP c1csc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000335632746 384405887 /nfs/dbraw/zinc/40/58/87/384405887.db2.gz XFNGTJAGVIUHRE-JTQLQIEISA-N 2 2 233.340 2.049 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061361877 384413518 /nfs/dbraw/zinc/41/35/18/384413518.db2.gz DDPHCNZXQVNHPU-MWLCHTKSSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061361876 384413561 /nfs/dbraw/zinc/41/35/61/384413561.db2.gz DDPHCNZXQVNHPU-GXSJLCMTSA-N 2 2 210.346 2.151 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000370590562 384420407 /nfs/dbraw/zinc/42/04/07/384420407.db2.gz WYJREKFIHYRVOI-ZFWWWQNUSA-N 2 2 247.386 2.259 20 0 BEADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000335603723 384376506 /nfs/dbraw/zinc/37/65/06/384376506.db2.gz IUIYVEDJVXLLSS-ZWNOBZJWSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000335603723 384376509 /nfs/dbraw/zinc/37/65/09/384376509.db2.gz IUIYVEDJVXLLSS-ZWNOBZJWSA-N 2 2 222.332 2.160 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000144681049 384440216 /nfs/dbraw/zinc/44/02/16/384440216.db2.gz OLXSIFMDQTZGKU-YOIVXCQUSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000144681049 384440220 /nfs/dbraw/zinc/44/02/20/384440220.db2.gz OLXSIFMDQTZGKU-YOIVXCQUSA-N 2 2 216.328 2.123 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cscn1 ZINC000161145874 384466562 /nfs/dbraw/zinc/46/65/62/384466562.db2.gz AIMMPLCPHOVQRN-NSHDSACASA-N 2 2 239.388 2.280 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000309897682 384468151 /nfs/dbraw/zinc/46/81/51/384468151.db2.gz GMSBMPOOTCOAAU-YRGRVCCFSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000309897682 384468159 /nfs/dbraw/zinc/46/81/59/384468159.db2.gz GMSBMPOOTCOAAU-YRGRVCCFSA-N 2 2 218.344 2.287 20 0 BEADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000163727397 384499688 /nfs/dbraw/zinc/49/96/88/384499688.db2.gz BXKKXQFMBAQLJU-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000163727397 384499693 /nfs/dbraw/zinc/49/96/93/384499693.db2.gz BXKKXQFMBAQLJU-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000019958321 384562849 /nfs/dbraw/zinc/56/28/49/384562849.db2.gz KRLRTVGVUXAGMY-YPMHNXCESA-N 2 2 236.359 2.444 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccn1 ZINC000019905770 384557054 /nfs/dbraw/zinc/55/70/54/384557054.db2.gz LQUJFVVRNDEKRW-GFCCVEGCSA-N 2 2 235.375 2.320 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1F ZINC000019958555 384562376 /nfs/dbraw/zinc/56/23/76/384562376.db2.gz YWZSSQCWXSJJLN-NSHDSACASA-N 2 2 224.323 2.428 20 0 BEADLP CCCOc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC000306053251 384567999 /nfs/dbraw/zinc/56/79/99/384567999.db2.gz WUHPRBPUUKGGTE-UHFFFAOYSA-N 2 2 236.359 2.256 20 0 BEADLP CCCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC000306053251 384568006 /nfs/dbraw/zinc/56/80/06/384568006.db2.gz WUHPRBPUUKGGTE-UHFFFAOYSA-N 2 2 236.359 2.256 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000309731162 384568712 /nfs/dbraw/zinc/56/87/12/384568712.db2.gz BDZREJROSMTINO-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000309731162 384568721 /nfs/dbraw/zinc/56/87/21/384568721.db2.gz BDZREJROSMTINO-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643071182 384590284 /nfs/dbraw/zinc/59/02/84/384590284.db2.gz ZLKLTKVNLNWZEZ-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643071182 384590288 /nfs/dbraw/zinc/59/02/88/384590288.db2.gz ZLKLTKVNLNWZEZ-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309736453 384572279 /nfs/dbraw/zinc/57/22/79/384572279.db2.gz GPSFDKMRLKPKBQ-KOLCDFICSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309736453 384572285 /nfs/dbraw/zinc/57/22/85/384572285.db2.gz GPSFDKMRLKPKBQ-KOLCDFICSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000020083704 384573183 /nfs/dbraw/zinc/57/31/83/384573183.db2.gz AQUCETRQAACONA-GFCCVEGCSA-N 2 2 232.371 2.388 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309736452 384573294 /nfs/dbraw/zinc/57/32/94/384573294.db2.gz GPSFDKMRLKPKBQ-GXSJLCMTSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309736452 384573301 /nfs/dbraw/zinc/57/33/01/384573301.db2.gz GPSFDKMRLKPKBQ-GXSJLCMTSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1cc(C)cc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000049857923 384576194 /nfs/dbraw/zinc/57/61/94/384576194.db2.gz JKFFONRYMMOPOZ-UHFFFAOYSA-N 2 2 229.327 2.290 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccn1 ZINC000020129012 384581150 /nfs/dbraw/zinc/58/11/50/384581150.db2.gz LKAAPQQCBUAZGO-ZDUSSCGKSA-N 2 2 233.359 2.218 20 0 BEADLP CCc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000272899169 384582739 /nfs/dbraw/zinc/58/27/39/384582739.db2.gz PBFDOHJGQMIBRP-ZDUSSCGKSA-N 2 2 248.374 2.242 20 0 BEADLP CCc1cc(N[C@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000272899169 384582747 /nfs/dbraw/zinc/58/27/47/384582747.db2.gz PBFDOHJGQMIBRP-ZDUSSCGKSA-N 2 2 248.374 2.242 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068875 384583218 /nfs/dbraw/zinc/58/32/18/384583218.db2.gz MNBNGNJJMFDXNZ-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068875 384583223 /nfs/dbraw/zinc/58/32/23/384583223.db2.gz MNBNGNJJMFDXNZ-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230507 384586500 /nfs/dbraw/zinc/58/65/00/384586500.db2.gz UXPMOGJWJUJKEL-LCGIIJARSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230507 384586509 /nfs/dbraw/zinc/58/65/09/384586509.db2.gz UXPMOGJWJUJKEL-LCGIIJARSA-N 2 2 244.382 2.330 20 0 BEADLP FC1(F)CC[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000306018132 384564841 /nfs/dbraw/zinc/56/48/41/384564841.db2.gz PSXVULWFDLVPJX-UTUOFQBUSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000306018132 384564848 /nfs/dbraw/zinc/56/48/48/384564848.db2.gz PSXVULWFDLVPJX-UTUOFQBUSA-N 2 2 244.329 2.248 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000020506212 384620243 /nfs/dbraw/zinc/62/02/43/384620243.db2.gz RMADKNLPOKSRSZ-GFCCVEGCSA-N 2 2 245.326 2.330 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761017 384592705 /nfs/dbraw/zinc/59/27/05/384592705.db2.gz IRUBZVYIKJXLHM-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761017 384592713 /nfs/dbraw/zinc/59/27/13/384592713.db2.gz IRUBZVYIKJXLHM-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403175775 384597041 /nfs/dbraw/zinc/59/70/41/384597041.db2.gz DXQBDRPNFFPWDR-YIYPIFLZSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403175775 384597049 /nfs/dbraw/zinc/59/70/49/384597049.db2.gz DXQBDRPNFFPWDR-YIYPIFLZSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403389836 384646286 /nfs/dbraw/zinc/64/62/86/384646286.db2.gz RVJXZICSOQVQNH-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403389836 384646291 /nfs/dbraw/zinc/64/62/91/384646291.db2.gz RVJXZICSOQVQNH-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP CCC(CC)[N@H+](CC(C)C)C[C@H](C)[NH3+] ZINC000086453437 384650144 /nfs/dbraw/zinc/65/01/44/384650144.db2.gz GBCFQKNJUWRLPQ-NSHDSACASA-N 2 2 200.370 2.480 20 0 BEADLP CCC(CC)[N@@H+](CC(C)C)C[C@H](C)[NH3+] ZINC000086453437 384650152 /nfs/dbraw/zinc/65/01/52/384650152.db2.gz GBCFQKNJUWRLPQ-NSHDSACASA-N 2 2 200.370 2.480 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000082287287 384660254 /nfs/dbraw/zinc/66/02/54/384660254.db2.gz HCUWQUIHNHBFMP-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000082287287 384660259 /nfs/dbraw/zinc/66/02/59/384660259.db2.gz HCUWQUIHNHBFMP-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000173370028 384677709 /nfs/dbraw/zinc/67/77/09/384677709.db2.gz YWFNIWFNOLVMRO-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086728499 384678175 /nfs/dbraw/zinc/67/81/75/384678175.db2.gz NRLBIJIXTOBBFX-AAEUAGOBSA-N 2 2 204.317 2.008 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729719 384678297 /nfs/dbraw/zinc/67/82/97/384678297.db2.gz YWLUAPYIDBFARD-CHWSQXEVSA-N 2 2 204.317 2.089 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000104345284 384679714 /nfs/dbraw/zinc/67/97/14/384679714.db2.gz SSOZSLRQHZKBRT-CYBMUJFWSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000104345284 384679724 /nfs/dbraw/zinc/67/97/24/384679724.db2.gz SSOZSLRQHZKBRT-CYBMUJFWSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086728494 384679723 /nfs/dbraw/zinc/67/97/23/384679723.db2.gz NRLBIJIXTOBBFX-DGCLKSJQSA-N 2 2 204.317 2.008 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCCC[C@H]1C ZINC000647540120 384682140 /nfs/dbraw/zinc/68/21/40/384682140.db2.gz XIFCXGQNCXONOC-RFGFWPKPSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCCC[C@H]1C ZINC000647540120 384682144 /nfs/dbraw/zinc/68/21/44/384682144.db2.gz XIFCXGQNCXONOC-RFGFWPKPSA-N 2 2 242.382 2.445 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1nc(C)cs1 ZINC000082725356 384706269 /nfs/dbraw/zinc/70/62/69/384706269.db2.gz FBDZASQVOSWMBL-UHFFFAOYSA-N 2 2 241.404 2.273 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)ccc1F ZINC000647549488 384741956 /nfs/dbraw/zinc/74/19/56/384741956.db2.gz CVJMZXSVOGISJA-MFKMUULPSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2CC(C(F)(F)F)C2)n1C ZINC000568273718 384743398 /nfs/dbraw/zinc/74/33/98/384743398.db2.gz YDJXELFPCIEWJI-UHFFFAOYSA-N 2 2 247.264 2.159 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)ccc1C ZINC000647549310 384744760 /nfs/dbraw/zinc/74/47/60/384744760.db2.gz SGVHKHGZEIVDGE-RISCZKNCSA-N 2 2 248.370 2.091 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336665273 384750338 /nfs/dbraw/zinc/75/03/38/384750338.db2.gz LLBKLRIBLXVBHM-NWDGAFQWSA-N 2 2 221.348 2.222 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000647550732 384765090 /nfs/dbraw/zinc/76/50/90/384765090.db2.gz FDOQEMJYDGGXJX-FIXISWKDSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)nc1 ZINC000647553539 384767817 /nfs/dbraw/zinc/76/78/17/384767817.db2.gz CLILTLRQSMULNF-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP Cc1ccc(C[NH2+]CCC[NH+](C)C)c(F)c1 ZINC000163612643 384832103 /nfs/dbraw/zinc/83/21/03/384832103.db2.gz OWDGBLBVXDTCSF-UHFFFAOYSA-N 2 2 224.323 2.175 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000107786872 384781947 /nfs/dbraw/zinc/78/19/47/384781947.db2.gz ZERFQJUKSDDOJE-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000107786872 384781954 /nfs/dbraw/zinc/78/19/54/384781954.db2.gz ZERFQJUKSDDOJE-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP CCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375268245 384788775 /nfs/dbraw/zinc/78/87/75/384788775.db2.gz LYHQSRCZGICDBQ-NSHDSACASA-N 2 2 221.348 2.498 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000084517101 384876556 /nfs/dbraw/zinc/87/65/56/384876556.db2.gz IFUVTNDWIXQAGL-AWEZNQCLSA-N 2 2 232.371 2.453 20 0 BEADLP CCC[C@@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)OC ZINC000308642091 384883354 /nfs/dbraw/zinc/88/33/54/384883354.db2.gz QGNYEJGPFOARJD-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000398211283 384845774 /nfs/dbraw/zinc/84/57/74/384845774.db2.gz SJCOQXGCGXWQOX-ZWNOBZJWSA-N 2 2 204.317 2.075 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)[N@H+](C)C1CC1 ZINC000151962330 384893230 /nfs/dbraw/zinc/89/32/30/384893230.db2.gz LCSGODWUXYRKHW-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000151962330 384893236 /nfs/dbraw/zinc/89/32/36/384893236.db2.gz LCSGODWUXYRKHW-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])nc1 ZINC000156597820 384903178 /nfs/dbraw/zinc/90/31/78/384903178.db2.gz DHAJBYAICGADGF-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])nc1 ZINC000156597820 384903188 /nfs/dbraw/zinc/90/31/88/384903188.db2.gz DHAJBYAICGADGF-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@H]3C[C@H]31)CCCC2 ZINC000367439434 384976210 /nfs/dbraw/zinc/97/62/10/384976210.db2.gz UNWAXNRVWJKQHF-YUTCNCBUSA-N 2 2 245.370 2.498 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261587701 384964458 /nfs/dbraw/zinc/96/44/58/384964458.db2.gz VDBWABGFIWPBQH-VXGBXAGGSA-N 2 2 247.342 2.236 20 0 BEADLP Cc1cccc(N2CCC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000157124938 385083618 /nfs/dbraw/zinc/08/36/18/385083618.db2.gz VOEBEQPGLZYCBQ-AWEZNQCLSA-N 2 2 245.370 2.455 20 0 BEADLP Nc1cc(C[NH+]2CCC3(CCC3)CC2)cc[nH+]1 ZINC000308741031 385049165 /nfs/dbraw/zinc/04/91/65/385049165.db2.gz SJWGWHBBIVYFHZ-UHFFFAOYSA-N 2 2 231.343 2.430 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340479251 385068324 /nfs/dbraw/zinc/06/83/24/385068324.db2.gz PJJBTPSKOSWDOJ-AAEUAGOBSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000340479251 385068328 /nfs/dbraw/zinc/06/83/28/385068328.db2.gz PJJBTPSKOSWDOJ-AAEUAGOBSA-N 2 2 222.376 2.247 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000157105514 385072853 /nfs/dbraw/zinc/07/28/53/385072853.db2.gz IUFSTFDKBQFZTA-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C ZINC000157105514 385072858 /nfs/dbraw/zinc/07/28/58/385072858.db2.gz IUFSTFDKBQFZTA-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC000261589284 385035023 /nfs/dbraw/zinc/03/50/23/385035023.db2.gz WFZQKXUPROKMBP-GFCCVEGCSA-N 2 2 247.342 2.169 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000128515446 385044330 /nfs/dbraw/zinc/04/43/30/385044330.db2.gz VVNWKACOCJTFLZ-MBNYWOFBSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000128515446 385044334 /nfs/dbraw/zinc/04/43/34/385044334.db2.gz VVNWKACOCJTFLZ-MBNYWOFBSA-N 2 2 245.370 2.357 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+](C)C ZINC000310552187 385114632 /nfs/dbraw/zinc/11/46/32/385114632.db2.gz UWEGRDTXLQQMRJ-ZIAGYGMSSA-N 3 2 243.439 2.070 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])nc1 ZINC000227353376 385130726 /nfs/dbraw/zinc/13/07/26/385130726.db2.gz DHAJBYAICGADGF-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])nc1 ZINC000227353376 385130732 /nfs/dbraw/zinc/13/07/32/385130732.db2.gz DHAJBYAICGADGF-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP c1ccc(NCCC[NH+]2CCCCC2)[nH+]c1 ZINC000006584686 385136540 /nfs/dbraw/zinc/13/65/40/385136540.db2.gz BTRCRLLQVRMVGO-UHFFFAOYSA-N 2 2 219.332 2.370 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000165258117 385091315 /nfs/dbraw/zinc/09/13/15/385091315.db2.gz LEHTUHABDJHUIY-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000165258117 385091322 /nfs/dbraw/zinc/09/13/22/385091322.db2.gz LEHTUHABDJHUIY-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000449735992 385092173 /nfs/dbraw/zinc/09/21/73/385092173.db2.gz UCHUARPPQPFRLU-WFASDCNBSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000449735992 385092181 /nfs/dbraw/zinc/09/21/81/385092181.db2.gz UCHUARPPQPFRLU-WFASDCNBSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449734469 385098579 /nfs/dbraw/zinc/09/85/79/385098579.db2.gz CDRFWTSEBLVYMJ-LSDHHAIUSA-N 2 2 248.370 2.073 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647481348 385181482 /nfs/dbraw/zinc/18/14/82/385181482.db2.gz PEEIYEPKZUWEEO-CQSZACIVSA-N 2 2 232.371 2.258 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647481348 385181491 /nfs/dbraw/zinc/18/14/91/385181491.db2.gz PEEIYEPKZUWEEO-CQSZACIVSA-N 2 2 232.371 2.258 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000449768294 385181723 /nfs/dbraw/zinc/18/17/23/385181723.db2.gz BUIQOYNXAQDXLQ-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000449768294 385181733 /nfs/dbraw/zinc/18/17/33/385181733.db2.gz BUIQOYNXAQDXLQ-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+](C)C)CC2 ZINC000129357610 385143546 /nfs/dbraw/zinc/14/35/46/385143546.db2.gz KPYMAEXULJLEBX-CQSZACIVSA-N 2 2 218.344 2.134 20 0 BEADLP C[C@@H](CNc1cccc[nH+]1)C[NH+]1CCCC1 ZINC000062075331 385153764 /nfs/dbraw/zinc/15/37/64/385153764.db2.gz RPPJGHPMWBVZAN-LBPRGKRZSA-N 2 2 219.332 2.225 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000178066856 385178878 /nfs/dbraw/zinc/17/88/78/385178878.db2.gz NGJIVVDDBWBLFX-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000178066856 385178889 /nfs/dbraw/zinc/17/88/89/385178889.db2.gz NGJIVVDDBWBLFX-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000449768292 385180050 /nfs/dbraw/zinc/18/00/50/385180050.db2.gz BUIQOYNXAQDXLQ-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000449768292 385180056 /nfs/dbraw/zinc/18/00/56/385180056.db2.gz BUIQOYNXAQDXLQ-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647482331 385207073 /nfs/dbraw/zinc/20/70/73/385207073.db2.gz KITRHLXDBIWRNT-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647482331 385207080 /nfs/dbraw/zinc/20/70/80/385207080.db2.gz KITRHLXDBIWRNT-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+](C)C ZINC000308860005 385222220 /nfs/dbraw/zinc/22/22/20/385222220.db2.gz RCRBOPIFACWVOL-KGYLQXTDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccnc1Cl ZINC000166285599 385236471 /nfs/dbraw/zinc/23/64/71/385236471.db2.gz GCMUDWWNEBZFAN-SNVBAGLBSA-N 2 2 241.766 2.337 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000308892098 385247477 /nfs/dbraw/zinc/24/74/77/385247477.db2.gz YAPFMTPDMQJHDS-IUCAKERBSA-N 2 2 226.286 2.257 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000130459029 385250782 /nfs/dbraw/zinc/25/07/82/385250782.db2.gz UVWKYCRRHQGOLR-ZDUSSCGKSA-N 2 2 248.370 2.009 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000308935121 385304000 /nfs/dbraw/zinc/30/40/00/385304000.db2.gz KRNDKKYMXYFXPT-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000044527789 385309303 /nfs/dbraw/zinc/30/93/03/385309303.db2.gz GXXRJYNXMBHLBW-NSHDSACASA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000044527789 385309307 /nfs/dbraw/zinc/30/93/07/385309307.db2.gz GXXRJYNXMBHLBW-NSHDSACASA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000044527763 385309598 /nfs/dbraw/zinc/30/95/98/385309598.db2.gz CCUAPWFPBWMYTN-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000044527763 385309603 /nfs/dbraw/zinc/30/96/03/385309603.db2.gz CCUAPWFPBWMYTN-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000346679775 385260039 /nfs/dbraw/zinc/26/00/39/385260039.db2.gz ATFAJTWAGNAPFJ-KGLIPLIRSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000346679775 385260043 /nfs/dbraw/zinc/26/00/43/385260043.db2.gz ATFAJTWAGNAPFJ-KGLIPLIRSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000037712413 385270962 /nfs/dbraw/zinc/27/09/62/385270962.db2.gz RFVJDFIVZXANKM-QMMMGPOBSA-N 2 2 232.249 2.315 20 0 BEADLP C[C@H](C[NH2+][C@H](C)c1ccco1)C[NH+](C)C ZINC000308922693 385294531 /nfs/dbraw/zinc/29/45/31/385294531.db2.gz PHVSYKAOTHYMDL-GHMZBOCLSA-N 2 2 210.321 2.128 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC1(C)C ZINC000309025606 385367234 /nfs/dbraw/zinc/36/72/34/385367234.db2.gz ZRWCUNNTKVWRNG-GHMZBOCLSA-N 2 2 212.381 2.351 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309048472 385382943 /nfs/dbraw/zinc/38/29/43/385382943.db2.gz POSPMTYJSSDDGF-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309048472 385382945 /nfs/dbraw/zinc/38/29/45/385382945.db2.gz POSPMTYJSSDDGF-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000309077457 385398387 /nfs/dbraw/zinc/39/83/87/385398387.db2.gz MFBIGHFCDAYCHS-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309077457 385398389 /nfs/dbraw/zinc/39/83/89/385398389.db2.gz MFBIGHFCDAYCHS-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309074218 385405966 /nfs/dbraw/zinc/40/59/66/385405966.db2.gz IMGDYOUBFGGBFM-RYUDHWBXSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309074218 385405970 /nfs/dbraw/zinc/40/59/70/385405970.db2.gz IMGDYOUBFGGBFM-RYUDHWBXSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020126983 385419778 /nfs/dbraw/zinc/41/97/78/385419778.db2.gz WGVFWMIXWYYJSZ-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000309164898 385444884 /nfs/dbraw/zinc/44/48/84/385444884.db2.gz IOAFDAYTILQBOY-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1CC ZINC000309164898 385444887 /nfs/dbraw/zinc/44/48/87/385444887.db2.gz IOAFDAYTILQBOY-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP c1cn(CCC[NH2+]Cc2ccsc2)c[nH+]1 ZINC000020305979 385458019 /nfs/dbraw/zinc/45/80/19/385458019.db2.gz SKZWHEYMNHGBAF-UHFFFAOYSA-N 2 2 221.329 2.125 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1(OC)CCCC1 ZINC000319554223 385447548 /nfs/dbraw/zinc/44/75/48/385447548.db2.gz CRTOUGYVGDCWDQ-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1(OC)CCCC1 ZINC000319554223 385447550 /nfs/dbraw/zinc/44/75/50/385447550.db2.gz CRTOUGYVGDCWDQ-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP Cn1cccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000156954486 385476145 /nfs/dbraw/zinc/47/61/45/385476145.db2.gz GWCYCYAGELOFNI-AWEZNQCLSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000156954486 385476148 /nfs/dbraw/zinc/47/61/48/385476148.db2.gz GWCYCYAGELOFNI-AWEZNQCLSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000156954486 385476154 /nfs/dbraw/zinc/47/61/54/385476154.db2.gz GWCYCYAGELOFNI-AWEZNQCLSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000156954486 385476157 /nfs/dbraw/zinc/47/61/57/385476157.db2.gz GWCYCYAGELOFNI-AWEZNQCLSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000156954639 385476517 /nfs/dbraw/zinc/47/65/17/385476517.db2.gz GWCYCYAGELOFNI-CQSZACIVSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000156954639 385476519 /nfs/dbraw/zinc/47/65/19/385476519.db2.gz GWCYCYAGELOFNI-CQSZACIVSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000156954639 385476524 /nfs/dbraw/zinc/47/65/24/385476524.db2.gz GWCYCYAGELOFNI-CQSZACIVSA-N 2 2 249.402 2.331 20 0 BEADLP Cn1cccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000156954639 385476527 /nfs/dbraw/zinc/47/65/27/385476527.db2.gz GWCYCYAGELOFNI-CQSZACIVSA-N 2 2 249.402 2.331 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336768485 385460927 /nfs/dbraw/zinc/46/09/27/385460927.db2.gz UHVXBEYYDNXKMZ-VXGBXAGGSA-N 2 2 216.344 2.056 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336768485 385460930 /nfs/dbraw/zinc/46/09/30/385460930.db2.gz UHVXBEYYDNXKMZ-VXGBXAGGSA-N 2 2 216.344 2.056 20 0 BEADLP Cc1[nH+]ccn1CCCN(C)c1cc(C)cc[nH+]1 ZINC000269530638 385604968 /nfs/dbraw/zinc/60/49/68/385604968.db2.gz YLWAZXZJIOUVSG-UHFFFAOYSA-N 2 2 244.342 2.421 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000036866959 385587574 /nfs/dbraw/zinc/58/75/74/385587574.db2.gz KSMARXWIKLLVDP-NSHDSACASA-N 2 2 210.346 2.061 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000036866959 385587577 /nfs/dbraw/zinc/58/75/77/385587577.db2.gz KSMARXWIKLLVDP-NSHDSACASA-N 2 2 210.346 2.061 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000036866958 385588674 /nfs/dbraw/zinc/58/86/74/385588674.db2.gz KSMARXWIKLLVDP-LLVKDONJSA-N 2 2 210.346 2.061 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000036866958 385588677 /nfs/dbraw/zinc/58/86/77/385588677.db2.gz KSMARXWIKLLVDP-LLVKDONJSA-N 2 2 210.346 2.061 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)[C@H]1CC1(C)C ZINC000309458199 385589671 /nfs/dbraw/zinc/58/96/71/385589671.db2.gz OAWIODQMGZWHNT-WUHRBBMRSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1CC1(C)C ZINC000309458199 385589679 /nfs/dbraw/zinc/58/96/79/385589679.db2.gz OAWIODQMGZWHNT-WUHRBBMRSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000269635707 385614878 /nfs/dbraw/zinc/61/48/78/385614878.db2.gz QVHAVHQESPLNDZ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000269635707 385614883 /nfs/dbraw/zinc/61/48/83/385614883.db2.gz QVHAVHQESPLNDZ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000269635707 385614887 /nfs/dbraw/zinc/61/48/87/385614887.db2.gz QVHAVHQESPLNDZ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000269635707 385614892 /nfs/dbraw/zinc/61/48/92/385614892.db2.gz QVHAVHQESPLNDZ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414849518 385622053 /nfs/dbraw/zinc/62/20/53/385622053.db2.gz RKVCLOFHISQAHJ-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414850044 385635820 /nfs/dbraw/zinc/63/58/20/385635820.db2.gz RYPHHVCCGDHUAC-XYHHVPKHSA-N 2 2 234.318 2.181 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@@H+]1C1CC1 ZINC000336677011 385607108 /nfs/dbraw/zinc/60/71/08/385607108.db2.gz BIFGGOBXRGDYPU-NEPJUHHUSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@H+]1C1CC1 ZINC000336677011 385607111 /nfs/dbraw/zinc/60/71/11/385607111.db2.gz BIFGGOBXRGDYPU-NEPJUHHUSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000063191629 385610142 /nfs/dbraw/zinc/61/01/42/385610142.db2.gz BQTDDNOWQDUJGO-ZYHUDNBSSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000063191629 385610147 /nfs/dbraw/zinc/61/01/47/385610147.db2.gz BQTDDNOWQDUJGO-ZYHUDNBSSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC[NH+](C)C ZINC000365131951 385610229 /nfs/dbraw/zinc/61/02/29/385610229.db2.gz KHMLEIWEXPZZSE-CFVMTHIKSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000063191626 385610916 /nfs/dbraw/zinc/61/09/16/385610916.db2.gz BQTDDNOWQDUJGO-JQWIXIFHSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000063191626 385610923 /nfs/dbraw/zinc/61/09/23/385610923.db2.gz BQTDDNOWQDUJGO-JQWIXIFHSA-N 2 2 224.373 2.450 20 0 BEADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000337387140 385639444 /nfs/dbraw/zinc/63/94/44/385639444.db2.gz IKSQIMOABMDTBV-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000337387140 385639449 /nfs/dbraw/zinc/63/94/49/385639449.db2.gz IKSQIMOABMDTBV-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H](C)c1ccccc1 ZINC000309503982 385640079 /nfs/dbraw/zinc/64/00/79/385640079.db2.gz VLADJUBMTQPYSL-QWHCGFSZSA-N 2 2 220.360 2.330 20 0 BEADLP CCCc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414851362 385652717 /nfs/dbraw/zinc/65/27/17/385652717.db2.gz UEZNPHDDRRCBCS-HNNXBMFYSA-N 2 2 232.371 2.481 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336735856 385718783 /nfs/dbraw/zinc/71/87/83/385718783.db2.gz OTEMESMYFSOMOB-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336735856 385718786 /nfs/dbraw/zinc/71/87/86/385718786.db2.gz OTEMESMYFSOMOB-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+]1CCC([C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270217626 385687801 /nfs/dbraw/zinc/68/78/01/385687801.db2.gz SWCUNYUIWLNQMX-AWEZNQCLSA-N 2 2 245.370 2.250 20 0 BEADLP CCC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000336740376 385713536 /nfs/dbraw/zinc/71/35/36/385713536.db2.gz UJNVKWMFOOIFJI-MOENNCHZSA-N 2 2 208.349 2.001 20 0 BEADLP CCC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000336740376 385713538 /nfs/dbraw/zinc/71/35/38/385713538.db2.gz UJNVKWMFOOIFJI-MOENNCHZSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000253207914 385669308 /nfs/dbraw/zinc/66/93/08/385669308.db2.gz YFRZMCVHYZRKFO-LSDHHAIUSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000253207914 385669314 /nfs/dbraw/zinc/66/93/14/385669314.db2.gz YFRZMCVHYZRKFO-LSDHHAIUSA-N 2 2 245.370 2.106 20 0 BEADLP Fc1ccc(/C=C\C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414861029 385743042 /nfs/dbraw/zinc/74/30/42/385743042.db2.gz DTMOCYZKIDAGMC-VXYRWZGASA-N 2 2 234.318 2.181 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000020126859 385770281 /nfs/dbraw/zinc/77/02/81/385770281.db2.gz FPKZSAMRNBUQLT-OAHLLOKOSA-N 2 2 230.355 2.359 20 0 BEADLP CC[C@@H]1CCC[C@H](C[NH2+]CC[NH2+]CCOC)C1 ZINC000414867186 385797965 /nfs/dbraw/zinc/79/79/65/385797965.db2.gz BYJJGNBKYOHECQ-KGLIPLIRSA-N 2 2 242.407 2.028 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414946577 385810209 /nfs/dbraw/zinc/81/02/09/385810209.db2.gz STRLOKCDFYVRKI-JTQLQIEISA-N 2 2 247.367 2.247 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000186917716 385814259 /nfs/dbraw/zinc/81/42/59/385814259.db2.gz KCZJWGSPPVZELF-LBPRGKRZSA-N 2 2 244.448 2.450 20 0 BEADLP CO[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(C)C ZINC000271314290 385817257 /nfs/dbraw/zinc/81/72/57/385817257.db2.gz XIGYZQKVZSXUMO-ZDUSSCGKSA-N 2 2 247.342 2.095 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000271332782 385818344 /nfs/dbraw/zinc/81/83/44/385818344.db2.gz ATKOESZZYBSNHN-STQMWFEESA-N 2 2 244.342 2.326 20 0 BEADLP CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000340172287 385819601 /nfs/dbraw/zinc/81/96/01/385819601.db2.gz HKAALTIWILLFOW-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH+](C)C ZINC000231788415 385819691 /nfs/dbraw/zinc/81/96/91/385819691.db2.gz HOZYJBFZEFXWHZ-LLVKDONJSA-N 2 2 240.778 2.422 20 0 BEADLP CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000340172285 385819673 /nfs/dbraw/zinc/81/96/73/385819673.db2.gz HKAALTIWILLFOW-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336740900 385841749 /nfs/dbraw/zinc/84/17/49/385841749.db2.gz MSPHTXYLJQGNNN-IJLUTSLNSA-N 2 2 221.348 2.296 20 0 BEADLP Fc1cccc(C2([NH2+]CCn3cc[nH+]c3)CC2)c1 ZINC000271831432 385852823 /nfs/dbraw/zinc/85/28/23/385852823.db2.gz UKTWUNPSTGBKQZ-UHFFFAOYSA-N 2 2 245.301 2.301 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)C ZINC000084127153 385859072 /nfs/dbraw/zinc/85/90/72/385859072.db2.gz PFFKMOVUGOBJCZ-QWHCGFSZSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)C ZINC000084127153 385859075 /nfs/dbraw/zinc/85/90/75/385859075.db2.gz PFFKMOVUGOBJCZ-QWHCGFSZSA-N 2 2 212.381 2.480 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCCC1 ZINC000309687321 385788875 /nfs/dbraw/zinc/78/88/75/385788875.db2.gz HTMSOPXKLYEQCJ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCCC1 ZINC000309687321 385788879 /nfs/dbraw/zinc/78/88/79/385788879.db2.gz HTMSOPXKLYEQCJ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000093074913 385887427 /nfs/dbraw/zinc/88/74/27/385887427.db2.gz XKSVAPLHELZSEG-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000093074913 385887432 /nfs/dbraw/zinc/88/74/32/385887432.db2.gz XKSVAPLHELZSEG-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336721401 385909807 /nfs/dbraw/zinc/90/98/07/385909807.db2.gz DJULHDAOZMMGKZ-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336721401 385909808 /nfs/dbraw/zinc/90/98/08/385909808.db2.gz DJULHDAOZMMGKZ-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC1([NH+](C)C)CC1 ZINC000397773483 385929616 /nfs/dbraw/zinc/92/96/16/385929616.db2.gz MOXOORWFQQWDFZ-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000335032876 385920837 /nfs/dbraw/zinc/92/08/37/385920837.db2.gz CBMCYFVEBOBYIT-RISCZKNCSA-N 2 2 230.355 2.361 20 0 BEADLP CCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC1 ZINC000322719546 385924865 /nfs/dbraw/zinc/92/48/65/385924865.db2.gz SPOKDDUSMPTICC-LBPRGKRZSA-N 2 2 207.321 2.468 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@H+](C)C1CC1 ZINC000336719817 385861109 /nfs/dbraw/zinc/86/11/09/385861109.db2.gz ZFZLIZDDWZXIMH-XZUYRWCXSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+](C)C1CC1 ZINC000336719817 385861113 /nfs/dbraw/zinc/86/11/13/385861113.db2.gz ZFZLIZDDWZXIMH-XZUYRWCXSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000308799973 385865552 /nfs/dbraw/zinc/86/55/52/385865552.db2.gz MHLFEWQJLXALGS-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000308799973 385865554 /nfs/dbraw/zinc/86/55/54/385865554.db2.gz MHLFEWQJLXALGS-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP COc1ccc2ccccc2c1C[NH2+][C@@H](C)C[NH3+] ZINC000414959338 385866854 /nfs/dbraw/zinc/86/68/54/385866854.db2.gz SWYHZFPGMXQRBT-NSHDSACASA-N 2 2 244.338 2.285 20 0 BEADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000337993611 385871393 /nfs/dbraw/zinc/87/13/93/385871393.db2.gz CFAKSRBHCPTBFE-OLZOCXBDSA-N 2 2 239.338 2.391 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000272069043 385874246 /nfs/dbraw/zinc/87/42/46/385874246.db2.gz UCXHJWFZRGYPEH-UHFFFAOYSA-N 2 2 244.342 2.190 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000414126674 385976155 /nfs/dbraw/zinc/97/61/55/385976155.db2.gz OQSHNFXWDIABAW-GFCCVEGCSA-N 2 2 244.342 2.017 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000221153596 385982720 /nfs/dbraw/zinc/98/27/20/385982720.db2.gz BJWDXUONEQPGCF-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000221153596 385982721 /nfs/dbraw/zinc/98/27/21/385982721.db2.gz BJWDXUONEQPGCF-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1F)C[NH+](C)C ZINC000291742431 385935810 /nfs/dbraw/zinc/93/58/10/385935810.db2.gz PBANORUPXSXYAX-JTQLQIEISA-N 2 2 242.313 2.252 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000335042109 385936362 /nfs/dbraw/zinc/93/63/62/385936362.db2.gz LXIOVSJVJCBNMA-NOZJJQNGSA-N 2 2 240.297 2.367 20 0 BEADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000335044213 385938534 /nfs/dbraw/zinc/93/85/34/385938534.db2.gz UKWSMZJBQOGVFQ-VXGBXAGGSA-N 2 2 208.305 2.029 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCOC[C@@]1(C)CC ZINC000338289760 385943578 /nfs/dbraw/zinc/94/35/78/385943578.db2.gz UZTYYBRYPKYKGP-CQSZACIVSA-N 2 2 242.407 2.219 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCOC[C@@]1(C)CC ZINC000338289760 385943582 /nfs/dbraw/zinc/94/35/82/385943582.db2.gz UZTYYBRYPKYKGP-CQSZACIVSA-N 2 2 242.407 2.219 20 0 BEADLP C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000335057119 385956823 /nfs/dbraw/zinc/95/68/23/385956823.db2.gz XJGLYPNOZWBVST-GWCFXTLKSA-N 2 2 231.343 2.207 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cs1 ZINC000335057820 385958791 /nfs/dbraw/zinc/95/87/91/385958791.db2.gz CYUKNVKLOMCIEG-CMPLNLGQSA-N 2 2 224.373 2.459 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)o1 ZINC000335059539 385962112 /nfs/dbraw/zinc/96/21/12/385962112.db2.gz CIUFISUCWXLVJT-NWDGAFQWSA-N 2 2 222.332 2.381 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414108535 385970210 /nfs/dbraw/zinc/97/02/10/385970210.db2.gz GIQDOTZOXLAQFE-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414108535 385970217 /nfs/dbraw/zinc/97/02/17/385970217.db2.gz GIQDOTZOXLAQFE-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273133988 385971881 /nfs/dbraw/zinc/97/18/81/385971881.db2.gz VLBDSGGTNJABFH-GHMZBOCLSA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273133988 385971887 /nfs/dbraw/zinc/97/18/87/385971887.db2.gz VLBDSGGTNJABFH-GHMZBOCLSA-N 2 2 207.321 2.388 20 0 BEADLP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419631 385997748 /nfs/dbraw/zinc/99/77/48/385997748.db2.gz QRAPCWWELYHIJA-QWHCGFSZSA-N 2 2 249.358 2.014 20 0 BEADLP CO[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419631 385997752 /nfs/dbraw/zinc/99/77/52/385997752.db2.gz QRAPCWWELYHIJA-QWHCGFSZSA-N 2 2 249.358 2.014 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414111673 386006561 /nfs/dbraw/zinc/00/65/61/386006561.db2.gz JDHQPLQNDFNEKP-REWJHTLYSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414111673 386006564 /nfs/dbraw/zinc/00/65/64/386006564.db2.gz JDHQPLQNDFNEKP-REWJHTLYSA-N 2 2 224.392 2.495 20 0 BEADLP CCSCC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000336751144 386006585 /nfs/dbraw/zinc/00/65/85/386006585.db2.gz FNKREBBTENGYKU-GFCCVEGCSA-N 2 2 232.437 2.305 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)[C@H]1C[C@H]1C ZINC000414116216 386009557 /nfs/dbraw/zinc/00/95/57/386009557.db2.gz WJGBSZYIEGCODE-MOLYVOAJSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1C[C@H]1C ZINC000414116216 386009562 /nfs/dbraw/zinc/00/95/62/386009562.db2.gz WJGBSZYIEGCODE-MOLYVOAJSA-N 2 2 210.365 2.103 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cc(C)cc[nH+]2)C[C@H]1C ZINC000345148529 386011817 /nfs/dbraw/zinc/01/18/17/386011817.db2.gz MFEVNMKLKZRALU-OLZOCXBDSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cc(C)cc[nH+]2)C[C@H]1C ZINC000345148529 386011820 /nfs/dbraw/zinc/01/18/20/386011820.db2.gz MFEVNMKLKZRALU-OLZOCXBDSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cc(C)cc[nH+]2)C[C@@H]1C ZINC000345148532 386012914 /nfs/dbraw/zinc/01/29/14/386012914.db2.gz MFEVNMKLKZRALU-STQMWFEESA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cc(C)cc[nH+]2)C[C@@H]1C ZINC000345148532 386012918 /nfs/dbraw/zinc/01/29/18/386012918.db2.gz MFEVNMKLKZRALU-STQMWFEESA-N 2 2 233.359 2.309 20 0 BEADLP Cc1cc[nH+]c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000286304832 386020399 /nfs/dbraw/zinc/02/03/99/386020399.db2.gz JSKBGOYHOZZATQ-KBPBESRZSA-N 2 2 245.370 2.453 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000336752985 386021090 /nfs/dbraw/zinc/02/10/90/386021090.db2.gz GREQMZAVZTVXCA-LBPRGKRZSA-N 2 2 230.421 2.061 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000336752985 386021096 /nfs/dbraw/zinc/02/10/96/386021096.db2.gz GREQMZAVZTVXCA-LBPRGKRZSA-N 2 2 230.421 2.061 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414185044 386025458 /nfs/dbraw/zinc/02/54/58/386025458.db2.gz GHHMWXYSZOBOLR-BEAPCOKYSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000414185044 386025463 /nfs/dbraw/zinc/02/54/63/386025463.db2.gz GHHMWXYSZOBOLR-BEAPCOKYSA-N 2 2 236.403 2.352 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336770786 386027739 /nfs/dbraw/zinc/02/77/39/386027739.db2.gz VWYUSTYOAPJBQF-NEPJUHHUSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@]1(C)CCCO1 ZINC000340502393 386031489 /nfs/dbraw/zinc/03/14/89/386031489.db2.gz JRWAXZCWRNZWDZ-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)COc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414883559 386033261 /nfs/dbraw/zinc/03/32/61/386033261.db2.gz NJBURZRTVNVLFA-AWEZNQCLSA-N 2 2 248.370 2.173 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335064645 386035011 /nfs/dbraw/zinc/03/50/11/386035011.db2.gz IBEIDLWHYGRULP-VXGBXAGGSA-N 2 2 242.725 2.449 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)[C@H](C)O1 ZINC000295503158 386043365 /nfs/dbraw/zinc/04/33/65/386043365.db2.gz UFLJKBXXITZJON-AGIUHOORSA-N 2 2 249.358 2.039 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414979703 386046371 /nfs/dbraw/zinc/04/63/71/386046371.db2.gz OHXULXCSRJTSQV-SNVBAGLBSA-N 2 2 239.388 2.238 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@H+](C)C1CC1 ZINC000340232739 386049760 /nfs/dbraw/zinc/04/97/60/386049760.db2.gz RSGQGIJEEQUIFU-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)[N@@H+](C)C1CC1 ZINC000340232739 386049768 /nfs/dbraw/zinc/04/97/68/386049768.db2.gz RSGQGIJEEQUIFU-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccncc1 ZINC000453052809 386106419 /nfs/dbraw/zinc/10/64/19/386106419.db2.gz DIICPFYRORZJBY-ZDUSSCGKSA-N 2 2 230.315 2.019 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000340523247 386116330 /nfs/dbraw/zinc/11/63/30/386116330.db2.gz GTJYHSHXVSERCF-SRVKXCTJSA-N 2 2 240.391 2.015 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000340523247 386116337 /nfs/dbraw/zinc/11/63/37/386116337.db2.gz GTJYHSHXVSERCF-SRVKXCTJSA-N 2 2 240.391 2.015 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000334443434 386062218 /nfs/dbraw/zinc/06/22/18/386062218.db2.gz DVGVOEVTZBVFDI-GFCCVEGCSA-N 2 2 245.301 2.196 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000334443434 386062225 /nfs/dbraw/zinc/06/22/25/386062225.db2.gz DVGVOEVTZBVFDI-GFCCVEGCSA-N 2 2 245.301 2.196 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@H+](C)C1CC1 ZINC000336728773 386081267 /nfs/dbraw/zinc/08/12/67/386081267.db2.gz CRGKMCVQRDCNEL-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+](C)C1CC1 ZINC000336728773 386081270 /nfs/dbraw/zinc/08/12/70/386081270.db2.gz CRGKMCVQRDCNEL-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@H+](C)C1CC1 ZINC000336728776 386082354 /nfs/dbraw/zinc/08/23/54/386082354.db2.gz CRGKMCVQRDCNEL-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[N@@H+](C)C1CC1 ZINC000336728776 386082360 /nfs/dbraw/zinc/08/23/60/386082360.db2.gz CRGKMCVQRDCNEL-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000414987910 386122663 /nfs/dbraw/zinc/12/26/63/386122663.db2.gz ZKYUTQZJJXCIFB-SECBINFHSA-N 2 2 230.714 2.306 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1Cl ZINC000414984675 386096449 /nfs/dbraw/zinc/09/64/49/386096449.db2.gz VLLOXOHFVMBISP-SNVBAGLBSA-N 2 2 242.750 2.176 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000093080906 386150043 /nfs/dbraw/zinc/15/00/43/386150043.db2.gz QZNGXRRABPXGNM-SRVKXCTJSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000093080906 386150047 /nfs/dbraw/zinc/15/00/47/386150047.db2.gz QZNGXRRABPXGNM-SRVKXCTJSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414992483 386155074 /nfs/dbraw/zinc/15/50/74/386155074.db2.gz RPVXUTDSGNHCBS-LLVKDONJSA-N 2 2 230.714 2.306 20 0 BEADLP CC[N@H+](CCC[NH3+])Cc1c(F)cccc1F ZINC000414687972 386179292 /nfs/dbraw/zinc/17/92/92/386179292.db2.gz CIUIUXQFTMBXMH-UHFFFAOYSA-N 2 2 228.286 2.136 20 0 BEADLP CC[N@@H+](CCC[NH3+])Cc1c(F)cccc1F ZINC000414687972 386179300 /nfs/dbraw/zinc/17/93/00/386179300.db2.gz CIUIUXQFTMBXMH-UHFFFAOYSA-N 2 2 228.286 2.136 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000414987912 386125108 /nfs/dbraw/zinc/12/51/08/386125108.db2.gz ZKYUTQZJJXCIFB-VIFPVBQESA-N 2 2 230.714 2.306 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414329435 386125282 /nfs/dbraw/zinc/12/52/82/386125282.db2.gz DBXIHAWOCMSUEU-FDYHWXHSSA-N 2 2 234.343 2.065 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414329435 386125289 /nfs/dbraw/zinc/12/52/89/386125289.db2.gz DBXIHAWOCMSUEU-FDYHWXHSSA-N 2 2 234.343 2.065 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)C1(C)CC1)C1CC1 ZINC000155875694 386132750 /nfs/dbraw/zinc/13/27/50/386132750.db2.gz YRROMZLAMNZDIO-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)C1(C)CC1)C1CC1 ZINC000155875694 386132756 /nfs/dbraw/zinc/13/27/56/386132756.db2.gz YRROMZLAMNZDIO-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP c1csc(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000335149601 386141197 /nfs/dbraw/zinc/14/11/97/386141197.db2.gz OGWIOOZMBLXOFJ-UHFFFAOYSA-N 2 2 222.357 2.028 20 0 BEADLP c1csc(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000335149601 386141202 /nfs/dbraw/zinc/14/12/02/386141202.db2.gz OGWIOOZMBLXOFJ-UHFFFAOYSA-N 2 2 222.357 2.028 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000275317364 386201523 /nfs/dbraw/zinc/20/15/23/386201523.db2.gz SMTFRRUKZGMIBB-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000275317364 386201529 /nfs/dbraw/zinc/20/15/29/386201529.db2.gz SMTFRRUKZGMIBB-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000275317364 386201531 /nfs/dbraw/zinc/20/15/31/386201531.db2.gz SMTFRRUKZGMIBB-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000275317364 386201534 /nfs/dbraw/zinc/20/15/34/386201534.db2.gz SMTFRRUKZGMIBB-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000414697038 386203071 /nfs/dbraw/zinc/20/30/71/386203071.db2.gz PPXPWEKKEAQURU-KGLIPLIRSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000414697038 386203074 /nfs/dbraw/zinc/20/30/74/386203074.db2.gz PPXPWEKKEAQURU-KGLIPLIRSA-N 2 2 242.407 2.107 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000131411595 386207815 /nfs/dbraw/zinc/20/78/15/386207815.db2.gz UOIMIBXDTALGJR-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000131411595 386207820 /nfs/dbraw/zinc/20/78/20/386207820.db2.gz UOIMIBXDTALGJR-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000131677063 386214758 /nfs/dbraw/zinc/21/47/58/386214758.db2.gz OWRKWVDSZBYOPJ-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000131677063 386214761 /nfs/dbraw/zinc/21/47/61/386214761.db2.gz OWRKWVDSZBYOPJ-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP COc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c(Cl)c1 ZINC000415000229 386219655 /nfs/dbraw/zinc/21/96/55/386219655.db2.gz ALACULJVUTUCGO-DTWKUNHWSA-N 2 2 242.750 2.174 20 0 BEADLP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[NH+](C)C ZINC000264232590 386221340 /nfs/dbraw/zinc/22/13/40/386221340.db2.gz CIHLJULYVQSBGC-LBPRGKRZSA-N 2 2 246.354 2.002 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000414898370 386225557 /nfs/dbraw/zinc/22/55/57/386225557.db2.gz SWHZZFRZHPRHSV-NSHDSACASA-N 2 2 242.725 2.306 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000415000850 386227971 /nfs/dbraw/zinc/22/79/71/386227971.db2.gz BQODXQBJKHUJPH-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347114153 386231187 /nfs/dbraw/zinc/23/11/87/386231187.db2.gz SITDTNUJGCAKJY-VXYRWZGASA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347114153 386231192 /nfs/dbraw/zinc/23/11/92/386231192.db2.gz SITDTNUJGCAKJY-VXYRWZGASA-N 2 2 234.318 2.262 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1C ZINC000347115952 386231333 /nfs/dbraw/zinc/23/13/33/386231333.db2.gz UHWSFPLIYNZRST-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP COc1c(C)cc(C[N@H+]2CCC[C@H]2C[NH3+])cc1C ZINC000347115952 386231338 /nfs/dbraw/zinc/23/13/38/386231338.db2.gz UHWSFPLIYNZRST-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347114154 386232808 /nfs/dbraw/zinc/23/28/08/386232808.db2.gz SITDTNUJGCAKJY-XYHHVPKHSA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347114154 386232811 /nfs/dbraw/zinc/23/28/11/386232811.db2.gz SITDTNUJGCAKJY-XYHHVPKHSA-N 2 2 234.318 2.262 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000347189406 386254864 /nfs/dbraw/zinc/25/48/64/386254864.db2.gz DJAWNNRXLZSTEE-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000347189406 386254869 /nfs/dbraw/zinc/25/48/69/386254869.db2.gz DJAWNNRXLZSTEE-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397845007 386199824 /nfs/dbraw/zinc/19/98/24/386199824.db2.gz RUQKTEMOCBPYKK-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000340310480 386282070 /nfs/dbraw/zinc/28/20/70/386282070.db2.gz NMPFRULZLQYEDR-LBPRGKRZSA-N 2 2 236.359 2.336 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000133013480 386284177 /nfs/dbraw/zinc/28/41/77/386284177.db2.gz ZARKHYHGTVKJIV-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000133013480 386284185 /nfs/dbraw/zinc/28/41/85/386284185.db2.gz ZARKHYHGTVKJIV-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340310873 386286925 /nfs/dbraw/zinc/28/69/25/386286925.db2.gz XWCNLCZGJADUBJ-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000347216156 386287938 /nfs/dbraw/zinc/28/79/38/386287938.db2.gz RBUVMQJUFUAOAM-VIFPVBQESA-N 2 2 236.290 2.351 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000347216156 386287942 /nfs/dbraw/zinc/28/79/42/386287942.db2.gz RBUVMQJUFUAOAM-VIFPVBQESA-N 2 2 236.290 2.351 20 0 BEADLP c1[nH]cc(C2CC[NH+](Cc3ccccn3)CC2)[nH+]1 ZINC000334482284 386310733 /nfs/dbraw/zinc/31/07/33/386310733.db2.gz WLHWZGJKKJUMGD-UHFFFAOYSA-N 2 2 242.326 2.184 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000414735835 386311491 /nfs/dbraw/zinc/31/14/91/386311491.db2.gz HFTUKLSDKCYSCC-AVGNSLFASA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000414735835 386311494 /nfs/dbraw/zinc/31/14/94/386311494.db2.gz HFTUKLSDKCYSCC-AVGNSLFASA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)c1ncc(C[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000414901775 386314106 /nfs/dbraw/zinc/31/41/06/386314106.db2.gz XLIVMAWZAFUIDE-NSHDSACASA-N 2 2 239.388 2.093 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(C)(C)OC)[C@@H](C)C1 ZINC000347141901 386261545 /nfs/dbraw/zinc/26/15/45/386261545.db2.gz HXKPWOLKDLYGLD-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(C)(C)OC)[C@@H](C)C1 ZINC000347141901 386261549 /nfs/dbraw/zinc/26/15/49/386261549.db2.gz HXKPWOLKDLYGLD-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000133051026 386273103 /nfs/dbraw/zinc/27/31/03/386273103.db2.gz DCFYNWZGMFIXQO-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000133051026 386273110 /nfs/dbraw/zinc/27/31/10/386273110.db2.gz DCFYNWZGMFIXQO-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]CC[NH+](C)C ZINC000276536322 386340566 /nfs/dbraw/zinc/34/05/66/386340566.db2.gz XALJADNBHNNNLW-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP C[C@]1(F)CC[NH+](CCC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000347350185 386345980 /nfs/dbraw/zinc/34/59/80/386345980.db2.gz MDUHWPXRXUCEGB-STQMWFEESA-N 2 2 246.345 2.244 20 0 BEADLP C[C@]1(F)CC[NH+](CCC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000347350185 386345982 /nfs/dbraw/zinc/34/59/82/386345982.db2.gz MDUHWPXRXUCEGB-STQMWFEESA-N 2 2 246.345 2.244 20 0 BEADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2ccc(C)cn12)OC ZINC000289727553 386347961 /nfs/dbraw/zinc/34/79/61/386347961.db2.gz GOAUBEDHNZFNPO-ZDUSSCGKSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000289727756 386348218 /nfs/dbraw/zinc/34/82/18/386348218.db2.gz OTIHPVGSXLPHQF-DZGCQCFKSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCCO ZINC000289789403 386356451 /nfs/dbraw/zinc/35/64/51/386356451.db2.gz RSAFPPICFUUBRV-UHFFFAOYSA-N 2 2 236.359 2.075 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000414750002 386369773 /nfs/dbraw/zinc/36/97/73/386369773.db2.gz QITQABHGVZEYQB-AWEZNQCLSA-N 2 2 248.370 2.124 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2ccc(O)cc2C1 ZINC000414750002 386369778 /nfs/dbraw/zinc/36/97/78/386369778.db2.gz QITQABHGVZEYQB-AWEZNQCLSA-N 2 2 248.370 2.124 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCCCO ZINC000289916588 386371383 /nfs/dbraw/zinc/37/13/83/386371383.db2.gz YFPKVNUSAXXMOG-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCCCO ZINC000289916588 386371391 /nfs/dbraw/zinc/37/13/91/386371391.db2.gz YFPKVNUSAXXMOG-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000289662574 386337309 /nfs/dbraw/zinc/33/73/09/386337309.db2.gz LZLYXITWAHTQIX-KGLIPLIRSA-N 2 2 248.370 2.072 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[N@@H+]1C1CC1 ZINC000336777636 386437690 /nfs/dbraw/zinc/43/76/90/386437690.db2.gz JBABJNGXVNKNCV-WYUUTHIRSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C[N@H+]1C1CC1 ZINC000336777636 386437698 /nfs/dbraw/zinc/43/76/98/386437698.db2.gz JBABJNGXVNKNCV-WYUUTHIRSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000336718589 386439248 /nfs/dbraw/zinc/43/92/48/386439248.db2.gz XKIZZANCYCWAPA-UTUOFQBUSA-N 2 2 244.448 2.446 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H]2c2ccccc2)c[nH+]1 ZINC000336715931 386445120 /nfs/dbraw/zinc/44/51/20/386445120.db2.gz VFYXNGCAQQAXBV-AWEZNQCLSA-N 2 2 227.311 2.330 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H]2c2ccccc2)c[nH+]1 ZINC000336715931 386445124 /nfs/dbraw/zinc/44/51/24/386445124.db2.gz VFYXNGCAQQAXBV-AWEZNQCLSA-N 2 2 227.311 2.330 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cncs2)CC1 ZINC000277597286 386450286 /nfs/dbraw/zinc/45/02/86/386450286.db2.gz VJZFWCXZPSRWCB-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000277597286 386450293 /nfs/dbraw/zinc/45/02/93/386450293.db2.gz VJZFWCXZPSRWCB-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP COC[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000290128721 386397948 /nfs/dbraw/zinc/39/79/48/386397948.db2.gz UVMOVDBONCCXNA-CQSZACIVSA-N 2 2 248.370 2.291 20 0 BEADLP COC[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000290128721 386397957 /nfs/dbraw/zinc/39/79/57/386397957.db2.gz UVMOVDBONCCXNA-CQSZACIVSA-N 2 2 248.370 2.291 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000414908165 386399188 /nfs/dbraw/zinc/39/91/88/386399188.db2.gz BBIBNSLANLEXCS-MFKMUULPSA-N 2 2 238.762 2.428 20 0 BEADLP CC[C@@H](COC)[NH2+]CCCc1c[nH+]ccc1C ZINC000290196681 386404623 /nfs/dbraw/zinc/40/46/23/386404623.db2.gz COKUVXAQSFAKDA-AWEZNQCLSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1ccc(CCCN2C[C@@H](C)[NH2+][C@@H](C)C2)c[nH+]1 ZINC000339408526 386416297 /nfs/dbraw/zinc/41/62/97/386416297.db2.gz HWYANVKUKOUMMM-OKILXGFUSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290404504 386428157 /nfs/dbraw/zinc/42/81/57/386428157.db2.gz JPMZOKUSWXMWPS-STQMWFEESA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000290404504 386428165 /nfs/dbraw/zinc/42/81/65/386428165.db2.gz JPMZOKUSWXMWPS-STQMWFEESA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290404504 386428172 /nfs/dbraw/zinc/42/81/72/386428172.db2.gz JPMZOKUSWXMWPS-STQMWFEESA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000290404504 386428176 /nfs/dbraw/zinc/42/81/76/386428176.db2.gz JPMZOKUSWXMWPS-STQMWFEESA-N 2 2 236.359 2.360 20 0 BEADLP C[N@H+](Cc1cc(F)ccc1F)CC(C)(C)C[NH3+] ZINC000093861234 386430649 /nfs/dbraw/zinc/43/06/49/386430649.db2.gz DPTCIQJDVSTREA-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP C[N@@H+](Cc1cc(F)ccc1F)CC(C)(C)C[NH3+] ZINC000093861234 386430659 /nfs/dbraw/zinc/43/06/59/386430659.db2.gz DPTCIQJDVSTREA-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCCC23CCC3)c[nH+]1 ZINC000394809819 386433722 /nfs/dbraw/zinc/43/37/22/386433722.db2.gz YZMJTTAOCYPTAY-GFCCVEGCSA-N 2 2 219.332 2.196 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336742079 386476945 /nfs/dbraw/zinc/47/69/45/386476945.db2.gz WGWHEOLDKVOOJT-WXHSDQCUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000415010832 386480771 /nfs/dbraw/zinc/48/07/71/386480771.db2.gz HEMIMQOXKVJJQB-RKDXNWHRSA-N 2 2 241.404 2.266 20 0 BEADLP CCC1CC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000336744198 386481125 /nfs/dbraw/zinc/48/11/25/386481125.db2.gz ZBGYQDTWYAUQMV-WTIISPKJSA-N 2 2 210.365 2.247 20 0 BEADLP CCC1CC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000336744198 386481127 /nfs/dbraw/zinc/48/11/27/386481127.db2.gz ZBGYQDTWYAUQMV-WTIISPKJSA-N 2 2 210.365 2.247 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000417355487 386494005 /nfs/dbraw/zinc/49/40/05/386494005.db2.gz NUMIJRDRNBZUDT-NSHDSACASA-N 2 2 208.349 2.003 20 0 BEADLP CC(C)c1ncc(C[N@H+](C)C2CC([NH3+])C2)s1 ZINC000414780983 386497686 /nfs/dbraw/zinc/49/76/86/386497686.db2.gz UZIKHLGHPXYZAV-UHFFFAOYSA-N 2 2 239.388 2.188 20 0 BEADLP CC(C)c1ncc(C[N@@H+](C)C2CC([NH3+])C2)s1 ZINC000414780983 386497689 /nfs/dbraw/zinc/49/76/89/386497689.db2.gz UZIKHLGHPXYZAV-UHFFFAOYSA-N 2 2 239.388 2.188 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000336779414 386498723 /nfs/dbraw/zinc/49/87/23/386498723.db2.gz OENULYZSLPRVHO-OLZOCXBDSA-N 2 2 224.392 2.354 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000336779414 386498731 /nfs/dbraw/zinc/49/87/31/386498731.db2.gz OENULYZSLPRVHO-OLZOCXBDSA-N 2 2 224.392 2.354 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)C[N@@H+]1C1CC1 ZINC000417336050 386503444 /nfs/dbraw/zinc/50/34/44/386503444.db2.gz JLHBCUJANMFBCL-IJLUTSLNSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC23CC3)C[N@H+]1C1CC1 ZINC000417336050 386503457 /nfs/dbraw/zinc/50/34/57/386503457.db2.gz JLHBCUJANMFBCL-IJLUTSLNSA-N 2 2 220.360 2.001 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000415050941 386505197 /nfs/dbraw/zinc/50/51/97/386505197.db2.gz FBALUOJVWCURHJ-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP C[NH+](C)[C@@]1(C[NH2+]C2CC(C)(C)C2)CCSC1 ZINC000336779422 386508165 /nfs/dbraw/zinc/50/81/65/386508165.db2.gz OFJDMATVSBMAPQ-CYBMUJFWSA-N 2 2 242.432 2.202 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000415043511 386530039 /nfs/dbraw/zinc/53/00/39/386530039.db2.gz RMRJIPMUXAJTLI-PIZKADEWSA-N 2 2 230.355 2.430 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](C[NH3+])C2)c[nH+]1 ZINC000415027598 386515904 /nfs/dbraw/zinc/51/59/04/386515904.db2.gz BFYNOOJUHXUYPE-GJZGRUSLSA-N 3 2 247.386 2.040 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414784786 386516968 /nfs/dbraw/zinc/51/69/68/386516968.db2.gz LIFCMEKNIVLGBE-NHYWBVRUSA-N 2 2 248.370 2.179 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414784786 386516975 /nfs/dbraw/zinc/51/69/75/386516975.db2.gz LIFCMEKNIVLGBE-NHYWBVRUSA-N 2 2 248.370 2.179 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c[nH+]1 ZINC000415027599 386517207 /nfs/dbraw/zinc/51/72/07/386517207.db2.gz BFYNOOJUHXUYPE-HUUCEWRRSA-N 3 2 247.386 2.040 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336780092 386523283 /nfs/dbraw/zinc/52/32/83/386523283.db2.gz QJQLCVOVQDIEMN-AVGNSLFASA-N 2 2 244.448 2.448 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336780092 386523286 /nfs/dbraw/zinc/52/32/86/386523286.db2.gz QJQLCVOVQDIEMN-AVGNSLFASA-N 2 2 244.448 2.448 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)c[nH+]1 ZINC000415036960 386523556 /nfs/dbraw/zinc/52/35/56/386523556.db2.gz KTCAITVRIBBDPA-AWEZNQCLSA-N 3 2 247.386 2.053 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000415037423 386524483 /nfs/dbraw/zinc/52/44/83/386524483.db2.gz LCKDBJLNOYHWOS-CQSZACIVSA-N 2 2 232.371 2.479 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336778263 386458279 /nfs/dbraw/zinc/45/82/79/386458279.db2.gz KWAHTVYMMZSZOI-QWHCGFSZSA-N 2 2 230.371 2.446 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336778263 386458283 /nfs/dbraw/zinc/45/82/83/386458283.db2.gz KWAHTVYMMZSZOI-QWHCGFSZSA-N 2 2 230.371 2.446 20 0 BEADLP Cc1c[nH+]c(CNc2cc3c(c[nH+]2)CCC3)n1C ZINC000339552681 386462414 /nfs/dbraw/zinc/46/24/14/386462414.db2.gz FQNBRWQEYZUOPL-UHFFFAOYSA-N 2 2 242.326 2.224 20 0 BEADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414795739 386574725 /nfs/dbraw/zinc/57/47/25/386574725.db2.gz HBFQZMRZXGKTJY-HTQZYQBOSA-N 2 2 245.779 2.014 20 0 BEADLP COc1cc(C)[nH+]c(CSCC[NH+](C)C)c1 ZINC000339742262 386576793 /nfs/dbraw/zinc/57/67/93/386576793.db2.gz JXAZYWRMYOFIMJ-UHFFFAOYSA-N 2 2 240.372 2.193 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)[NH+](C)C ZINC000278753058 386579092 /nfs/dbraw/zinc/57/90/92/386579092.db2.gz NYZOMKINEMOUNM-IUODEOHRSA-N 2 2 247.386 2.473 20 0 BEADLP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415078092 386587305 /nfs/dbraw/zinc/58/73/05/386587305.db2.gz IGCUKGDAPNBFSS-CQSZACIVSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000414922554 386593034 /nfs/dbraw/zinc/59/30/34/386593034.db2.gz GCYBCGWWYXOQNH-SWLSCSKDSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)[C@H]1C ZINC000336644563 386595534 /nfs/dbraw/zinc/59/55/34/386595534.db2.gz ADKSUKFDNBEYJM-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228655393 386596259 /nfs/dbraw/zinc/59/62/59/386596259.db2.gz YFRZMCVHYZRKFO-CABCVRRESA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228655393 386596269 /nfs/dbraw/zinc/59/62/69/386596269.db2.gz YFRZMCVHYZRKFO-CABCVRRESA-N 2 2 245.370 2.106 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000188442827 386532205 /nfs/dbraw/zinc/53/22/05/386532205.db2.gz MJFUEVZGVXRVGQ-RYUDHWBXSA-N 2 2 208.349 2.167 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000188442827 386532211 /nfs/dbraw/zinc/53/22/11/386532211.db2.gz MJFUEVZGVXRVGQ-RYUDHWBXSA-N 2 2 208.349 2.167 20 0 BEADLP C[C@H](CF)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336755252 386535732 /nfs/dbraw/zinc/53/57/32/386535732.db2.gz XPZZEXDRWKSCNL-SECBINFHSA-N 2 2 239.319 2.381 20 0 BEADLP COc1ccsc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415056047 386537821 /nfs/dbraw/zinc/53/78/21/386537821.db2.gz PDYRHBZIWHITHI-LLVKDONJSA-N 2 2 242.388 2.220 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415064203 386543963 /nfs/dbraw/zinc/54/39/63/386543963.db2.gz BZFTWUQSJKPQSD-WUKHSURWSA-N 2 2 230.355 2.432 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1F ZINC000415064253 386545607 /nfs/dbraw/zinc/54/56/07/386545607.db2.gz CCZBNBDZAHXUFZ-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP COc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1C ZINC000414790606 386547141 /nfs/dbraw/zinc/54/71/41/386547141.db2.gz PSNUJVSLINNTSA-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP COc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1C ZINC000414790606 386547147 /nfs/dbraw/zinc/54/71/47/386547147.db2.gz PSNUJVSLINNTSA-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP CCCc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000414791442 386549629 /nfs/dbraw/zinc/54/96/29/386549629.db2.gz QZCLCSYVCSXLAC-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CCCc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000414791442 386549633 /nfs/dbraw/zinc/54/96/33/386549633.db2.gz QZCLCSYVCSXLAC-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000070344526 386550838 /nfs/dbraw/zinc/55/08/38/386550838.db2.gz WSVXHEUOBQWOMX-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000414794458 386562015 /nfs/dbraw/zinc/56/20/15/386562015.db2.gz FRHUFEURXAYNOH-LLVKDONJSA-N 2 2 239.388 2.093 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123517183 386567314 /nfs/dbraw/zinc/56/73/14/386567314.db2.gz CFZNLQXLZOMMKV-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123517183 386567320 /nfs/dbraw/zinc/56/73/20/386567320.db2.gz CFZNLQXLZOMMKV-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000417361404 386567413 /nfs/dbraw/zinc/56/74/13/386567413.db2.gz YXVUHNCJHXXZNH-STQMWFEESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000415111560 386621059 /nfs/dbraw/zinc/62/10/59/386621059.db2.gz REMCWAMOHQZSNV-GXSJLCMTSA-N 2 2 240.297 2.020 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccsc1 ZINC000414809807 386622322 /nfs/dbraw/zinc/62/23/22/386622322.db2.gz HALLULAQAISEDT-LLVKDONJSA-N 2 2 212.362 2.355 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(O)c1 ZINC000335498356 386622854 /nfs/dbraw/zinc/62/28/54/386622854.db2.gz KONFWDHBVWYSKB-WCQYABFASA-N 2 2 234.343 2.185 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335498373 386623128 /nfs/dbraw/zinc/62/31/28/386623128.db2.gz LIZZXIDSAITPBK-QWHCGFSZSA-N 2 2 233.359 2.183 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccn1 ZINC000415119854 386631414 /nfs/dbraw/zinc/63/14/14/386631414.db2.gz XXKWNRLXRBBYFI-RYUDHWBXSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128277 386636055 /nfs/dbraw/zinc/63/60/55/386636055.db2.gz SCEDNCLHSCFTDK-WAZAZEMKSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128277 386636060 /nfs/dbraw/zinc/63/60/60/386636060.db2.gz SCEDNCLHSCFTDK-WAZAZEMKSA-N 2 2 248.345 2.208 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000414813023 386642682 /nfs/dbraw/zinc/64/26/82/386642682.db2.gz YBXVLGPOFDUQKK-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCCF)C1 ZINC000520327017 386646924 /nfs/dbraw/zinc/64/69/24/386646924.db2.gz GDKQMLWSRTXYOH-LBPRGKRZSA-N 2 2 239.338 2.349 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000520327017 386646929 /nfs/dbraw/zinc/64/69/29/386646929.db2.gz GDKQMLWSRTXYOH-LBPRGKRZSA-N 2 2 239.338 2.349 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(CC)s1 ZINC000414814935 386648383 /nfs/dbraw/zinc/64/83/83/386648383.db2.gz OTKWOPVGFCSELK-SNVBAGLBSA-N 2 2 241.404 2.313 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1F ZINC000414817904 386656462 /nfs/dbraw/zinc/65/64/62/386656462.db2.gz UGZHVZLKMWPDGS-LBPRGKRZSA-N 2 2 224.323 2.433 20 0 BEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000187812141 386602506 /nfs/dbraw/zinc/60/25/06/386602506.db2.gz CSQHDUWIOGCOHH-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000187812141 386602513 /nfs/dbraw/zinc/60/25/13/386602513.db2.gz CSQHDUWIOGCOHH-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(F)c(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414806532 386607046 /nfs/dbraw/zinc/60/70/46/386607046.db2.gz ZNIOIOBKBLBXJK-ZDUSSCGKSA-N 2 2 224.323 2.207 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414804307 386609717 /nfs/dbraw/zinc/60/97/17/386609717.db2.gz XEZFXKMNRZBAQP-LLVKDONJSA-N 2 2 246.276 2.177 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415107758 386615951 /nfs/dbraw/zinc/61/59/51/386615951.db2.gz JQZMKJGFZWDPDD-GXFFZTMASA-N 2 2 239.338 2.245 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(C)s1 ZINC000414819707 386660832 /nfs/dbraw/zinc/66/08/32/386660832.db2.gz ZJZCHNNYEXEFLM-JTQLQIEISA-N 2 2 227.377 2.059 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)nc1 ZINC000414824484 386682597 /nfs/dbraw/zinc/68/25/97/386682597.db2.gz AODASPLGASVRCS-HNNXBMFYSA-N 2 2 241.338 2.180 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000414823748 386681018 /nfs/dbraw/zinc/68/10/18/386681018.db2.gz PGWRMSWXZNVBKJ-UHFFFAOYSA-N 2 2 249.745 2.197 20 0 BEADLP C[C@@H](C1CCC1)[N@H+](C)CCn1cc[nH+]c1 ZINC000357045332 386699855 /nfs/dbraw/zinc/69/98/55/386699855.db2.gz WOJVYZCDBXXVNP-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H](C1CCC1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000357045332 386699858 /nfs/dbraw/zinc/69/98/58/386699858.db2.gz WOJVYZCDBXXVNP-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324758 386704673 /nfs/dbraw/zinc/70/46/73/386704673.db2.gz QJWZSBUCLLZAOA-ZFWWWQNUSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)[NH+](C)C ZINC000268848798 386705484 /nfs/dbraw/zinc/70/54/84/386705484.db2.gz GUPCLOXJMYWLPB-JMSVASOKSA-N 2 2 232.371 2.460 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414831915 386717358 /nfs/dbraw/zinc/71/73/58/386717358.db2.gz PYFIXJHQNVQBCU-UHFFFAOYSA-N 2 2 247.317 2.073 20 0 BEADLP CCC(C)(C)CC[N@@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647959484 386720616 /nfs/dbraw/zinc/72/06/16/386720616.db2.gz TVYUGKOFWQKHKO-RYUDHWBXSA-N 2 2 230.371 2.445 20 0 BEADLP CCC(C)(C)CC[N@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647959484 386720623 /nfs/dbraw/zinc/72/06/23/386720623.db2.gz TVYUGKOFWQKHKO-RYUDHWBXSA-N 2 2 230.371 2.445 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1F ZINC000414836341 386721501 /nfs/dbraw/zinc/72/15/01/386721501.db2.gz IMYDOUSFWBDSCC-LBPRGKRZSA-N 2 2 224.323 2.289 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414929939 386746329 /nfs/dbraw/zinc/74/63/29/386746329.db2.gz OMXNNAYOQZMHFW-GFCCVEGCSA-N 2 2 248.370 2.445 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000336760974 386747680 /nfs/dbraw/zinc/74/76/80/386747680.db2.gz MFGQWJDRGBHRHF-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000336760974 386747684 /nfs/dbraw/zinc/74/76/84/386747684.db2.gz MFGQWJDRGBHRHF-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cscn1)C1CCCCC1 ZINC000414842164 386750008 /nfs/dbraw/zinc/75/00/08/386750008.db2.gz NYJPKWVMXCBZAZ-GFCCVEGCSA-N 2 2 239.388 2.140 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000414930784 386755017 /nfs/dbraw/zinc/75/50/17/386755017.db2.gz PGVYYHFRZPWUKL-GXFFZTMASA-N 2 2 238.400 2.398 20 0 BEADLP CC[NH+](CC)CCNc1cc[nH+]c2ccncc12 ZINC000269259922 386766380 /nfs/dbraw/zinc/76/63/80/386766380.db2.gz AZHOLKIJFDBMLT-UHFFFAOYSA-N 2 2 244.342 2.384 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000020247166 386789569 /nfs/dbraw/zinc/78/95/69/386789569.db2.gz ROKFNJVWCBKKEO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000020247166 386789574 /nfs/dbraw/zinc/78/95/74/386789574.db2.gz ROKFNJVWCBKKEO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccon1 ZINC000349204811 386789680 /nfs/dbraw/zinc/78/96/80/386789680.db2.gz VIRKRWRILIKOPB-NEPJUHHUSA-N 2 2 237.347 2.200 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccon1 ZINC000349204811 386789686 /nfs/dbraw/zinc/78/96/86/386789686.db2.gz VIRKRWRILIKOPB-NEPJUHHUSA-N 2 2 237.347 2.200 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccon1 ZINC000349204816 386791568 /nfs/dbraw/zinc/79/15/68/386791568.db2.gz VIRKRWRILIKOPB-RYUDHWBXSA-N 2 2 237.347 2.200 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccon1 ZINC000349204816 386791571 /nfs/dbraw/zinc/79/15/71/386791571.db2.gz VIRKRWRILIKOPB-RYUDHWBXSA-N 2 2 237.347 2.200 20 0 BEADLP CC(C)OC1CC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000428074332 386795629 /nfs/dbraw/zinc/79/56/29/386795629.db2.gz DZHPGWOZYQFVNG-BLYZHGLHSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000428074332 386795636 /nfs/dbraw/zinc/79/56/36/386795636.db2.gz DZHPGWOZYQFVNG-BLYZHGLHSA-N 2 2 240.391 2.015 20 0 BEADLP CCC1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000336666058 386775155 /nfs/dbraw/zinc/77/51/55/386775155.db2.gz DYHWMXODDLTLPM-BLYZHGLHSA-N 2 2 224.392 2.495 20 0 BEADLP CCC1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000336666058 386775160 /nfs/dbraw/zinc/77/51/60/386775160.db2.gz DYHWMXODDLTLPM-BLYZHGLHSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(NCc2ccn3cc[nH+]c3c2)cc[nH+]1 ZINC000357416350 386779513 /nfs/dbraw/zinc/77/95/13/386779513.db2.gz HAAPULGXNFXUBD-UHFFFAOYSA-N 2 2 238.294 2.072 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCSC3)n2c1 ZINC000269341607 386783467 /nfs/dbraw/zinc/78/34/67/386783467.db2.gz GIPKGWRTJVWOLJ-LLVKDONJSA-N 2 2 247.367 2.238 20 0 BEADLP c1c2ccccc2oc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414846670 386820096 /nfs/dbraw/zinc/82/00/96/386820096.db2.gz NUDSYSQLPKBAGN-LBPRGKRZSA-N 2 2 230.311 2.274 20 0 BEADLP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334783771 386843262 /nfs/dbraw/zinc/84/32/62/386843262.db2.gz BTNOPDFOIVJMJX-GXTWGEPZSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334783771 386843267 /nfs/dbraw/zinc/84/32/67/386843267.db2.gz BTNOPDFOIVJMJX-GXTWGEPZSA-N 2 2 234.318 2.236 20 0 BEADLP C[NH+](C)CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301491019 386848308 /nfs/dbraw/zinc/84/83/08/386848308.db2.gz BHSJYVGKYDIVIK-UHFFFAOYSA-N 2 2 236.363 2.138 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301564540 386856157 /nfs/dbraw/zinc/85/61/57/386856157.db2.gz JHFKXACJAILZKR-VXGBXAGGSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000301634211 386861366 /nfs/dbraw/zinc/86/13/66/386861366.db2.gz KDEBQISNOMCNDV-CYBMUJFWSA-N 2 2 231.343 2.065 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000336739251 386876041 /nfs/dbraw/zinc/87/60/41/386876041.db2.gz LBYQOQDAGHBFHO-RYUDHWBXSA-N 2 2 221.348 2.440 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000334835842 386876942 /nfs/dbraw/zinc/87/69/42/386876942.db2.gz KFVVVIUVDJISIF-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000334835842 386876947 /nfs/dbraw/zinc/87/69/47/386876947.db2.gz KFVVVIUVDJISIF-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000334835842 386876950 /nfs/dbraw/zinc/87/69/50/386876950.db2.gz KFVVVIUVDJISIF-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000334835842 386876953 /nfs/dbraw/zinc/87/69/53/386876953.db2.gz KFVVVIUVDJISIF-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP CC1([NH2+]Cc2ccc(F)cc2F)CC[NH2+]CC1 ZINC000334841462 386885467 /nfs/dbraw/zinc/88/54/67/386885467.db2.gz IMQODEFVHFPSKW-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000414941762 386886783 /nfs/dbraw/zinc/88/67/83/386886783.db2.gz YWLREZATYQRMHH-MFKMUULPSA-N 2 2 238.762 2.428 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414941666 386887529 /nfs/dbraw/zinc/88/75/29/386887529.db2.gz YTHSGBQWPHYPJK-WFASDCNBSA-N 2 2 248.370 2.173 20 0 BEADLP c1cn(C2CC[NH+](CCOC3CCC3)CC2)c[nH+]1 ZINC000367850939 386914497 /nfs/dbraw/zinc/91/44/97/386914497.db2.gz WKVRWCDKYJKVHH-UHFFFAOYSA-N 2 2 249.358 2.089 20 0 BEADLP Cn1c[nH+]cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000334861802 386914578 /nfs/dbraw/zinc/91/45/78/386914578.db2.gz HAXGCEIGCQWZLJ-UHFFFAOYSA-N 2 2 242.326 2.390 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000334861897 386916008 /nfs/dbraw/zinc/91/60/08/386916008.db2.gz FNKCTEPPBUNLEO-HZMBPMFUSA-N 2 2 234.318 2.155 20 0 BEADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1CCOC1 ZINC000358234401 386916943 /nfs/dbraw/zinc/91/69/43/386916943.db2.gz WZJLQJPCAAYPJW-LSDHHAIUSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000334863241 386917849 /nfs/dbraw/zinc/91/78/49/386917849.db2.gz LWCUYTWXUDDNLO-WCBMZHEXSA-N 2 2 244.791 2.489 20 0 BEADLP Cc1ccc(NC[C@@H]2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000334847946 386895941 /nfs/dbraw/zinc/89/59/41/386895941.db2.gz HARFAFOXKQDDPK-NWDGAFQWSA-N 2 2 219.332 2.190 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000334850131 386898437 /nfs/dbraw/zinc/89/84/37/386898437.db2.gz SHKKHTIDCCLLTQ-ZDUSSCGKSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358168498 386905256 /nfs/dbraw/zinc/90/52/56/386905256.db2.gz ZQRNBJLTSCFVOH-ZFWWWQNUSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358168498 386905261 /nfs/dbraw/zinc/90/52/61/386905261.db2.gz ZQRNBJLTSCFVOH-ZFWWWQNUSA-N 2 2 232.371 2.077 20 0 BEADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000334857886 386910364 /nfs/dbraw/zinc/91/03/64/386910364.db2.gz PYGOEGVNHABSRC-JOYOIKCWSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000334866073 386923462 /nfs/dbraw/zinc/92/34/62/386923462.db2.gz WBCGCQBYADPVTI-ONGXEEELSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)CC[NH2+]1 ZINC000334867378 386926296 /nfs/dbraw/zinc/92/62/96/386926296.db2.gz DAAAQRQJDUWLOX-YUMQZZPRSA-N 2 2 245.779 2.027 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334819759 386947446 /nfs/dbraw/zinc/94/74/46/386947446.db2.gz JHRMVKQBEATKLA-RNCFNFMXSA-N 2 2 240.297 2.195 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000334869852 386929897 /nfs/dbraw/zinc/92/98/97/386929897.db2.gz PQKJGSJAOKPYBS-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000334869852 386929899 /nfs/dbraw/zinc/92/98/99/386929899.db2.gz PQKJGSJAOKPYBS-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CCSCC1)[NH+](C)C ZINC000336763048 386936889 /nfs/dbraw/zinc/93/68/89/386936889.db2.gz OULGMYUAPDSJBD-GHMZBOCLSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000334967935 387050653 /nfs/dbraw/zinc/05/06/53/387050653.db2.gz LNOMIIONWPVCAX-DTWKUNHWSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000334967935 387050657 /nfs/dbraw/zinc/05/06/57/387050657.db2.gz LNOMIIONWPVCAX-DTWKUNHWSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000334967937 387050749 /nfs/dbraw/zinc/05/07/49/387050749.db2.gz LNOMIIONWPVCAX-RKDXNWHRSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000334967937 387050754 /nfs/dbraw/zinc/05/07/54/387050754.db2.gz LNOMIIONWPVCAX-RKDXNWHRSA-N 2 2 238.297 2.244 20 0 BEADLP C[N@H+](CC[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000334970715 387054088 /nfs/dbraw/zinc/05/40/88/387054088.db2.gz DQLMTDOOULXIGO-LBPRGKRZSA-N 2 2 224.735 2.218 20 0 BEADLP C[N@@H+](CC[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000334970715 387054091 /nfs/dbraw/zinc/05/40/91/387054091.db2.gz DQLMTDOOULXIGO-LBPRGKRZSA-N 2 2 224.735 2.218 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000053201882 387020364 /nfs/dbraw/zinc/02/03/64/387020364.db2.gz OAWMYRGZTOLVKT-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000053201882 387020366 /nfs/dbraw/zinc/02/03/66/387020366.db2.gz OAWMYRGZTOLVKT-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C/C(Cl)=C\C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528389625 387026438 /nfs/dbraw/zinc/02/64/38/387026438.db2.gz UIFDKDRHYFXHED-BCMYLCSRSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C\C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528389625 387026442 /nfs/dbraw/zinc/02/64/42/387026442.db2.gz UIFDKDRHYFXHED-BCMYLCSRSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C\C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000528389625 387026446 /nfs/dbraw/zinc/02/64/46/387026446.db2.gz UIFDKDRHYFXHED-BCMYLCSRSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C\C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000528389625 387026447 /nfs/dbraw/zinc/02/64/47/387026447.db2.gz UIFDKDRHYFXHED-BCMYLCSRSA-N 2 2 230.783 2.403 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000070892868 387078082 /nfs/dbraw/zinc/07/80/82/387078082.db2.gz BSDCVZJVEDDLRF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000070892868 387078084 /nfs/dbraw/zinc/07/80/84/387078084.db2.gz BSDCVZJVEDDLRF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP CCc1ccccc1C[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000070893050 387078679 /nfs/dbraw/zinc/07/86/79/387078679.db2.gz DFIKMUORIFPLDL-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccccc1C[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000070893050 387078682 /nfs/dbraw/zinc/07/86/82/387078682.db2.gz DFIKMUORIFPLDL-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CC(C)c1nc(NC2(C[NH+](C)C)CCC2)cc[nH+]1 ZINC000359301199 387081286 /nfs/dbraw/zinc/08/12/86/387081286.db2.gz SSKNGDUMYSJATQ-UHFFFAOYSA-N 2 2 248.374 2.496 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000335007560 387102980 /nfs/dbraw/zinc/10/29/80/387102980.db2.gz QPWHZLYSWWYNID-AAEUAGOBSA-N 2 2 208.349 2.074 20 0 BEADLP CCCCOc1ccc(C[NH2+]CC[NH2+]C)cc1 ZINC000228712651 387112493 /nfs/dbraw/zinc/11/24/93/387112493.db2.gz INNDCRPCNANLEW-UHFFFAOYSA-N 2 2 236.359 2.175 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353090790 387115319 /nfs/dbraw/zinc/11/53/19/387115319.db2.gz VHXBHZDTMGDORP-UHFFFAOYSA-N 2 2 247.264 2.242 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000335028748 387122310 /nfs/dbraw/zinc/12/23/10/387122310.db2.gz USOQIUOWKUJVDO-DZGCQCFKSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000336319201 387143429 /nfs/dbraw/zinc/14/34/29/387143429.db2.gz VBFZIZPCHDOVII-DGCLKSJQSA-N 2 2 233.359 2.366 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000336319204 387143725 /nfs/dbraw/zinc/14/37/25/387143725.db2.gz VBFZIZPCHDOVII-YPMHNXCESA-N 2 2 233.359 2.366 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000336319202 387143902 /nfs/dbraw/zinc/14/39/02/387143902.db2.gz VBFZIZPCHDOVII-WCQYABFASA-N 2 2 233.359 2.366 20 0 BEADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423309409 387145858 /nfs/dbraw/zinc/14/58/58/387145858.db2.gz ZNPGFDHRNHFRFM-XEGUGMAKSA-N 2 2 248.345 2.401 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1cccs1 ZINC000423312237 387148845 /nfs/dbraw/zinc/14/88/45/387148845.db2.gz CYDGWVRKCSNZHL-NSHDSACASA-N 2 2 242.388 2.025 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c[nH]2)cn1 ZINC000353184907 387149838 /nfs/dbraw/zinc/14/98/38/387149838.db2.gz PYGXBSNIYPGMQI-UHFFFAOYSA-N 2 2 230.315 2.138 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423315056 387153389 /nfs/dbraw/zinc/15/33/89/387153389.db2.gz IGCREFHWQYJHKA-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000423316926 387156392 /nfs/dbraw/zinc/15/63/92/387156392.db2.gz BQZWONDSYVMFHK-BDAKNGLRSA-N 2 2 239.388 2.020 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423322990 387165702 /nfs/dbraw/zinc/16/57/02/387165702.db2.gz JDKRCSOMMPYVHY-RNFRBKRXSA-N 2 2 232.249 2.102 20 0 BEADLP CCC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccn1 ZINC000423321326 387166205 /nfs/dbraw/zinc/16/62/05/387166205.db2.gz HDAQGDIHFISGOT-GFCCVEGCSA-N 2 2 233.359 2.394 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000423327261 387170908 /nfs/dbraw/zinc/17/09/08/387170908.db2.gz JYHYAPFUMLTJCN-LBPRGKRZSA-N 2 2 230.396 2.027 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423328862 387173045 /nfs/dbraw/zinc/17/30/45/387173045.db2.gz SMPACDBIMVKHNT-WPRPVWTQSA-N 2 2 240.372 2.145 20 0 BEADLP CC(C)C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccn1 ZINC000423331887 387177580 /nfs/dbraw/zinc/17/75/80/387177580.db2.gz UXXNEHWEANAIDK-DZGCQCFKSA-N 2 2 247.386 2.496 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423334848 387179965 /nfs/dbraw/zinc/17/99/65/387179965.db2.gz STAKSLXPJYIOHT-MNOVXSKESA-N 2 2 222.332 2.083 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423333669 387180305 /nfs/dbraw/zinc/18/03/05/387180305.db2.gz SBGFLHKRPJOVIK-LLVKDONJSA-N 2 2 233.359 2.176 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C[C@H]2CCCO2)c[nH+]1 ZINC000353363839 387188442 /nfs/dbraw/zinc/18/84/42/387188442.db2.gz NCJFOXHKWCONQS-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C[C@H]2CCCO2)c[nH+]1 ZINC000353363839 387188444 /nfs/dbraw/zinc/18/84/44/387188444.db2.gz NCJFOXHKWCONQS-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CCCC[C@@H](C[NH3+])N[C@@H](C)c1[nH+]ccn1CC ZINC000423303744 387136322 /nfs/dbraw/zinc/13/63/22/387136322.db2.gz XIRSIUFCMOXENE-RYUDHWBXSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1nccn1CC ZINC000423303744 387136326 /nfs/dbraw/zinc/13/63/26/387136326.db2.gz XIRSIUFCMOXENE-RYUDHWBXSA-N 2 2 238.379 2.071 20 0 BEADLP COC[C@H](C)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353443527 387202318 /nfs/dbraw/zinc/20/23/18/387202318.db2.gz CWNPAAHNDZUEDO-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP COC[C@H](C)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353443527 387202323 /nfs/dbraw/zinc/20/23/23/387202323.db2.gz CWNPAAHNDZUEDO-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(F)cc1 ZINC000423359115 387210058 /nfs/dbraw/zinc/21/00/58/387210058.db2.gz KGGOJPOTHMXNOV-UHIISALHSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])C2CCC2)o1 ZINC000423366447 387219456 /nfs/dbraw/zinc/21/94/56/387219456.db2.gz LNAKDYJGZDQPOD-TVQRCGJNSA-N 2 2 222.332 2.366 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(F)c1 ZINC000423368549 387221990 /nfs/dbraw/zinc/22/19/90/387221990.db2.gz RZBFLXNCLPLAMY-SUNKGSAMSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423368902 387222185 /nfs/dbraw/zinc/22/21/85/387222185.db2.gz NYPYROCPFZGMPL-YUMQZZPRSA-N 2 2 230.714 2.477 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423371266 387223591 /nfs/dbraw/zinc/22/35/91/387223591.db2.gz UYTYNZVEZBXIPM-DYEKYZERSA-N 2 2 247.386 2.293 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000423370590 387224063 /nfs/dbraw/zinc/22/40/63/387224063.db2.gz UJWMYNPOEBJCOL-KGYLQXTDSA-N 2 2 234.343 2.245 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)n1 ZINC000643497128 387226806 /nfs/dbraw/zinc/22/68/06/387226806.db2.gz YZBJZQGWPIDMIB-STQMWFEESA-N 2 2 233.359 2.101 20 0 BEADLP CC1(C)C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CO1 ZINC000417963408 387234165 /nfs/dbraw/zinc/23/41/65/387234165.db2.gz ICNXPMTYCADUEY-GFCCVEGCSA-N 2 2 249.358 2.041 20 0 BEADLP CC1(C)C[C@H]([NH2+]CCCNc2cccc[nH+]2)CO1 ZINC000417963412 387235779 /nfs/dbraw/zinc/23/57/79/387235779.db2.gz ICNXPMTYCADUEY-LBPRGKRZSA-N 2 2 249.358 2.041 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cs1 ZINC000423408291 387244500 /nfs/dbraw/zinc/24/45/00/387244500.db2.gz XEWKTJCQVFVAPT-YWVKMMECSA-N 2 2 239.388 2.100 20 0 BEADLP CC[N@H+](CCCO)CCCc1ccc(C)[nH+]c1 ZINC000353650014 387247492 /nfs/dbraw/zinc/24/74/92/387247492.db2.gz NAPVWCHFNSZRPP-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CC[N@@H+](CCCO)CCCc1ccc(C)[nH+]c1 ZINC000353650014 387247497 /nfs/dbraw/zinc/24/74/97/387247497.db2.gz NAPVWCHFNSZRPP-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1F ZINC000423418853 387248750 /nfs/dbraw/zinc/24/87/50/387248750.db2.gz AIDRZZZROQRQLU-UZGDPCLZSA-N 2 2 234.318 2.084 20 0 BEADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)s1 ZINC000423423277 387250946 /nfs/dbraw/zinc/25/09/46/387250946.db2.gz DTZKPQJMBDZBDB-LEQIOUOKSA-N 2 2 242.775 2.270 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH2+]CC2)c(C)s1 ZINC000643496186 387196542 /nfs/dbraw/zinc/19/65/42/387196542.db2.gz NRHRVTINIADKCI-MRVPVSSYSA-N 2 2 239.388 2.163 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(C)C1)CCC2 ZINC000336484561 387312106 /nfs/dbraw/zinc/31/21/06/387312106.db2.gz NVNRSIIWFGEQLN-YXMLORGKSA-N 2 2 233.359 2.457 20 0 BEADLP Cc1occc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000320972574 387319039 /nfs/dbraw/zinc/31/90/39/387319039.db2.gz OWVXTPGBJALNKZ-UHFFFAOYSA-N 2 2 233.315 2.355 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1OC ZINC000423464202 387312326 /nfs/dbraw/zinc/31/23/26/387312326.db2.gz LXZCOIYIUUFWEN-YPMHNXCESA-N 2 2 236.359 2.473 20 0 BEADLP C[NH2+][C@H](C)C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423376460 387256290 /nfs/dbraw/zinc/25/62/90/387256290.db2.gz ATDBBIQQZZBDNT-GPCCPHFNSA-N 2 2 236.334 2.257 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423383383 387265540 /nfs/dbraw/zinc/26/55/40/387265540.db2.gz PPBXZIBBOHFLOR-AGIUHOORSA-N 2 2 233.359 2.181 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cn1 ZINC000423387304 387270621 /nfs/dbraw/zinc/27/06/21/387270621.db2.gz RXWAGRWTMCZMPV-JFGNBEQYSA-N 2 2 237.322 2.012 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cn1 ZINC000423387303 387272175 /nfs/dbraw/zinc/27/21/75/387272175.db2.gz RXWAGRWTMCZMPV-FOGDFJRCSA-N 2 2 237.322 2.012 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000423389975 387274402 /nfs/dbraw/zinc/27/44/02/387274402.db2.gz VLTKVCCTIULERM-MNOVXSKESA-N 2 2 224.323 2.474 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423388759 387274560 /nfs/dbraw/zinc/27/45/60/387274560.db2.gz ISWURMCLECZZHJ-RCOVLWMOSA-N 2 2 244.260 2.028 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000423393582 387278727 /nfs/dbraw/zinc/27/87/27/387278727.db2.gz YVHWVIALIDOYNZ-NEPJUHHUSA-N 2 2 236.359 2.344 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH2+]C)c1ccccc1OC ZINC000423394162 387281457 /nfs/dbraw/zinc/28/14/57/387281457.db2.gz PXWORPKKFCMBCU-WCQYABFASA-N 2 2 236.359 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)n1C ZINC000514734382 387282719 /nfs/dbraw/zinc/28/27/19/387282719.db2.gz DDTBSHMXYBFYAL-JQWIXIFHSA-N 2 2 221.348 2.254 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423438082 387287978 /nfs/dbraw/zinc/28/79/78/387287978.db2.gz GRZWFWSIHWVFGY-PRJMDXOYSA-N 2 2 246.276 2.490 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423438080 387288181 /nfs/dbraw/zinc/28/81/81/387288181.db2.gz GRZWFWSIHWVFGY-CSMHCCOUSA-N 2 2 246.276 2.490 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423438188 387288955 /nfs/dbraw/zinc/28/89/55/387288955.db2.gz GYCGKSXRKADEEQ-HLTSFMKQSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@H](C)[NH3+] ZINC000423449547 387297288 /nfs/dbraw/zinc/29/72/88/387297288.db2.gz RTXIZCRHWNXENK-YIZRAAEISA-N 2 2 228.286 2.351 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423449545 387297899 /nfs/dbraw/zinc/29/78/99/387297899.db2.gz RTXIZCRHWNXENK-HLTSFMKQSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423451890 387299761 /nfs/dbraw/zinc/29/97/61/387299761.db2.gz VQZLESQPQBJTLK-VGMNWLOBSA-N 2 2 227.739 2.121 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423456901 387303358 /nfs/dbraw/zinc/30/33/58/387303358.db2.gz DWHQWNNRAPVXSY-JQWIXIFHSA-N 2 2 221.348 2.032 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423455815 387303526 /nfs/dbraw/zinc/30/35/26/387303526.db2.gz CXSWYYTXMUGEAG-UFBFGSQYSA-N 2 2 228.286 2.353 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000233822468 387304562 /nfs/dbraw/zinc/30/45/62/387304562.db2.gz XJFFELBOWWOWGC-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000233822272 387305233 /nfs/dbraw/zinc/30/52/33/387305233.db2.gz XJFFELBOWWOWGC-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000643501438 387354735 /nfs/dbraw/zinc/35/47/35/387354735.db2.gz GRWFNPRWGUFGSI-KOLCDFICSA-N 2 2 239.388 2.244 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423523840 387355089 /nfs/dbraw/zinc/35/50/89/387355089.db2.gz NTKULHLYFHIGJQ-GJZGRUSLSA-N 2 2 248.370 2.106 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cncs1 ZINC000423526915 387355711 /nfs/dbraw/zinc/35/57/11/387355711.db2.gz LWVPKRUFKMCPKV-GXSJLCMTSA-N 2 2 239.388 2.311 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2(O)CCCC2)c[nH+]1 ZINC000354335728 387362362 /nfs/dbraw/zinc/36/23/62/387362362.db2.gz UHYGCMGPXSRSBN-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH+](C)C ZINC000287098098 387371542 /nfs/dbraw/zinc/37/15/42/387371542.db2.gz PWHVWTURUPQWQW-BXUZGUMPSA-N 2 2 218.344 2.071 20 0 BEADLP CC[C@@H](COC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354421562 387374570 /nfs/dbraw/zinc/37/45/70/387374570.db2.gz RPGRLMQDFXKXOQ-AWEZNQCLSA-N 2 2 236.359 2.337 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556871 387374631 /nfs/dbraw/zinc/37/46/31/387374631.db2.gz MVDZZLYXSHCZAD-TZMCWYRMSA-N 2 2 247.386 2.437 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556866 387374704 /nfs/dbraw/zinc/37/47/04/387374704.db2.gz MVDZZLYXSHCZAD-GXTWGEPZSA-N 2 2 247.386 2.437 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423472338 387319793 /nfs/dbraw/zinc/31/97/93/387319793.db2.gz QCXLBJRSJCDCCE-NWDGAFQWSA-N 2 2 236.359 2.392 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423483179 387329913 /nfs/dbraw/zinc/32/99/13/387329913.db2.gz SDBFHBNAXBUFIB-WFASDCNBSA-N 2 2 247.386 2.007 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423483179 387329916 /nfs/dbraw/zinc/32/99/16/387329916.db2.gz SDBFHBNAXBUFIB-WFASDCNBSA-N 2 2 247.386 2.007 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423484084 387329970 /nfs/dbraw/zinc/32/99/70/387329970.db2.gz YHSFJTZDGKLYFD-WPRPVWTQSA-N 2 2 227.739 2.123 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000235213009 387341359 /nfs/dbraw/zinc/34/13/59/387341359.db2.gz NHFXSDIDKPNQCY-GHMZBOCLSA-N 2 2 224.373 2.459 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)CC[NH+](C)C)c[nH+]1 ZINC000354180919 387342832 /nfs/dbraw/zinc/34/28/32/387342832.db2.gz JZDPZTWNNUBAFL-AWEZNQCLSA-N 3 2 249.402 2.252 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000515171273 387344205 /nfs/dbraw/zinc/34/42/05/387344205.db2.gz NCPYTFIAQIOCFZ-WCQYABFASA-N 2 2 248.374 2.234 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000515171273 387344209 /nfs/dbraw/zinc/34/42/09/387344209.db2.gz NCPYTFIAQIOCFZ-WCQYABFASA-N 2 2 248.374 2.234 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)[C@H]1C[C@@H]1C ZINC000321975896 387344827 /nfs/dbraw/zinc/34/48/27/387344827.db2.gz BSAJBYYPTYRDSB-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)[C@H]1C[C@@H]1C ZINC000321975896 387344832 /nfs/dbraw/zinc/34/48/32/387344832.db2.gz BSAJBYYPTYRDSB-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)n1 ZINC000643501225 387350640 /nfs/dbraw/zinc/35/06/40/387350640.db2.gz APLGUBXOIOXGSQ-TZMCWYRMSA-N 2 2 247.386 2.491 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)n1 ZINC000643505752 387453836 /nfs/dbraw/zinc/45/38/36/387453836.db2.gz FXUVCEXMVZQAQI-YPMHNXCESA-N 2 2 233.359 2.101 20 0 BEADLP CSC1(C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCC1 ZINC000304257934 387454936 /nfs/dbraw/zinc/45/49/36/387454936.db2.gz INRLTRNDXQGABC-LLVKDONJSA-N 2 2 242.432 2.344 20 0 BEADLP CSC1(C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCC1 ZINC000304257934 387454940 /nfs/dbraw/zinc/45/49/40/387454940.db2.gz INRLTRNDXQGABC-LLVKDONJSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000084574689 387456319 /nfs/dbraw/zinc/45/63/19/387456319.db2.gz GZZDHASKLQVODJ-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccncc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000361411875 387457001 /nfs/dbraw/zinc/45/70/01/387457001.db2.gz CMSAPRLVSLKYCA-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccncc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000361411875 387457007 /nfs/dbraw/zinc/45/70/07/387457007.db2.gz CMSAPRLVSLKYCA-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccncc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000361411875 387457012 /nfs/dbraw/zinc/45/70/12/387457012.db2.gz CMSAPRLVSLKYCA-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccncc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000361411875 387457015 /nfs/dbraw/zinc/45/70/15/387457015.db2.gz CMSAPRLVSLKYCA-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)CCO1 ZINC000648485755 387386704 /nfs/dbraw/zinc/38/67/04/387386704.db2.gz BTKJVRFBILIQQM-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000336565704 387391791 /nfs/dbraw/zinc/39/17/91/387391791.db2.gz RIPQMFVFXCBMIU-PWSUYJOCSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000336565704 387391792 /nfs/dbraw/zinc/39/17/92/387391792.db2.gz RIPQMFVFXCBMIU-PWSUYJOCSA-N 2 2 242.326 2.013 20 0 BEADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000354588793 387399132 /nfs/dbraw/zinc/39/91/32/387399132.db2.gz XASVIBABXMCVQJ-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCOC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354638840 387409982 /nfs/dbraw/zinc/40/99/82/387409982.db2.gz VNLHMJGFDZKTDV-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP C/C=C/C[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354654403 387411484 /nfs/dbraw/zinc/41/14/84/387411484.db2.gz FSXRESOVJBQJHU-NHZBNJEXSA-N 2 2 248.370 2.239 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000643509082 387505325 /nfs/dbraw/zinc/50/53/25/387505325.db2.gz KWDDXEZWIVGKIE-RBSFLKMASA-N 2 2 248.370 2.234 20 0 BEADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000122480821 387533672 /nfs/dbraw/zinc/53/36/72/387533672.db2.gz CYLIVZFJQQALKJ-OLZOCXBDSA-N 2 2 242.432 2.202 20 0 BEADLP FC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000527220166 387535673 /nfs/dbraw/zinc/53/56/73/387535673.db2.gz FNLHIDCJIQXAKU-ZDUSSCGKSA-N 2 2 240.366 2.439 20 0 BEADLP FC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000527220166 387535677 /nfs/dbraw/zinc/53/56/77/387535677.db2.gz FNLHIDCJIQXAKU-ZDUSSCGKSA-N 2 2 240.366 2.439 20 0 BEADLP C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000527220056 387536171 /nfs/dbraw/zinc/53/61/71/387536171.db2.gz RQXBENSFSZHNFW-RYUDHWBXSA-N 2 2 237.322 2.268 20 0 BEADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2(F)CC2)C1 ZINC000527219398 387538533 /nfs/dbraw/zinc/53/85/33/387538533.db2.gz WUWBHSYVJPIPOJ-CYBMUJFWSA-N 2 2 240.366 2.152 20 0 BEADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2(F)CC2)C1 ZINC000527219398 387538538 /nfs/dbraw/zinc/53/85/38/387538538.db2.gz WUWBHSYVJPIPOJ-CYBMUJFWSA-N 2 2 240.366 2.152 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527219398 387538540 /nfs/dbraw/zinc/53/85/40/387538540.db2.gz WUWBHSYVJPIPOJ-CYBMUJFWSA-N 2 2 240.366 2.152 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000527219398 387538543 /nfs/dbraw/zinc/53/85/43/387538543.db2.gz WUWBHSYVJPIPOJ-CYBMUJFWSA-N 2 2 240.366 2.152 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506008 387463297 /nfs/dbraw/zinc/46/32/97/387463297.db2.gz HLTKGXTUVYSNAY-ZDUSSCGKSA-N 2 2 232.371 2.268 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506308 387465348 /nfs/dbraw/zinc/46/53/48/387465348.db2.gz RIXQDDDUUGNVIG-LLVKDONJSA-N 2 2 236.334 2.098 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506208 387465736 /nfs/dbraw/zinc/46/57/36/387465736.db2.gz OMHPAKCOMPNDQD-OAHLLOKOSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000643506227 387466077 /nfs/dbraw/zinc/46/60/77/387466077.db2.gz PDBCPLLLZMNSGD-JTQLQIEISA-N 2 2 222.307 2.228 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506025 387466449 /nfs/dbraw/zinc/46/64/49/387466449.db2.gz IBNNCURKQMJUQO-AWEZNQCLSA-N 2 2 234.318 2.155 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccnc1 ZINC000643507271 387475338 /nfs/dbraw/zinc/47/53/38/387475338.db2.gz XUHDFFYWGKRXRK-CQSZACIVSA-N 2 2 233.359 2.120 20 0 BEADLP Cc1occc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000643472217 387484855 /nfs/dbraw/zinc/48/48/55/387484855.db2.gz IEBJQCVISCIURP-MFKMUULPSA-N 2 2 222.332 2.208 20 0 BEADLP CO[C@@H]1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000355142388 387487760 /nfs/dbraw/zinc/48/77/60/387487760.db2.gz XZODDLWADMNTCZ-LSDHHAIUSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+](C)C1CC1 ZINC000122195471 387490821 /nfs/dbraw/zinc/49/08/21/387490821.db2.gz QKCLWWLTCVUZEY-OLZOCXBDSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+](C)C1CC1 ZINC000122195471 387490825 /nfs/dbraw/zinc/49/08/25/387490825.db2.gz QKCLWWLTCVUZEY-OLZOCXBDSA-N 2 2 222.376 2.415 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000211644004 387588466 /nfs/dbraw/zinc/58/84/66/387588466.db2.gz DHSZFVKSSQZHKE-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000211644004 387588470 /nfs/dbraw/zinc/58/84/70/387588470.db2.gz DHSZFVKSSQZHKE-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP c1cn(CC[NH2+]Cc2cc3ccccc3o2)c[nH+]1 ZINC000041063697 387589617 /nfs/dbraw/zinc/58/96/17/387589617.db2.gz LQPFVHUAUAPURS-UHFFFAOYSA-N 2 2 241.294 2.419 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000643511209 387591735 /nfs/dbraw/zinc/59/17/35/387591735.db2.gz QAINGAXJOWVZLV-MWLCHTKSSA-N 2 2 241.404 2.476 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(C)s1 ZINC000643513129 387597200 /nfs/dbraw/zinc/59/72/00/387597200.db2.gz KTASWLZMKSNGEV-ZETCQYMHSA-N 2 2 227.377 2.148 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)s1 ZINC000643512743 387597370 /nfs/dbraw/zinc/59/73/70/387597370.db2.gz WRBMMFBYUKSZAT-RDDDGLTNSA-N 2 2 239.388 2.148 20 0 BEADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc(C2CC2)c1 ZINC000422554020 387599140 /nfs/dbraw/zinc/59/91/40/387599140.db2.gz LHWFLXRRPLWTIY-CQSZACIVSA-N 2 2 216.328 2.016 20 0 BEADLP CC1=C[C@@H](C)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000430285107 387609367 /nfs/dbraw/zinc/60/93/67/387609367.db2.gz QXNFZUOSMAXJTA-GFCCVEGCSA-N 2 2 219.332 2.171 20 0 BEADLP CC1=C[C@@H](C)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000430285107 387609371 /nfs/dbraw/zinc/60/93/71/387609371.db2.gz QXNFZUOSMAXJTA-GFCCVEGCSA-N 2 2 219.332 2.171 20 0 BEADLP FCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375710720 387570569 /nfs/dbraw/zinc/57/05/69/387570569.db2.gz MSEZSZVYAPKRDL-UHFFFAOYSA-N 2 2 225.311 2.339 20 0 BEADLP CCc1cccc(OCC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000430595299 387631358 /nfs/dbraw/zinc/63/13/58/387631358.db2.gz XFOZPFHXYRQUBY-AWEZNQCLSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cccc(OCC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000430595299 387631364 /nfs/dbraw/zinc/63/13/64/387631364.db2.gz XFOZPFHXYRQUBY-AWEZNQCLSA-N 2 2 248.370 2.051 20 0 BEADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430621239 387635108 /nfs/dbraw/zinc/63/51/08/387635108.db2.gz CMAPRKXAQURWQC-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC000430621239 387635111 /nfs/dbraw/zinc/63/51/11/387635111.db2.gz CMAPRKXAQURWQC-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430642858 387635506 /nfs/dbraw/zinc/63/55/06/387635506.db2.gz LBUKNEMRRCHGFP-CQSZACIVSA-N 2 2 247.386 2.066 20 0 BEADLP CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430642858 387635510 /nfs/dbraw/zinc/63/55/10/387635510.db2.gz LBUKNEMRRCHGFP-CQSZACIVSA-N 2 2 247.386 2.066 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422730413 387638884 /nfs/dbraw/zinc/63/88/84/387638884.db2.gz DWBCGVJHVRYVSP-JSGCOSHPSA-N 2 2 248.370 2.173 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422730412 387638888 /nfs/dbraw/zinc/63/88/88/387638888.db2.gz DWBCGVJHVRYVSP-GXTWGEPZSA-N 2 2 248.370 2.173 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000527632703 387642907 /nfs/dbraw/zinc/64/29/07/387642907.db2.gz RVNCAMVEDDZEFF-WXHSDQCUSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422747833 387650532 /nfs/dbraw/zinc/65/05/32/387650532.db2.gz RAAYXRJCDJKHMO-MBNYWOFBSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000422747934 387652887 /nfs/dbraw/zinc/65/28/87/387652887.db2.gz RFADLXGOFYVZLI-SWLSCSKDSA-N 2 2 244.338 2.328 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1C[NH2+]C1 ZINC000422748102 387653049 /nfs/dbraw/zinc/65/30/49/387653049.db2.gz RZGSADJSMLZMNE-BDAKNGLRSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCOC1CCCCCC1 ZINC000430960868 387665680 /nfs/dbraw/zinc/66/56/80/387665680.db2.gz AIGWIBNLAFZENS-GFCCVEGCSA-N 2 2 228.380 2.005 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCOC1CCCCCC1 ZINC000430960868 387665683 /nfs/dbraw/zinc/66/56/83/387665683.db2.gz AIGWIBNLAFZENS-GFCCVEGCSA-N 2 2 228.380 2.005 20 0 BEADLP CC[C@H]([NH2+]Cc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422773710 387669488 /nfs/dbraw/zinc/66/94/88/387669488.db2.gz URHWRDKHLLMLRO-GJZGRUSLSA-N 2 2 248.370 2.315 20 0 BEADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1C ZINC000422771027 387671183 /nfs/dbraw/zinc/67/11/83/387671183.db2.gz XKCWUEHUZNQYGX-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000126487419 387685406 /nfs/dbraw/zinc/68/54/06/387685406.db2.gz IJCGIPFSZWGPGO-RYUDHWBXSA-N 2 2 222.332 2.018 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000126487419 387685413 /nfs/dbraw/zinc/68/54/13/387685413.db2.gz IJCGIPFSZWGPGO-RYUDHWBXSA-N 2 2 222.332 2.018 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@@H+]1C1CC1 ZINC000527750673 387691528 /nfs/dbraw/zinc/69/15/28/387691528.db2.gz NIHQIQFYBGDWDH-WCQYABFASA-N 2 2 220.360 2.167 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@H+]1C1CC1 ZINC000527750673 387691532 /nfs/dbraw/zinc/69/15/32/387691532.db2.gz NIHQIQFYBGDWDH-WCQYABFASA-N 2 2 220.360 2.167 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422791044 387692589 /nfs/dbraw/zinc/69/25/89/387692589.db2.gz VGUAHWSHCWKKOQ-DOMZBBRYSA-N 2 2 232.371 2.337 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000440778421 387692532 /nfs/dbraw/zinc/69/25/32/387692532.db2.gz KLRXMEBZWWABLY-LLVKDONJSA-N 2 2 225.311 2.268 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC000440777845 387693624 /nfs/dbraw/zinc/69/36/24/387693624.db2.gz XRHNNRFHGLTIIG-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC000440777845 387693630 /nfs/dbraw/zinc/69/36/30/387693630.db2.gz XRHNNRFHGLTIIG-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC000440777845 387693633 /nfs/dbraw/zinc/69/36/33/387693633.db2.gz XRHNNRFHGLTIIG-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](F)CC)C1 ZINC000440777845 387693648 /nfs/dbraw/zinc/69/36/48/387693648.db2.gz XRHNNRFHGLTIIG-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000222012326 387747775 /nfs/dbraw/zinc/74/77/75/387747775.db2.gz IVQJMUBHCZGMHG-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000222012326 387747780 /nfs/dbraw/zinc/74/77/80/387747780.db2.gz IVQJMUBHCZGMHG-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)C2 ZINC000377803425 387749789 /nfs/dbraw/zinc/74/97/89/387749789.db2.gz WIBXDXAYAGQEBZ-IRCOFANPSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000377803425 387749799 /nfs/dbraw/zinc/74/97/99/387749799.db2.gz WIBXDXAYAGQEBZ-IRCOFANPSA-N 2 2 231.343 2.045 20 0 BEADLP COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422803685 387703227 /nfs/dbraw/zinc/70/32/27/387703227.db2.gz GEPXCLMGISZWRU-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422806961 387704217 /nfs/dbraw/zinc/70/42/17/387704217.db2.gz JDADAZKPMFIQKT-GJZGRUSLSA-N 2 2 230.355 2.398 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000377269251 387707571 /nfs/dbraw/zinc/70/75/71/387707571.db2.gz WWXUVQZAZLVRFB-ZPMKCOPCSA-N 2 2 216.756 2.155 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000377269251 387707576 /nfs/dbraw/zinc/70/75/76/387707576.db2.gz WWXUVQZAZLVRFB-ZPMKCOPCSA-N 2 2 216.756 2.155 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000643521132 387710298 /nfs/dbraw/zinc/71/02/98/387710298.db2.gz FZMFPHLYKMEXAA-YWVKMMECSA-N 2 2 239.388 2.100 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643521198 387711611 /nfs/dbraw/zinc/71/16/11/387711611.db2.gz SCHJXUFBLDXUFW-MRVWCRGKSA-N 2 2 245.370 2.047 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)s1 ZINC000643525971 387755315 /nfs/dbraw/zinc/75/53/15/387755315.db2.gz KYPNTHSELMALGR-NKWVEPMBSA-N 2 2 218.753 2.399 20 0 BEADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccn1 ZINC000527807975 387732349 /nfs/dbraw/zinc/73/23/49/387732349.db2.gz OLVKUIMOVZTYGZ-HNNXBMFYSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000527807975 387732356 /nfs/dbraw/zinc/73/23/56/387732356.db2.gz OLVKUIMOVZTYGZ-HNNXBMFYSA-N 2 2 245.370 2.188 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527864247 387736783 /nfs/dbraw/zinc/73/67/83/387736783.db2.gz KNTGCUMAQSMBGS-JHJVBQTASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527864247 387736789 /nfs/dbraw/zinc/73/67/89/387736789.db2.gz KNTGCUMAQSMBGS-JHJVBQTASA-N 2 2 222.376 2.106 20 0 BEADLP CC1(C)CC[C@H]([N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000367665347 387741657 /nfs/dbraw/zinc/74/16/57/387741657.db2.gz LAPVWJJLBAJCQS-ZDUSSCGKSA-N 2 2 222.376 2.345 20 0 BEADLP CC1(C)CC[C@H]([N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000367665347 387741662 /nfs/dbraw/zinc/74/16/62/387741662.db2.gz LAPVWJJLBAJCQS-ZDUSSCGKSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000643526061 387756165 /nfs/dbraw/zinc/75/61/65/387756165.db2.gz OKSBKHMHNLPSAE-GZMMTYOYSA-N 2 2 240.347 2.299 20 0 BEADLP Cc1ccc([C@H]([NH2+]C[C@H](C)[NH3+])C2CCC2)o1 ZINC000643528000 387761623 /nfs/dbraw/zinc/76/16/23/387761623.db2.gz XDYXVDRAMSOUSX-TVQRCGJNSA-N 2 2 222.332 2.366 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000643527331 387763667 /nfs/dbraw/zinc/76/36/67/387763667.db2.gz KYVSJJDEMMQUCV-SFYZADRCSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000643528306 387766903 /nfs/dbraw/zinc/76/69/03/387766903.db2.gz GTVILBYZXBIQQE-MNOVXSKESA-N 2 2 229.327 2.233 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643529153 387769261 /nfs/dbraw/zinc/76/92/61/387769261.db2.gz WAEDFLYUWYNYGZ-AAEUAGOBSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000643528853 387771674 /nfs/dbraw/zinc/77/16/74/387771674.db2.gz QFGAXCFGGRWANE-BQBZGAKWSA-N 2 2 232.249 2.102 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000643529706 387777538 /nfs/dbraw/zinc/77/75/38/387777538.db2.gz PHUATQWIPYBCSB-MUWHJKNJSA-N 2 2 244.260 2.028 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527942035 387781692 /nfs/dbraw/zinc/78/16/92/387781692.db2.gz APHRRBBWKPBFLN-FZMZJTMJSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527942035 387781697 /nfs/dbraw/zinc/78/16/97/387781697.db2.gz APHRRBBWKPBFLN-FZMZJTMJSA-N 2 2 220.360 2.025 20 0 BEADLP CO[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049574990 387786358 /nfs/dbraw/zinc/78/63/58/387786358.db2.gz JSNMUIRTQUXWPA-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cc(C)cc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000049900365 387788036 /nfs/dbraw/zinc/78/80/36/387788036.db2.gz AJIKCCIKNMGIGX-UHFFFAOYSA-N 2 2 232.371 2.489 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC1=CCCC1 ZINC000645842324 387796381 /nfs/dbraw/zinc/79/63/81/387796381.db2.gz DRGPEBLTOVCZEM-UHFFFAOYSA-N 2 2 219.332 2.315 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC1=CCCC1 ZINC000645842324 387796385 /nfs/dbraw/zinc/79/63/85/387796385.db2.gz DRGPEBLTOVCZEM-UHFFFAOYSA-N 2 2 219.332 2.315 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422997436 387802940 /nfs/dbraw/zinc/80/29/40/387802940.db2.gz BANCUGRXTMUJHJ-IUODEOHRSA-N 2 2 248.370 2.091 20 0 BEADLP COc1cc[nH+]c(NCc2c[nH+]cn2C(C)C)c1 ZINC000424153056 387805294 /nfs/dbraw/zinc/80/52/94/387805294.db2.gz HSIOYJCLGNEWOD-UHFFFAOYSA-N 2 2 246.314 2.480 20 0 BEADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643527063 387761227 /nfs/dbraw/zinc/76/12/27/387761227.db2.gz CPNBSMLAVXXBPL-BDAKNGLRSA-N 2 2 239.388 2.020 20 0 BEADLP C[C@@H](CNc1[nH+]ccc2cc(F)ccc21)[NH+](C)C ZINC000564079880 387820579 /nfs/dbraw/zinc/82/05/79/387820579.db2.gz PLFHTVNGGKIMDO-JTQLQIEISA-N 2 2 247.317 2.158 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cncc(C)c2)CC1 ZINC000442673475 387820748 /nfs/dbraw/zinc/82/07/48/387820748.db2.gz SFWGLLTYDIRGBB-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cncc(C)c2)CC1 ZINC000442673475 387820757 /nfs/dbraw/zinc/82/07/57/387820757.db2.gz SFWGLLTYDIRGBB-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cncc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423008979 387831390 /nfs/dbraw/zinc/83/13/90/387831390.db2.gz BLNFIHQCGHHKRX-GXTWGEPZSA-N 2 2 233.359 2.010 20 0 BEADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]([NH3+])CC(C)C)n1 ZINC000442752240 387833904 /nfs/dbraw/zinc/83/39/04/387833904.db2.gz SEWRAGFYEGIXHI-ZJUUUORDSA-N 2 2 240.351 2.161 20 0 BEADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCC[NH2+]1 ZINC000423012009 387836789 /nfs/dbraw/zinc/83/67/89/387836789.db2.gz JYBHKOIZXOFCHL-CABCVRRESA-N 3 2 247.386 2.053 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423014110 387836827 /nfs/dbraw/zinc/83/68/27/387836827.db2.gz OHNPXPQKGPCWDU-LSDHHAIUSA-N 3 2 247.386 2.040 20 0 BEADLP CC(C)c1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423051308 387860451 /nfs/dbraw/zinc/86/04/51/387860451.db2.gz NBKNKTGYWMJQNK-AWEZNQCLSA-N 2 2 218.344 2.262 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643535816 387865248 /nfs/dbraw/zinc/86/52/48/387865248.db2.gz JPHUAVKBSXKIBN-WXHSDQCUSA-N 2 2 222.307 2.037 20 0 BEADLP Cc1cccc(NC2CC[NH+](C[C@@H](C)[NH3+])CC2)c1 ZINC000442656165 387813740 /nfs/dbraw/zinc/81/37/40/387813740.db2.gz DWCBQPQLZSNPNP-CYBMUJFWSA-N 2 2 247.386 2.219 20 0 BEADLP CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423115464 387895391 /nfs/dbraw/zinc/89/53/91/387895391.db2.gz XYWNLBOEOFFCGH-VLEAKVRGSA-N 2 2 232.318 2.150 20 0 BEADLP CC[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)[C@@H]1CCC[NH2+]1 ZINC000423163712 387895807 /nfs/dbraw/zinc/89/58/07/387895807.db2.gz RNEYLNWTJYOVBN-CYDGBPFRSA-N 2 2 248.374 2.009 20 0 BEADLP CC[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)[C@@H]1CCC[NH2+]1 ZINC000423163714 387896357 /nfs/dbraw/zinc/89/63/57/387896357.db2.gz RNEYLNWTJYOVBN-VOAKCMCISA-N 2 2 248.374 2.009 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccs1 ZINC000643537274 387875924 /nfs/dbraw/zinc/87/59/24/387875924.db2.gz CGGMDHZSVYQFRT-GUBZILKMSA-N 2 2 228.336 2.099 20 0 BEADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423076820 387875959 /nfs/dbraw/zinc/87/59/59/387875959.db2.gz ZWLCKZZMFDUTJJ-MJBXVCDLSA-N 2 2 246.354 2.288 20 0 BEADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538275 387878247 /nfs/dbraw/zinc/87/82/47/387878247.db2.gz DJURRCDCUVPNLW-XUXIUFHCSA-N 2 2 242.382 2.491 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423095179 387884938 /nfs/dbraw/zinc/88/49/38/387884938.db2.gz DMQMHNNKIOIYCR-WDEREUQCSA-N 2 2 236.384 2.421 20 0 BEADLP Cc1ccc(F)c(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000444741457 387918385 /nfs/dbraw/zinc/91/83/85/387918385.db2.gz URURXKHXIJDZQF-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP Cc1ccc(F)c(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000444741457 387918390 /nfs/dbraw/zinc/91/83/90/387918390.db2.gz URURXKHXIJDZQF-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP C[C@@H](CCC[NH3+])[NH2+][C@H](C1CC1)C(F)(F)F ZINC000423133147 387910164 /nfs/dbraw/zinc/91/01/64/387910164.db2.gz VNVMJSQBDKZATO-IONNQARKSA-N 2 2 224.270 2.044 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100501 387931443 /nfs/dbraw/zinc/93/14/43/387931443.db2.gz AYRDRDBTRQEMJP-BXUZGUMPSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100501 387931449 /nfs/dbraw/zinc/93/14/49/387931449.db2.gz AYRDRDBTRQEMJP-BXUZGUMPSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CCCC[NH2+]1 ZINC000423145456 387923578 /nfs/dbraw/zinc/92/35/78/387923578.db2.gz KSDWYZUYKYSVRO-FVCCEPFGSA-N 2 2 228.355 2.387 20 0 BEADLP CC[C@H]([NH2+]Cc1ccnc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423160870 387940996 /nfs/dbraw/zinc/94/09/96/387940996.db2.gz RAEBUQLACACXAX-KBPBESRZSA-N 2 2 233.359 2.010 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[NH3+])c2ccccc2O1 ZINC000423165452 387948608 /nfs/dbraw/zinc/94/86/08/387948608.db2.gz XYQCQQNFOBPDOV-FMKGYKFTSA-N 2 2 246.354 2.368 20 0 BEADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423178363 387964307 /nfs/dbraw/zinc/96/43/07/387964307.db2.gz BWTIKFSTULIDMA-KBPBESRZSA-N 2 2 233.359 2.264 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423177135 387964766 /nfs/dbraw/zinc/96/47/66/387964766.db2.gz AJBCPYKLBBZPDX-UONOGXRCSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400473833 387966063 /nfs/dbraw/zinc/96/60/63/387966063.db2.gz ZARKRKMVHFMGLL-GLQYFDAESA-N 2 2 230.355 2.404 20 0 BEADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423180895 387968571 /nfs/dbraw/zinc/96/85/71/387968571.db2.gz KRHRAMPZIKAVMC-SECBINFHSA-N 2 2 242.750 2.348 20 0 BEADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC[NH3+] ZINC000423180896 387968620 /nfs/dbraw/zinc/96/86/20/387968620.db2.gz KRHRAMPZIKAVMC-VIFPVBQESA-N 2 2 242.750 2.348 20 0 BEADLP CC[C@H]([NH2+]CC[NH3+])c1cc(Cl)ccc1OC ZINC000423184153 387969348 /nfs/dbraw/zinc/96/93/48/387969348.db2.gz NBJONNVOIWCXDB-NSHDSACASA-N 2 2 242.750 2.348 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319105 387969967 /nfs/dbraw/zinc/96/99/67/387969967.db2.gz DRMCLQRKNVGESC-AQNFWKISSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319105 387969972 /nfs/dbraw/zinc/96/99/72/387969972.db2.gz DRMCLQRKNVGESC-AQNFWKISSA-N 2 2 234.387 2.247 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453079021 387980241 /nfs/dbraw/zinc/98/02/41/387980241.db2.gz OAMCKZIQADYUKF-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453079021 387980243 /nfs/dbraw/zinc/98/02/43/387980243.db2.gz OAMCKZIQADYUKF-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@@H]1CC[N@H+](CCCF)C[C@H]1n1cc[nH+]c1 ZINC000245748583 387980470 /nfs/dbraw/zinc/98/04/70/387980470.db2.gz YNOPWPZFEVILRH-VXGBXAGGSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCF)C[C@H]1n1cc[nH+]c1 ZINC000245748583 387980475 /nfs/dbraw/zinc/98/04/75/387980475.db2.gz YNOPWPZFEVILRH-VXGBXAGGSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000423195088 387980555 /nfs/dbraw/zinc/98/05/55/387980555.db2.gz XOQAXQINRGBKRX-FVCCEPFGSA-N 2 2 234.343 2.256 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423196185 387981809 /nfs/dbraw/zinc/98/18/09/387981809.db2.gz UTBRYLKIWFNNCB-DZGCQCFKSA-N 2 2 248.370 2.488 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423190452 387975290 /nfs/dbraw/zinc/97/52/90/387975290.db2.gz SHOKHZWZUKZBMU-SECBINFHSA-N 2 2 210.346 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423192525 387977772 /nfs/dbraw/zinc/97/77/72/387977772.db2.gz VRBDNKXZNZZLMB-SSDOTTSWSA-N 2 2 248.248 2.036 20 0 BEADLP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423202289 387988354 /nfs/dbraw/zinc/98/83/54/387988354.db2.gz QQBKLVOIMSOYDQ-VIFPVBQESA-N 2 2 228.286 2.225 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000423202932 387988968 /nfs/dbraw/zinc/98/89/68/387988968.db2.gz LNXJATJJKWHDJO-WCBMZHEXSA-N 2 2 239.388 2.026 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251825934 135077807 /nfs/dbraw/zinc/07/78/07/135077807.db2.gz NCZOFTCWJOIWLV-QNWHQSFQSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000423204952 387991934 /nfs/dbraw/zinc/99/19/34/387991934.db2.gz BBTMWALHROUXEE-MNOVXSKESA-N 2 2 210.346 2.151 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c(C)c1 ZINC000423208419 387993998 /nfs/dbraw/zinc/99/39/98/387993998.db2.gz DYYHYDRGKFNHTL-RYUDHWBXSA-N 2 2 234.343 2.016 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000453107617 387985485 /nfs/dbraw/zinc/98/54/85/387985485.db2.gz LPLCCLUBQQHBGJ-KGLIPLIRSA-N 2 2 249.402 2.333 20 0 BEADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000423199260 387985917 /nfs/dbraw/zinc/98/59/17/387985917.db2.gz BBLUVZJCUWCYNG-WCQYABFASA-N 2 2 236.746 2.279 20 0 BEADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000453107616 387986599 /nfs/dbraw/zinc/98/65/99/387986599.db2.gz LPLCCLUBQQHBGJ-KBPBESRZSA-N 2 2 249.402 2.333 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000423222300 388001187 /nfs/dbraw/zinc/00/11/87/388001187.db2.gz ANMHNHZTRKZRMB-GFCCVEGCSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000423222854 388003932 /nfs/dbraw/zinc/00/39/32/388003932.db2.gz CYNQEMZAXCQEHG-LBPRGKRZSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000423224391 388005865 /nfs/dbraw/zinc/00/58/65/388005865.db2.gz IWEFDXJDAFHJRU-GFCCVEGCSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000423225711 388007057 /nfs/dbraw/zinc/00/70/57/388007057.db2.gz NYXNFADPUWLFRD-CYBMUJFWSA-N 2 2 220.360 2.482 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]C)c1ccccc1 ZINC000423225620 388007948 /nfs/dbraw/zinc/00/79/48/388007948.db2.gz NMWYAJWNVWZBEL-ZDUSSCGKSA-N 2 2 206.333 2.337 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000423240524 388023915 /nfs/dbraw/zinc/02/39/15/388023915.db2.gz HJVRUNZYYAPTFG-LBPRGKRZSA-N 2 2 232.371 2.435 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000423241763 388024169 /nfs/dbraw/zinc/02/41/69/388024169.db2.gz IICTXRVLHYWGBR-JTQLQIEISA-N 2 2 239.388 2.028 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000423240520 388025053 /nfs/dbraw/zinc/02/50/53/388025053.db2.gz HIFAMCKAYDOMFF-SNVBAGLBSA-N 2 2 242.313 2.095 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423227379 388011343 /nfs/dbraw/zinc/01/13/43/388011343.db2.gz VMAQBDLNSFDMKL-ZDUSSCGKSA-N 2 2 234.343 2.018 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230449 388014945 /nfs/dbraw/zinc/01/49/45/388014945.db2.gz DPBKQPIJLFOKDK-WDEREUQCSA-N 2 2 224.373 2.459 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230133 388015211 /nfs/dbraw/zinc/01/52/11/388015211.db2.gz CQESDWQPEAZDQU-FZMZJTMJSA-N 2 2 246.354 2.024 20 0 BEADLP Fc1cncc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231422 388016471 /nfs/dbraw/zinc/01/64/71/388016471.db2.gz GRXRHNABLXEPEH-UONOGXRCSA-N 2 2 249.333 2.013 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423231913 388017017 /nfs/dbraw/zinc/01/70/17/388017017.db2.gz HLBDUQHYNKEVMX-KBPBESRZSA-N 2 2 233.359 2.120 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cs1 ZINC000423234404 388019198 /nfs/dbraw/zinc/01/91/98/388019198.db2.gz LSAPJLQEEWTSTQ-PWSUYJOCSA-N 2 2 224.373 2.459 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423235847 388021328 /nfs/dbraw/zinc/02/13/28/388021328.db2.gz BLLOLEVVNDNBPY-KOLCDFICSA-N 2 2 224.373 2.496 20 0 BEADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237180 388021512 /nfs/dbraw/zinc/02/15/12/388021512.db2.gz PLWGVBNKRCAESR-CFVMTHIKSA-N 2 2 248.370 2.104 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423237717 388021626 /nfs/dbraw/zinc/02/16/26/388021626.db2.gz DQLRZDKRJCBSEH-VIFPVBQESA-N 2 2 228.286 2.225 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423250542 388033274 /nfs/dbraw/zinc/03/32/74/388033274.db2.gz UHFPIOAXQWPPRO-CYBMUJFWSA-N 2 2 234.343 2.099 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccncc1 ZINC000423252298 388034482 /nfs/dbraw/zinc/03/44/82/388034482.db2.gz XJZHNYYDTCBJCR-SWLSCSKDSA-N 2 2 241.338 2.432 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252970 388034790 /nfs/dbraw/zinc/03/47/90/388034790.db2.gz YLOHXBZIOXVPMB-UONOGXRCSA-N 2 2 218.344 2.465 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423253417 388035476 /nfs/dbraw/zinc/03/54/76/388035476.db2.gz YYXBKVBUPUIIBJ-RISCZKNCSA-N 2 2 218.344 2.119 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1F ZINC000423259212 388038439 /nfs/dbraw/zinc/03/84/39/388038439.db2.gz DGTSUJIRJDEQOK-ZWNOBZJWSA-N 2 2 224.323 2.460 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cs1 ZINC000423262023 388039855 /nfs/dbraw/zinc/03/98/55/388039855.db2.gz LLMOZBKLBYGUGM-MWLCHTKSSA-N 2 2 241.404 2.476 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccnc1 ZINC000423261092 388040036 /nfs/dbraw/zinc/04/00/36/388040036.db2.gz IZGKJAZNEDIHPM-DGCLKSJQSA-N 2 2 221.348 2.106 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccncc1F ZINC000423262033 388041020 /nfs/dbraw/zinc/04/10/20/388041020.db2.gz LNCCBZMLHOLBHJ-GHMZBOCLSA-N 2 2 239.338 2.245 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@@H]1C ZINC000082837073 388042116 /nfs/dbraw/zinc/04/21/16/388042116.db2.gz DTISNIQKTVJDHZ-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423243443 388026765 /nfs/dbraw/zinc/02/67/65/388026765.db2.gz WMFRVPYEKPSMKM-SWLSCSKDSA-N 2 2 246.354 2.024 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000423248162 388029509 /nfs/dbraw/zinc/02/95/09/388029509.db2.gz QEPKPURJJSFWFJ-ZDUSSCGKSA-N 2 2 224.323 2.476 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccccc1C ZINC000423246270 388030262 /nfs/dbraw/zinc/03/02/62/388030262.db2.gz NFTKKXDKQHSABG-LBPRGKRZSA-N 2 2 206.333 2.255 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423246288 388030764 /nfs/dbraw/zinc/03/07/64/388030764.db2.gz NIEYVDJHDAWQII-VIFPVBQESA-N 2 2 228.286 2.225 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423249139 388031124 /nfs/dbraw/zinc/03/11/24/388031124.db2.gz RNQGQKVXRFYOBZ-CQSZACIVSA-N 2 2 236.334 2.402 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1C[C@H]1C ZINC000423250249 388031531 /nfs/dbraw/zinc/03/15/31/388031531.db2.gz QATDTXPXEXIFRH-UVLXDEKHSA-N 2 2 218.344 2.321 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2F ZINC000423249527 388031824 /nfs/dbraw/zinc/03/18/24/388031824.db2.gz SLXLAVSRMFLCBM-ZDUSSCGKSA-N 2 2 222.307 2.012 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423249234 388031977 /nfs/dbraw/zinc/03/19/77/388031977.db2.gz SAUPUZMCIACZOM-JTQLQIEISA-N 2 2 238.400 2.497 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271922 388051841 /nfs/dbraw/zinc/05/18/41/388051841.db2.gz HRHBVLJECYABOS-SCZZXKLOSA-N 2 2 240.372 2.145 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)o1 ZINC000423277163 388057888 /nfs/dbraw/zinc/05/78/88/388057888.db2.gz NTQMGPFHHPATBY-CABZTGNLSA-N 2 2 222.332 2.230 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)o1 ZINC000423277164 388058460 /nfs/dbraw/zinc/05/84/60/388058460.db2.gz NTQMGPFHHPATBY-JOYOIKCWSA-N 2 2 222.332 2.230 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)o1 ZINC000423278114 388060557 /nfs/dbraw/zinc/06/05/57/388060557.db2.gz PLAAYIKRPMAQFA-RNCFNFMXSA-N 2 2 222.332 2.284 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000453378419 388063998 /nfs/dbraw/zinc/06/39/98/388063998.db2.gz YDCFSQBHCHZUSN-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000453378419 388064001 /nfs/dbraw/zinc/06/40/01/388064001.db2.gz YDCFSQBHCHZUSN-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423285103 388069265 /nfs/dbraw/zinc/06/92/65/388069265.db2.gz YVVOUYQKUZVRQW-YPMHNXCESA-N 2 2 238.379 2.098 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423285101 388069304 /nfs/dbraw/zinc/06/93/04/388069304.db2.gz YVVOUYQKUZVRQW-DGCLKSJQSA-N 2 2 238.379 2.098 20 0 BEADLP CCC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccn1 ZINC000423288843 388072714 /nfs/dbraw/zinc/07/27/14/388072714.db2.gz VILIIBGFMVTZQJ-LLVKDONJSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402065 388073781 /nfs/dbraw/zinc/07/37/81/388073781.db2.gz PLVZCAVXFHSTIY-GXTWGEPZSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402065 388073784 /nfs/dbraw/zinc/07/37/84/388073784.db2.gz PLVZCAVXFHSTIY-GXTWGEPZSA-N 2 2 236.403 2.497 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423298353 388080403 /nfs/dbraw/zinc/08/04/03/388080403.db2.gz ODIGCBMZMNSSJX-ZYHUDNBSSA-N 2 2 239.338 2.389 20 0 BEADLP CCC1C[NH+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000453608850 388092276 /nfs/dbraw/zinc/09/22/76/388092276.db2.gz HSWBQPRFHOQOBS-UHFFFAOYSA-N 2 2 239.388 2.047 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447797577 388094033 /nfs/dbraw/zinc/09/40/33/388094033.db2.gz LKPFNNNWJGCOSI-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447797577 388094035 /nfs/dbraw/zinc/09/40/35/388094035.db2.gz LKPFNNNWJGCOSI-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000086727246 388107605 /nfs/dbraw/zinc/10/76/05/388107605.db2.gz HOHSUJUNAXSJJZ-KGLIPLIRSA-N 2 2 218.344 2.398 20 0 BEADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086727118 388107990 /nfs/dbraw/zinc/10/79/90/388107990.db2.gz TVEWPQPMTZPYOO-PWSUYJOCSA-N 2 2 236.384 2.421 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCCOCC1)[NH+](C)C ZINC000086870168 388109641 /nfs/dbraw/zinc/10/96/41/388109641.db2.gz SYLXBWDWPQEULY-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1OC ZINC000423267589 388046479 /nfs/dbraw/zinc/04/64/79/388046479.db2.gz CTUIJIYEYGQRCP-KGLIPLIRSA-N 2 2 248.370 2.473 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000449191986 388155573 /nfs/dbraw/zinc/15/55/73/388155573.db2.gz PZVCFHDVNANVLN-KWCYVHTRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000449191986 388155576 /nfs/dbraw/zinc/15/55/76/388155576.db2.gz PZVCFHDVNANVLN-KWCYVHTRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1CCC(COC)CC1 ZINC000449218657 388158117 /nfs/dbraw/zinc/15/81/17/388158117.db2.gz KKBQPWJHKGJTPG-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449259976 388163998 /nfs/dbraw/zinc/16/39/98/388163998.db2.gz UHBZDYMITGTBTM-YPMHNXCESA-N 2 2 245.326 2.012 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000449260208 388164015 /nfs/dbraw/zinc/16/40/15/388164015.db2.gz VIAWCKLWPRPJQL-CHWSQXEVSA-N 2 2 233.359 2.366 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449322364 388172473 /nfs/dbraw/zinc/17/24/73/388172473.db2.gz XFHNTRXAPBJWRK-XDQVBPFNSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449322364 388172475 /nfs/dbraw/zinc/17/24/75/388172475.db2.gz XFHNTRXAPBJWRK-XDQVBPFNSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(CCC[N@H+](C2CC2)C2COC2)c[nH+]1 ZINC000449351351 388178464 /nfs/dbraw/zinc/17/84/64/388178464.db2.gz OLLUPNLDRMPVTL-UHFFFAOYSA-N 2 2 246.354 2.186 20 0 BEADLP Cc1ccc(CCC[N@@H+](C2CC2)C2COC2)c[nH+]1 ZINC000449351351 388178466 /nfs/dbraw/zinc/17/84/66/388178466.db2.gz OLLUPNLDRMPVTL-UHFFFAOYSA-N 2 2 246.354 2.186 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(C)(F)F ZINC000449351815 388179674 /nfs/dbraw/zinc/17/96/74/388179674.db2.gz RUGGFXOFZGLNRJ-CMPLNLGQSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(C)(F)F ZINC000449351815 388179676 /nfs/dbraw/zinc/17/96/76/388179676.db2.gz RUGGFXOFZGLNRJ-CMPLNLGQSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000488514607 388183040 /nfs/dbraw/zinc/18/30/40/388183040.db2.gz NBKYMIHKYHKEFX-HZSPNIEDSA-N 2 2 247.386 2.331 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000488514607 388183042 /nfs/dbraw/zinc/18/30/42/388183042.db2.gz NBKYMIHKYHKEFX-HZSPNIEDSA-N 2 2 247.386 2.331 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CSC[C@H]1C ZINC000449141448 388147904 /nfs/dbraw/zinc/14/79/04/388147904.db2.gz LMOTZGJGIISSBT-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CSC[C@H]1C ZINC000449141448 388147906 /nfs/dbraw/zinc/14/79/06/388147906.db2.gz LMOTZGJGIISSBT-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449148858 388149429 /nfs/dbraw/zinc/14/94/29/388149429.db2.gz VESJCLGKZAHHAT-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000449148858 388149432 /nfs/dbraw/zinc/14/94/32/388149432.db2.gz VESJCLGKZAHHAT-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449377080 388187297 /nfs/dbraw/zinc/18/72/97/388187297.db2.gz NPDNREOPJRNPCG-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449377080 388187303 /nfs/dbraw/zinc/18/73/03/388187303.db2.gz NPDNREOPJRNPCG-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165146011 388250838 /nfs/dbraw/zinc/25/08/38/388250838.db2.gz SIZWGJBMCGDMFN-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000165162056 388251290 /nfs/dbraw/zinc/25/12/90/388251290.db2.gz WXIOSCUUXJXPGT-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389722 388191408 /nfs/dbraw/zinc/19/14/08/388191408.db2.gz TWISFTWZSMNQLG-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389722 388191411 /nfs/dbraw/zinc/19/14/11/388191411.db2.gz TWISFTWZSMNQLG-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395328 388192919 /nfs/dbraw/zinc/19/29/19/388192919.db2.gz IOMWEJIIMJELNF-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395328 388192922 /nfs/dbraw/zinc/19/29/22/388192922.db2.gz IOMWEJIIMJELNF-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395325 388193624 /nfs/dbraw/zinc/19/36/24/388193624.db2.gz IOMWEJIIMJELNF-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395325 388193626 /nfs/dbraw/zinc/19/36/26/388193626.db2.gz IOMWEJIIMJELNF-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449398629 388194503 /nfs/dbraw/zinc/19/45/03/388194503.db2.gz YKTBXJBXNFBSAH-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449398629 388194504 /nfs/dbraw/zinc/19/45/04/388194504.db2.gz YKTBXJBXNFBSAH-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449487073 388217096 /nfs/dbraw/zinc/21/70/96/388217096.db2.gz WTYWOZQKGHWLTI-OPDFLTKYSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449487073 388217098 /nfs/dbraw/zinc/21/70/98/388217098.db2.gz WTYWOZQKGHWLTI-OPDFLTKYSA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000449499272 388219427 /nfs/dbraw/zinc/21/94/27/388219427.db2.gz TWZCSUOICARAEW-TUAOUCFPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000449499272 388219429 /nfs/dbraw/zinc/21/94/29/388219429.db2.gz TWZCSUOICARAEW-TUAOUCFPSA-N 2 2 246.345 2.352 20 0 BEADLP COc1ccccc1/C=C\C[NH2+]C[C@H](C)[NH+](C)C ZINC000449558593 388231952 /nfs/dbraw/zinc/23/19/52/388231952.db2.gz YHXSGTJZJNEVBY-JWJUJFCLSA-N 2 2 248.370 2.248 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](C)C1)C1CC1 ZINC000164482895 388239039 /nfs/dbraw/zinc/23/90/39/388239039.db2.gz YJHFXGCMJALXLJ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](C)C1)C1CC1 ZINC000164482895 388239042 /nfs/dbraw/zinc/23/90/42/388239042.db2.gz YJHFXGCMJALXLJ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H](C)C[N@H+](CC)CCc1c[nH+]cn1C ZINC000459371102 388243069 /nfs/dbraw/zinc/24/30/69/388243069.db2.gz YENLXKPHUXJKMO-GFCCVEGCSA-N 2 2 223.364 2.331 20 0 BEADLP CC[C@@H](C)C[N@@H+](CC)CCc1c[nH+]cn1C ZINC000459371102 388243070 /nfs/dbraw/zinc/24/30/70/388243070.db2.gz YENLXKPHUXJKMO-GFCCVEGCSA-N 2 2 223.364 2.331 20 0 BEADLP [NH3+]C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000261529028 135155302 /nfs/dbraw/zinc/15/53/02/135155302.db2.gz ACNQPNLSXCWRKP-UHFFFAOYSA-N 2 2 230.764 2.325 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000235213294 388366285 /nfs/dbraw/zinc/36/62/85/388366285.db2.gz QAJNVHJQDFVOAG-TZMCWYRMSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1cc(C[NH2+]CCc2cn(C)c[nH+]2)c(C)s1 ZINC000313277433 388390832 /nfs/dbraw/zinc/39/08/32/388390832.db2.gz DVRMFIAGUKFBGZ-UHFFFAOYSA-N 2 2 249.383 2.431 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccccc1C1CC1 ZINC000300803724 388396065 /nfs/dbraw/zinc/39/60/65/388396065.db2.gz JOLJGPKTSWRJMD-UHFFFAOYSA-N 2 2 218.344 2.345 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccccc1C1CC1 ZINC000300803724 388396068 /nfs/dbraw/zinc/39/60/68/388396068.db2.gz JOLJGPKTSWRJMD-UHFFFAOYSA-N 2 2 218.344 2.345 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000300850590 388398495 /nfs/dbraw/zinc/39/84/95/388398495.db2.gz SQHLNJZMZKPWJR-UHFFFAOYSA-N 2 2 228.286 2.405 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000300850590 388398497 /nfs/dbraw/zinc/39/84/97/388398497.db2.gz SQHLNJZMZKPWJR-UHFFFAOYSA-N 2 2 228.286 2.405 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000238502470 388401838 /nfs/dbraw/zinc/40/18/38/388401838.db2.gz AKNCKXFPQULRRK-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP FC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000525977307 388439836 /nfs/dbraw/zinc/43/98/36/388439836.db2.gz CTWHNUGVJGXZIR-UHFFFAOYSA-N 2 2 240.366 2.439 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(F)CC2)C1 ZINC000525978729 388442830 /nfs/dbraw/zinc/44/28/30/388442830.db2.gz ZSFZCHUYLHXOBD-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(F)CC2)C1 ZINC000525978729 388442834 /nfs/dbraw/zinc/44/28/34/388442834.db2.gz ZSFZCHUYLHXOBD-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000525978729 388442835 /nfs/dbraw/zinc/44/28/35/388442835.db2.gz ZSFZCHUYLHXOBD-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000525978729 388442836 /nfs/dbraw/zinc/44/28/36/388442836.db2.gz ZSFZCHUYLHXOBD-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CCC1 ZINC000322706413 388444279 /nfs/dbraw/zinc/44/42/79/388444279.db2.gz PRFBLDYRKVUFLZ-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCC1 ZINC000322706413 388444280 /nfs/dbraw/zinc/44/42/80/388444280.db2.gz PRFBLDYRKVUFLZ-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1F ZINC000335641541 388452723 /nfs/dbraw/zinc/45/27/23/388452723.db2.gz AYKJBPIMNAIPKB-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336654511 388458296 /nfs/dbraw/zinc/45/82/96/388458296.db2.gz GTEHBCUEVRLZLR-YPMHNXCESA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336654511 388458299 /nfs/dbraw/zinc/45/82/99/388458299.db2.gz GTEHBCUEVRLZLR-YPMHNXCESA-N 2 2 240.416 2.098 20 0 BEADLP COCC(C)(C)C[NH2+]CCc1cc[nH+]cc1C ZINC000397527420 388477171 /nfs/dbraw/zinc/47/71/71/388477171.db2.gz VAAUGLKEJMHZBS-UHFFFAOYSA-N 2 2 236.359 2.195 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403686627 388413789 /nfs/dbraw/zinc/41/37/89/388413789.db2.gz RFTSVZUNOPHKNO-HZSPNIEDSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403686627 388413792 /nfs/dbraw/zinc/41/37/92/388413792.db2.gz RFTSVZUNOPHKNO-HZSPNIEDSA-N 2 2 224.392 2.352 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000328513080 388417284 /nfs/dbraw/zinc/41/72/84/388417284.db2.gz CIQRNVBYSOUKJO-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cs1 ZINC000328513080 388417288 /nfs/dbraw/zinc/41/72/88/388417288.db2.gz CIQRNVBYSOUKJO-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000166888516 388434313 /nfs/dbraw/zinc/43/43/13/388434313.db2.gz IILKKMAWGYTVHX-JQWIXIFHSA-N 2 2 208.305 2.024 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccoc1 ZINC000166888516 388434314 /nfs/dbraw/zinc/43/43/14/388434314.db2.gz IILKKMAWGYTVHX-JQWIXIFHSA-N 2 2 208.305 2.024 20 0 BEADLP C/C(Cl)=C\C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000528508130 388537135 /nfs/dbraw/zinc/53/71/35/388537135.db2.gz LQTDRZCBVWQJKI-RGEGJOEESA-N 2 2 228.767 2.298 20 0 BEADLP C/C(Cl)=C\C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000528508130 388537136 /nfs/dbraw/zinc/53/71/36/388537136.db2.gz LQTDRZCBVWQJKI-RGEGJOEESA-N 2 2 228.767 2.298 20 0 BEADLP C/C(Cl)=C\C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000528508130 388537139 /nfs/dbraw/zinc/53/71/39/388537139.db2.gz LQTDRZCBVWQJKI-RGEGJOEESA-N 2 2 228.767 2.298 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000528508130 388537140 /nfs/dbraw/zinc/53/71/40/388537140.db2.gz LQTDRZCBVWQJKI-RGEGJOEESA-N 2 2 228.767 2.298 20 0 BEADLP Cc1cnccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000528509523 388537914 /nfs/dbraw/zinc/53/79/14/388537914.db2.gz PYRJQOUFSAXIBA-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000528509523 388537915 /nfs/dbraw/zinc/53/79/15/388537915.db2.gz PYRJQOUFSAXIBA-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000528509523 388537916 /nfs/dbraw/zinc/53/79/16/388537916.db2.gz PYRJQOUFSAXIBA-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000528509523 388537920 /nfs/dbraw/zinc/53/79/20/388537920.db2.gz PYRJQOUFSAXIBA-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP CCC(=O)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287146 388543770 /nfs/dbraw/zinc/54/37/70/388543770.db2.gz ISCXJULAGSTURB-CYBMUJFWSA-N 2 2 249.358 2.279 20 0 BEADLP Clc1ccc(CC[NH2+]CCn2cc[nH+]c2)cc1 ZINC000355567272 388547116 /nfs/dbraw/zinc/54/71/16/388547116.db2.gz MZPZPVWZYJPVPJ-UHFFFAOYSA-N 2 2 249.745 2.369 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000397755506 388496027 /nfs/dbraw/zinc/49/60/27/388496027.db2.gz FXVUQFGHEWSPRI-GFCCVEGCSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)[C@@H]1C ZINC000397793145 388499683 /nfs/dbraw/zinc/49/96/83/388499683.db2.gz SKINEQUNTVUQKZ-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397800558 388500205 /nfs/dbraw/zinc/50/02/05/388500205.db2.gz VKCKCFGJBWKHII-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC000397872383 388508403 /nfs/dbraw/zinc/50/84/03/388508403.db2.gz GGTRXKHFZQDDLE-TWGQIWQCSA-N 2 2 230.355 2.384 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1C[C@@H]1C ZINC000397898101 388509814 /nfs/dbraw/zinc/50/98/14/388509814.db2.gz SARZNRGKTVYLSH-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP COCc1cccc(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000397973483 388513247 /nfs/dbraw/zinc/51/32/47/388513247.db2.gz NUGJKPALUVCRQG-UHFFFAOYSA-N 2 2 248.370 2.017 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]CC1([NH+](C)C)CC1 ZINC000397982995 388513606 /nfs/dbraw/zinc/51/36/06/388513606.db2.gz SJRVRKWBOJLBRV-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP CO[C@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173187 388594403 /nfs/dbraw/zinc/59/44/03/388594403.db2.gz DVCTYFSWQIJUBA-LSDHHAIUSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173187 388594406 /nfs/dbraw/zinc/59/44/06/388594406.db2.gz DVCTYFSWQIJUBA-LSDHHAIUSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000517582649 388554087 /nfs/dbraw/zinc/55/40/87/388554087.db2.gz MNYFPBIJBKNKFP-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000517582649 388554089 /nfs/dbraw/zinc/55/40/89/388554089.db2.gz MNYFPBIJBKNKFP-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000517582650 388554264 /nfs/dbraw/zinc/55/42/64/388554264.db2.gz MNYFPBIJBKNKFP-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000517582650 388554266 /nfs/dbraw/zinc/55/42/66/388554266.db2.gz MNYFPBIJBKNKFP-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439600 388565312 /nfs/dbraw/zinc/56/53/12/388565312.db2.gz VTXNYOYOYHVAKM-NSHDSACASA-N 2 2 221.348 2.354 20 0 BEADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000528772717 388571611 /nfs/dbraw/zinc/57/16/11/388571611.db2.gz NACZWVSWEFFQTA-SNVBAGLBSA-N 2 2 243.301 2.082 20 0 BEADLP C[C@@H]1CC(F)(F)CC[N@H+]1CCc1c[nH+]cn1C ZINC000528772717 388571612 /nfs/dbraw/zinc/57/16/12/388571612.db2.gz NACZWVSWEFFQTA-SNVBAGLBSA-N 2 2 243.301 2.082 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000184258475 388575647 /nfs/dbraw/zinc/57/56/47/388575647.db2.gz HMYMJMLJVHLKGJ-CYBMUJFWSA-N 2 2 233.359 2.136 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ncccc1F ZINC000528822443 388576386 /nfs/dbraw/zinc/57/63/86/388576386.db2.gz FLIAYUWNERYRHJ-NSHDSACASA-N 2 2 248.305 2.158 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1(C)CC1 ZINC000224543251 388666625 /nfs/dbraw/zinc/66/66/25/388666625.db2.gz BFJVONPXPVDOGQ-UTUOFQBUSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1(C)CC1 ZINC000224543251 388666626 /nfs/dbraw/zinc/66/66/26/388666626.db2.gz BFJVONPXPVDOGQ-UTUOFQBUSA-N 2 2 222.376 2.390 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CF)n2c1 ZINC000288455025 388627296 /nfs/dbraw/zinc/62/72/96/388627296.db2.gz NLKQZFACFIVYRY-JTQLQIEISA-N 2 2 221.279 2.090 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cncs1 ZINC000530217753 388630008 /nfs/dbraw/zinc/63/00/08/388630008.db2.gz HLDKBVQVBKYMOT-GXSJLCMTSA-N 2 2 237.372 2.078 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154597143 388631883 /nfs/dbraw/zinc/63/18/83/388631883.db2.gz MYETYJJHPXGWDF-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154597143 388631885 /nfs/dbraw/zinc/63/18/85/388631885.db2.gz MYETYJJHPXGWDF-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[NH+]1CCCCC1 ZINC000128255936 388742367 /nfs/dbraw/zinc/74/23/67/388742367.db2.gz FDHSELLFJSNTDG-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227599880 388753211 /nfs/dbraw/zinc/75/32/11/388753211.db2.gz NCZOFTCWJOIWLV-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000226314356 388715042 /nfs/dbraw/zinc/71/50/42/388715042.db2.gz LEHTUHABDJHUIY-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000226314356 388715043 /nfs/dbraw/zinc/71/50/43/388715043.db2.gz LEHTUHABDJHUIY-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1cc(Br)cs1 ZINC000229851357 388800963 /nfs/dbraw/zinc/80/09/63/388800963.db2.gz FPJDQEURFPTRMN-LURJTMIESA-N 2 2 249.177 2.120 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000564226215 388790908 /nfs/dbraw/zinc/79/09/08/388790908.db2.gz QHDHDRVRYNIXDZ-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000129770988 388869647 /nfs/dbraw/zinc/86/96/47/388869647.db2.gz QVTGLSWULLTEFU-GRYCIOLGSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000129770988 388869648 /nfs/dbraw/zinc/86/96/48/388869648.db2.gz QVTGLSWULLTEFU-GRYCIOLGSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000129771459 388869982 /nfs/dbraw/zinc/86/99/82/388869982.db2.gz QVTGLSWULLTEFU-WOPDTQHZSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000129771459 388869986 /nfs/dbraw/zinc/86/99/86/388869986.db2.gz QVTGLSWULLTEFU-WOPDTQHZSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000129885284 388874977 /nfs/dbraw/zinc/87/49/77/388874977.db2.gz YVWFDLOONUCOHH-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@H+]1C1CC1 ZINC000129885284 388874979 /nfs/dbraw/zinc/87/49/79/388874979.db2.gz YVWFDLOONUCOHH-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565168059 388919634 /nfs/dbraw/zinc/91/96/34/388919634.db2.gz BEOOOFXYGCEZMB-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565168059 388919635 /nfs/dbraw/zinc/91/96/35/388919635.db2.gz BEOOOFXYGCEZMB-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565168059 388919637 /nfs/dbraw/zinc/91/96/37/388919637.db2.gz BEOOOFXYGCEZMB-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565168059 388919638 /nfs/dbraw/zinc/91/96/38/388919638.db2.gz BEOOOFXYGCEZMB-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000566088783 388986571 /nfs/dbraw/zinc/98/65/71/388986571.db2.gz MKBUHEQOGAUGJG-DTWKUNHWSA-N 2 2 238.297 2.163 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000400631250 533445851 /nfs/dbraw/zinc/44/58/51/533445851.db2.gz LRYLSCAQSCDCTA-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000083391064 322827452 /nfs/dbraw/zinc/82/74/52/322827452.db2.gz GAYSFLBUQHXWRM-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000268297937 132191535 /nfs/dbraw/zinc/19/15/35/132191535.db2.gz GIEFRFHHWFYJCQ-UHFFFAOYSA-N 2 2 233.359 2.168 20 0 BEADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975291 132206731 /nfs/dbraw/zinc/20/67/31/132206731.db2.gz GDIJQVDWRDKPDC-OLZOCXBDSA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975291 132206732 /nfs/dbraw/zinc/20/67/32/132206732.db2.gz GDIJQVDWRDKPDC-OLZOCXBDSA-N 2 2 231.343 2.002 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000334289517 132296200 /nfs/dbraw/zinc/29/62/00/132296200.db2.gz BDSQTSGTZVVCKD-TZMCWYRMSA-N 2 2 245.370 2.439 20 0 BEADLP CC1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335858690 133940196 /nfs/dbraw/zinc/94/01/96/133940196.db2.gz UUSCVQLDKUERTO-BPCQOVAHSA-N 2 2 233.359 2.366 20 0 BEADLP Cc1[nH+]cn(CC[NH+]2CCC(C)CC2)c1C ZINC000335930562 134010313 /nfs/dbraw/zinc/01/03/13/134010313.db2.gz QPELGSPLXVMISW-UHFFFAOYSA-N 2 2 221.348 2.232 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000335997497 134042743 /nfs/dbraw/zinc/04/27/43/134042743.db2.gz JHYKKIPXFNYVMF-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000335997497 134042744 /nfs/dbraw/zinc/04/27/44/134042744.db2.gz JHYKKIPXFNYVMF-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC13CCC3)C2 ZINC000336003072 134048156 /nfs/dbraw/zinc/04/81/56/134048156.db2.gz OTIDYXKKXMOUKO-GXFFZTMASA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000336003072 134048157 /nfs/dbraw/zinc/04/81/57/134048157.db2.gz OTIDYXKKXMOUKO-GXFFZTMASA-N 2 2 231.343 2.189 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000336104218 134084642 /nfs/dbraw/zinc/08/46/42/134084642.db2.gz WVXMHMMHKVUSJQ-CYBMUJFWSA-N 2 2 245.301 2.127 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000336126166 134093024 /nfs/dbraw/zinc/09/30/24/134093024.db2.gz MSRBQGLWDHWOFF-TZMCWYRMSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000336126166 134093025 /nfs/dbraw/zinc/09/30/25/134093025.db2.gz MSRBQGLWDHWOFF-TZMCWYRMSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000336126166 134093026 /nfs/dbraw/zinc/09/30/26/134093026.db2.gz MSRBQGLWDHWOFF-TZMCWYRMSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000336126166 134093027 /nfs/dbraw/zinc/09/30/27/134093027.db2.gz MSRBQGLWDHWOFF-TZMCWYRMSA-N 2 2 249.358 2.072 20 0 BEADLP CC[N@@H+]1CCC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000177816861 134300241 /nfs/dbraw/zinc/30/02/41/134300241.db2.gz TZHUPOIUUVMIRC-ZDUSSCGKSA-N 2 2 248.374 2.298 20 0 BEADLP CC[N@H+]1CCC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000177816861 134300242 /nfs/dbraw/zinc/30/02/42/134300242.db2.gz TZHUPOIUUVMIRC-ZDUSSCGKSA-N 2 2 248.374 2.298 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1COc2ccccc21 ZINC000179006184 134313990 /nfs/dbraw/zinc/31/39/90/134313990.db2.gz UFBCKMCCEKIMKY-GXFFZTMASA-N 2 2 243.310 2.064 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1C ZINC000221366684 134321185 /nfs/dbraw/zinc/32/11/85/134321185.db2.gz QOQRPDWKCQTVGQ-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1C ZINC000221366684 134321186 /nfs/dbraw/zinc/32/11/86/134321186.db2.gz QOQRPDWKCQTVGQ-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ncccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179837286 134324340 /nfs/dbraw/zinc/32/43/40/134324340.db2.gz DYJOAHYBWGAOTC-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000227332481 134377910 /nfs/dbraw/zinc/37/79/10/134377910.db2.gz KLZGUIAFNOXADE-RYUDHWBXSA-N 2 2 236.359 2.414 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000227332481 134377911 /nfs/dbraw/zinc/37/79/11/134377911.db2.gz KLZGUIAFNOXADE-RYUDHWBXSA-N 2 2 236.359 2.414 20 0 BEADLP Cc1nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000227732336 134385476 /nfs/dbraw/zinc/38/54/76/134385476.db2.gz VJFUNYGSQLRUCU-LBPRGKRZSA-N 2 2 241.404 2.257 20 0 BEADLP Cc1nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cs1 ZINC000227732336 134385477 /nfs/dbraw/zinc/38/54/77/134385477.db2.gz VJFUNYGSQLRUCU-LBPRGKRZSA-N 2 2 241.404 2.257 20 0 BEADLP Cc1nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000227732330 134386233 /nfs/dbraw/zinc/38/62/33/134386233.db2.gz VJFUNYGSQLRUCU-GFCCVEGCSA-N 2 2 241.404 2.257 20 0 BEADLP Cc1nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cs1 ZINC000227732330 134386235 /nfs/dbraw/zinc/38/62/35/134386235.db2.gz VJFUNYGSQLRUCU-GFCCVEGCSA-N 2 2 241.404 2.257 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000054109782 134386796 /nfs/dbraw/zinc/38/67/96/134386796.db2.gz OKRFTXZTUWJOGG-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000054109782 134386798 /nfs/dbraw/zinc/38/67/98/134386798.db2.gz OKRFTXZTUWJOGG-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000185644097 134387431 /nfs/dbraw/zinc/38/74/31/134387431.db2.gz WAKQRAMYRVBLNN-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000185644097 134387432 /nfs/dbraw/zinc/38/74/32/134387432.db2.gz WAKQRAMYRVBLNN-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H](C[NH2+]C1CCC(C)(C)CC1)[NH+](C)C ZINC000070654142 135005705 /nfs/dbraw/zinc/00/57/05/135005705.db2.gz IWYHEPKHNWSHKT-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)n1 ZINC000070733696 135011701 /nfs/dbraw/zinc/01/17/01/135011701.db2.gz AVBHOORWCBWDNZ-GHMZBOCLSA-N 2 2 241.404 2.476 20 0 BEADLP CC(C)(C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000250683026 135058038 /nfs/dbraw/zinc/05/80/38/135058038.db2.gz FIXLFXYBTNPMOK-LBPRGKRZSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000250683026 135058040 /nfs/dbraw/zinc/05/80/40/135058040.db2.gz FIXLFXYBTNPMOK-LBPRGKRZSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250683026 135058042 /nfs/dbraw/zinc/05/80/42/135058042.db2.gz FIXLFXYBTNPMOK-LBPRGKRZSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000250683026 135058045 /nfs/dbraw/zinc/05/80/45/135058045.db2.gz FIXLFXYBTNPMOK-LBPRGKRZSA-N 2 2 210.365 2.203 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1C ZINC000251889373 135080647 /nfs/dbraw/zinc/08/06/47/135080647.db2.gz RSNMYENOWNNFMP-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251876239 135080651 /nfs/dbraw/zinc/08/06/51/135080651.db2.gz QWLHOFMKXYBXAW-UMSGYPCISA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000252091053 135083440 /nfs/dbraw/zinc/08/34/40/135083440.db2.gz HDOHXVDJXSRBNV-WOPDTQHZSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000252091053 135083443 /nfs/dbraw/zinc/08/34/43/135083443.db2.gz HDOHXVDJXSRBNV-WOPDTQHZSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000252171283 135085476 /nfs/dbraw/zinc/08/54/76/135085476.db2.gz NZAHPVGIUWLFBT-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000252171283 135085478 /nfs/dbraw/zinc/08/54/78/135085478.db2.gz NZAHPVGIUWLFBT-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCC[C@H]1C ZINC000252431794 135089183 /nfs/dbraw/zinc/08/91/83/135089183.db2.gz PVXLRVINYJDZSY-UPJWGTAASA-N 2 2 221.348 2.440 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725227 135094917 /nfs/dbraw/zinc/09/49/17/135094917.db2.gz JVINQPUIGCVWCU-VXGBXAGGSA-N 2 2 204.317 2.008 20 0 BEADLP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086729570 135095120 /nfs/dbraw/zinc/09/51/20/135095120.db2.gz PIJNYPHVCWMMET-CQSZACIVSA-N 2 2 218.344 2.262 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086725082 135095380 /nfs/dbraw/zinc/09/53/80/135095380.db2.gz FQEXFUBJQIJQKT-BXKDBHETSA-N 2 2 224.735 2.353 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000086873176 135099510 /nfs/dbraw/zinc/09/95/10/135099510.db2.gz AEJRQHHOFVODRD-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000252809280 135111744 /nfs/dbraw/zinc/11/17/44/135111744.db2.gz LHHNIGNUTDOLGM-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000252809280 135111745 /nfs/dbraw/zinc/11/17/45/135111745.db2.gz LHHNIGNUTDOLGM-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252971920 135118472 /nfs/dbraw/zinc/11/84/72/135118472.db2.gz YTINUBKSFXQFMP-XUXIUFHCSA-N 2 2 242.407 2.168 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000253194132 135123801 /nfs/dbraw/zinc/12/38/01/135123801.db2.gz PPBYPKCYUIOCBT-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000253194132 135123802 /nfs/dbraw/zinc/12/38/02/135123802.db2.gz PPBYPKCYUIOCBT-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258215300 135132344 /nfs/dbraw/zinc/13/23/44/135132344.db2.gz KNMBXRHEYZOUQS-LBPRGKRZSA-N 2 2 233.359 2.419 20 0 BEADLP CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258215300 135132345 /nfs/dbraw/zinc/13/23/45/135132345.db2.gz KNMBXRHEYZOUQS-LBPRGKRZSA-N 2 2 233.359 2.419 20 0 BEADLP C[C@@H](C[NH2+]CCC1CCCCC1)[NH+](C)C ZINC000087473362 135142165 /nfs/dbraw/zinc/14/21/65/135142165.db2.gz BZZSLPDKVVLGKJ-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533629 135164899 /nfs/dbraw/zinc/16/48/99/135164899.db2.gz INCURZNHJDLIOO-GBIKHYSHSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533629 135164900 /nfs/dbraw/zinc/16/49/00/135164900.db2.gz INCURZNHJDLIOO-GBIKHYSHSA-N 2 2 222.307 2.166 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261535233 135168523 /nfs/dbraw/zinc/16/85/23/135168523.db2.gz XBGPOQWFJDSJPL-GXFFZTMASA-N 2 2 238.762 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261535233 135168524 /nfs/dbraw/zinc/16/85/24/135168524.db2.gz XBGPOQWFJDSJPL-GXFFZTMASA-N 2 2 238.762 2.427 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261534885 135168699 /nfs/dbraw/zinc/16/86/99/135168699.db2.gz NHOWADMDZLLMJR-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261534885 135168701 /nfs/dbraw/zinc/16/87/01/135168701.db2.gz NHOWADMDZLLMJR-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261536678 135172610 /nfs/dbraw/zinc/17/26/10/135172610.db2.gz SLYLHOBMMRBMEM-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1[NH3+] ZINC000261539603 135177817 /nfs/dbraw/zinc/17/78/17/135177817.db2.gz AJKIRSFYMNSEGW-XHDPSFHLSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1[NH3+] ZINC000261539603 135177818 /nfs/dbraw/zinc/17/78/18/135177818.db2.gz AJKIRSFYMNSEGW-XHDPSFHLSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1[NH3+] ZINC000261539763 135178730 /nfs/dbraw/zinc/17/87/30/135178730.db2.gz BMMLDUQNORJTDE-XHDPSFHLSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1[NH3+] ZINC000261539763 135178731 /nfs/dbraw/zinc/17/87/31/135178731.db2.gz BMMLDUQNORJTDE-XHDPSFHLSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1[NH3+] ZINC000261541940 135182217 /nfs/dbraw/zinc/18/22/17/135182217.db2.gz MTKNLJRVFYUIET-ZWNOBZJWSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1[NH3+] ZINC000261541940 135182218 /nfs/dbraw/zinc/18/22/18/135182218.db2.gz MTKNLJRVFYUIET-ZWNOBZJWSA-N 2 2 230.311 2.212 20 0 BEADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261543297 135183849 /nfs/dbraw/zinc/18/38/49/135183849.db2.gz CTQWGARXPKESCG-JSGCOSHPSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261543297 135183850 /nfs/dbraw/zinc/18/38/50/135183850.db2.gz CTQWGARXPKESCG-JSGCOSHPSA-N 2 2 234.318 2.010 20 0 BEADLP CCC(CC)(CC)C[N@@H+]1CCC[NH2+]CC1 ZINC000261548404 135186981 /nfs/dbraw/zinc/18/69/81/135186981.db2.gz NRBKHATZLPWXTH-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CCC(CC)(CC)C[N@H+]1CCC[NH2+]CC1 ZINC000261548404 135186982 /nfs/dbraw/zinc/18/69/82/135186982.db2.gz NRBKHATZLPWXTH-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562053 135203956 /nfs/dbraw/zinc/20/39/56/135203956.db2.gz VYZREHNXPKPQSN-GXTWGEPZSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562053 135203957 /nfs/dbraw/zinc/20/39/57/135203957.db2.gz VYZREHNXPKPQSN-GXTWGEPZSA-N 2 2 234.318 2.010 20 0 BEADLP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC[NH3+])C1 ZINC000261563797 135205285 /nfs/dbraw/zinc/20/52/85/135205285.db2.gz BZXIJBHHBIFYKN-GWCFXTLKSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[NH3+])C1 ZINC000261563797 135205286 /nfs/dbraw/zinc/20/52/86/135205286.db2.gz BZXIJBHHBIFYKN-GWCFXTLKSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](CC1CC1)C1CCCCC1 ZINC000261564852 135207068 /nfs/dbraw/zinc/20/70/68/135207068.db2.gz CUKIOFSASQHREG-LLVKDONJSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](CC1CC1)C1CCCCC1 ZINC000261564852 135207070 /nfs/dbraw/zinc/20/70/70/135207070.db2.gz CUKIOFSASQHREG-LLVKDONJSA-N 2 2 210.365 2.378 20 0 BEADLP C(C1CCCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000084329917 135211029 /nfs/dbraw/zinc/21/10/29/135211029.db2.gz JYHXWJGBVNTPDV-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP C(C1CCCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000084329917 135211030 /nfs/dbraw/zinc/21/10/30/135211030.db2.gz JYHXWJGBVNTPDV-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000261580979 135221450 /nfs/dbraw/zinc/22/14/50/135221450.db2.gz QGRFWSISNQKEQI-HIFRSBDPSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000261580979 135221451 /nfs/dbraw/zinc/22/14/51/135221451.db2.gz QGRFWSISNQKEQI-HIFRSBDPSA-N 2 2 248.345 2.318 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000261582053 135222483 /nfs/dbraw/zinc/22/24/83/135222483.db2.gz OAFRXRSUELQBJK-RKDXNWHRSA-N 2 2 228.286 2.305 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000261582053 135222484 /nfs/dbraw/zinc/22/24/84/135222484.db2.gz OAFRXRSUELQBJK-RKDXNWHRSA-N 2 2 228.286 2.305 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000261582050 135222575 /nfs/dbraw/zinc/22/25/75/135222575.db2.gz OAFRXRSUELQBJK-BDAKNGLRSA-N 2 2 228.286 2.305 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000261582050 135222578 /nfs/dbraw/zinc/22/25/78/135222578.db2.gz OAFRXRSUELQBJK-BDAKNGLRSA-N 2 2 228.286 2.305 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)ccc1F ZINC000261587906 135228317 /nfs/dbraw/zinc/22/83/17/135228317.db2.gz RYIZNGLZYBMUTP-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)ccc1F ZINC000261587906 135228318 /nfs/dbraw/zinc/22/83/18/135228318.db2.gz RYIZNGLZYBMUTP-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261546430 135238214 /nfs/dbraw/zinc/23/82/14/135238214.db2.gz XCGIZEUZOWAMTB-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261546430 135238215 /nfs/dbraw/zinc/23/82/15/135238215.db2.gz XCGIZEUZOWAMTB-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP Fc1cccc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261760800 135250893 /nfs/dbraw/zinc/25/08/93/135250893.db2.gz CZCWZCCEKBNAGN-LBPRGKRZSA-N 2 2 248.345 2.183 20 0 BEADLP Fc1cccc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261760800 135250894 /nfs/dbraw/zinc/25/08/94/135250894.db2.gz CZCWZCCEKBNAGN-LBPRGKRZSA-N 2 2 248.345 2.183 20 0 BEADLP Cc1cc(F)cc2c1C[N@H+](CC(C)(C)[NH3+])CC2 ZINC000261799699 135254367 /nfs/dbraw/zinc/25/43/67/135254367.db2.gz GTYAMZXCANPQKF-UHFFFAOYSA-N 2 2 236.334 2.230 20 0 BEADLP Cc1cc(F)cc2c1C[N@@H+](CC(C)(C)[NH3+])CC2 ZINC000261799699 135254369 /nfs/dbraw/zinc/25/43/69/135254369.db2.gz GTYAMZXCANPQKF-UHFFFAOYSA-N 2 2 236.334 2.230 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC000261802051 135254795 /nfs/dbraw/zinc/25/47/95/135254795.db2.gz HANARDJYDJUVNE-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)c(OC)c1 ZINC000261802051 135254797 /nfs/dbraw/zinc/25/47/97/135254797.db2.gz HANARDJYDJUVNE-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817313 135255277 /nfs/dbraw/zinc/25/52/77/135255277.db2.gz ICSSVJWASJETBJ-ZWNOBZJWSA-N 2 2 238.762 2.477 20 0 BEADLP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817313 135255279 /nfs/dbraw/zinc/25/52/79/135255279.db2.gz ICSSVJWASJETBJ-ZWNOBZJWSA-N 2 2 238.762 2.477 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1[NH3+] ZINC000261956042 135265847 /nfs/dbraw/zinc/26/58/47/135265847.db2.gz GQVLQILHTSJAHP-TVQRCGJNSA-N 2 2 248.301 2.351 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1[NH3+] ZINC000261956042 135265848 /nfs/dbraw/zinc/26/58/48/135265848.db2.gz GQVLQILHTSJAHP-TVQRCGJNSA-N 2 2 248.301 2.351 20 0 BEADLP COc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1C ZINC000261955027 135265926 /nfs/dbraw/zinc/26/59/26/135265926.db2.gz ONLKZDVWMSQSAV-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP COc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1C ZINC000261955027 135265927 /nfs/dbraw/zinc/26/59/27/135265927.db2.gz ONLKZDVWMSQSAV-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1[NH3+] ZINC000261956041 135266439 /nfs/dbraw/zinc/26/64/39/135266439.db2.gz GQVLQILHTSJAHP-RNCFNFMXSA-N 2 2 248.301 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1[NH3+] ZINC000261956041 135266440 /nfs/dbraw/zinc/26/64/40/135266440.db2.gz GQVLQILHTSJAHP-RNCFNFMXSA-N 2 2 248.301 2.351 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262013522 135273191 /nfs/dbraw/zinc/27/31/91/135273191.db2.gz VHAIUZVQNPXJIV-AWEZNQCLSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262013522 135273193 /nfs/dbraw/zinc/27/31/93/135273193.db2.gz VHAIUZVQNPXJIV-AWEZNQCLSA-N 2 2 246.354 2.008 20 0 BEADLP COc1c(C)cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000262041056 135275005 /nfs/dbraw/zinc/27/50/05/135275005.db2.gz PCSYOQKPOSPLLK-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP COc1c(C)cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000262041056 135275006 /nfs/dbraw/zinc/27/50/06/135275006.db2.gz PCSYOQKPOSPLLK-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP CCc1cccc(F)c1C[N@@H+]1CCC[NH2+]CC1 ZINC000262048807 135275839 /nfs/dbraw/zinc/27/58/39/135275839.db2.gz ZJHWGGXFCIIZBV-UHFFFAOYSA-N 2 2 236.334 2.183 20 0 BEADLP CCc1cccc(F)c1C[N@H+]1CCC[NH2+]CC1 ZINC000262048807 135275841 /nfs/dbraw/zinc/27/58/41/135275841.db2.gz ZJHWGGXFCIIZBV-UHFFFAOYSA-N 2 2 236.334 2.183 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000262047666 135276140 /nfs/dbraw/zinc/27/61/40/135276140.db2.gz ZDZNAVGOFNVTSY-GFCCVEGCSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000262047666 135276142 /nfs/dbraw/zinc/27/61/42/135276142.db2.gz ZDZNAVGOFNVTSY-GFCCVEGCSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@]1(C[N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]C1 ZINC000262087742 135277983 /nfs/dbraw/zinc/27/79/83/135277983.db2.gz ULXDSQBHBZVADQ-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@]1(C[N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]C1 ZINC000262087742 135277985 /nfs/dbraw/zinc/27/79/85/135277985.db2.gz ULXDSQBHBZVADQ-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP FC(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000262101008 135278402 /nfs/dbraw/zinc/27/84/02/135278402.db2.gz ISFVISPJCPXGSV-LLVKDONJSA-N 2 2 226.270 2.076 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC000262194653 135285589 /nfs/dbraw/zinc/28/55/89/135285589.db2.gz ZDYISVOOVYWZAK-CYBMUJFWSA-N 2 2 240.297 2.182 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccncc1 ZINC000342700911 135307102 /nfs/dbraw/zinc/30/71/02/135307102.db2.gz BMYVDOHGODTENY-SGMGOOAPSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccncc1 ZINC000342700911 135307103 /nfs/dbraw/zinc/30/71/03/135307103.db2.gz BMYVDOHGODTENY-SGMGOOAPSA-N 2 2 233.359 2.215 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000262990142 135325530 /nfs/dbraw/zinc/32/55/30/135325530.db2.gz NOUSLCSHYOBKIR-MRXNPFEDSA-N 2 2 244.382 2.315 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263223053 135340445 /nfs/dbraw/zinc/34/04/45/135340445.db2.gz MFNFTQPTASDGLX-BXUZGUMPSA-N 2 2 247.342 2.236 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000343071518 135356233 /nfs/dbraw/zinc/35/62/33/135356233.db2.gz BJEXZVOZMAATBY-NFAWXSAZSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000343071518 135356235 /nfs/dbraw/zinc/35/62/35/135356235.db2.gz BJEXZVOZMAATBY-NFAWXSAZSA-N 2 2 232.371 2.330 20 0 BEADLP CCCCOCCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000343112907 135357748 /nfs/dbraw/zinc/35/77/48/135357748.db2.gz WLFQPXHPKNKTJQ-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCCCOCCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000343112907 135357749 /nfs/dbraw/zinc/35/77/49/135357749.db2.gz WLFQPXHPKNKTJQ-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158828 135363775 /nfs/dbraw/zinc/36/37/75/135363775.db2.gz IZYXWVWPLFUHBG-UKRRQHHQSA-N 2 2 244.382 2.258 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158828 135363776 /nfs/dbraw/zinc/36/37/76/135363776.db2.gz IZYXWVWPLFUHBG-UKRRQHHQSA-N 2 2 244.382 2.258 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000334382975 135380081 /nfs/dbraw/zinc/38/00/81/135380081.db2.gz KQCMKULAIOZDQN-RYUDHWBXSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000334382975 135380083 /nfs/dbraw/zinc/38/00/83/135380083.db2.gz KQCMKULAIOZDQN-RYUDHWBXSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000334382977 135380485 /nfs/dbraw/zinc/38/04/85/135380485.db2.gz KQCMKULAIOZDQN-VXGBXAGGSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000334382977 135380486 /nfs/dbraw/zinc/38/04/86/135380486.db2.gz KQCMKULAIOZDQN-VXGBXAGGSA-N 2 2 221.348 2.312 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385958 135382154 /nfs/dbraw/zinc/38/21/54/135382154.db2.gz NPSXNVKCLHGHMY-CMPLNLGQSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385958 135382156 /nfs/dbraw/zinc/38/21/56/135382156.db2.gz NPSXNVKCLHGHMY-CMPLNLGQSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385959 135382533 /nfs/dbraw/zinc/38/25/33/135382533.db2.gz NPSXNVKCLHGHMY-JQWIXIFHSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385959 135382536 /nfs/dbraw/zinc/38/25/36/135382536.db2.gz NPSXNVKCLHGHMY-JQWIXIFHSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2CC2)n1-c1ccccc1 ZINC000081292428 135386672 /nfs/dbraw/zinc/38/66/72/135386672.db2.gz IBJDPQSIMZTAGT-UHFFFAOYSA-N 2 2 227.311 2.433 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000081637252 135388813 /nfs/dbraw/zinc/38/88/13/135388813.db2.gz OMJVTCCGZXWRFG-UONOGXRCSA-N 2 2 233.359 2.442 20 0 BEADLP Cc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c[nH+]1 ZINC000164558062 135399905 /nfs/dbraw/zinc/39/99/05/135399905.db2.gz LUICUAHFYLVLOS-DGCLKSJQSA-N 2 2 219.332 2.319 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000335056236 135875265 /nfs/dbraw/zinc/87/52/65/135875265.db2.gz BFYZJNVVTNTYRR-DGCLKSJQSA-N 2 2 241.338 2.247 20 0 BEADLP Oc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335181384 135965204 /nfs/dbraw/zinc/96/52/04/135965204.db2.gz PMYBUYFHNLPZKH-SMDDNHRTSA-N 2 2 246.354 2.111 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000335282123 136000321 /nfs/dbraw/zinc/00/03/21/136000321.db2.gz RTZWJLITLAYKPH-VXGBXAGGSA-N 2 2 240.297 2.324 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000335283319 136001189 /nfs/dbraw/zinc/00/11/89/136001189.db2.gz XMDOUNWAOGAXBN-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000335283319 136001190 /nfs/dbraw/zinc/00/11/90/136001190.db2.gz XMDOUNWAOGAXBN-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cncs1 ZINC000335283672 136001482 /nfs/dbraw/zinc/00/14/82/136001482.db2.gz GMAKRIGHICOIAO-NXEZZACHSA-N 2 2 248.355 2.005 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CCO ZINC000348178086 136043143 /nfs/dbraw/zinc/04/31/43/136043143.db2.gz ZVSBIKXHAGITAE-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1CCO ZINC000348178086 136043144 /nfs/dbraw/zinc/04/31/44/136043144.db2.gz ZVSBIKXHAGITAE-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000335326088 136051893 /nfs/dbraw/zinc/05/18/93/136051893.db2.gz VYAWZMAGMSGFAP-SNVBAGLBSA-N 2 2 247.367 2.427 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000335326088 136051894 /nfs/dbraw/zinc/05/18/94/136051894.db2.gz VYAWZMAGMSGFAP-SNVBAGLBSA-N 2 2 247.367 2.427 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335325968 136051917 /nfs/dbraw/zinc/05/19/17/136051917.db2.gz MYVRAHVCWBNZEJ-ZDUSSCGKSA-N 2 2 241.338 2.365 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335325968 136051918 /nfs/dbraw/zinc/05/19/18/136051918.db2.gz MYVRAHVCWBNZEJ-ZDUSSCGKSA-N 2 2 241.338 2.365 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000348258846 136057671 /nfs/dbraw/zinc/05/76/71/136057671.db2.gz KUWABEXVANOBSI-VHDGCEQUSA-N 2 2 232.371 2.330 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000348259216 136057753 /nfs/dbraw/zinc/05/77/53/136057753.db2.gz DJEBVIXREXTRPL-CQSZACIVSA-N 2 2 248.370 2.339 20 0 BEADLP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH+](C)C)C[C@H]1OC ZINC000348275136 136059297 /nfs/dbraw/zinc/05/92/97/136059297.db2.gz CBWGNQRLXXUGFH-JHJVBQTASA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000348296227 136062831 /nfs/dbraw/zinc/06/28/31/136062831.db2.gz VPEHBZMMTWMTHU-ZIAGYGMSSA-N 2 2 234.387 2.466 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CC[NH+](C)C)C1(CC)CC ZINC000348317231 136068866 /nfs/dbraw/zinc/06/88/66/136068866.db2.gz JGKJXLGJUAYARC-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000348378647 136074152 /nfs/dbraw/zinc/07/41/52/136074152.db2.gz KAVURGSHGVYCKG-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000348378647 136074153 /nfs/dbraw/zinc/07/41/53/136074153.db2.gz KAVURGSHGVYCKG-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP CCCCO[C@@H]1C[C@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000348436424 136078772 /nfs/dbraw/zinc/07/87/72/136078772.db2.gz XEMVMMGQOOARKL-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])nc1C ZINC000335594701 136104285 /nfs/dbraw/zinc/10/42/85/136104285.db2.gz LHBYBKOGZWWKKI-GJZGRUSLSA-N 2 2 247.386 2.448 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])nc1C ZINC000335594702 136104322 /nfs/dbraw/zinc/10/43/22/136104322.db2.gz LHBYBKOGZWWKKI-HUUCEWRRSA-N 2 2 247.386 2.448 20 0 BEADLP FC(F)(F)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC001647030374 1172752533 /nfs/dbraw/zinc/75/25/33/1172752533.db2.gz LYYUQIMXKJJWMF-UHFFFAOYSA-N 2 2 243.232 2.376 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)[NH+]1CCCC1 ZINC000449078547 397951431 /nfs/dbraw/zinc/95/14/31/397951431.db2.gz VKUWSUIDGCQMLC-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000449232620 397952221 /nfs/dbraw/zinc/95/22/21/397952221.db2.gz IOCGOPPBTZBTDR-BZPMIXESSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449232620 397952224 /nfs/dbraw/zinc/95/22/24/397952224.db2.gz IOCGOPPBTZBTDR-BZPMIXESSA-N 2 2 236.359 2.283 20 0 BEADLP Cc1[nH+]ccn1Cc1cc(OC(C)C)cc[nH+]1 ZINC000649567734 397957180 /nfs/dbraw/zinc/95/71/80/397957180.db2.gz AFSWXCMYEXKZSC-UHFFFAOYSA-N 2 2 231.299 2.422 20 0 BEADLP CCCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000382982878 397912545 /nfs/dbraw/zinc/91/25/45/397912545.db2.gz XVHYBXAKOCCAMD-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000382982878 397912548 /nfs/dbraw/zinc/91/25/48/397912548.db2.gz XVHYBXAKOCCAMD-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000643537873 397918689 /nfs/dbraw/zinc/91/86/89/397918689.db2.gz SRMUGCIIVCCNRH-XBFCOCLRSA-N 2 2 236.334 2.346 20 0 BEADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537706 397919067 /nfs/dbraw/zinc/91/90/67/397919067.db2.gz OOVNTHLSDDXCEF-XDQVBPFNSA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537707 397919239 /nfs/dbraw/zinc/91/92/39/397919239.db2.gz OOVNTHLSDDXCEF-XUXIUFHCSA-N 2 2 242.382 2.491 20 0 BEADLP CSCC[C@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000156884000 397926742 /nfs/dbraw/zinc/92/67/42/397926742.db2.gz LRWLZNCTLIGIJL-NSHDSACASA-N 2 2 232.437 2.448 20 0 BEADLP CSCC[C@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000156884000 397926743 /nfs/dbraw/zinc/92/67/43/397926743.db2.gz LRWLZNCTLIGIJL-NSHDSACASA-N 2 2 232.437 2.448 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000166885398 398003951 /nfs/dbraw/zinc/00/39/51/398003951.db2.gz GKCZGCCKYLYJMP-CMPLNLGQSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000166885398 398003956 /nfs/dbraw/zinc/00/39/56/398003956.db2.gz GKCZGCCKYLYJMP-CMPLNLGQSA-N 2 2 224.373 2.493 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000274675060 398012795 /nfs/dbraw/zinc/01/27/95/398012795.db2.gz YRFAXPNPUQMIPO-CHWSQXEVSA-N 2 2 244.342 2.326 20 0 BEADLP C[C@H](CCc1ccccc1F)[NH2+]CC[NH+](C)C ZINC000276427248 398022919 /nfs/dbraw/zinc/02/29/19/398022919.db2.gz JHPIQSIRPJBQEX-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC12CCCC2 ZINC000649657857 398026142 /nfs/dbraw/zinc/02/61/42/398026142.db2.gz PAXUWASEDPSJPQ-UHFFFAOYSA-N 2 2 219.332 2.210 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC12CCCC2 ZINC000649657857 398026145 /nfs/dbraw/zinc/02/61/45/398026145.db2.gz PAXUWASEDPSJPQ-UHFFFAOYSA-N 2 2 219.332 2.210 20 0 BEADLP FC1(F)CCCN(CCCn2cc[nH+]c2)C1 ZINC000649695026 398043176 /nfs/dbraw/zinc/04/31/76/398043176.db2.gz FBWCVIZOFXYMQX-UHFFFAOYSA-N 2 2 229.274 2.004 20 0 BEADLP FC1(F)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000649695026 398043178 /nfs/dbraw/zinc/04/31/78/398043178.db2.gz FBWCVIZOFXYMQX-UHFFFAOYSA-N 2 2 229.274 2.004 20 0 BEADLP FC1(F)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000649695026 398043180 /nfs/dbraw/zinc/04/31/80/398043180.db2.gz FBWCVIZOFXYMQX-UHFFFAOYSA-N 2 2 229.274 2.004 20 0 BEADLP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)[C@@H](C)CO1 ZINC000649735588 398076454 /nfs/dbraw/zinc/07/64/54/398076454.db2.gz NIXCWSYIPYWEEO-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)[C@@H](C)CO1 ZINC000649735588 398076455 /nfs/dbraw/zinc/07/64/55/398076455.db2.gz NIXCWSYIPYWEEO-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123696060 398094370 /nfs/dbraw/zinc/09/43/70/398094370.db2.gz TVPXVPLISIRUDF-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123696060 398094373 /nfs/dbraw/zinc/09/43/73/398094373.db2.gz TVPXVPLISIRUDF-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCSCC1 ZINC000186935077 398078296 /nfs/dbraw/zinc/07/82/96/398078296.db2.gz CQDIWGYLMSORTF-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CCc1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000051722046 398057198 /nfs/dbraw/zinc/05/71/98/398057198.db2.gz LNIRAWOIEIZHDL-UHFFFAOYSA-N 2 2 233.315 2.218 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000061910712 398109189 /nfs/dbraw/zinc/10/91/89/398109189.db2.gz YZNDENTUXSYMCX-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000061910712 398109183 /nfs/dbraw/zinc/10/91/83/398109183.db2.gz YZNDENTUXSYMCX-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP FC1(F)CC12CC[NH+](Cc1c[nH+]c[nH]1)CC2 ZINC000649774030 398097040 /nfs/dbraw/zinc/09/70/40/398097040.db2.gz PHZNIGLFURUUDK-UHFFFAOYSA-N 2 2 227.258 2.031 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CC[N@@H+]1C ZINC000090720409 398111859 /nfs/dbraw/zinc/11/18/59/398111859.db2.gz PZVMHVARVSJNIC-ZYHUDNBSSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CC[N@H+]1C ZINC000090720409 398111863 /nfs/dbraw/zinc/11/18/63/398111863.db2.gz PZVMHVARVSJNIC-ZYHUDNBSSA-N 2 2 224.373 2.320 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572012407 398129319 /nfs/dbraw/zinc/12/93/19/398129319.db2.gz ZKRQKZOHQYAYPG-GXTWGEPZSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572012407 398129321 /nfs/dbraw/zinc/12/93/21/398129321.db2.gz ZKRQKZOHQYAYPG-GXTWGEPZSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000258904172 322878418 /nfs/dbraw/zinc/87/84/18/322878418.db2.gz MOTWGVBYUHYUOQ-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662160 487571717 /nfs/dbraw/zinc/57/17/17/487571717.db2.gz PMIMWSZOAGUGAU-PWSUYJOCSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662160 487571720 /nfs/dbraw/zinc/57/17/20/487571720.db2.gz PMIMWSZOAGUGAU-PWSUYJOCSA-N 2 2 233.359 2.435 20 0 BEADLP CCCC[C@@H](COC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658288628 487577623 /nfs/dbraw/zinc/57/76/23/487577623.db2.gz WUODGKIXSJLVLB-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658288628 487577627 /nfs/dbraw/zinc/57/76/27/487577627.db2.gz WUODGKIXSJLVLB-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658288631 487577808 /nfs/dbraw/zinc/57/78/08/487577808.db2.gz WUODGKIXSJLVLB-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658288631 487577811 /nfs/dbraw/zinc/57/78/11/487577811.db2.gz WUODGKIXSJLVLB-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041063678 322906939 /nfs/dbraw/zinc/90/69/39/322906939.db2.gz PEUYKCDFKNNVFK-ZDUSSCGKSA-N 2 2 229.327 2.276 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000337332351 167257813 /nfs/dbraw/zinc/25/78/13/167257813.db2.gz IDAVUBMDUOMWKD-FRRDWIJNSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000337332351 167257816 /nfs/dbraw/zinc/25/78/16/167257816.db2.gz IDAVUBMDUOMWKD-FRRDWIJNSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000685850110 487588473 /nfs/dbraw/zinc/58/84/73/487588473.db2.gz AOFOLELURHDSJS-NSHDSACASA-N 2 2 221.348 2.381 20 0 BEADLP C[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000685850110 487588479 /nfs/dbraw/zinc/58/84/79/487588479.db2.gz AOFOLELURHDSJS-NSHDSACASA-N 2 2 221.348 2.381 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CS[C@H](C)C1)[NH+](C)C ZINC000086934632 487590303 /nfs/dbraw/zinc/59/03/03/487590303.db2.gz CSILGQYURRGYPS-JHJVBQTASA-N 2 2 244.448 2.446 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000556608805 322917287 /nfs/dbraw/zinc/91/72/87/322917287.db2.gz OFPSCVYYMZOZCJ-ZDUSSCGKSA-N 2 2 233.359 2.498 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000086935487 487593546 /nfs/dbraw/zinc/59/35/46/487593546.db2.gz FPSZQZUMZIMBFD-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000308946995 487596930 /nfs/dbraw/zinc/59/69/30/487596930.db2.gz OBNWUSDTIJSFMJ-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000308946995 487596933 /nfs/dbraw/zinc/59/69/33/487596933.db2.gz OBNWUSDTIJSFMJ-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671302904 487596613 /nfs/dbraw/zinc/59/66/13/487596613.db2.gz LAESWTLLGFMSMV-LBPRGKRZSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cccn2c(C[NH2+]CCOC(C)C)c[nH+]c12 ZINC000680484976 487605516 /nfs/dbraw/zinc/60/55/16/487605516.db2.gz AODWLJKXBZOTJO-UHFFFAOYSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c(C)[nH+]1 ZINC000653111694 409819175 /nfs/dbraw/zinc/81/91/75/409819175.db2.gz WURWJYOHDTYDRR-GFCCVEGCSA-N 2 2 247.342 2.027 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ncc(Cl)s1 ZINC000663501638 410278494 /nfs/dbraw/zinc/27/84/94/410278494.db2.gz AQYVOTSMFJTABN-MRVPVSSYSA-N 2 2 247.795 2.260 20 0 BEADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccncc2)CC1 ZINC000266026574 487615050 /nfs/dbraw/zinc/61/50/50/487615050.db2.gz QQNUOGHSFPHPMC-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccncc2)CC1 ZINC000266026574 487615052 /nfs/dbraw/zinc/61/50/52/487615052.db2.gz QQNUOGHSFPHPMC-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703484 410332391 /nfs/dbraw/zinc/33/23/91/410332391.db2.gz BRCLDYCEZNQKHY-BLLLJJGKSA-N 2 2 244.382 2.263 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703572 410332870 /nfs/dbraw/zinc/33/28/70/410332870.db2.gz GZISLAZXORKLSZ-LRDDRELGSA-N 2 2 244.382 2.405 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650704114 410334759 /nfs/dbraw/zinc/33/47/59/410334759.db2.gz IIMIQUBTSKQSKK-OAHLLOKOSA-N 2 2 244.382 2.405 20 0 BEADLP C[C@@H]([NH2+]Cc1cccs1)[C@H]1CCCC[NH2+]1 ZINC000386588424 410288852 /nfs/dbraw/zinc/28/88/52/410288852.db2.gz QTQBMWFYBJMFQX-ZYHUDNBSSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000650741384 410373331 /nfs/dbraw/zinc/37/33/31/410373331.db2.gz CIUANLZKSFOQHH-HNKHHVNMSA-N 2 2 244.382 2.439 20 0 BEADLP Cc1cnc(C[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000136311352 410462751 /nfs/dbraw/zinc/46/27/51/410462751.db2.gz DMFYGKXQLVKELZ-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1cnc(C[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000136311352 410462753 /nfs/dbraw/zinc/46/27/53/410462753.db2.gz DMFYGKXQLVKELZ-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000665296911 410816802 /nfs/dbraw/zinc/81/68/02/410816802.db2.gz ZOUPXKGNYSMSQG-TVQRCGJNSA-N 2 2 222.307 2.011 20 0 BEADLP CC(C)CC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000309697493 166785049 /nfs/dbraw/zinc/78/50/49/166785049.db2.gz RTZBPFWQOCTRGQ-OLZOCXBDSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)CC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000309697493 166785052 /nfs/dbraw/zinc/78/50/52/166785052.db2.gz RTZBPFWQOCTRGQ-OLZOCXBDSA-N 2 2 224.392 2.352 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000665295833 410801064 /nfs/dbraw/zinc/80/10/64/410801064.db2.gz KAQXSGDKJGOJSE-QMTHXVAHSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000665295675 410801078 /nfs/dbraw/zinc/80/10/78/410801078.db2.gz HQJSOVCGUFLJRX-HTQZYQBOSA-N 2 2 227.377 2.018 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000665296909 410816614 /nfs/dbraw/zinc/81/66/14/410816614.db2.gz ZOUPXKGNYSMSQG-NOZJJQNGSA-N 2 2 222.307 2.011 20 0 BEADLP CC(C)CC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375300779 166862639 /nfs/dbraw/zinc/86/26/39/166862639.db2.gz CPTWIUMPOMWOES-UHFFFAOYSA-N 2 2 221.348 2.355 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000665297967 410824167 /nfs/dbraw/zinc/82/41/67/410824167.db2.gz PERSRCVROYABEA-RISCZKNCSA-N 2 2 248.370 2.270 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000651220921 410868959 /nfs/dbraw/zinc/86/89/59/410868959.db2.gz BQOHGYLWUKGAPT-QWRGUYRKSA-N 2 2 200.370 2.351 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041029102 410902729 /nfs/dbraw/zinc/90/27/29/410902729.db2.gz JTQHEUQYMCGHDO-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041029102 410902737 /nfs/dbraw/zinc/90/27/37/410902737.db2.gz JTQHEUQYMCGHDO-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP CC(C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000125161055 167108417 /nfs/dbraw/zinc/10/84/17/167108417.db2.gz BECOJZKDCSBYBN-UHFFFAOYSA-N 2 2 243.354 2.472 20 0 BEADLP CC(C)OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336704051 167233185 /nfs/dbraw/zinc/23/31/85/167233185.db2.gz CIVSKBJPIFWEEH-UHFFFAOYSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000123440758 167294586 /nfs/dbraw/zinc/29/45/86/167294586.db2.gz FHEGZJUGNBAGEP-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000123440758 167294591 /nfs/dbraw/zinc/29/45/91/167294591.db2.gz FHEGZJUGNBAGEP-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123427892 167304276 /nfs/dbraw/zinc/30/42/76/167304276.db2.gz MVMRLMDFIPPNOU-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123427892 167304283 /nfs/dbraw/zinc/30/42/83/167304283.db2.gz MVMRLMDFIPPNOU-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000651668292 411134359 /nfs/dbraw/zinc/13/43/59/411134359.db2.gz FRNMCEBBHKKHGJ-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000651685322 411135877 /nfs/dbraw/zinc/13/58/77/411135877.db2.gz PZFQUZIDRVWUJJ-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000651685322 411135879 /nfs/dbraw/zinc/13/58/79/411135879.db2.gz PZFQUZIDRVWUJJ-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP COC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000354508345 411140354 /nfs/dbraw/zinc/14/03/54/411140354.db2.gz SJYMTFRNHANBNC-HNNXBMFYSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1C)[NH+](C)C ZINC000651751904 411141754 /nfs/dbraw/zinc/14/17/54/411141754.db2.gz MEVSKIHYVIXUEU-JHJVBQTASA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cc2cnccc2o1 ZINC000651807546 411144659 /nfs/dbraw/zinc/14/46/59/411144659.db2.gz FXSNVTINAOBBSG-UHFFFAOYSA-N 2 2 247.342 2.211 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2cnccc2o1 ZINC000651807546 411144660 /nfs/dbraw/zinc/14/46/60/411144660.db2.gz FXSNVTINAOBBSG-UHFFFAOYSA-N 2 2 247.342 2.211 20 0 BEADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000651822724 411146165 /nfs/dbraw/zinc/14/61/65/411146165.db2.gz ILRSXZCOBYFGNX-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911598 411150191 /nfs/dbraw/zinc/15/01/91/411150191.db2.gz KXQYGQYBXMEVHC-YVECIDJPSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911598 411150192 /nfs/dbraw/zinc/15/01/92/411150192.db2.gz KXQYGQYBXMEVHC-YVECIDJPSA-N 2 2 224.392 2.351 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000655939815 411160606 /nfs/dbraw/zinc/16/06/06/411160606.db2.gz UUKSBWNUNLYKRX-STQMWFEESA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CCC(C)(C)C1CC1 ZINC000655939815 411160610 /nfs/dbraw/zinc/16/06/10/411160610.db2.gz UUKSBWNUNLYKRX-STQMWFEESA-N 2 2 242.382 2.445 20 0 BEADLP COC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658094646 411243560 /nfs/dbraw/zinc/24/35/60/411243560.db2.gz ZQZNKMCHKULZLA-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658094646 411243564 /nfs/dbraw/zinc/24/35/64/411243564.db2.gz ZQZNKMCHKULZLA-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CS1 ZINC000655758116 411188956 /nfs/dbraw/zinc/18/89/56/411188956.db2.gz QWNHXIPLVDKMHX-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CC1CC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658097440 411244162 /nfs/dbraw/zinc/24/41/62/411244162.db2.gz XPHXCRMYUPJNJS-CXQJBGSLSA-N 2 2 210.365 2.247 20 0 BEADLP CC1CC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658097440 411244165 /nfs/dbraw/zinc/24/41/65/411244165.db2.gz XPHXCRMYUPJNJS-CXQJBGSLSA-N 2 2 210.365 2.247 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000310061773 411200572 /nfs/dbraw/zinc/20/05/72/411200572.db2.gz BAAKDCYHTWMKPA-LBPRGKRZSA-N 2 2 239.363 2.066 20 0 BEADLP CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655680291 411222737 /nfs/dbraw/zinc/22/27/37/411222737.db2.gz JBJWXZMEWWYCFM-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CS1 ZINC000655683280 411223812 /nfs/dbraw/zinc/22/38/12/411223812.db2.gz BVXOUPIBGUAORP-NWDGAFQWSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CS1 ZINC000655683279 411224244 /nfs/dbraw/zinc/22/42/44/411224244.db2.gz BVXOUPIBGUAORP-NEPJUHHUSA-N 2 2 239.388 2.147 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000658059862 411227255 /nfs/dbraw/zinc/22/72/55/411227255.db2.gz XXSFAHPZLYEBRM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000658059862 411227256 /nfs/dbraw/zinc/22/72/56/411227256.db2.gz XXSFAHPZLYEBRM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000658062932 411229022 /nfs/dbraw/zinc/22/90/22/411229022.db2.gz TVTWFZVYRWBPHG-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000658062932 411229026 /nfs/dbraw/zinc/22/90/26/411229026.db2.gz TVTWFZVYRWBPHG-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+]C1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422940225 411235324 /nfs/dbraw/zinc/23/53/24/411235324.db2.gz SNRIQKDXNRPKHM-OCCSQVGLSA-N 2 2 230.355 2.406 20 0 BEADLP CC(C)CC1([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000658321339 411333062 /nfs/dbraw/zinc/33/30/62/411333062.db2.gz OKCAQSDYGZOSCF-RYUDHWBXSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CC1([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000658321339 411333064 /nfs/dbraw/zinc/33/30/64/411333064.db2.gz OKCAQSDYGZOSCF-RYUDHWBXSA-N 2 2 210.365 2.105 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccoc1 ZINC000515164875 411273808 /nfs/dbraw/zinc/27/38/08/411273808.db2.gz WULCXNNXOATYMF-CMPLNLGQSA-N 2 2 210.321 2.448 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)s1 ZINC000401670745 411279886 /nfs/dbraw/zinc/27/98/86/411279886.db2.gz LDHSSVOYOPTVDP-MWLCHTKSSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1cc2[nH+]cn(C[C@@H]3CC[NH2+]C3)c2cc1C ZINC000051890257 411286446 /nfs/dbraw/zinc/28/64/46/411286446.db2.gz LIRFYULFRXPSFH-GFCCVEGCSA-N 2 2 229.327 2.263 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401699686 411287231 /nfs/dbraw/zinc/28/72/31/411287231.db2.gz NTWRPOBFZRYNSL-RISCZKNCSA-N 2 2 218.344 2.083 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ccncc1F ZINC000124222267 411329320 /nfs/dbraw/zinc/32/93/20/411329320.db2.gz PDFZSYHOKOKHEM-UHFFFAOYSA-N 2 2 239.338 2.042 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658223119 411301950 /nfs/dbraw/zinc/30/19/50/411301950.db2.gz YDDNNESLWUHPSA-JLLWLGSASA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658223119 411301952 /nfs/dbraw/zinc/30/19/52/411301952.db2.gz YDDNNESLWUHPSA-JLLWLGSASA-N 2 2 244.329 2.104 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000658284263 411323025 /nfs/dbraw/zinc/32/30/25/411323025.db2.gz FGHXMSHNCAUGME-JSGCOSHPSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000658284263 411323028 /nfs/dbraw/zinc/32/30/28/411323028.db2.gz FGHXMSHNCAUGME-JSGCOSHPSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658284447 411323291 /nfs/dbraw/zinc/32/32/91/411323291.db2.gz GKAYZJZWGPUJMT-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658284447 411323294 /nfs/dbraw/zinc/32/32/94/411323294.db2.gz GKAYZJZWGPUJMT-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658286376 411323687 /nfs/dbraw/zinc/32/36/87/411323687.db2.gz RUUHNAQMBDKBIK-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658286376 411323688 /nfs/dbraw/zinc/32/36/88/411323688.db2.gz RUUHNAQMBDKBIK-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2CCC2)C1 ZINC000660130122 411250245 /nfs/dbraw/zinc/25/02/45/411250245.db2.gz VPHMCYXRRBTEEH-ZDUSSCGKSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000660130122 411250247 /nfs/dbraw/zinc/25/02/47/411250247.db2.gz VPHMCYXRRBTEEH-ZDUSSCGKSA-N 2 2 233.359 2.400 20 0 BEADLP CC[C@H](C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658119307 411250319 /nfs/dbraw/zinc/25/03/19/411250319.db2.gz DOUNUBQZBPGIDQ-SCRDCRAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658119307 411250321 /nfs/dbraw/zinc/25/03/21/411250321.db2.gz DOUNUBQZBPGIDQ-SCRDCRAPSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cc(CNc2cc(C)cc[nH+]2)n1C ZINC000656767270 411361770 /nfs/dbraw/zinc/36/17/70/411361770.db2.gz IXMXAITZPVXFEG-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656786369 411365927 /nfs/dbraw/zinc/36/59/27/411365927.db2.gz XZEIDINGNHDUBB-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656786369 411365929 /nfs/dbraw/zinc/36/59/29/411365929.db2.gz XZEIDINGNHDUBB-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660584670 411338960 /nfs/dbraw/zinc/33/89/60/411338960.db2.gz UIANEIOMXQZZGU-JTQLQIEISA-N 2 2 243.301 2.380 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000660584670 411338962 /nfs/dbraw/zinc/33/89/62/411338962.db2.gz UIANEIOMXQZZGU-JTQLQIEISA-N 2 2 243.301 2.380 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000336758722 168111923 /nfs/dbraw/zinc/11/19/23/168111923.db2.gz ZQBIUESIYIZCRH-MELADBBJSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000336758722 168111925 /nfs/dbraw/zinc/11/19/25/168111925.db2.gz ZQBIUESIYIZCRH-MELADBBJSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000271828899 168115513 /nfs/dbraw/zinc/11/55/13/168115513.db2.gz OJGCCDLDGRMVQT-UHFFFAOYSA-N 2 2 227.311 2.486 20 0 BEADLP CC1=CC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000271828899 168115514 /nfs/dbraw/zinc/11/55/14/168115514.db2.gz OJGCCDLDGRMVQT-UHFFFAOYSA-N 2 2 227.311 2.486 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336472100 168121309 /nfs/dbraw/zinc/12/13/09/168121309.db2.gz CEDNCLHZJMXDJW-QWHCGFSZSA-N 2 2 231.343 2.286 20 0 BEADLP CC1CCC([N@H+](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042488226 168157579 /nfs/dbraw/zinc/15/75/79/168157579.db2.gz MPGQQAJKUYOEML-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042488226 168157583 /nfs/dbraw/zinc/15/75/83/168157583.db2.gz MPGQQAJKUYOEML-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000309344682 168181194 /nfs/dbraw/zinc/18/11/94/168181194.db2.gz WDZUFPFIWUWTTK-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000309778676 168186505 /nfs/dbraw/zinc/18/65/05/168186505.db2.gz QLLZJJUXLYHRDC-MGPQQGTHSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657300404 411458621 /nfs/dbraw/zinc/45/86/21/411458621.db2.gz NJHAWYLZBNYXEF-NWDGAFQWSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cccc(NCc2c[nH+]c3n2CCC3)[nH+]1 ZINC000657319739 411459987 /nfs/dbraw/zinc/45/99/87/411459987.db2.gz LWRIWXPCCUPEBA-UHFFFAOYSA-N 2 2 228.299 2.145 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2cscn2)[C@@H]1CC[NH3+] ZINC000404370223 411392262 /nfs/dbraw/zinc/39/22/62/411392262.db2.gz IQBIRJULGGQYLJ-CMPLNLGQSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2cscn2)[C@@H]1CC[NH3+] ZINC000404370223 411392267 /nfs/dbraw/zinc/39/22/67/411392267.db2.gz IQBIRJULGGQYLJ-CMPLNLGQSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2nccs2)[C@@H]1CC[NH3+] ZINC000404403912 411394281 /nfs/dbraw/zinc/39/42/81/411394281.db2.gz SYLNTTJOBFVCPV-WDEREUQCSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2nccs2)[C@@H]1CC[NH3+] ZINC000404403912 411394283 /nfs/dbraw/zinc/39/42/83/411394283.db2.gz SYLNTTJOBFVCPV-WDEREUQCSA-N 2 2 239.388 2.092 20 0 BEADLP COc1ccc(N[C@@H](C)CCCC[NH3+])[nH+]c1 ZINC000309449036 411397153 /nfs/dbraw/zinc/39/71/53/411397153.db2.gz NVDXDCDCVUKMPF-JTQLQIEISA-N 2 2 223.320 2.020 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2csc(C)n2)CC[C@@H]1[NH3+] ZINC000122306992 411427189 /nfs/dbraw/zinc/42/71/89/411427189.db2.gz QKTNJGIJGQFKQF-PWSUYJOCSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC[C@@H]1[NH3+] ZINC000122306992 411427193 /nfs/dbraw/zinc/42/71/93/411427193.db2.gz QKTNJGIJGQFKQF-PWSUYJOCSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1cc[nH+]c(N(C)CC2([NH+](C)C)CCC2)c1 ZINC000275477930 411440826 /nfs/dbraw/zinc/44/08/26/411440826.db2.gz PBUMRNDHFQJZEM-UHFFFAOYSA-N 2 2 233.359 2.311 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285856 411444405 /nfs/dbraw/zinc/44/44/05/411444405.db2.gz MZSLRTBHWNZDQG-YPMHNXCESA-N 2 2 233.359 2.498 20 0 BEADLP CCC(CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657286833 411445499 /nfs/dbraw/zinc/44/54/99/411445499.db2.gz TUPCHXBKOUQDPT-UHFFFAOYSA-N 2 2 207.321 2.108 20 0 BEADLP CCCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657287457 411446778 /nfs/dbraw/zinc/44/67/78/411446778.db2.gz MWPYTZPJVJHQRP-UHFFFAOYSA-N 2 2 207.321 2.109 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccnn1C(C)C ZINC000414817568 411446882 /nfs/dbraw/zinc/44/68/82/411446882.db2.gz SMSBVXBOTNUYAM-LBPRGKRZSA-N 2 2 238.379 2.071 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Cl)o2)n1C ZINC000657288465 411447592 /nfs/dbraw/zinc/44/75/92/411447592.db2.gz BUOPISNFIUIUHH-UHFFFAOYSA-N 2 2 239.706 2.265 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347831 411474893 /nfs/dbraw/zinc/47/48/93/411474893.db2.gz GQIUXJHTFIUHML-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347831 411474895 /nfs/dbraw/zinc/47/48/95/411474895.db2.gz GQIUXJHTFIUHML-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C(C)(C)O)C1 ZINC000297486967 411482530 /nfs/dbraw/zinc/48/25/30/411482530.db2.gz URQJMMLPTJFPFB-UHFFFAOYSA-N 2 2 248.370 2.025 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000307760407 411484500 /nfs/dbraw/zinc/48/45/00/411484500.db2.gz VRZOJNQNGDBLAI-MRVPVSSYSA-N 2 2 230.764 2.182 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000307760407 411484503 /nfs/dbraw/zinc/48/45/03/411484503.db2.gz VRZOJNQNGDBLAI-MRVPVSSYSA-N 2 2 230.764 2.182 20 0 BEADLP FC(F)(F)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657383214 411488339 /nfs/dbraw/zinc/48/83/39/411488339.db2.gz GXBJGKVXKBDLTK-UHFFFAOYSA-N 2 2 247.264 2.261 20 0 BEADLP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Oc1ccccc1C ZINC000415087734 411490375 /nfs/dbraw/zinc/49/03/75/411490375.db2.gz WNJUAIUFHLADCS-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)c2ccncc2)n1C ZINC000657389347 411491752 /nfs/dbraw/zinc/49/17/52/411491752.db2.gz KJNBHVQMNAULBB-NSHDSACASA-N 2 2 244.342 2.017 20 0 BEADLP C[C@H](C[NH2+]CCC(C)(C)C)[N@H+](C)C1CC1 ZINC000187877927 411494715 /nfs/dbraw/zinc/49/47/15/411494715.db2.gz XJQMAJAYUPGXMD-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](C[NH2+]CCC(C)(C)C)[N@@H+](C)C1CC1 ZINC000187877927 411494717 /nfs/dbraw/zinc/49/47/17/411494717.db2.gz XJQMAJAYUPGXMD-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)CO1 ZINC000657417329 411500830 /nfs/dbraw/zinc/50/08/30/411500830.db2.gz MJPZWXSVNBZKQI-ZIAGYGMSSA-N 2 2 234.343 2.090 20 0 BEADLP CC1(C)C[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077859 411534294 /nfs/dbraw/zinc/53/42/94/411534294.db2.gz QOWOZFALETTWOD-RYUDHWBXSA-N 2 2 249.358 2.157 20 0 BEADLP CC1(C)C[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077859 411534298 /nfs/dbraw/zinc/53/42/98/411534298.db2.gz QOWOZFALETTWOD-RYUDHWBXSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657456892 411514412 /nfs/dbraw/zinc/51/44/12/411514412.db2.gz ASZRRSKKLPQJBX-NEPJUHHUSA-N 2 2 233.359 2.355 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657456560 411516237 /nfs/dbraw/zinc/51/62/37/411516237.db2.gz SEGUIOONWFQJQV-VXGBXAGGSA-N 2 2 233.359 2.355 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657465795 411519430 /nfs/dbraw/zinc/51/94/30/411519430.db2.gz HXRLMYXJEPURND-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657465795 411519433 /nfs/dbraw/zinc/51/94/33/411519433.db2.gz HXRLMYXJEPURND-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCC2(F)CCC2)n1C ZINC000657466875 411519629 /nfs/dbraw/zinc/51/96/29/411519629.db2.gz CEFFPXXXEGYQST-UHFFFAOYSA-N 2 2 225.311 2.100 20 0 BEADLP CC1(C)C[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CO1 ZINC000659999579 411525383 /nfs/dbraw/zinc/52/53/83/411525383.db2.gz SRRAQJRJAPAVAS-GFCCVEGCSA-N 2 2 249.358 2.157 20 0 BEADLP CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000657482421 411531846 /nfs/dbraw/zinc/53/18/46/411531846.db2.gz WSKWYHPEMWFSRI-UHFFFAOYSA-N 2 2 233.359 2.498 20 0 BEADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655342 170008496 /nfs/dbraw/zinc/00/84/96/170008496.db2.gz AWVBMDNCIAUCGC-JTQLQIEISA-N 2 2 242.750 2.364 20 0 BEADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655342 170008498 /nfs/dbraw/zinc/00/84/98/170008498.db2.gz AWVBMDNCIAUCGC-JTQLQIEISA-N 2 2 242.750 2.364 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462315 170009716 /nfs/dbraw/zinc/00/97/16/170009716.db2.gz BVHVSPQNJOSHFL-UKRRQHHQSA-N 2 2 247.386 2.244 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462315 170009718 /nfs/dbraw/zinc/00/97/18/170009718.db2.gz BVHVSPQNJOSHFL-UKRRQHHQSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462315 170009720 /nfs/dbraw/zinc/00/97/20/170009720.db2.gz BVHVSPQNJOSHFL-UKRRQHHQSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462315 170009721 /nfs/dbraw/zinc/00/97/21/170009721.db2.gz BVHVSPQNJOSHFL-UKRRQHHQSA-N 2 2 247.386 2.244 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145075 170012817 /nfs/dbraw/zinc/01/28/17/170012817.db2.gz BZXDKFQRIMBJOK-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145075 170012818 /nfs/dbraw/zinc/01/28/18/170012818.db2.gz BZXDKFQRIMBJOK-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000328517349 170013958 /nfs/dbraw/zinc/01/39/58/170013958.db2.gz QDLXIEQRYWVHOJ-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000328517349 170013960 /nfs/dbraw/zinc/01/39/60/170013960.db2.gz QDLXIEQRYWVHOJ-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000655857096 411538804 /nfs/dbraw/zinc/53/88/04/411538804.db2.gz RMDKXDQJQNWCFW-OLZOCXBDSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000655857096 411538805 /nfs/dbraw/zinc/53/88/05/411538805.db2.gz RMDKXDQJQNWCFW-OLZOCXBDSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000336901532 170020345 /nfs/dbraw/zinc/02/03/45/170020345.db2.gz SVFPOOBVFGNZOW-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000336901532 170020346 /nfs/dbraw/zinc/02/03/46/170020346.db2.gz SVFPOOBVFGNZOW-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000336899511 170022829 /nfs/dbraw/zinc/02/28/29/170022829.db2.gz REGMUYMLLHFGBN-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000336899511 170022830 /nfs/dbraw/zinc/02/28/30/170022830.db2.gz REGMUYMLLHFGBN-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000328393302 170022902 /nfs/dbraw/zinc/02/29/02/170022902.db2.gz YLSFRHAPNYKYOQ-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000328393302 170022904 /nfs/dbraw/zinc/02/29/04/170022904.db2.gz YLSFRHAPNYKYOQ-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000340478769 170029036 /nfs/dbraw/zinc/02/90/36/170029036.db2.gz NAPHNWFWHFTZMI-NEPJUHHUSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2(C(C)C)CC2)C1 ZINC000340478769 170029038 /nfs/dbraw/zinc/02/90/38/170029038.db2.gz NAPHNWFWHFTZMI-NEPJUHHUSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCSC)C1 ZINC000309058371 170030055 /nfs/dbraw/zinc/03/00/55/170030055.db2.gz VMFJAVAXSQSYAE-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCSC)C1 ZINC000309058371 170030056 /nfs/dbraw/zinc/03/00/56/170030056.db2.gz VMFJAVAXSQSYAE-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000336782274 170031155 /nfs/dbraw/zinc/03/11/55/170031155.db2.gz XDEJUUWHLRPOJC-VXGBXAGGSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000336782274 170031157 /nfs/dbraw/zinc/03/11/57/170031157.db2.gz XDEJUUWHLRPOJC-VXGBXAGGSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCCSC)C1 ZINC000336776051 170031730 /nfs/dbraw/zinc/03/17/30/170031730.db2.gz DOCLVNIPELEXCL-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCCSC)C1 ZINC000336776051 170031732 /nfs/dbraw/zinc/03/17/32/170031732.db2.gz DOCLVNIPELEXCL-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCc2cccs2)[C@@H](C)C1 ZINC000309494326 170034633 /nfs/dbraw/zinc/03/46/33/170034633.db2.gz XZUFNXXLXRUYKL-AAEUAGOBSA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000309927303 170035962 /nfs/dbraw/zinc/03/59/62/170035962.db2.gz VYXWXUGZXOAVPJ-AAEUAGOBSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC2(C3CC3)CC2)[C@@H](C)C1 ZINC000309927303 170035963 /nfs/dbraw/zinc/03/59/63/170035963.db2.gz VYXWXUGZXOAVPJ-AAEUAGOBSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCCC(F)(F)F)[C@@H](C)C1 ZINC000336777911 170035997 /nfs/dbraw/zinc/03/59/97/170035997.db2.gz JVRSQZGKUCNJDM-UWVGGRQHSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000309927307 170036703 /nfs/dbraw/zinc/03/67/03/170036703.db2.gz VYXWXUGZXOAVPJ-WCQYABFASA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000309927307 170036704 /nfs/dbraw/zinc/03/67/04/170036704.db2.gz VYXWXUGZXOAVPJ-WCQYABFASA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC=C(C)C)C1 ZINC000309060746 170036965 /nfs/dbraw/zinc/03/69/65/170036965.db2.gz WKSMVFLSYNZIEL-QWHCGFSZSA-N 2 2 210.365 2.273 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC=C(C)C)C1 ZINC000309060746 170036967 /nfs/dbraw/zinc/03/69/67/170036967.db2.gz WKSMVFLSYNZIEL-QWHCGFSZSA-N 2 2 210.365 2.273 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCSC(C)C)C1 ZINC000336766464 170037831 /nfs/dbraw/zinc/03/78/31/170037831.db2.gz ROUULIUTGSLEJW-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCSC(C)C)C1 ZINC000336766464 170037832 /nfs/dbraw/zinc/03/78/32/170037832.db2.gz ROUULIUTGSLEJW-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[C@H]2C)C1 ZINC000309916663 170038026 /nfs/dbraw/zinc/03/80/26/170038026.db2.gz PSPDHJMFVUFDHD-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[C@H]2C)C1 ZINC000309916663 170038028 /nfs/dbraw/zinc/03/80/28/170038028.db2.gz PSPDHJMFVUFDHD-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000309922713 170038784 /nfs/dbraw/zinc/03/87/84/170038784.db2.gz TTWFTDQYIWIJPJ-RWMBFGLXSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000309922713 170038785 /nfs/dbraw/zinc/03/87/85/170038785.db2.gz TTWFTDQYIWIJPJ-RWMBFGLXSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000336782750 170038914 /nfs/dbraw/zinc/03/89/14/170038914.db2.gz YRUJQRDLOUWZML-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000336782750 170038915 /nfs/dbraw/zinc/03/89/15/170038915.db2.gz YRUJQRDLOUWZML-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cscc2C)C1 ZINC000309648240 170039083 /nfs/dbraw/zinc/03/90/83/170039083.db2.gz NBDAJQINQUBLGW-GXFFZTMASA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cscc2C)C1 ZINC000309648240 170039085 /nfs/dbraw/zinc/03/90/85/170039085.db2.gz NBDAJQINQUBLGW-GXFFZTMASA-N 2 2 238.400 2.486 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523758 411541503 /nfs/dbraw/zinc/54/15/03/411541503.db2.gz IOEQWOKKWWCDQD-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523758 411541505 /nfs/dbraw/zinc/54/15/05/411541505.db2.gz IOEQWOKKWWCDQD-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524316 411541703 /nfs/dbraw/zinc/54/17/03/411541703.db2.gz KEMQRBFGVZMLNW-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524316 411541705 /nfs/dbraw/zinc/54/17/05/411541705.db2.gz KEMQRBFGVZMLNW-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000657524778 411542121 /nfs/dbraw/zinc/54/21/21/411542121.db2.gz LRPJGQVJVDUYMO-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000657524778 411542122 /nfs/dbraw/zinc/54/21/22/411542122.db2.gz LRPJGQVJVDUYMO-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000657526671 411543317 /nfs/dbraw/zinc/54/33/17/411543317.db2.gz KNJSRTCQLMWGCI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000657526671 411543319 /nfs/dbraw/zinc/54/33/19/411543319.db2.gz KNJSRTCQLMWGCI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000657499624 411536779 /nfs/dbraw/zinc/53/67/79/411536779.db2.gz GHBOHVOYZKPSLV-SDDRHHMPSA-N 2 2 231.343 2.108 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn[nH]c1 ZINC000655849151 411537259 /nfs/dbraw/zinc/53/72/59/411537259.db2.gz PNHHHIVCUOWFJE-YUTCNCBUSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cn[nH]c1 ZINC000655849151 411537262 /nfs/dbraw/zinc/53/72/62/411537262.db2.gz PNHHHIVCUOWFJE-YUTCNCBUSA-N 2 2 248.374 2.077 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)n1C ZINC000657500730 411537872 /nfs/dbraw/zinc/53/78/72/411537872.db2.gz RQDYNJXNRQBNML-IJLUTSLNSA-N 2 2 219.332 2.007 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000228714832 170115692 /nfs/dbraw/zinc/11/56/92/170115692.db2.gz SDLKQGGYXJAHNM-UHFFFAOYSA-N 2 2 246.276 2.405 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H](C)O1 ZINC000657564534 411553303 /nfs/dbraw/zinc/55/33/03/411553303.db2.gz WEWMGSUATAZTAJ-NDBYEHHHSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)[C@@H](C)O1 ZINC000657564534 411553304 /nfs/dbraw/zinc/55/33/04/411553304.db2.gz WEWMGSUATAZTAJ-NDBYEHHHSA-N 2 2 240.391 2.015 20 0 BEADLP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)o1 ZINC000660148380 411546130 /nfs/dbraw/zinc/54/61/30/411546130.db2.gz URWMVUWRHKZIRY-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)o1 ZINC000660148380 411546133 /nfs/dbraw/zinc/54/61/33/411546133.db2.gz URWMVUWRHKZIRY-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@@]23C[C@@H]2CCC3)[nH+]1 ZINC000657551191 411547685 /nfs/dbraw/zinc/54/76/85/411547685.db2.gz MFWRAZAYOUCUOU-FZMZJTMJSA-N 2 2 227.311 2.367 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000657668061 411573710 /nfs/dbraw/zinc/57/37/10/411573710.db2.gz WRVDAZJYOBEHBK-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000657668061 411573712 /nfs/dbraw/zinc/57/37/12/411573712.db2.gz WRVDAZJYOBEHBK-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC1CCC1 ZINC000657668057 411573998 /nfs/dbraw/zinc/57/39/98/411573998.db2.gz WRVDAZJYOBEHBK-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC1CCC1 ZINC000657668057 411573999 /nfs/dbraw/zinc/57/39/99/411573999.db2.gz WRVDAZJYOBEHBK-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657679748 411580859 /nfs/dbraw/zinc/58/08/59/411580859.db2.gz FDTUTHBDHSVCOO-LBPRGKRZSA-N 2 2 219.332 2.108 20 0 BEADLP CC1(C)C[C@]1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657761274 411590923 /nfs/dbraw/zinc/59/09/23/411590923.db2.gz IBHTZXOJWVGSGG-ZDUSSCGKSA-N 2 2 219.332 2.108 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2=CCCC2)C[N@@H+]1C1CC1 ZINC000657749422 411592596 /nfs/dbraw/zinc/59/25/96/411592596.db2.gz BZXIVYDWYJMTAC-YPMHNXCESA-N 2 2 220.360 2.312 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2=CCCC2)C[N@H+]1C1CC1 ZINC000657749422 411592597 /nfs/dbraw/zinc/59/25/97/411592597.db2.gz BZXIVYDWYJMTAC-YPMHNXCESA-N 2 2 220.360 2.312 20 0 BEADLP CC(C)CC1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657774343 411594193 /nfs/dbraw/zinc/59/41/93/411594193.db2.gz DYYIGAHVZCOMQC-UHFFFAOYSA-N 2 2 233.359 2.498 20 0 BEADLP CCOc1ccc(NCc2[nH]cc[nH+]2)[nH+]c1C ZINC000657791887 411598007 /nfs/dbraw/zinc/59/80/07/411598007.db2.gz AFEIWHBJZXRDFU-UHFFFAOYSA-N 2 2 232.287 2.124 20 0 BEADLP CC(C)=CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583880 411604006 /nfs/dbraw/zinc/60/40/06/411604006.db2.gz NOJQGPPVUKTSHK-UHFFFAOYSA-N 2 2 205.305 2.055 20 0 BEADLP CC(C)=CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583880 411604008 /nfs/dbraw/zinc/60/40/08/411604008.db2.gz NOJQGPPVUKTSHK-UHFFFAOYSA-N 2 2 205.305 2.055 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657822157 411606979 /nfs/dbraw/zinc/60/69/79/411606979.db2.gz WPMXKTSMYRTPFT-GFCCVEGCSA-N 2 2 246.345 2.148 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657822157 411606981 /nfs/dbraw/zinc/60/69/81/411606981.db2.gz WPMXKTSMYRTPFT-GFCCVEGCSA-N 2 2 246.345 2.148 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870572 411613928 /nfs/dbraw/zinc/61/39/28/411613928.db2.gz FLNVPTMTQHHRCI-NXEZZACHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870572 411613930 /nfs/dbraw/zinc/61/39/30/411613930.db2.gz FLNVPTMTQHHRCI-NXEZZACHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870577 411614263 /nfs/dbraw/zinc/61/42/63/411614263.db2.gz FLNVPTMTQHHRCI-ZJUUUORDSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870577 411614265 /nfs/dbraw/zinc/61/42/65/411614265.db2.gz FLNVPTMTQHHRCI-ZJUUUORDSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+]C1CC(CF)(CF)C1)[N@H+](C)C1CC1 ZINC000657874221 411615395 /nfs/dbraw/zinc/61/53/95/411615395.db2.gz YPWDRBYHCSFGLA-SNVBAGLBSA-N 2 2 246.345 2.147 20 0 BEADLP C[C@H](C[NH2+]C1CC(CF)(CF)C1)[N@@H+](C)C1CC1 ZINC000657874221 411615396 /nfs/dbraw/zinc/61/53/96/411615396.db2.gz YPWDRBYHCSFGLA-SNVBAGLBSA-N 2 2 246.345 2.147 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000663510742 411692496 /nfs/dbraw/zinc/69/24/96/411692496.db2.gz SEQRGHAXOHCPLP-LBPRGKRZSA-N 2 2 243.354 2.241 20 0 BEADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000661518457 411796157 /nfs/dbraw/zinc/79/61/57/411796157.db2.gz CRJWMBQIUWKBKN-SWLSCSKDSA-N 2 2 241.338 2.201 20 0 BEADLP CCc1[nH+]c(C)ccc1OCCc1c[nH+]cn1C ZINC000664015614 411814534 /nfs/dbraw/zinc/81/45/34/411814534.db2.gz FWASSFHFXGVMIG-UHFFFAOYSA-N 2 2 245.326 2.307 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690736 411841987 /nfs/dbraw/zinc/84/19/87/411841987.db2.gz USOAUTODKIODKP-ZDUSSCGKSA-N 2 2 239.338 2.263 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690736 411841992 /nfs/dbraw/zinc/84/19/92/411841992.db2.gz USOAUTODKIODKP-ZDUSSCGKSA-N 2 2 239.338 2.263 20 0 BEADLP c1[nH+]c2ccccn2c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974222 411930278 /nfs/dbraw/zinc/93/02/78/411930278.db2.gz VLDRNSLRTVYDNP-RYUDHWBXSA-N 2 2 227.311 2.176 20 0 BEADLP c1[nH+]c2ccccn2c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974222 411930282 /nfs/dbraw/zinc/93/02/82/411930282.db2.gz VLDRNSLRTVYDNP-RYUDHWBXSA-N 2 2 227.311 2.176 20 0 BEADLP CC(C)CC1([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000662067554 411969331 /nfs/dbraw/zinc/96/93/31/411969331.db2.gz ZBXNWHIRQFCKFG-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CC1([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000662067554 411969338 /nfs/dbraw/zinc/96/93/38/411969338.db2.gz ZBXNWHIRQFCKFG-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CC1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000662072613 411974032 /nfs/dbraw/zinc/97/40/32/411974032.db2.gz TUKAUQNYFYIJQN-UHFFFAOYSA-N 2 2 221.348 2.442 20 0 BEADLP CCC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000664530546 411979437 /nfs/dbraw/zinc/97/94/37/411979437.db2.gz SBGKICAQEDRKRB-CYBMUJFWSA-N 2 2 248.374 2.298 20 0 BEADLP CCC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000664530546 411979441 /nfs/dbraw/zinc/97/94/41/411979441.db2.gz SBGKICAQEDRKRB-CYBMUJFWSA-N 2 2 248.374 2.298 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CC=CC1 ZINC000662234201 412031814 /nfs/dbraw/zinc/03/18/14/412031814.db2.gz JQFAODNNBMSINQ-WCQYABFASA-N 2 2 208.349 2.154 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000662234201 412031816 /nfs/dbraw/zinc/03/18/16/412031816.db2.gz JQFAODNNBMSINQ-WCQYABFASA-N 2 2 208.349 2.154 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCc1nsc2ccccc21 ZINC000662245511 412041432 /nfs/dbraw/zinc/04/14/32/412041432.db2.gz RUDZAPGFMRYVSF-JTQLQIEISA-N 2 2 249.383 2.118 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1nsc2ccccc21 ZINC000662245511 412041436 /nfs/dbraw/zinc/04/14/36/412041436.db2.gz RUDZAPGFMRYVSF-JTQLQIEISA-N 2 2 249.383 2.118 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000662246102 412043756 /nfs/dbraw/zinc/04/37/56/412043756.db2.gz OVTOTWJKEJBTJI-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000662246102 412043758 /nfs/dbraw/zinc/04/37/58/412043758.db2.gz OVTOTWJKEJBTJI-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCn1cc[nH+]c1C ZINC000357525648 171039110 /nfs/dbraw/zinc/03/91/10/171039110.db2.gz FAEXDRCPKLIXAV-DGCLKSJQSA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CCn1cc[nH+]c1C ZINC000357525648 171039111 /nfs/dbraw/zinc/03/91/11/171039111.db2.gz FAEXDRCPKLIXAV-DGCLKSJQSA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000309218401 171045329 /nfs/dbraw/zinc/04/53/29/171045329.db2.gz UTQNWPOKSYICCU-LPWJVIDDSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309218401 171045331 /nfs/dbraw/zinc/04/53/31/171045331.db2.gz UTQNWPOKSYICCU-LPWJVIDDSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1O ZINC000353816854 171081360 /nfs/dbraw/zinc/08/13/60/171081360.db2.gz QALDHSSYSUFAKN-CABCVRRESA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1O ZINC000353816854 171081361 /nfs/dbraw/zinc/08/13/61/171081361.db2.gz QALDHSSYSUFAKN-CABCVRRESA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000336700779 171127105 /nfs/dbraw/zinc/12/71/05/171127105.db2.gz LGSKCCKWVLXJQK-WCQYABFASA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000336700779 171127107 /nfs/dbraw/zinc/12/71/07/171127107.db2.gz LGSKCCKWVLXJQK-WCQYABFASA-N 2 2 221.348 2.312 20 0 BEADLP C[N@H+](CC[NH3+])CCSc1cccc(Cl)c1 ZINC000662281522 412072210 /nfs/dbraw/zinc/07/22/10/412072210.db2.gz MZLOQXQDFRZTET-UHFFFAOYSA-N 2 2 244.791 2.323 20 0 BEADLP C[N@@H+](CC[NH3+])CCSc1cccc(Cl)c1 ZINC000662281522 412072216 /nfs/dbraw/zinc/07/22/16/412072216.db2.gz MZLOQXQDFRZTET-UHFFFAOYSA-N 2 2 244.791 2.323 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336687310 171283170 /nfs/dbraw/zinc/28/31/70/171283170.db2.gz XODGTDYKHBZZRA-NWDGAFQWSA-N 2 2 221.348 2.256 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336687310 171283171 /nfs/dbraw/zinc/28/31/71/171283171.db2.gz XODGTDYKHBZZRA-NWDGAFQWSA-N 2 2 221.348 2.256 20 0 BEADLP CO[C@@H](C[N@H+](C)CC(C)(C)[NH3+])c1ccccc1 ZINC000662293647 412081811 /nfs/dbraw/zinc/08/18/11/412081811.db2.gz HCHFWQNQZVZOME-ZDUSSCGKSA-N 2 2 236.359 2.043 20 0 BEADLP CO[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])c1ccccc1 ZINC000662293647 412081812 /nfs/dbraw/zinc/08/18/12/412081812.db2.gz HCHFWQNQZVZOME-ZDUSSCGKSA-N 2 2 236.359 2.043 20 0 BEADLP [NH3+]CC[N@H+](CC[C@H]1CCCO1)Cc1ccccc1 ZINC000087246680 487622269 /nfs/dbraw/zinc/62/22/69/487622269.db2.gz KYLWVTPCRFQLEY-OAHLLOKOSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]CC[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1 ZINC000087246680 487622273 /nfs/dbraw/zinc/62/22/73/487622273.db2.gz KYLWVTPCRFQLEY-OAHLLOKOSA-N 2 2 248.370 2.016 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH3+])c1ccccc1F ZINC000662302006 412089035 /nfs/dbraw/zinc/08/90/35/412089035.db2.gz JQLFDHDNPNRYCV-LBPRGKRZSA-N 2 2 210.296 2.071 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2[C@H]1CCc2ccc(F)cc21 ZINC000662305061 412089330 /nfs/dbraw/zinc/08/93/30/412089330.db2.gz XTNNUNRYJXLJMH-CUMGRINNSA-N 2 2 246.329 2.236 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2[C@H]1CCc2ccc(F)cc21 ZINC000662305061 412089334 /nfs/dbraw/zinc/08/93/34/412089334.db2.gz XTNNUNRYJXLJMH-CUMGRINNSA-N 2 2 246.329 2.236 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000662312656 412094749 /nfs/dbraw/zinc/09/47/49/412094749.db2.gz YMGUDBFBSOYKDQ-NSHDSACASA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]([NH3+])C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000662312656 412094752 /nfs/dbraw/zinc/09/47/52/412094752.db2.gz YMGUDBFBSOYKDQ-NSHDSACASA-N 2 2 236.334 2.385 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c(C)c1 ZINC000662325895 412102759 /nfs/dbraw/zinc/10/27/59/412102759.db2.gz KTTRDTKBDDVOJW-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c(C)c1 ZINC000662325895 412102762 /nfs/dbraw/zinc/10/27/62/412102762.db2.gz KTTRDTKBDDVOJW-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662325479 412103095 /nfs/dbraw/zinc/10/30/95/412103095.db2.gz GXJKIAMYUSZXNV-ZIAGYGMSSA-N 2 2 236.334 2.120 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662325479 412103099 /nfs/dbraw/zinc/10/30/99/412103099.db2.gz GXJKIAMYUSZXNV-ZIAGYGMSSA-N 2 2 236.334 2.120 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000665276342 412218970 /nfs/dbraw/zinc/21/89/70/412218970.db2.gz AIGOXROBRAMXIE-ZBOXLXRLSA-N 2 2 236.384 2.459 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665276572 412219954 /nfs/dbraw/zinc/21/99/54/412219954.db2.gz GPPIEZDWHMNDJQ-OPFPJEHXSA-N 2 2 230.355 2.398 20 0 BEADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665277117 412220236 /nfs/dbraw/zinc/22/02/36/412220236.db2.gz UGOVRPYEOKSVFM-BMQDGWLCSA-N 2 2 222.357 2.151 20 0 BEADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cn1 ZINC000665279106 412222332 /nfs/dbraw/zinc/22/23/32/412222332.db2.gz XCAHVPVBHITIPP-KSGYAGIASA-N 2 2 249.333 2.013 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279122 412222751 /nfs/dbraw/zinc/22/27/51/412222751.db2.gz XLPHBKDUBRGXLP-XIKARTHZSA-N 2 2 245.370 2.047 20 0 BEADLP CC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336646622 171621281 /nfs/dbraw/zinc/62/12/81/171621281.db2.gz KVAZFMZDCVHYOT-LBPRGKRZSA-N 2 2 207.321 2.066 20 0 BEADLP CC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000336646622 171621283 /nfs/dbraw/zinc/62/12/83/171621283.db2.gz KVAZFMZDCVHYOT-LBPRGKRZSA-N 2 2 207.321 2.066 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000665294388 412237960 /nfs/dbraw/zinc/23/79/60/412237960.db2.gz NQTGSBSSHOJIRE-NWDGAFQWSA-N 2 2 232.371 2.434 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000665293750 412238446 /nfs/dbraw/zinc/23/84/46/412238446.db2.gz BVXJINQMMPJABQ-XHDPSFHLSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000665293747 412238918 /nfs/dbraw/zinc/23/89/18/412238918.db2.gz BVXJINQMMPJABQ-ABAIWWIYSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000665294054 412238924 /nfs/dbraw/zinc/23/89/24/412238924.db2.gz HIMCUXQQHZLPNQ-FZMZJTMJSA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000665294330 412239120 /nfs/dbraw/zinc/23/91/20/412239120.db2.gz MQDSOGYKVXTIOY-VHSXEESVSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000665293748 412239651 /nfs/dbraw/zinc/23/96/51/412239651.db2.gz BVXJINQMMPJABQ-IAQYHMDHSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000665295403 412242541 /nfs/dbraw/zinc/24/25/41/412242541.db2.gz DAIFRJUNCDAYOF-SMDDNHRTSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000665295430 412242658 /nfs/dbraw/zinc/24/26/58/412242658.db2.gz DLQOPHIOGQFZAJ-ZWNOBZJWSA-N 2 2 239.338 2.115 20 0 BEADLP CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccn1 ZINC000665296466 412243522 /nfs/dbraw/zinc/24/35/22/412243522.db2.gz SVZVLDQBDPGXPC-AAEUAGOBSA-N 2 2 221.348 2.120 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCNc2ccccc21 ZINC000665297710 412244224 /nfs/dbraw/zinc/24/42/24/412244224.db2.gz KERHTTYUSZBULY-RISCZKNCSA-N 2 2 233.359 2.131 20 0 BEADLP CCn1cccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271928858 172203205 /nfs/dbraw/zinc/20/32/05/172203205.db2.gz LVSWWHMPRILQEV-UHFFFAOYSA-N 2 2 246.358 2.227 20 0 BEADLP CCn1cccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271928858 172203207 /nfs/dbraw/zinc/20/32/07/172203207.db2.gz LVSWWHMPRILQEV-UHFFFAOYSA-N 2 2 246.358 2.227 20 0 BEADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000044562097 173009967 /nfs/dbraw/zinc/00/99/67/173009967.db2.gz UBAWWMZDTFIKLZ-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CCCCC1 ZINC000044562097 173009969 /nfs/dbraw/zinc/00/99/69/173009969.db2.gz UBAWWMZDTFIKLZ-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336275609 173028383 /nfs/dbraw/zinc/02/83/83/173028383.db2.gz WKIGXMGSXXQHGP-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336275609 173028385 /nfs/dbraw/zinc/02/83/85/173028385.db2.gz WKIGXMGSXXQHGP-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000336275609 173028387 /nfs/dbraw/zinc/02/83/87/173028387.db2.gz WKIGXMGSXXQHGP-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](C)(F)C1 ZINC000336275609 173028388 /nfs/dbraw/zinc/02/83/88/173028388.db2.gz WKIGXMGSXXQHGP-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218140090 173032613 /nfs/dbraw/zinc/03/26/13/173032613.db2.gz UECQSWDDDGQWOT-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218140090 173032614 /nfs/dbraw/zinc/03/26/14/173032614.db2.gz UECQSWDDDGQWOT-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000107787257 173056327 /nfs/dbraw/zinc/05/63/27/173056327.db2.gz VXYBDKJKLHOOPI-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000107787257 173056329 /nfs/dbraw/zinc/05/63/29/173056329.db2.gz VXYBDKJKLHOOPI-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000335596499 173057455 /nfs/dbraw/zinc/05/74/55/173057455.db2.gz RGWOJMHBQZSLIM-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000335596499 173057458 /nfs/dbraw/zinc/05/74/58/173057458.db2.gz RGWOJMHBQZSLIM-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000042545525 173123557 /nfs/dbraw/zinc/12/35/57/173123557.db2.gz CHIZKFNYIPBDMM-HNFVBEJKSA-N 2 2 248.345 2.365 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000042545525 173123560 /nfs/dbraw/zinc/12/35/60/173123560.db2.gz CHIZKFNYIPBDMM-HNFVBEJKSA-N 2 2 248.345 2.365 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCF)C[C@@H]1c1ccccc1 ZINC000340379739 173123918 /nfs/dbraw/zinc/12/39/18/173123918.db2.gz STYZMLFLNPMCLX-ZIAGYGMSSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCF)C[C@@H]1c1ccccc1 ZINC000340379739 173123921 /nfs/dbraw/zinc/12/39/21/173123921.db2.gz STYZMLFLNPMCLX-ZIAGYGMSSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000061984735 173152688 /nfs/dbraw/zinc/15/26/88/173152688.db2.gz GUQLGPARXAKMBL-ZDUSSCGKSA-N 2 2 238.762 2.176 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000061984735 173152692 /nfs/dbraw/zinc/15/26/92/173152692.db2.gz GUQLGPARXAKMBL-ZDUSSCGKSA-N 2 2 238.762 2.176 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc2ccccc21 ZINC000161274374 173355761 /nfs/dbraw/zinc/35/57/61/173355761.db2.gz KMKSNNRSACHXJG-UHFFFAOYSA-N 2 2 214.312 2.149 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000161269866 173356045 /nfs/dbraw/zinc/35/60/45/173356045.db2.gz FSQHTHWBOCCIGY-UHFFFAOYSA-N 2 2 232.249 2.014 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000161252210 173356160 /nfs/dbraw/zinc/35/61/60/173356160.db2.gz OZKSHECOKRQWFX-UHFFFAOYSA-N 2 2 232.249 2.014 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000133051934 173369256 /nfs/dbraw/zinc/36/92/56/173369256.db2.gz JAARHGWCGVTIND-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC000133051934 173369257 /nfs/dbraw/zinc/36/92/57/173369257.db2.gz JAARHGWCGVTIND-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000042390535 173379829 /nfs/dbraw/zinc/37/98/29/173379829.db2.gz FSMMAXUTVHHBDC-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000042390535 173379830 /nfs/dbraw/zinc/37/98/30/173379830.db2.gz FSMMAXUTVHHBDC-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000053033100 173381413 /nfs/dbraw/zinc/38/14/13/173381413.db2.gz IWYNKEBTOFYHHN-LLVKDONJSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000053033100 173381416 /nfs/dbraw/zinc/38/14/16/173381416.db2.gz IWYNKEBTOFYHHN-LLVKDONJSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000053201369 173462368 /nfs/dbraw/zinc/46/23/68/173462368.db2.gz YZFKTVXOEIQECC-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000053201369 173462369 /nfs/dbraw/zinc/46/23/69/173462369.db2.gz YZFKTVXOEIQECC-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP COCCC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354283262 174148641 /nfs/dbraw/zinc/14/86/41/174148641.db2.gz RNGNVTZIWJNBAX-UHFFFAOYSA-N 2 2 247.342 2.239 20 0 BEADLP COCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363300965 174192720 /nfs/dbraw/zinc/19/27/20/174192720.db2.gz AYUKLHMJCBTBSA-LBPRGKRZSA-N 2 2 237.347 2.016 20 0 BEADLP COCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363300965 174192722 /nfs/dbraw/zinc/19/27/22/174192722.db2.gz AYUKLHMJCBTBSA-LBPRGKRZSA-N 2 2 237.347 2.016 20 0 BEADLP COCCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289255154 174200323 /nfs/dbraw/zinc/20/03/23/174200323.db2.gz MDPDNFIWWIXOJN-UHFFFAOYSA-N 2 2 236.359 2.339 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000062037071 174215935 /nfs/dbraw/zinc/21/59/35/174215935.db2.gz ADKFKDNXUCZIHF-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000062037071 174215937 /nfs/dbraw/zinc/21/59/37/174215937.db2.gz ADKFKDNXUCZIHF-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000062036994 174215949 /nfs/dbraw/zinc/21/59/49/174215949.db2.gz OUGUCLKOOBFALA-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000062036994 174215951 /nfs/dbraw/zinc/21/59/51/174215951.db2.gz OUGUCLKOOBFALA-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044558265 175074919 /nfs/dbraw/zinc/07/49/19/175074919.db2.gz RUPILWKNARKHRQ-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044558265 175074921 /nfs/dbraw/zinc/07/49/21/175074921.db2.gz RUPILWKNARKHRQ-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234845577 175079224 /nfs/dbraw/zinc/07/92/24/175079224.db2.gz PMPXIFRQCICBAW-CHWSQXEVSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000019843401 175098829 /nfs/dbraw/zinc/09/88/29/175098829.db2.gz FPQXDVDMQCXQRJ-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000019843401 175098830 /nfs/dbraw/zinc/09/88/30/175098830.db2.gz FPQXDVDMQCXQRJ-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000112344499 175177216 /nfs/dbraw/zinc/17/72/16/175177216.db2.gz CLYSIKVNQZOINU-SNVBAGLBSA-N 2 2 231.299 2.269 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042544278 175190212 /nfs/dbraw/zinc/19/02/12/175190212.db2.gz RSDWWGYIGVLJDG-AAEUAGOBSA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042544278 175190213 /nfs/dbraw/zinc/19/02/13/175190213.db2.gz RSDWWGYIGVLJDG-AAEUAGOBSA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226340425 175259030 /nfs/dbraw/zinc/25/90/30/175259030.db2.gz SUQMLTNONZBOGB-WFASDCNBSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226340425 175259031 /nfs/dbraw/zinc/25/90/31/175259031.db2.gz SUQMLTNONZBOGB-WFASDCNBSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc([C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126864 175293640 /nfs/dbraw/zinc/29/36/40/175293640.db2.gz ZGNZPIXMTUJQTJ-ZDUSSCGKSA-N 2 2 248.370 2.442 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000019958424 175344192 /nfs/dbraw/zinc/34/41/92/175344192.db2.gz NYEOTZQNMIPFLH-GFCCVEGCSA-N 2 2 236.359 2.298 20 0 BEADLP C[C@@H](c1ccncc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000289505061 176034316 /nfs/dbraw/zinc/03/43/16/176034316.db2.gz DUCNINUYUNMISR-LBPRGKRZSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000187949532 176065153 /nfs/dbraw/zinc/06/51/53/176065153.db2.gz CRHNGLFTXKZRAS-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000187949532 176065154 /nfs/dbraw/zinc/06/51/54/176065154.db2.gz CRHNGLFTXKZRAS-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000340186404 176072180 /nfs/dbraw/zinc/07/21/80/176072180.db2.gz XMYIIPLJETYOFH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000340186404 176072182 /nfs/dbraw/zinc/07/21/82/176072182.db2.gz XMYIIPLJETYOFH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770774 176082021 /nfs/dbraw/zinc/08/20/21/176082021.db2.gz WZJZDPWMTVXXRJ-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770774 176082023 /nfs/dbraw/zinc/08/20/23/176082023.db2.gz WZJZDPWMTVXXRJ-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000054763364 176123179 /nfs/dbraw/zinc/12/31/79/176123179.db2.gz CAGJPCCRFKAEFN-CKYFFXLPSA-N 2 2 207.321 2.324 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000020126762 176123340 /nfs/dbraw/zinc/12/33/40/176123340.db2.gz MXLRXCJSLGRAOX-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336756741 176132248 /nfs/dbraw/zinc/13/22/48/176132248.db2.gz JSRKQGWMVSGDIT-FVCCEPFGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336756741 176132249 /nfs/dbraw/zinc/13/22/49/176132249.db2.gz JSRKQGWMVSGDIT-FVCCEPFGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000041041882 176143965 /nfs/dbraw/zinc/14/39/65/176143965.db2.gz XRVOIRHCDDYNRS-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000070829443 176150294 /nfs/dbraw/zinc/15/02/94/176150294.db2.gz WDEBAOKPZSZQDD-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784618 176224482 /nfs/dbraw/zinc/22/44/82/176224482.db2.gz SPJCMTPBLMEWLZ-FRRDWIJNSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784618 176224484 /nfs/dbraw/zinc/22/44/84/176224484.db2.gz SPJCMTPBLMEWLZ-FRRDWIJNSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000228977019 176233074 /nfs/dbraw/zinc/23/30/74/176233074.db2.gz CKMDNPHGHNLKIM-KWCYVHTRSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000309772314 176234117 /nfs/dbraw/zinc/23/41/17/176234117.db2.gz KSQQYWYFPXLBHQ-VWYCJHECSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000309772314 176234118 /nfs/dbraw/zinc/23/41/18/176234118.db2.gz KSQQYWYFPXLBHQ-VWYCJHECSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298643 176268683 /nfs/dbraw/zinc/26/86/83/176268683.db2.gz PVUIZJZJIBTBOO-IUODEOHRSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298643 176268685 /nfs/dbraw/zinc/26/86/85/176268685.db2.gz PVUIZJZJIBTBOO-IUODEOHRSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000275298643 176268686 /nfs/dbraw/zinc/26/86/86/176268686.db2.gz PVUIZJZJIBTBOO-IUODEOHRSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(O)c1 ZINC000275298643 176268688 /nfs/dbraw/zinc/26/86/88/176268688.db2.gz PVUIZJZJIBTBOO-IUODEOHRSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606375 176272500 /nfs/dbraw/zinc/27/25/00/176272500.db2.gz VELOHPOOKBVLJA-YPMHNXCESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606375 176272501 /nfs/dbraw/zinc/27/25/01/176272501.db2.gz VELOHPOOKBVLJA-YPMHNXCESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794673 176272557 /nfs/dbraw/zinc/27/25/57/176272557.db2.gz PVLXVELZFZAWNC-MNOVXSKESA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794673 176272558 /nfs/dbraw/zinc/27/25/58/176272558.db2.gz PVLXVELZFZAWNC-MNOVXSKESA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000339577738 176273426 /nfs/dbraw/zinc/27/34/26/176273426.db2.gz PEZTZVMAUJCBFX-AGIUHOORSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000339577738 176273428 /nfs/dbraw/zinc/27/34/28/176273428.db2.gz PEZTZVMAUJCBFX-AGIUHOORSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000336776207 176274905 /nfs/dbraw/zinc/27/49/05/176274905.db2.gz FCPVIPQPNJWBDB-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000336776207 176274907 /nfs/dbraw/zinc/27/49/07/176274907.db2.gz FCPVIPQPNJWBDB-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375013 176277057 /nfs/dbraw/zinc/27/70/57/176277057.db2.gz CMZAEQWNEMALIF-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375013 176277058 /nfs/dbraw/zinc/27/70/58/176277058.db2.gz CMZAEQWNEMALIF-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990898 176277203 /nfs/dbraw/zinc/27/72/03/176277203.db2.gz FJBGYYXFEAWINN-UKRRQHHQSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990898 176277204 /nfs/dbraw/zinc/27/72/04/176277204.db2.gz FJBGYYXFEAWINN-UKRRQHHQSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781087 176277478 /nfs/dbraw/zinc/27/74/78/176277478.db2.gz TWUWDUFZVKPAAD-ZWNOBZJWSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781087 176277480 /nfs/dbraw/zinc/27/74/80/176277480.db2.gz TWUWDUFZVKPAAD-ZWNOBZJWSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145594 176282234 /nfs/dbraw/zinc/28/22/34/176282234.db2.gz BHBHZPZQKHFXQJ-MWLCHTKSSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145594 176282235 /nfs/dbraw/zinc/28/22/35/176282235.db2.gz BHBHZPZQKHFXQJ-MWLCHTKSSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[NH+](CCC[NH2+]C2CCCC2)C[C@@H](C)O1 ZINC000050877918 176289248 /nfs/dbraw/zinc/28/92/48/176289248.db2.gz NVCNTHVLOQDFRH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CSC[C@H]1C ZINC000304557881 176354406 /nfs/dbraw/zinc/35/44/06/176354406.db2.gz VKNWLFOXISCDAC-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000038086821 176372766 /nfs/dbraw/zinc/37/27/66/176372766.db2.gz WYVOBSMUFRIZQE-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+]2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000038086821 176372768 /nfs/dbraw/zinc/37/27/68/176372768.db2.gz WYVOBSMUFRIZQE-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)C[N@@H+]1C1CC1 ZINC000120226605 176374738 /nfs/dbraw/zinc/37/47/38/176374738.db2.gz PPRBJNYBPCVHKQ-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)C[N@H+]1C1CC1 ZINC000120226605 176374740 /nfs/dbraw/zinc/37/47/40/176374740.db2.gz PPRBJNYBPCVHKQ-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)C[N@@H+]1C1CC1 ZINC000336678919 176378824 /nfs/dbraw/zinc/37/88/24/176378824.db2.gz WSTJXKVOLFTVII-WZRBSPASSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)C[N@H+]1C1CC1 ZINC000336678919 176378826 /nfs/dbraw/zinc/37/88/26/176378826.db2.gz WSTJXKVOLFTVII-WZRBSPASSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000336779413 176396707 /nfs/dbraw/zinc/39/67/07/176396707.db2.gz OENULYZSLPRVHO-CHWSQXEVSA-N 2 2 224.392 2.354 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000336779413 176396708 /nfs/dbraw/zinc/39/67/08/176396708.db2.gz OENULYZSLPRVHO-CHWSQXEVSA-N 2 2 224.392 2.354 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccco1 ZINC000049553146 176626337 /nfs/dbraw/zinc/62/63/37/176626337.db2.gz KVLZYGFYYXUVPA-GHMZBOCLSA-N 2 2 210.321 2.270 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1csc(Cl)c1 ZINC000235504760 176847543 /nfs/dbraw/zinc/84/75/43/176847543.db2.gz IEXCIZCWMXHMIK-LURJTMIESA-N 2 2 204.726 2.011 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC([NH3+])CC1 ZINC000034958682 177031739 /nfs/dbraw/zinc/03/17/39/177031739.db2.gz LOKLPGSRIPQVHV-SECBINFHSA-N 2 2 240.297 2.449 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000336729208 177081336 /nfs/dbraw/zinc/08/13/36/177081336.db2.gz IUYNHMZVEWEPHN-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221149859 177083009 /nfs/dbraw/zinc/08/30/09/177083009.db2.gz RBFRUAUQEKSJRO-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221149859 177083010 /nfs/dbraw/zinc/08/30/10/177083010.db2.gz RBFRUAUQEKSJRO-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086722 177085342 /nfs/dbraw/zinc/08/53/42/177085342.db2.gz SREOGLUZORHDBK-RWMBFGLXSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086722 177085344 /nfs/dbraw/zinc/08/53/44/177085344.db2.gz SREOGLUZORHDBK-RWMBFGLXSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177358197 177111041 /nfs/dbraw/zinc/11/10/41/177111041.db2.gz KBVXOCBQZPUPOZ-LBPRGKRZSA-N 2 2 242.326 2.252 20 0 BEADLP C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177358197 177111042 /nfs/dbraw/zinc/11/10/42/177111042.db2.gz KBVXOCBQZPUPOZ-LBPRGKRZSA-N 2 2 242.326 2.252 20 0 BEADLP C[C@H]1CC[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000162117032 177198443 /nfs/dbraw/zinc/19/84/43/177198443.db2.gz UBMLJHCXSSHLNC-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162117032 177198444 /nfs/dbraw/zinc/19/84/44/177198444.db2.gz UBMLJHCXSSHLNC-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796577 177235413 /nfs/dbraw/zinc/23/54/13/177235413.db2.gz QHQBRIJLGDHTSD-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796577 177235415 /nfs/dbraw/zinc/23/54/15/177235415.db2.gz QHQBRIJLGDHTSD-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000309140259 177235843 /nfs/dbraw/zinc/23/58/43/177235843.db2.gz SXDBBGGPTNHVMF-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000309140259 177235845 /nfs/dbraw/zinc/23/58/45/177235845.db2.gz SXDBBGGPTNHVMF-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677211 177239523 /nfs/dbraw/zinc/23/95/23/177239523.db2.gz BLEFECQIYDWMAT-GXFFZTMASA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677211 177239525 /nfs/dbraw/zinc/23/95/25/177239525.db2.gz BLEFECQIYDWMAT-GXFFZTMASA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000309463829 177239610 /nfs/dbraw/zinc/23/96/10/177239610.db2.gz PKHMNMBGTGCGIY-IKOXMDCHSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000309463829 177239612 /nfs/dbraw/zinc/23/96/12/177239612.db2.gz PKHMNMBGTGCGIY-IKOXMDCHSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145595 177240429 /nfs/dbraw/zinc/24/04/29/177240429.db2.gz BHBHZPZQKHFXQJ-ONGXEEELSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145595 177240430 /nfs/dbraw/zinc/24/04/30/177240430.db2.gz BHBHZPZQKHFXQJ-ONGXEEELSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000346216313 177241057 /nfs/dbraw/zinc/24/10/57/177241057.db2.gz SQMJYUZWOIHPRO-BBRMVZONSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000346216313 177241058 /nfs/dbraw/zinc/24/10/58/177241058.db2.gz SQMJYUZWOIHPRO-BBRMVZONSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCC1(F)F ZINC000290003173 177251801 /nfs/dbraw/zinc/25/18/01/177251801.db2.gz ZFXYCFRJMUWPAU-NSHDSACASA-N 2 2 243.301 2.250 20 0 BEADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCC1(F)F ZINC000290003173 177251802 /nfs/dbraw/zinc/25/18/02/177251802.db2.gz ZFXYCFRJMUWPAU-NSHDSACASA-N 2 2 243.301 2.250 20 0 BEADLP C[C@H]1C[N@H+](CCSc2ccccc2)C[C@@H]1[NH3+] ZINC000235639490 177254703 /nfs/dbraw/zinc/25/47/03/177254703.db2.gz UKILRKHRNQTZIN-AAEUAGOBSA-N 2 2 236.384 2.058 20 0 BEADLP C[C@H]1C[N@@H+](CCSc2ccccc2)C[C@@H]1[NH3+] ZINC000235639490 177254705 /nfs/dbraw/zinc/25/47/05/177254705.db2.gz UKILRKHRNQTZIN-AAEUAGOBSA-N 2 2 236.384 2.058 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1[NH3+] ZINC000235645003 177262509 /nfs/dbraw/zinc/26/25/09/177262509.db2.gz QVMMAPPICFRVKB-CABZTGNLSA-N 2 2 240.297 2.403 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1[NH3+] ZINC000235645003 177262510 /nfs/dbraw/zinc/26/25/10/177262510.db2.gz QVMMAPPICFRVKB-CABZTGNLSA-N 2 2 240.297 2.403 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000309776189 177331354 /nfs/dbraw/zinc/33/13/54/177331354.db2.gz LSHAWKZQHUDECS-WDEREUQCSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000309776189 177331356 /nfs/dbraw/zinc/33/13/56/177331356.db2.gz LSHAWKZQHUDECS-WDEREUQCSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@@H+]1C1CC1 ZINC000231632367 177331447 /nfs/dbraw/zinc/33/14/47/177331447.db2.gz XIPBMMLPLHCOQY-WDEREUQCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@H+]1C1CC1 ZINC000231632367 177331450 /nfs/dbraw/zinc/33/14/50/177331450.db2.gz XIPBMMLPLHCOQY-WDEREUQCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@@H]1C ZINC000309767029 177334800 /nfs/dbraw/zinc/33/48/00/177334800.db2.gz JPXRFDCZTUFIIF-OJROKELRSA-N 2 2 222.376 2.246 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H]1C ZINC000309767029 177334801 /nfs/dbraw/zinc/33/48/01/177334801.db2.gz JPXRFDCZTUFIIF-OJROKELRSA-N 2 2 222.376 2.246 20 0 BEADLP C[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000120558124 177350416 /nfs/dbraw/zinc/35/04/16/177350416.db2.gz RJRXLWNUIJSZSZ-WFASDCNBSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000131565749 177361850 /nfs/dbraw/zinc/36/18/50/177361850.db2.gz SAJXSMHVYNKMOQ-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000131565749 177361852 /nfs/dbraw/zinc/36/18/52/177361852.db2.gz SAJXSMHVYNKMOQ-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1Cc2[nH+]cn(Cc3c[nH+]cn3C)c2C[C@@H]1C ZINC000295082467 177391513 /nfs/dbraw/zinc/39/15/13/177391513.db2.gz DMTKQODXQGAPLA-QWRGUYRKSA-N 2 2 244.342 2.036 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000674879656 487642068 /nfs/dbraw/zinc/64/20/68/487642068.db2.gz WCMNRJZYJDAQBJ-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000674879656 487642070 /nfs/dbraw/zinc/64/20/70/487642070.db2.gz WCMNRJZYJDAQBJ-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccncc2)CCC[N@@H+]1C ZINC000487573196 225315975 /nfs/dbraw/zinc/31/59/75/225315975.db2.gz NBUMRNVZCCFCOP-QLGVYERUSA-N 2 2 245.370 2.167 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccncc2)CCC[N@H+]1C ZINC000487573196 225315977 /nfs/dbraw/zinc/31/59/77/225315977.db2.gz NBUMRNVZCCFCOP-QLGVYERUSA-N 2 2 245.370 2.167 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000487574470 225316381 /nfs/dbraw/zinc/31/63/81/225316381.db2.gz NGNKPQFSBMKYEM-SRVKXCTJSA-N 2 2 233.359 2.222 20 0 BEADLP C[NH+](C)C1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000495079480 226276214 /nfs/dbraw/zinc/27/62/14/226276214.db2.gz NWMKGPBEXIYFIC-ARJAWSKDSA-N 2 2 245.370 2.121 20 0 BEADLP COCc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400519999 226345774 /nfs/dbraw/zinc/34/57/74/226345774.db2.gz OAZUZLCXDDPNBQ-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400540705 226346130 /nfs/dbraw/zinc/34/61/30/226346130.db2.gz USUYENNMOZACLD-ZOWXZIJZSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400565884 226346613 /nfs/dbraw/zinc/34/66/13/226346613.db2.gz MIYWZMCKQWKPCO-ZYHUDNBSSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cscc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400568320 226346698 /nfs/dbraw/zinc/34/66/98/226346698.db2.gz MYCOZKQIVAHRAO-PWSUYJOCSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000312879678 262723438 /nfs/dbraw/zinc/72/34/38/262723438.db2.gz PBXZGOVOWJWSHU-RNFRBKRXSA-N 2 2 218.753 2.227 20 0 BEADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(C)[nH+]c(C)n1 ZINC000675151155 487675184 /nfs/dbraw/zinc/67/51/84/487675184.db2.gz ICJQNVOUOXHGSL-CYBMUJFWSA-N 2 2 248.374 2.380 20 0 BEADLP FCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671680513 487686721 /nfs/dbraw/zinc/68/67/21/487686721.db2.gz IIHADWDXLJJCGX-GFCCVEGCSA-N 2 2 225.311 2.270 20 0 BEADLP FCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671680513 487686722 /nfs/dbraw/zinc/68/67/22/487686722.db2.gz IIHADWDXLJJCGX-GFCCVEGCSA-N 2 2 225.311 2.270 20 0 BEADLP FC1(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000527227701 262834316 /nfs/dbraw/zinc/83/43/16/262834316.db2.gz QLBOKXDGUXKRPZ-UHFFFAOYSA-N 2 2 237.322 2.365 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667698491 487722411 /nfs/dbraw/zinc/72/24/11/487722411.db2.gz DPJRKJLWSLBVFD-PHIMTYICSA-N 2 2 219.332 2.202 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667698491 487722417 /nfs/dbraw/zinc/72/24/17/487722417.db2.gz DPJRKJLWSLBVFD-PHIMTYICSA-N 2 2 219.332 2.202 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251327333 487753550 /nfs/dbraw/zinc/75/35/50/487753550.db2.gz XQGBSLOOFXNPKR-CFVMTHIKSA-N 2 2 248.370 2.186 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000251327333 487753549 /nfs/dbraw/zinc/75/35/49/487753549.db2.gz XQGBSLOOFXNPKR-CFVMTHIKSA-N 2 2 248.370 2.186 20 0 BEADLP CC[C@@](C)(C[NH2+][C@@H](C)C[NH+]1CCCCC1)OC ZINC000233959476 487755291 /nfs/dbraw/zinc/75/52/91/487755291.db2.gz NQTOUMDNXREEKQ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000234190237 487770851 /nfs/dbraw/zinc/77/08/51/487770851.db2.gz LWSGYEMMMFRKLK-OAHLLOKOSA-N 2 2 232.371 2.481 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000414961377 487778980 /nfs/dbraw/zinc/77/89/80/487778980.db2.gz VRTYOULSWXLUPN-MKNKUNMXSA-N 2 2 230.355 2.430 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](CO)C2CCC2)c[nH+]1 ZINC000668457129 487781205 /nfs/dbraw/zinc/78/12/05/487781205.db2.gz ZUBPASWJOKIWDB-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459032 487783574 /nfs/dbraw/zinc/78/35/74/487783574.db2.gz OQLUQNNYOXOZTA-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459032 487783577 /nfs/dbraw/zinc/78/35/77/487783577.db2.gz OQLUQNNYOXOZTA-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC000300666709 487788437 /nfs/dbraw/zinc/78/84/37/487788437.db2.gz HOCHMQQRBPDLDZ-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC000300666709 487788443 /nfs/dbraw/zinc/78/84/43/487788443.db2.gz HOCHMQQRBPDLDZ-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000234363663 487808666 /nfs/dbraw/zinc/80/86/66/487808666.db2.gz XKMXRBLOQIYBGQ-SNVBAGLBSA-N 2 2 226.751 2.346 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1C ZINC000039781756 487813387 /nfs/dbraw/zinc/81/33/87/487813387.db2.gz WVIMALIBOGENEI-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1C ZINC000039781756 487813391 /nfs/dbraw/zinc/81/33/91/487813391.db2.gz WVIMALIBOGENEI-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401794500 487832298 /nfs/dbraw/zinc/83/22/98/487832298.db2.gz YFIGUXYTWRBRDX-WFASDCNBSA-N 2 2 232.371 2.337 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000681743423 487851624 /nfs/dbraw/zinc/85/16/24/487851624.db2.gz LRJQAMSYXKYAFE-YPMHNXCESA-N 2 2 233.359 2.366 20 0 BEADLP c1cc2cc(C[NH2+]C[C@H]3CCC[NH2+]3)ccc2cn1 ZINC000666783869 487857697 /nfs/dbraw/zinc/85/76/97/487857697.db2.gz BPPCXSNSALPUON-OAHLLOKOSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000666857855 487873515 /nfs/dbraw/zinc/87/35/15/487873515.db2.gz MLSWVSPOVXXBAL-OAHLLOKOSA-N 3 2 247.386 2.054 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768194 487875899 /nfs/dbraw/zinc/87/58/99/487875899.db2.gz BHUUJJOSIUXXPC-AWEZNQCLSA-N 2 2 236.334 2.366 20 0 BEADLP COc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1C ZINC000666770670 487876699 /nfs/dbraw/zinc/87/66/99/487876699.db2.gz PEACULLPNZFOIS-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000666770860 487876865 /nfs/dbraw/zinc/87/68/65/487876865.db2.gz WAEOCTVSVGERHN-HNNXBMFYSA-N 2 2 247.386 2.054 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000666770860 487876870 /nfs/dbraw/zinc/87/68/70/487876870.db2.gz WAEOCTVSVGERHN-HNNXBMFYSA-N 3 2 247.386 2.054 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000666814161 487884652 /nfs/dbraw/zinc/88/46/52/487884652.db2.gz QQIMVEURDSBANP-AWEZNQCLSA-N 2 2 230.355 2.406 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000093061886 487887636 /nfs/dbraw/zinc/88/76/36/487887636.db2.gz ICRHUBBZTAKLBR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000093061886 487887641 /nfs/dbraw/zinc/88/76/41/487887641.db2.gz ICRHUBBZTAKLBR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234899832 487889395 /nfs/dbraw/zinc/88/93/95/487889395.db2.gz GEPRHIBSVONAPJ-QWHCGFSZSA-N 2 2 248.370 2.488 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc2cnccc21 ZINC000666877428 487895992 /nfs/dbraw/zinc/89/59/92/487895992.db2.gz ZXVCUVUPNPCWMA-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666910471 487901163 /nfs/dbraw/zinc/90/11/63/487901163.db2.gz SLSGFYNLYCUJMW-LBPRGKRZSA-N 2 2 229.327 2.062 20 0 BEADLP CCc1ccc(C[N@H+](C)CC2C[NH+](C)C2)s1 ZINC000668539670 487904626 /nfs/dbraw/zinc/90/46/26/487904626.db2.gz HSMGSOLOPBMQNE-UHFFFAOYSA-N 2 2 238.400 2.304 20 0 BEADLP CCc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)s1 ZINC000668539670 487904633 /nfs/dbraw/zinc/90/46/33/487904633.db2.gz HSMGSOLOPBMQNE-UHFFFAOYSA-N 2 2 238.400 2.304 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946422 487910039 /nfs/dbraw/zinc/91/00/39/487910039.db2.gz BHDOHLZFGYEKPH-CYDGBPFRSA-N 2 2 230.371 2.491 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000666946719 487911269 /nfs/dbraw/zinc/91/12/69/487911269.db2.gz NEBJJZMSRVNFQC-RQJABVFESA-N 2 2 240.366 2.245 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666947602 487911303 /nfs/dbraw/zinc/91/13/03/487911303.db2.gz CJMJACQYWCBXMU-VOAKCMCISA-N 2 2 228.355 2.102 20 0 BEADLP C[C@@H](CCCCO)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000679332028 487912373 /nfs/dbraw/zinc/91/23/73/487912373.db2.gz CVWMFBOEQHGQSG-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](CCCCO)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000679332028 487912378 /nfs/dbraw/zinc/91/23/78/487912378.db2.gz CVWMFBOEQHGQSG-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@H](CCCCO)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000679332030 487912633 /nfs/dbraw/zinc/91/26/33/487912633.db2.gz CVWMFBOEQHGQSG-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@H](CCCCO)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000679332030 487912638 /nfs/dbraw/zinc/91/26/38/487912638.db2.gz CVWMFBOEQHGQSG-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000652352588 487930400 /nfs/dbraw/zinc/93/04/00/487930400.db2.gz BSJUPXMOFPDKBR-DYEKYZERSA-N 2 2 249.358 2.105 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000652352588 487930406 /nfs/dbraw/zinc/93/04/06/487930406.db2.gz BSJUPXMOFPDKBR-DYEKYZERSA-N 2 2 249.358 2.105 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(F)c1 ZINC000113602495 487950971 /nfs/dbraw/zinc/95/09/71/487950971.db2.gz AKQKYNMQRXZUBA-JTQLQIEISA-N 2 2 210.296 2.167 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(F)c1 ZINC000113602495 487950975 /nfs/dbraw/zinc/95/09/75/487950975.db2.gz AKQKYNMQRXZUBA-JTQLQIEISA-N 2 2 210.296 2.167 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000566500773 323003767 /nfs/dbraw/zinc/00/37/67/323003767.db2.gz QUUNUABATQKPNC-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000566500773 323003768 /nfs/dbraw/zinc/00/37/68/323003768.db2.gz QUUNUABATQKPNC-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)(C)C ZINC000131079649 323012467 /nfs/dbraw/zinc/01/24/67/323012467.db2.gz GPDUHXSTQZXIAE-WDEREUQCSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)(C)C ZINC000131079649 323012468 /nfs/dbraw/zinc/01/24/68/323012468.db2.gz GPDUHXSTQZXIAE-WDEREUQCSA-N 2 2 212.381 2.493 20 0 BEADLP Cc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)s1 ZINC000570225280 323053636 /nfs/dbraw/zinc/05/36/36/323053636.db2.gz HQWWZCASMUNMNZ-UHFFFAOYSA-N 2 2 235.356 2.388 20 0 BEADLP COc1ccc(C)cc1C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160001605 323057274 /nfs/dbraw/zinc/05/72/74/323057274.db2.gz QJPBTUQMFCDBGO-CQSZACIVSA-N 2 2 248.370 2.173 20 0 BEADLP COc1ccc(C)cc1C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160001605 323057275 /nfs/dbraw/zinc/05/72/75/323057275.db2.gz QJPBTUQMFCDBGO-CQSZACIVSA-N 2 2 248.370 2.173 20 0 BEADLP C[NH+](C)C1(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000397870299 323099505 /nfs/dbraw/zinc/09/95/05/323099505.db2.gz SKBOOXNFVQNLNQ-UHFFFAOYSA-N 2 2 243.354 2.352 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(CC)s1 ZINC000563429739 323125081 /nfs/dbraw/zinc/12/50/81/323125081.db2.gz YTHLMODXEYZKTO-SNVBAGLBSA-N 2 2 226.389 2.398 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)sc1C ZINC000563429707 323125128 /nfs/dbraw/zinc/12/51/28/323125128.db2.gz OOENARQKTMEOKF-SECBINFHSA-N 2 2 226.389 2.453 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000245942217 323126130 /nfs/dbraw/zinc/12/61/30/323126130.db2.gz UTUPKJXRGBYQJR-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000245942217 323126131 /nfs/dbraw/zinc/12/61/31/323126131.db2.gz UTUPKJXRGBYQJR-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000310026994 323127353 /nfs/dbraw/zinc/12/73/53/323127353.db2.gz PVFHIYOIFYEVQW-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000310026994 323127354 /nfs/dbraw/zinc/12/73/54/323127354.db2.gz PVFHIYOIFYEVQW-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP Cn1c[nH+]cc1CCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000563545770 323129583 /nfs/dbraw/zinc/12/95/83/323129583.db2.gz PXJAFMQLBMEVEG-STQMWFEESA-N 2 2 233.359 2.085 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1F ZINC000414942584 323152166 /nfs/dbraw/zinc/15/21/66/323152166.db2.gz ZVADTHDMQQJYMH-YGRLFVJLSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1F ZINC000414942582 323152180 /nfs/dbraw/zinc/15/21/80/323152180.db2.gz ZVADTHDMQQJYMH-IINYFYTJSA-N 2 2 236.334 2.222 20 0 BEADLP CCOc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000563733212 323176629 /nfs/dbraw/zinc/17/66/29/323176629.db2.gz PAKUMBPCANICFA-UHFFFAOYSA-N 2 2 248.370 2.268 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529669719 323185881 /nfs/dbraw/zinc/18/58/81/323185881.db2.gz OEUQRPASGIDEDG-MBNYWOFBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000529669719 323185882 /nfs/dbraw/zinc/18/58/82/323185882.db2.gz OEUQRPASGIDEDG-MBNYWOFBSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccncc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395091960 323186980 /nfs/dbraw/zinc/18/69/80/323186980.db2.gz VFAIHQFWQRTACP-TZMCWYRMSA-N 2 2 233.359 2.010 20 0 BEADLP CCOc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000535760096 323190700 /nfs/dbraw/zinc/19/07/00/323190700.db2.gz LOGTVOZNWQOIFI-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000116386727 323205062 /nfs/dbraw/zinc/20/50/62/323205062.db2.gz GEADAQSZHXOSHJ-LSDHHAIUSA-N 2 2 232.371 2.301 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000116386727 323205063 /nfs/dbraw/zinc/20/50/63/323205063.db2.gz GEADAQSZHXOSHJ-LSDHHAIUSA-N 2 2 232.371 2.301 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530218464 323217709 /nfs/dbraw/zinc/21/77/09/323217709.db2.gz WEOQTPLJGZMUCV-OCCSQVGLSA-N 2 2 245.370 2.325 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCOCC1 ZINC000532442624 323264939 /nfs/dbraw/zinc/26/49/39/323264939.db2.gz WPIQYUVAYUICCN-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000309374078 323349308 /nfs/dbraw/zinc/34/93/08/323349308.db2.gz CKGJNTKBXXYNGR-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000309374078 323349311 /nfs/dbraw/zinc/34/93/11/323349311.db2.gz CKGJNTKBXXYNGR-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321341864 323380555 /nfs/dbraw/zinc/38/05/55/323380555.db2.gz BMXOJSYYQCZMAQ-REWJHTLYSA-N 2 2 224.392 2.495 20 0 BEADLP CC1(C)CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000572308810 323592511 /nfs/dbraw/zinc/59/25/11/323592511.db2.gz PYKVUXXIDQQUFK-UHFFFAOYSA-N 2 2 233.359 2.498 20 0 BEADLP COc1ccc[nH+]c1N(C)CCC[NH+]1CCCC1 ZINC000527996093 323733680 /nfs/dbraw/zinc/73/36/80/323733680.db2.gz OTOSVTXKAVIDPL-UHFFFAOYSA-N 2 2 249.358 2.012 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1(C)CC1 ZINC000045105779 323837464 /nfs/dbraw/zinc/83/74/64/323837464.db2.gz CTRSQXLYDWDWJL-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529529551 324325707 /nfs/dbraw/zinc/32/57/07/324325707.db2.gz BYSQKQUSVGBBPF-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529529551 324325710 /nfs/dbraw/zinc/32/57/10/324325710.db2.gz BYSQKQUSVGBBPF-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538061 324330060 /nfs/dbraw/zinc/33/00/60/324330060.db2.gz JVASXCJCAUTPES-KOLCDFICSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538061 324330062 /nfs/dbraw/zinc/33/00/62/324330062.db2.gz JVASXCJCAUTPES-KOLCDFICSA-N 2 2 244.329 2.247 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(F)cn1 ZINC000529542814 324332789 /nfs/dbraw/zinc/33/27/89/324332789.db2.gz LESYPZVHAXNJPX-UHFFFAOYSA-N 2 2 245.301 2.256 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC(F)(F)C1 ZINC000529552592 324339247 /nfs/dbraw/zinc/33/92/47/324339247.db2.gz RLFMDRSQHYDHJT-JTQLQIEISA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530215665 324530873 /nfs/dbraw/zinc/53/08/73/324530873.db2.gz HQYJUSIEZIJCGA-KBPBESRZSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cncc(F)c1 ZINC000530216639 324532167 /nfs/dbraw/zinc/53/21/67/324532167.db2.gz CPKKOXXOCUYLQT-ZWNOBZJWSA-N 2 2 249.333 2.156 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000070717621 325026394 /nfs/dbraw/zinc/02/63/94/325026394.db2.gz VQJQQTZEXOLNCT-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000070717621 325026395 /nfs/dbraw/zinc/02/63/95/325026395.db2.gz VQJQQTZEXOLNCT-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000130264003 325031994 /nfs/dbraw/zinc/03/19/94/325031994.db2.gz NIMFXNOIGWOSKP-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000130905631 325101063 /nfs/dbraw/zinc/10/10/63/325101063.db2.gz BLXSZNSTLWTURM-UHFFFAOYSA-N 2 2 219.332 2.004 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C(C1CC1)C1CC1 ZINC000130905631 325101067 /nfs/dbraw/zinc/10/10/67/325101067.db2.gz BLXSZNSTLWTURM-UHFFFAOYSA-N 2 2 219.332 2.004 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+](C)C1CC1 ZINC000131080085 325113083 /nfs/dbraw/zinc/11/30/83/325113083.db2.gz HMJMYILWWPEDND-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+](C)C1CC1 ZINC000131080085 325113084 /nfs/dbraw/zinc/11/30/84/325113084.db2.gz HMJMYILWWPEDND-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131462060 325153431 /nfs/dbraw/zinc/15/34/31/325153431.db2.gz BMOXADKKTIIJHL-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131462060 325153433 /nfs/dbraw/zinc/15/34/33/325153433.db2.gz BMOXADKKTIIJHL-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000132050420 325196109 /nfs/dbraw/zinc/19/61/09/325196109.db2.gz DWDNVUXPCIUWSB-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000133145860 325271423 /nfs/dbraw/zinc/27/14/23/325271423.db2.gz XUWFBJPFQFZKTA-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000133145860 325271424 /nfs/dbraw/zinc/27/14/24/325271424.db2.gz XUWFBJPFQFZKTA-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000554095536 325706334 /nfs/dbraw/zinc/70/63/34/325706334.db2.gz PYXCTYOTAIOFCE-AAEUAGOBSA-N 2 2 233.359 2.498 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000564828069 325813475 /nfs/dbraw/zinc/81/34/75/325813475.db2.gz WHGFMXHNQAITPQ-RISCZKNCSA-N 2 2 248.370 2.392 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000565593376 325931635 /nfs/dbraw/zinc/93/16/35/325931635.db2.gz SVJZVHNOEXATNY-RFHZTLPTSA-N 2 2 248.370 2.491 20 0 BEADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C(C)(C)C1 ZINC000566413151 326041421 /nfs/dbraw/zinc/04/14/21/326041421.db2.gz BWNGBOZGTXPVHT-LBPRGKRZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C(C)(C)C1 ZINC000566413151 326041423 /nfs/dbraw/zinc/04/14/23/326041423.db2.gz BWNGBOZGTXPVHT-LBPRGKRZSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1(C)CC1)CCC2 ZINC000566891105 326091387 /nfs/dbraw/zinc/09/13/87/326091387.db2.gz VQTXOBTVNDZDMK-GFCCVEGCSA-N 2 2 233.359 2.459 20 0 BEADLP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566893692 326091448 /nfs/dbraw/zinc/09/14/48/326091448.db2.gz OPQGCCAKHGTZBE-FRRDWIJNSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566893692 326091450 /nfs/dbraw/zinc/09/14/50/326091450.db2.gz OPQGCCAKHGTZBE-FRRDWIJNSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566893692 326091451 /nfs/dbraw/zinc/09/14/51/326091451.db2.gz OPQGCCAKHGTZBE-FRRDWIJNSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566893692 326091453 /nfs/dbraw/zinc/09/14/53/326091453.db2.gz OPQGCCAKHGTZBE-FRRDWIJNSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1F ZINC000566961466 326097421 /nfs/dbraw/zinc/09/74/21/326097421.db2.gz UXVALRINKHSXRD-NSHDSACASA-N 2 2 228.286 2.038 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)C1 ZINC000567522084 326210082 /nfs/dbraw/zinc/21/00/82/326210082.db2.gz FUXNYSNWRZDEQC-MOKVOYLWSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC2(CCC2)C1 ZINC000567747858 326254496 /nfs/dbraw/zinc/25/44/96/326254496.db2.gz BMBGCOCJASYLJH-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC2(CCC2)C1 ZINC000567747858 326254497 /nfs/dbraw/zinc/25/44/97/326254497.db2.gz BMBGCOCJASYLJH-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP CC[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568645142 326370430 /nfs/dbraw/zinc/37/04/30/326370430.db2.gz YZITYLVDUIORCO-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568645142 326370432 /nfs/dbraw/zinc/37/04/32/326370432.db2.gz YZITYLVDUIORCO-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cscn1 ZINC000568856706 326379329 /nfs/dbraw/zinc/37/93/29/326379329.db2.gz VQUHEUXSXANKMJ-ZYHUDNBSSA-N 2 2 239.388 2.183 20 0 BEADLP Cc1ccsc1CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000569239694 326397040 /nfs/dbraw/zinc/39/70/40/326397040.db2.gz ZKFZCPFGKCUWDV-UHFFFAOYSA-N 2 2 249.383 2.431 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072330 487986412 /nfs/dbraw/zinc/98/64/12/487986412.db2.gz JALCVJISSYYBHZ-VXGBXAGGSA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072330 487986419 /nfs/dbraw/zinc/98/64/19/487986419.db2.gz JALCVJISSYYBHZ-VXGBXAGGSA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072329 487987060 /nfs/dbraw/zinc/98/70/60/487987060.db2.gz JALCVJISSYYBHZ-RYUDHWBXSA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072329 487987062 /nfs/dbraw/zinc/98/70/62/487987062.db2.gz JALCVJISSYYBHZ-RYUDHWBXSA-N 2 2 207.321 2.319 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000159073078 487991053 /nfs/dbraw/zinc/99/10/53/487991053.db2.gz ZVDPQKLPBMJKQP-STQMWFEESA-N 2 2 248.370 2.092 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccncc1Cl ZINC000084084901 487998075 /nfs/dbraw/zinc/99/80/75/487998075.db2.gz WNZDUQNSQWLJKJ-SNVBAGLBSA-N 2 2 241.766 2.165 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000668617494 488014438 /nfs/dbraw/zinc/01/44/38/488014438.db2.gz YXFDJDXROAIWQI-MELADBBJSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502580 488031179 /nfs/dbraw/zinc/03/11/79/488031179.db2.gz IKNHELJCXCXOJD-ZDUSSCGKSA-N 2 2 233.359 2.450 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502580 488031184 /nfs/dbraw/zinc/03/11/84/488031184.db2.gz IKNHELJCXCXOJD-ZDUSSCGKSA-N 2 2 233.359 2.450 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)n1C ZINC000667517799 488036956 /nfs/dbraw/zinc/03/69/56/488036956.db2.gz GJUWFUVEOYTJKA-SNVBAGLBSA-N 2 2 233.359 2.491 20 0 BEADLP Cc1[nH+]cc(C[N@H+]([C@H](C)C2CC2)C2CC2)n1C ZINC000667517799 488036961 /nfs/dbraw/zinc/03/69/61/488036961.db2.gz GJUWFUVEOYTJKA-SNVBAGLBSA-N 2 2 233.359 2.491 20 0 BEADLP Cc1[nH+]cc(C[NH+]2C[C@@H](C)S[C@H](C)C2)n1C ZINC000667559557 488046379 /nfs/dbraw/zinc/04/63/79/488046379.db2.gz AVNLDNSLCFFNKX-NXEZZACHSA-N 2 2 239.388 2.054 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667567793 488049099 /nfs/dbraw/zinc/04/90/99/488049099.db2.gz IEAZYNKUVNPHIU-NWDGAFQWSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667567793 488049104 /nfs/dbraw/zinc/04/91/04/488049104.db2.gz IEAZYNKUVNPHIU-NWDGAFQWSA-N 2 2 233.359 2.450 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1C1CC1)CCC2 ZINC000667596416 488054687 /nfs/dbraw/zinc/05/46/87/488054687.db2.gz HJNJAZDEJCWDNB-ZDUSSCGKSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1C1CC1)CCC2 ZINC000667596416 488054692 /nfs/dbraw/zinc/05/46/92/488054692.db2.gz HJNJAZDEJCWDNB-ZDUSSCGKSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1C1CC1)CCC2 ZINC000667596415 488054925 /nfs/dbraw/zinc/05/49/25/488054925.db2.gz HJNJAZDEJCWDNB-CYBMUJFWSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1C1CC1)CCC2 ZINC000667596415 488054927 /nfs/dbraw/zinc/05/49/27/488054927.db2.gz HJNJAZDEJCWDNB-CYBMUJFWSA-N 2 2 231.343 2.204 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1C ZINC000667649175 488071845 /nfs/dbraw/zinc/07/18/45/488071845.db2.gz KWVTZFPKIQXMNX-NEPJUHHUSA-N 2 2 233.359 2.307 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1C ZINC000667649175 488071847 /nfs/dbraw/zinc/07/18/47/488071847.db2.gz KWVTZFPKIQXMNX-NEPJUHHUSA-N 2 2 233.359 2.307 20 0 BEADLP Cc1cc(NC(=O)C[C@@H](C[NH3+])CC(C)C)cc[nH+]1 ZINC000092349898 488090891 /nfs/dbraw/zinc/09/08/91/488090891.db2.gz DSQPHLOFNUIGTE-LBPRGKRZSA-N 2 2 249.358 2.340 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389382512 488093422 /nfs/dbraw/zinc/09/34/22/488093422.db2.gz ICBURCUTZNJCNW-CRWXNKLISA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389382512 488093425 /nfs/dbraw/zinc/09/34/25/488093425.db2.gz ICBURCUTZNJCNW-CRWXNKLISA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccnc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000683018753 488094446 /nfs/dbraw/zinc/09/44/46/488094446.db2.gz IGBAOVNJSKISPG-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000389402017 488094451 /nfs/dbraw/zinc/09/44/51/488094451.db2.gz PVJXDKVBJJRZEQ-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccnc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000683018753 488094452 /nfs/dbraw/zinc/09/44/52/488094452.db2.gz IGBAOVNJSKISPG-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000389402017 488094455 /nfs/dbraw/zinc/09/44/55/488094455.db2.gz PVJXDKVBJJRZEQ-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000389490633 488098527 /nfs/dbraw/zinc/09/85/27/488098527.db2.gz ZNCBVQFFPPMQAS-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000389490633 488098534 /nfs/dbraw/zinc/09/85/34/488098534.db2.gz ZNCBVQFFPPMQAS-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683108799 488106231 /nfs/dbraw/zinc/10/62/31/488106231.db2.gz DMPRDCJVKGCMHY-AGIUHOORSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683108799 488106234 /nfs/dbraw/zinc/10/62/34/488106234.db2.gz DMPRDCJVKGCMHY-AGIUHOORSA-N 2 2 219.332 2.176 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000162087012 487536589 /nfs/dbraw/zinc/53/65/89/487536589.db2.gz XHZSESYOFBGBSX-VIFPVBQESA-N 2 2 212.724 2.038 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000162089676 487536772 /nfs/dbraw/zinc/53/67/72/487536772.db2.gz PGYKBFOWBAOIJL-NSHDSACASA-N 2 2 206.333 2.001 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)C1CC1 ZINC000378959786 488113698 /nfs/dbraw/zinc/11/36/98/488113698.db2.gz PGLQBNDWVQBBJV-RFHZTLPTSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)C1CC1 ZINC000378959786 488113702 /nfs/dbraw/zinc/11/37/02/488113702.db2.gz PGLQBNDWVQBBJV-RFHZTLPTSA-N 2 2 222.376 2.247 20 0 BEADLP C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)[NH3+] ZINC000403177170 488116721 /nfs/dbraw/zinc/11/67/21/488116721.db2.gz PCMWDAAXTKYIIO-UTUOFQBUSA-N 2 2 210.365 2.092 20 0 BEADLP C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)CC(C)(C)[NH3+] ZINC000403177170 488116726 /nfs/dbraw/zinc/11/67/26/488116726.db2.gz PCMWDAAXTKYIIO-UTUOFQBUSA-N 2 2 210.365 2.092 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403632730 488130686 /nfs/dbraw/zinc/13/06/86/488130686.db2.gz FOZNGAOIIKQFGU-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000162123487 487539742 /nfs/dbraw/zinc/53/97/42/487539742.db2.gz XTWQWXOKMFIVEU-JTQLQIEISA-N 2 2 218.300 2.130 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000162138554 487539931 /nfs/dbraw/zinc/53/99/31/487539931.db2.gz LQWZIWZANIKBDP-JTQLQIEISA-N 2 2 218.300 2.130 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000086728542 487540223 /nfs/dbraw/zinc/54/02/23/487540223.db2.gz NNEUZVIDSBUEIP-QWHCGFSZSA-N 2 2 218.344 2.316 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)n1C ZINC000668243178 487541427 /nfs/dbraw/zinc/54/14/27/487541427.db2.gz VCYGJFZMKMNKHS-GARJFASQSA-N 2 2 221.348 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)n1C ZINC000668243178 487541429 /nfs/dbraw/zinc/54/14/29/487541429.db2.gz VCYGJFZMKMNKHS-GARJFASQSA-N 2 2 221.348 2.205 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+](C)CC(C)(C)[NH3+] ZINC000662293642 487542543 /nfs/dbraw/zinc/54/25/43/487542543.db2.gz HAQWHTLQZGDOKU-SECBINFHSA-N 2 2 222.323 2.337 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293642 487542548 /nfs/dbraw/zinc/54/25/48/487542548.db2.gz HAQWHTLQZGDOKU-SECBINFHSA-N 2 2 222.323 2.337 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382111738 487531338 /nfs/dbraw/zinc/53/13/38/487531338.db2.gz KRPSYXSZWCOBNW-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382111738 487531341 /nfs/dbraw/zinc/53/13/41/487531341.db2.gz KRPSYXSZWCOBNW-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668240413 487531251 /nfs/dbraw/zinc/53/12/51/487531251.db2.gz HVMDELPNHGPVKI-LLVKDONJSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668240413 487531253 /nfs/dbraw/zinc/53/12/53/487531253.db2.gz HVMDELPNHGPVKI-LLVKDONJSA-N 2 2 233.359 2.450 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H](C3CCC3)C1)CCC2 ZINC000668241162 487533134 /nfs/dbraw/zinc/53/31/34/487533134.db2.gz CUYPKQBYLVTSQG-ZDUSSCGKSA-N 2 2 245.370 2.451 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H](C3CCC3)C1)CCC2 ZINC000668241162 487533140 /nfs/dbraw/zinc/53/31/40/487533140.db2.gz CUYPKQBYLVTSQG-ZDUSSCGKSA-N 2 2 245.370 2.451 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccsc1 ZINC000061361768 487472250 /nfs/dbraw/zinc/47/22/50/487472250.db2.gz XXDHFWCXZZKJBN-MRVPVSSYSA-N 2 2 207.302 2.322 20 0 BEADLP Cc1ccnc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000685004165 487490803 /nfs/dbraw/zinc/49/08/03/487490803.db2.gz IGBUPTYQKCZPOJ-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ccnc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000685004165 487490808 /nfs/dbraw/zinc/49/08/08/487490808.db2.gz IGBUPTYQKCZPOJ-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP C[C@H]1CC[C@H](C[N@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997326 487497232 /nfs/dbraw/zinc/49/72/32/487497232.db2.gz XWTPMPIGDYIRLG-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@H]1CC[C@H](C[N@@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997326 487497240 /nfs/dbraw/zinc/49/72/40/487497240.db2.gz XWTPMPIGDYIRLG-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC3(C2)CCCCC3)n1C ZINC000668231407 487497563 /nfs/dbraw/zinc/49/75/63/487497563.db2.gz YJVUUWLEZVYYAQ-UHFFFAOYSA-N 2 2 233.359 2.495 20 0 BEADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094088885 487513331 /nfs/dbraw/zinc/51/33/31/487513331.db2.gz FMYZKPPJNVGQRM-NSHDSACASA-N 2 2 244.260 2.157 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC(C(C)(C)C)C2)n1C ZINC000668234366 487510540 /nfs/dbraw/zinc/51/05/40/487510540.db2.gz GRFGSUWXLGWDGS-UHFFFAOYSA-N 2 2 221.348 2.206 20 0 BEADLP Fc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000232104225 487510679 /nfs/dbraw/zinc/51/06/79/487510679.db2.gz PVPWQLCVPZWOCQ-CYBMUJFWSA-N 2 2 222.307 2.057 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000666948059 487890880 /nfs/dbraw/zinc/89/08/80/487890880.db2.gz SAFDMFZNCFMURU-BNDIWNMDSA-N 2 2 228.355 2.101 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668540026 487905498 /nfs/dbraw/zinc/90/54/98/487905498.db2.gz UHMOQSVHFPMRDP-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1cc(F)ccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668540026 487905494 /nfs/dbraw/zinc/90/54/94/487905494.db2.gz UHMOQSVHFPMRDP-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000258823474 488136966 /nfs/dbraw/zinc/13/69/66/488136966.db2.gz FLYUVNOSVINSME-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP CCC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000403779001 488137487 /nfs/dbraw/zinc/13/74/87/488137487.db2.gz XDXIVFUSFSEBNQ-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP CCC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000403779001 488137488 /nfs/dbraw/zinc/13/74/88/488137488.db2.gz XDXIVFUSFSEBNQ-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000258828475 488138445 /nfs/dbraw/zinc/13/84/45/488138445.db2.gz VQLSVFVSZVTOLZ-LLVKDONJSA-N 2 2 204.317 2.089 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667913921 488155722 /nfs/dbraw/zinc/15/57/22/488155722.db2.gz UEHKFYMIYGIOLQ-HUUCEWRRSA-N 2 2 246.354 2.090 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H](C)C2)n1C ZINC000668001627 488180386 /nfs/dbraw/zinc/18/03/86/488180386.db2.gz WGVPIXKAGFJSAU-LLVKDONJSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H](C)C2)n1C ZINC000668001627 488180390 /nfs/dbraw/zinc/18/03/90/488180390.db2.gz WGVPIXKAGFJSAU-LLVKDONJSA-N 2 2 221.348 2.351 20 0 BEADLP CC(C)COCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000167598579 488180748 /nfs/dbraw/zinc/18/07/48/488180748.db2.gz AQWZWJHVBKIISN-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000167598579 488180754 /nfs/dbraw/zinc/18/07/54/488180754.db2.gz AQWZWJHVBKIISN-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668002998 488181433 /nfs/dbraw/zinc/18/14/33/488181433.db2.gz DUMRRUUDNLLNLC-GXFFZTMASA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668002998 488181437 /nfs/dbraw/zinc/18/14/37/488181437.db2.gz DUMRRUUDNLLNLC-GXFFZTMASA-N 2 2 221.348 2.349 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000310675714 488187521 /nfs/dbraw/zinc/18/75/21/488187521.db2.gz JHRGAPPIPKEQSN-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccnc2ccccc12 ZINC000310675714 488187524 /nfs/dbraw/zinc/18/75/24/488187524.db2.gz JHRGAPPIPKEQSN-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H](C3CC3)C1)CCC2 ZINC000668174983 488214634 /nfs/dbraw/zinc/21/46/34/488214634.db2.gz GOORHBMQALFCIP-ZDUSSCGKSA-N 2 2 245.370 2.451 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H](C3CC3)C1)CCC2 ZINC000668174983 488214640 /nfs/dbraw/zinc/21/46/40/488214640.db2.gz GOORHBMQALFCIP-ZDUSSCGKSA-N 2 2 245.370 2.451 20 0 BEADLP Cc1nc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000683900231 488241722 /nfs/dbraw/zinc/24/17/22/488241722.db2.gz RRIGNPMSPVVMKV-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000683900231 488241725 /nfs/dbraw/zinc/24/17/25/488241725.db2.gz RRIGNPMSPVVMKV-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000678541872 488265299 /nfs/dbraw/zinc/26/52/99/488265299.db2.gz AMRCIYOQDYPIEE-QWHCGFSZSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000678541872 488265301 /nfs/dbraw/zinc/26/53/01/488265301.db2.gz AMRCIYOQDYPIEE-QWHCGFSZSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)C(C)(C)O)c[nH+]1 ZINC000684374549 488302412 /nfs/dbraw/zinc/30/24/12/488302412.db2.gz LGDHPRFYGJDYBA-GFCCVEGCSA-N 2 2 236.359 2.072 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000679037872 488304356 /nfs/dbraw/zinc/30/43/56/488304356.db2.gz CQRREXWADRSHSD-UHFFFAOYSA-N 2 2 245.326 2.012 20 0 BEADLP Cc1ccc(CCC[NH2+]C2(CO)CCCC2)c[nH+]1 ZINC000684390857 488304692 /nfs/dbraw/zinc/30/46/92/488304692.db2.gz OCZXSUUZFHHEKP-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP Cc1c[nH+]ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684572858 488328265 /nfs/dbraw/zinc/32/82/65/488328265.db2.gz LNQPNUGEMWBCQE-CYBMUJFWSA-N 2 2 242.326 2.428 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@H](C)CCCCO)[NH+](C)C ZINC000679331053 488340216 /nfs/dbraw/zinc/34/02/16/488340216.db2.gz CNFIANNTBQJNON-KGLIPLIRSA-N 2 2 244.423 2.103 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H](C)CCCCO)[NH+](C)C ZINC000679331054 488340395 /nfs/dbraw/zinc/34/03/95/488340395.db2.gz CNFIANNTBQJNON-UONOGXRCSA-N 2 2 244.423 2.103 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCCCO ZINC000679332306 488340761 /nfs/dbraw/zinc/34/07/61/488340761.db2.gz UJRNIGITZIWGGD-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCCCO ZINC000679340913 488341763 /nfs/dbraw/zinc/34/17/63/488341763.db2.gz TYQLBCSFXLTOEF-KGLIPLIRSA-N 2 2 244.423 2.103 20 0 BEADLP C[C@H]1CCC(C)(C)[N@@H+]1CCc1c[nH+]cn1C ZINC000334798031 490099717 /nfs/dbraw/zinc/09/97/17/490099717.db2.gz PVJZFMGHEOMCQI-NSHDSACASA-N 2 2 221.348 2.226 20 0 BEADLP C[C@H]1CCC(C)(C)[N@H+]1CCc1c[nH+]cn1C ZINC000334798031 490099719 /nfs/dbraw/zinc/09/97/19/490099719.db2.gz PVJZFMGHEOMCQI-NSHDSACASA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210747 490225646 /nfs/dbraw/zinc/22/56/46/490225646.db2.gz WNTJGWUCHZSNGW-BEAPCOKYSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210747 490225650 /nfs/dbraw/zinc/22/56/50/490225650.db2.gz WNTJGWUCHZSNGW-BEAPCOKYSA-N 2 2 236.403 2.495 20 0 BEADLP CO[C@@H](C[N@H+](C)C1(C[NH3+])CCC1)c1ccccc1 ZINC000395508273 490339004 /nfs/dbraw/zinc/33/90/04/490339004.db2.gz OHOJYQNGYKLWCR-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CO[C@@H](C[N@@H+](C)C1(C[NH3+])CCC1)c1ccccc1 ZINC000395508273 490339008 /nfs/dbraw/zinc/33/90/08/490339008.db2.gz OHOJYQNGYKLWCR-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CCc1ccccc1C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000133081816 490542153 /nfs/dbraw/zinc/54/21/53/490542153.db2.gz AWMHDBDLKOHDGP-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000133081816 490542156 /nfs/dbraw/zinc/54/21/56/490542156.db2.gz AWMHDBDLKOHDGP-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000651910715 491077913 /nfs/dbraw/zinc/07/79/13/491077913.db2.gz GBCNOWIGAVVGIR-HNKHHVNMSA-N 2 2 244.382 2.391 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000651910715 491077915 /nfs/dbraw/zinc/07/79/15/491077915.db2.gz GBCNOWIGAVVGIR-HNKHHVNMSA-N 2 2 244.382 2.391 20 0 BEADLP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)ccc1F ZINC000668539586 491127482 /nfs/dbraw/zinc/12/74/82/491127482.db2.gz DMUREXPAOLVTSU-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)ccc1F ZINC000668539586 491127483 /nfs/dbraw/zinc/12/74/83/491127483.db2.gz DMUREXPAOLVTSU-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000308992183 491142019 /nfs/dbraw/zinc/14/20/19/491142019.db2.gz LLLHYUAERCVNTP-VXGBXAGGSA-N 2 2 212.381 2.351 20 0 BEADLP CC1(C[NH2+]CCCCn2cc[nH+]c2)CCC1 ZINC000309290317 491147152 /nfs/dbraw/zinc/14/71/52/491147152.db2.gz PXMHPBZRACCUOJ-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000309373215 491147634 /nfs/dbraw/zinc/14/76/34/491147634.db2.gz QVWAHOZLNURSLY-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000309373215 491147635 /nfs/dbraw/zinc/14/76/35/491147635.db2.gz QVWAHOZLNURSLY-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000309074614 533735112 /nfs/dbraw/zinc/73/51/12/533735112.db2.gz IUYNHMZVEWEPHN-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000309074615 533735116 /nfs/dbraw/zinc/73/51/16/533735116.db2.gz IUYNHMZVEWEPHN-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000494884702 533948799 /nfs/dbraw/zinc/94/87/99/533948799.db2.gz YXLDBSQTGOESJI-DYEKYZERSA-N 2 2 247.386 2.396 20 0 BEADLP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400566370 534817579 /nfs/dbraw/zinc/81/75/79/534817579.db2.gz IWOKOUODBWKXKV-CMPLNLGQSA-N 2 2 224.373 2.287 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000892440760 582887959 /nfs/dbraw/zinc/88/79/59/582887959.db2.gz FLTRGHXSSNOXJU-LLVKDONJSA-N 2 2 227.377 2.004 20 0 BEADLP CC(C)C(C[NH2+]CCn1cc[nH+]c1)C(C)C ZINC000304385358 527587859 /nfs/dbraw/zinc/58/78/59/527587859.db2.gz LLZSWPQOYNFZCF-UHFFFAOYSA-N 2 2 223.364 2.401 20 0 BEADLP CC(C)C(C[NH2+][C@@H](C)C[NH+](C)C)C(C)C ZINC000308808546 527588844 /nfs/dbraw/zinc/58/88/44/527588844.db2.gz PXCXGVLXDBAJJE-LBPRGKRZSA-N 2 2 214.397 2.454 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000488437624 527628880 /nfs/dbraw/zinc/62/88/80/527628880.db2.gz ZOLLFWWBCJADAU-XZNOPERXSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000488437624 527628885 /nfs/dbraw/zinc/62/88/85/527628885.db2.gz ZOLLFWWBCJADAU-XZNOPERXSA-N 2 2 236.403 2.493 20 0 BEADLP CC[N@H+](C)CC[NH2+]CC(C(C)C)C(C)C ZINC000308789241 527800553 /nfs/dbraw/zinc/80/05/53/527800553.db2.gz AGEKLLQTJCUDAI-UHFFFAOYSA-N 2 2 214.397 2.456 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CC(C(C)C)C(C)C ZINC000308789241 527800556 /nfs/dbraw/zinc/80/05/56/527800556.db2.gz AGEKLLQTJCUDAI-UHFFFAOYSA-N 2 2 214.397 2.456 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C)CC1 ZINC000082491038 535279963 /nfs/dbraw/zinc/27/99/63/535279963.db2.gz AULLSDBXLWOAOU-CHWSQXEVSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C)CC1 ZINC000082491038 535279969 /nfs/dbraw/zinc/27/99/69/535279969.db2.gz AULLSDBXLWOAOU-CHWSQXEVSA-N 2 2 212.381 2.482 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334395433 535328110 /nfs/dbraw/zinc/32/81/10/535328110.db2.gz BKPZSVZERJKSKQ-MNOVXSKESA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334395433 535328113 /nfs/dbraw/zinc/32/81/13/535328113.db2.gz BKPZSVZERJKSKQ-MNOVXSKESA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000393792889 582925184 /nfs/dbraw/zinc/92/51/84/582925184.db2.gz HUVNTYQSBAOGIU-OLZOCXBDSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000393792889 582925187 /nfs/dbraw/zinc/92/51/87/582925187.db2.gz HUVNTYQSBAOGIU-OLZOCXBDSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000393792887 582925207 /nfs/dbraw/zinc/92/52/07/582925207.db2.gz HUVNTYQSBAOGIU-CHWSQXEVSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000393792887 582925211 /nfs/dbraw/zinc/92/52/11/582925211.db2.gz HUVNTYQSBAOGIU-CHWSQXEVSA-N 2 2 222.376 2.249 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000261968423 536156661 /nfs/dbraw/zinc/15/66/61/536156661.db2.gz QAOLWAVPFQTPDY-UHFFFAOYSA-N 2 2 248.370 2.053 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000261968423 536156663 /nfs/dbraw/zinc/15/66/63/536156663.db2.gz QAOLWAVPFQTPDY-UHFFFAOYSA-N 2 2 248.370 2.053 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534151 536180324 /nfs/dbraw/zinc/18/03/24/536180324.db2.gz NPNKKRKEXRDNGM-SMDDNHRTSA-N 2 2 218.344 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534151 536180326 /nfs/dbraw/zinc/18/03/26/536180326.db2.gz NPNKKRKEXRDNGM-SMDDNHRTSA-N 2 2 218.344 2.028 20 0 BEADLP C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000053204695 536365360 /nfs/dbraw/zinc/36/53/60/536365360.db2.gz XYWNNNQWILXPBD-GFCCVEGCSA-N 2 2 248.374 2.097 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261833658 536375572 /nfs/dbraw/zinc/37/55/72/536375572.db2.gz JFPOIELVHUYMJJ-BXUZGUMPSA-N 2 2 236.334 2.223 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261833658 536375574 /nfs/dbraw/zinc/37/55/74/536375574.db2.gz JFPOIELVHUYMJJ-BXUZGUMPSA-N 2 2 236.334 2.223 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348245398 536375887 /nfs/dbraw/zinc/37/58/87/536375887.db2.gz OKRLSHZAWNVDGN-OAGGEKHMSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348245398 536375890 /nfs/dbraw/zinc/37/58/90/536375890.db2.gz OKRLSHZAWNVDGN-OAGGEKHMSA-N 2 2 244.382 2.474 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C)s1 ZINC000169222365 536458720 /nfs/dbraw/zinc/45/87/20/536458720.db2.gz UPKPGKHEMJQZGM-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C)s1 ZINC000169222365 536458723 /nfs/dbraw/zinc/45/87/23/536458723.db2.gz UPKPGKHEMJQZGM-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C1CCCC1 ZINC000166830940 536511240 /nfs/dbraw/zinc/51/12/40/536511240.db2.gz XNZPZVHWGDRCCG-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCCC1 ZINC000166830940 536511243 /nfs/dbraw/zinc/51/12/43/536511243.db2.gz XNZPZVHWGDRCCG-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP Cn1c[nH+]cc1CNc1cc[nH+]cc1Cl ZINC000308859631 582896259 /nfs/dbraw/zinc/89/62/59/582896259.db2.gz YRWQAUGTYCWUSN-UHFFFAOYSA-N 2 2 222.679 2.081 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH+]1Cc2ccccc2C1 ZINC000894005859 583273351 /nfs/dbraw/zinc/27/33/51/583273351.db2.gz MDSACKXKRTXNSR-UHFFFAOYSA-N 2 2 239.322 2.488 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)co2)C1 ZINC000894087232 583298460 /nfs/dbraw/zinc/29/84/60/583298460.db2.gz VYUSKVWHMLLLEX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)co2)C1 ZINC000894087232 583298462 /nfs/dbraw/zinc/29/84/62/583298462.db2.gz VYUSKVWHMLLLEX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)co2)C1 ZINC000894087232 583298465 /nfs/dbraw/zinc/29/84/65/583298465.db2.gz VYUSKVWHMLLLEX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)co2)C1 ZINC000894087232 583298468 /nfs/dbraw/zinc/29/84/68/583298468.db2.gz VYUSKVWHMLLLEX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Fc1ccccc1OCCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894155402 583320055 /nfs/dbraw/zinc/32/00/55/583320055.db2.gz CPOTXRUKUJCPPI-UHFFFAOYSA-N 2 2 249.289 2.108 20 0 BEADLP COc1cc(C[NH2+]Cc2c[nH+]c[nH]2)ccc1C ZINC000894207650 583353638 /nfs/dbraw/zinc/35/36/38/583353638.db2.gz VAHRJDONQXYCIV-UHFFFAOYSA-N 2 2 231.299 2.017 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000894261092 583399535 /nfs/dbraw/zinc/39/95/35/583399535.db2.gz SYUCBTFXAXWXQD-LBPRGKRZSA-N 2 2 241.338 2.304 20 0 BEADLP COc1cc(CC[NH2+]Cc2c[nH+]c[nH]2)ccc1C ZINC000894301152 583415506 /nfs/dbraw/zinc/41/55/06/583415506.db2.gz WEHLWXFUTAXWBA-UHFFFAOYSA-N 2 2 245.326 2.059 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000894346973 583431543 /nfs/dbraw/zinc/43/15/43/583431543.db2.gz FOUITYAMJBMEBV-VIFPVBQESA-N 2 2 241.285 2.250 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000894346972 583431615 /nfs/dbraw/zinc/43/16/15/583431615.db2.gz FOUITYAMJBMEBV-SECBINFHSA-N 2 2 241.285 2.250 20 0 BEADLP Cc1cccc(C)c1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894352198 583433488 /nfs/dbraw/zinc/43/34/88/583433488.db2.gz LRTYBMGRUXZZKH-UHFFFAOYSA-N 2 2 229.327 2.359 20 0 BEADLP CCOc1cccc(CC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894358087 583437132 /nfs/dbraw/zinc/43/71/32/583437132.db2.gz BLKRXXREQNEJFL-UHFFFAOYSA-N 2 2 245.326 2.141 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000894421567 583454774 /nfs/dbraw/zinc/45/47/74/583454774.db2.gz WRVGRDNPUQKSOC-ZYHUDNBSSA-N 2 2 237.322 2.152 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000894421567 583454776 /nfs/dbraw/zinc/45/47/76/583454776.db2.gz WRVGRDNPUQKSOC-ZYHUDNBSSA-N 2 2 237.322 2.152 20 0 BEADLP COCCCC1(C[NH2+][C@@H](C)C[NH+](C)C)CCC1 ZINC000894445808 583460801 /nfs/dbraw/zinc/46/08/01/583460801.db2.gz MFSNCOBEPLAADA-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cccc2c1OCC2 ZINC000894450513 583462728 /nfs/dbraw/zinc/46/27/28/583462728.db2.gz WIBFSQYBSFFXHG-UHFFFAOYSA-N 2 2 248.370 2.005 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c1OCC2 ZINC000894450513 583462730 /nfs/dbraw/zinc/46/27/30/583462730.db2.gz WIBFSQYBSFFXHG-UHFFFAOYSA-N 2 2 248.370 2.005 20 0 BEADLP Cc1coc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000894776300 583517644 /nfs/dbraw/zinc/51/76/44/583517644.db2.gz GPWBBLJHRRHMLK-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Cc1coc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000894776300 583517647 /nfs/dbraw/zinc/51/76/47/583517647.db2.gz GPWBBLJHRRHMLK-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894786374 583521831 /nfs/dbraw/zinc/52/18/31/583521831.db2.gz HDOREMZZZKJRDR-NOZJJQNGSA-N 2 2 229.283 2.022 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000894844195 583530820 /nfs/dbraw/zinc/53/08/20/583530820.db2.gz XGFGDYIJIUANEX-LLVKDONJSA-N 2 2 241.404 2.084 20 0 BEADLP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894882629 583544726 /nfs/dbraw/zinc/54/47/26/583544726.db2.gz ISEWNGAOMREOQP-WDEREUQCSA-N 2 2 207.321 2.326 20 0 BEADLP CCC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)CC[NH2+]1 ZINC000895056655 583575268 /nfs/dbraw/zinc/57/52/68/583575268.db2.gz BQOXXRWQMAZCST-LBPRGKRZSA-N 2 2 248.374 2.178 20 0 BEADLP FC(F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246936362 583578020 /nfs/dbraw/zinc/57/80/20/583578020.db2.gz TZCGRZSEWOHRAX-ZYHUDNBSSA-N 2 2 244.329 2.200 20 0 BEADLP FC(F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246936362 583578022 /nfs/dbraw/zinc/57/80/22/583578022.db2.gz TZCGRZSEWOHRAX-ZYHUDNBSSA-N 2 2 244.329 2.200 20 0 BEADLP FC(F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246936362 583578023 /nfs/dbraw/zinc/57/80/23/583578023.db2.gz TZCGRZSEWOHRAX-ZYHUDNBSSA-N 2 2 244.329 2.200 20 0 BEADLP FC(F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246936362 583578025 /nfs/dbraw/zinc/57/80/25/583578025.db2.gz TZCGRZSEWOHRAX-ZYHUDNBSSA-N 2 2 244.329 2.200 20 0 BEADLP CC(C)(C)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000727466228 583655733 /nfs/dbraw/zinc/65/57/33/583655733.db2.gz ARTYPULDNQWDIQ-UHFFFAOYSA-N 2 2 244.342 2.403 20 0 BEADLP c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)co1 ZINC000727468303 583656646 /nfs/dbraw/zinc/65/66/46/583656646.db2.gz IEGSLCUSYAIOFT-UHFFFAOYSA-N 2 2 234.343 2.386 20 0 BEADLP CCN1CC[C@@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000895668615 583705462 /nfs/dbraw/zinc/70/54/62/583705462.db2.gz PAGCKVMJFUDEGH-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000895739973 583714116 /nfs/dbraw/zinc/71/41/16/583714116.db2.gz KXICZGRXNPYVLE-JQWIXIFHSA-N 2 2 246.358 2.167 20 0 BEADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000895739973 583714118 /nfs/dbraw/zinc/71/41/18/583714118.db2.gz KXICZGRXNPYVLE-JQWIXIFHSA-N 2 2 246.358 2.167 20 0 BEADLP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(CC)[nH+]1 ZINC000895734397 583716917 /nfs/dbraw/zinc/71/69/17/583716917.db2.gz LSONOUXOLLJVJJ-ZYHUDNBSSA-N 2 2 248.374 2.106 20 0 BEADLP C[C@@H]1[C@@H](Nc2cc[nH+]c3ccsc32)CC[N@@H+]1C ZINC000895738480 583719186 /nfs/dbraw/zinc/71/91/86/583719186.db2.gz WOZBNMYDNOAYEA-ZJUUUORDSA-N 2 2 247.367 2.223 20 0 BEADLP C[C@@H]1[C@@H](Nc2cc[nH+]c3ccsc32)CC[N@H+]1C ZINC000895738480 583719188 /nfs/dbraw/zinc/71/91/88/583719188.db2.gz WOZBNMYDNOAYEA-ZJUUUORDSA-N 2 2 247.367 2.223 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000896553606 583811542 /nfs/dbraw/zinc/81/15/42/583811542.db2.gz DPMCBRZIJLJVFG-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000896553606 583811543 /nfs/dbraw/zinc/81/15/43/583811543.db2.gz DPMCBRZIJLJVFG-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000896555929 583811868 /nfs/dbraw/zinc/81/18/68/583811868.db2.gz SFECNPUGHGDLBH-FRRDWIJNSA-N 2 2 208.349 2.167 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000896555929 583811869 /nfs/dbraw/zinc/81/18/69/583811869.db2.gz SFECNPUGHGDLBH-FRRDWIJNSA-N 2 2 208.349 2.167 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841028976 584026846 /nfs/dbraw/zinc/02/68/46/584026846.db2.gz KOTJGCQJKZAXGW-LLVKDONJSA-N 2 2 241.766 2.342 20 0 BEADLP Cl/C=C\C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932028 584030216 /nfs/dbraw/zinc/03/02/16/584030216.db2.gz SXKNIFONDUNLMI-CJHWANRJSA-N 2 2 225.723 2.273 20 0 BEADLP Cl/C=C\C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932028 584030219 /nfs/dbraw/zinc/03/02/19/584030219.db2.gz SXKNIFONDUNLMI-CJHWANRJSA-N 2 2 225.723 2.273 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)n1C ZINC000897960211 584067849 /nfs/dbraw/zinc/06/78/49/584067849.db2.gz ZSSNUZSNEFMHPX-KGYLQXTDSA-N 2 2 219.332 2.007 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000898034113 584078336 /nfs/dbraw/zinc/07/83/36/584078336.db2.gz IJYMITPQDDZJCK-LBPRGKRZSA-N 2 2 242.432 2.061 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000898034113 584078338 /nfs/dbraw/zinc/07/83/38/584078338.db2.gz IJYMITPQDDZJCK-LBPRGKRZSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898035182 584079215 /nfs/dbraw/zinc/07/92/15/584079215.db2.gz NQIODGFNTGDDPX-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898035182 584079217 /nfs/dbraw/zinc/07/92/17/584079217.db2.gz NQIODGFNTGDDPX-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cncs1 ZINC000898307591 584109796 /nfs/dbraw/zinc/10/97/96/584109796.db2.gz DONCMWAGRUCVKO-UHFFFAOYSA-N 2 2 241.404 2.163 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cncs1 ZINC000898307591 584109797 /nfs/dbraw/zinc/10/97/97/584109797.db2.gz DONCMWAGRUCVKO-UHFFFAOYSA-N 2 2 241.404 2.163 20 0 BEADLP COc1ccc([NH2+]C2CCC(C[NH3+])CC2)cc1N ZINC000841040737 584116633 /nfs/dbraw/zinc/11/66/33/584116633.db2.gz RKUOZODFTMUDNM-UHFFFAOYSA-N 2 2 249.358 2.207 20 0 BEADLP CNc1ccccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000902063855 584522140 /nfs/dbraw/zinc/52/21/40/584522140.db2.gz JWBFMPQPKBNMDM-LBPRGKRZSA-N 2 2 244.342 2.103 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000902089988 584524793 /nfs/dbraw/zinc/52/47/93/584524793.db2.gz LMPDPVWIPIZVRV-CQSZACIVSA-N 2 2 247.386 2.221 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000902089988 584524794 /nfs/dbraw/zinc/52/47/94/584524794.db2.gz LMPDPVWIPIZVRV-CQSZACIVSA-N 2 2 247.386 2.221 20 0 BEADLP Cc1[nH]c(CNc2cc(C)[nH+]c(C)n2)[nH+]c1C ZINC000902171616 584534394 /nfs/dbraw/zinc/53/43/94/584534394.db2.gz RPFYKHCCDOVZLN-UHFFFAOYSA-N 2 2 231.303 2.045 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(F)c1 ZINC000902417529 584590983 /nfs/dbraw/zinc/59/09/83/584590983.db2.gz SEEHDWJUTBFOOS-QMMMGPOBSA-N 2 2 226.270 2.107 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902435314 584596707 /nfs/dbraw/zinc/59/67/07/584596707.db2.gz BJEZECAQTUPINK-PZTHBURQSA-N 2 2 230.355 2.389 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472945 584601272 /nfs/dbraw/zinc/60/12/72/584601272.db2.gz MEHJTQNNVZCUBF-JUTUQKRISA-N 2 2 246.329 2.296 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472946 584601388 /nfs/dbraw/zinc/60/13/88/584601388.db2.gz MEHJTQNNVZCUBF-ZAOWEBSESA-N 2 2 246.329 2.296 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000902449241 584605321 /nfs/dbraw/zinc/60/53/21/584605321.db2.gz NCQQVJMBPPKQLW-KGLIPLIRSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448712 584605335 /nfs/dbraw/zinc/60/53/35/584605335.db2.gz HJAABBPLWSBQFN-DGCLKSJQSA-N 2 2 233.359 2.039 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000902448350 584605364 /nfs/dbraw/zinc/60/53/64/584605364.db2.gz ZNSKULAPEPOKFW-ZIAGYGMSSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000902456483 584610134 /nfs/dbraw/zinc/61/01/34/584610134.db2.gz PDCBDYFFRSNCRI-VHSXEESVSA-N 2 2 239.363 2.188 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(F)c1 ZINC000902466487 584614044 /nfs/dbraw/zinc/61/40/44/584614044.db2.gz KFBUHVPPEBOTRL-OLRMPSLUSA-N 2 2 234.318 2.369 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469300 584615710 /nfs/dbraw/zinc/61/57/10/584615710.db2.gz WFVMVDQTUJHYJE-LCGIIJARSA-N 2 2 242.366 2.465 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccoc1 ZINC000902481708 584623839 /nfs/dbraw/zinc/62/38/39/584623839.db2.gz FYWQUTOWMPLVGF-DGCLKSJQSA-N 2 2 222.332 2.462 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902482454 584624189 /nfs/dbraw/zinc/62/41/89/584624189.db2.gz LFXNFHLJSWABSI-OCCSQVGLSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902484272 584624678 /nfs/dbraw/zinc/62/46/78/584624678.db2.gz VDORXPBKEONWIO-GXTWGEPZSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902514832 584629283 /nfs/dbraw/zinc/62/92/83/584629283.db2.gz QYFFCTKFXXOCOS-DFBGVHRSSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902514835 584629573 /nfs/dbraw/zinc/62/95/73/584629573.db2.gz QYFFCTKFXXOCOS-NILFDRSVSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C/C=C\Cl ZINC000902522868 584632169 /nfs/dbraw/zinc/63/21/69/584632169.db2.gz YXJIZJCLMWNOBL-UGCNIRMFSA-N 2 2 238.762 2.287 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000902653878 584651453 /nfs/dbraw/zinc/65/14/53/584651453.db2.gz SELXAQMUSCEEFT-OCCSQVGLSA-N 2 2 247.386 2.219 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000902653878 584651454 /nfs/dbraw/zinc/65/14/54/584651454.db2.gz SELXAQMUSCEEFT-OCCSQVGLSA-N 2 2 247.386 2.219 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000902718934 584657906 /nfs/dbraw/zinc/65/79/06/584657906.db2.gz JKFRKXIOPKTKES-RFQIPJPRSA-N 2 2 242.407 2.118 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902726064 584660768 /nfs/dbraw/zinc/66/07/68/584660768.db2.gz JDOLDAWCNPSLPP-BTTYYORXSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902829660 584677289 /nfs/dbraw/zinc/67/72/89/584677289.db2.gz DFPJUFORMWOAAJ-MGPQQGTHSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902829660 584677290 /nfs/dbraw/zinc/67/72/90/584677290.db2.gz DFPJUFORMWOAAJ-MGPQQGTHSA-N 2 2 236.403 2.497 20 0 BEADLP F[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](F)C2)C1 ZINC000902994278 584711573 /nfs/dbraw/zinc/71/15/73/584711573.db2.gz BFRFDIYRUUZTKT-CHWSQXEVSA-N 2 2 246.345 2.244 20 0 BEADLP F[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](F)C2)C1 ZINC000902994278 584711574 /nfs/dbraw/zinc/71/15/74/584711574.db2.gz BFRFDIYRUUZTKT-CHWSQXEVSA-N 2 2 246.345 2.244 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902994515 584712568 /nfs/dbraw/zinc/71/25/68/584712568.db2.gz DFYYXBAGXKWFIJ-GFCCVEGCSA-N 2 2 216.344 2.152 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](F)C1 ZINC000902994515 584712569 /nfs/dbraw/zinc/71/25/69/584712569.db2.gz DFYYXBAGXKWFIJ-GFCCVEGCSA-N 2 2 216.344 2.152 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](F)C1 ZINC000903002141 584716549 /nfs/dbraw/zinc/71/65/49/584716549.db2.gz WUOVXZFABKJGLJ-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](F)C1 ZINC000903002141 584716551 /nfs/dbraw/zinc/71/65/51/584716551.db2.gz WUOVXZFABKJGLJ-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](F)C1 ZINC000903002141 584716553 /nfs/dbraw/zinc/71/65/53/584716553.db2.gz WUOVXZFABKJGLJ-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](F)C1 ZINC000903002141 584716555 /nfs/dbraw/zinc/71/65/55/584716555.db2.gz WUOVXZFABKJGLJ-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000903184121 584733429 /nfs/dbraw/zinc/73/34/29/584733429.db2.gz UTNYCEXNGMLPPC-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000903184121 584733430 /nfs/dbraw/zinc/73/34/30/584733430.db2.gz UTNYCEXNGMLPPC-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000903184123 584733587 /nfs/dbraw/zinc/73/35/87/584733587.db2.gz UTNYCEXNGMLPPC-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000903184123 584733588 /nfs/dbraw/zinc/73/35/88/584733588.db2.gz UTNYCEXNGMLPPC-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000903198596 584734643 /nfs/dbraw/zinc/73/46/43/584734643.db2.gz MWXWXNZIEUIRMC-ZDUSSCGKSA-N 2 2 233.359 2.426 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903210699 584737011 /nfs/dbraw/zinc/73/70/11/584737011.db2.gz ZZPNUTMVXIVMJQ-DZGCQCFKSA-N 2 2 245.370 2.217 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903210699 584737012 /nfs/dbraw/zinc/73/70/12/584737012.db2.gz ZZPNUTMVXIVMJQ-DZGCQCFKSA-N 2 2 245.370 2.217 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000903252536 584739260 /nfs/dbraw/zinc/73/92/60/584739260.db2.gz DTYGYJWOSXHQMR-DKJTXKKOSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000903252536 584739262 /nfs/dbraw/zinc/73/92/62/584739262.db2.gz DTYGYJWOSXHQMR-DKJTXKKOSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000903253962 584739636 /nfs/dbraw/zinc/73/96/36/584739636.db2.gz NBNYTIKFXXYXJU-OANMQIDQSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000903253962 584739637 /nfs/dbraw/zinc/73/96/37/584739637.db2.gz NBNYTIKFXXYXJU-OANMQIDQSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000903297327 584743301 /nfs/dbraw/zinc/74/33/01/584743301.db2.gz DXPSGEDCKNFOLW-OWTLIXCDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC[N@H+]1C ZINC000903297327 584743302 /nfs/dbraw/zinc/74/33/02/584743302.db2.gz DXPSGEDCKNFOLW-OWTLIXCDSA-N 2 2 222.376 2.247 20 0 BEADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2C)CCCC1 ZINC000903299764 584743561 /nfs/dbraw/zinc/74/35/61/584743561.db2.gz DLPLEXZITPZUIK-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)CCCC1 ZINC000903299764 584743563 /nfs/dbraw/zinc/74/35/63/584743563.db2.gz DLPLEXZITPZUIK-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300544 584743744 /nfs/dbraw/zinc/74/37/44/584743744.db2.gz HUXACVBSVJZPRM-OBJOEFQTSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300544 584743745 /nfs/dbraw/zinc/74/37/45/584743745.db2.gz HUXACVBSVJZPRM-OBJOEFQTSA-N 2 2 233.359 2.133 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300380 584743951 /nfs/dbraw/zinc/74/39/51/584743951.db2.gz HPWNRCQBJHWXGI-CYDGBPFRSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300380 584743953 /nfs/dbraw/zinc/74/39/53/584743953.db2.gz HPWNRCQBJHWXGI-CYDGBPFRSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000903300902 584744711 /nfs/dbraw/zinc/74/47/11/584744711.db2.gz MVTCGYBJJZMHSC-RKQHYHRCSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000903300902 584744712 /nfs/dbraw/zinc/74/47/12/584744712.db2.gz MVTCGYBJJZMHSC-RKQHYHRCSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301735 584744910 /nfs/dbraw/zinc/74/49/10/584744910.db2.gz SZQZHELTIWVDPF-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301735 584744912 /nfs/dbraw/zinc/74/49/12/584744912.db2.gz SZQZHELTIWVDPF-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379144 584757496 /nfs/dbraw/zinc/75/74/96/584757496.db2.gz FVEBKSLCIJMOJA-BPLDGKMQSA-N 2 2 247.386 2.463 20 0 BEADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000903426713 584760865 /nfs/dbraw/zinc/76/08/65/584760865.db2.gz LLVKYPRBDPSSLV-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000903426713 584760866 /nfs/dbraw/zinc/76/08/66/584760866.db2.gz LLVKYPRBDPSSLV-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429813 584761406 /nfs/dbraw/zinc/76/14/06/584761406.db2.gz WUPZUQWKJHNSQZ-UGFHNGPFSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429813 584761408 /nfs/dbraw/zinc/76/14/08/584761408.db2.gz WUPZUQWKJHNSQZ-UGFHNGPFSA-N 2 2 245.370 2.072 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903439366 584762791 /nfs/dbraw/zinc/76/27/91/584762791.db2.gz HFXGCMMTXWWUNJ-UPJWGTAASA-N 2 2 240.416 2.098 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000903439366 584762792 /nfs/dbraw/zinc/76/27/92/584762792.db2.gz HFXGCMMTXWWUNJ-UPJWGTAASA-N 2 2 240.416 2.098 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1F ZINC000903422393 584764737 /nfs/dbraw/zinc/76/47/37/584764737.db2.gz BHBBNWCZNAHMQR-SNVBAGLBSA-N 2 2 240.297 2.054 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1F ZINC000903422393 584764739 /nfs/dbraw/zinc/76/47/39/584764739.db2.gz BHBBNWCZNAHMQR-SNVBAGLBSA-N 2 2 240.297 2.054 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000903460410 584766879 /nfs/dbraw/zinc/76/68/79/584766879.db2.gz AWCFAGNNRDRXOV-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000903460410 584766880 /nfs/dbraw/zinc/76/68/80/584766880.db2.gz AWCFAGNNRDRXOV-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCC[NH2+]1 ZINC000903475966 584777004 /nfs/dbraw/zinc/77/70/04/584777004.db2.gz JGKGYLMMNBBHKK-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H]1CCC[NH2+]1 ZINC000903475966 584777005 /nfs/dbraw/zinc/77/70/05/584777005.db2.gz JGKGYLMMNBBHKK-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477078 584777308 /nfs/dbraw/zinc/77/73/08/584777308.db2.gz SSNPHEAWEONABD-MFKMUULPSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477078 584777310 /nfs/dbraw/zinc/77/73/10/584777310.db2.gz SSNPHEAWEONABD-MFKMUULPSA-N 2 2 229.327 2.089 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903716720 584791728 /nfs/dbraw/zinc/79/17/28/584791728.db2.gz QMEGZRXTYBATMX-CQSZACIVSA-N 2 2 236.334 2.340 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000903716720 584791730 /nfs/dbraw/zinc/79/17/30/584791730.db2.gz QMEGZRXTYBATMX-CQSZACIVSA-N 2 2 236.334 2.340 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903713294 584793749 /nfs/dbraw/zinc/79/37/49/584793749.db2.gz LTZBVIQZAGNWDV-MVKMKZAISA-N 2 2 210.365 2.234 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903713294 584793750 /nfs/dbraw/zinc/79/37/50/584793750.db2.gz LTZBVIQZAGNWDV-MVKMKZAISA-N 2 2 210.365 2.234 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000903761017 584797031 /nfs/dbraw/zinc/79/70/31/584797031.db2.gz NEDHBLSHARRWCA-OAHLLOKOSA-N 2 2 245.370 2.026 20 0 BEADLP Cc1cc(C)[nH+]c(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000903769419 584798324 /nfs/dbraw/zinc/79/83/24/584798324.db2.gz FWDCZZCWVSSXJD-HIFRSBDPSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000903769419 584798326 /nfs/dbraw/zinc/79/83/26/584798326.db2.gz FWDCZZCWVSSXJD-HIFRSBDPSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000903769419 584798328 /nfs/dbraw/zinc/79/83/28/584798328.db2.gz FWDCZZCWVSSXJD-HIFRSBDPSA-N 2 2 245.370 2.012 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1CF ZINC000903779427 584799763 /nfs/dbraw/zinc/79/97/63/584799763.db2.gz ZANQSZMABKBADS-GXFFZTMASA-N 2 2 222.307 2.078 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccccc1CF ZINC000903779427 584799765 /nfs/dbraw/zinc/79/97/65/584799765.db2.gz ZANQSZMABKBADS-GXFFZTMASA-N 2 2 222.307 2.078 20 0 BEADLP CCCCOCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903797892 584800734 /nfs/dbraw/zinc/80/07/34/584800734.db2.gz KRBUMDJCBXOJBP-ZIAGYGMSSA-N 2 2 240.391 2.006 20 0 BEADLP CCCCOCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903797892 584800735 /nfs/dbraw/zinc/80/07/35/584800735.db2.gz KRBUMDJCBXOJBP-ZIAGYGMSSA-N 2 2 240.391 2.006 20 0 BEADLP CC(C)OCCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798276 584801749 /nfs/dbraw/zinc/80/17/49/584801749.db2.gz MYRUZCAIIJXGEO-UONOGXRCSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)OCCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903798276 584801750 /nfs/dbraw/zinc/80/17/50/584801750.db2.gz MYRUZCAIIJXGEO-UONOGXRCSA-N 2 2 240.391 2.005 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCC1CCC1 ZINC000903799256 584801768 /nfs/dbraw/zinc/80/17/68/584801768.db2.gz CQBLSMUAODCCBR-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCC1CCC1 ZINC000903799256 584801769 /nfs/dbraw/zinc/80/17/69/584801769.db2.gz CQBLSMUAODCCBR-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805150 584802785 /nfs/dbraw/zinc/80/27/85/584802785.db2.gz MHWKFVDSEYMUMM-RFGFWPKPSA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805150 584802786 /nfs/dbraw/zinc/80/27/86/584802786.db2.gz MHWKFVDSEYMUMM-RFGFWPKPSA-N 2 2 222.376 2.236 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c(C)c1 ZINC000903821556 584803871 /nfs/dbraw/zinc/80/38/71/584803871.db2.gz MMPYXCYCCXCQIE-AWEZNQCLSA-N 2 2 232.371 2.391 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC000903849631 584808035 /nfs/dbraw/zinc/80/80/35/584808035.db2.gz FQGLRIGRYAGMGQ-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccccc1F ZINC000903849631 584808036 /nfs/dbraw/zinc/80/80/36/584808036.db2.gz FQGLRIGRYAGMGQ-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC000903849630 584808130 /nfs/dbraw/zinc/80/81/30/584808130.db2.gz FQGLRIGRYAGMGQ-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccccc1F ZINC000903849630 584808132 /nfs/dbraw/zinc/80/81/32/584808132.db2.gz FQGLRIGRYAGMGQ-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000903858261 584810190 /nfs/dbraw/zinc/81/01/90/584810190.db2.gz WVGKXEIYGOPCEW-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000903858261 584810191 /nfs/dbraw/zinc/81/01/91/584810191.db2.gz WVGKXEIYGOPCEW-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c(C)n1 ZINC000903859577 584810771 /nfs/dbraw/zinc/81/07/71/584810771.db2.gz NZHJRVNRNJAUAM-LSDHHAIUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c(C)n1 ZINC000903859577 584810772 /nfs/dbraw/zinc/81/07/72/584810772.db2.gz NZHJRVNRNJAUAM-LSDHHAIUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1F ZINC000903860928 584811697 /nfs/dbraw/zinc/81/16/97/584811697.db2.gz UZSHRAROUOXALZ-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1F ZINC000903860928 584811698 /nfs/dbraw/zinc/81/16/98/584811698.db2.gz UZSHRAROUOXALZ-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000903925496 584823931 /nfs/dbraw/zinc/82/39/31/584823931.db2.gz NLINQCNHGMIYBG-YHWZYXNKSA-N 2 2 231.343 2.333 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)c1cccc(O)c1 ZINC000903928482 584824194 /nfs/dbraw/zinc/82/41/94/584824194.db2.gz ZGOSLDZRFPJSSH-PSASIEDQSA-N 2 2 244.285 2.025 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000903960336 584828347 /nfs/dbraw/zinc/82/83/47/584828347.db2.gz FIBHYHXYNCPEIR-BXKDBHETSA-N 2 2 224.735 2.038 20 0 BEADLP F[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000903948548 584829879 /nfs/dbraw/zinc/82/98/79/584829879.db2.gz QNTKSSVHFJQUIQ-GJZGRUSLSA-N 2 2 248.345 2.354 20 0 BEADLP Cc1cc(NC[C@@]2(C)CC[NH2+]C2)c[nH+]c1C ZINC000903948937 584830077 /nfs/dbraw/zinc/83/00/77/584830077.db2.gz WCKMMHRKTPHGIV-ZDUSSCGKSA-N 2 2 219.332 2.110 20 0 BEADLP CC(C)([NH3+])C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000903948194 584830379 /nfs/dbraw/zinc/83/03/79/584830379.db2.gz MXERBSAPBBCSAI-STQMWFEESA-N 2 2 236.334 2.339 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]c1C ZINC000903948213 584830469 /nfs/dbraw/zinc/83/04/69/584830469.db2.gz NNZMVZDHBMAXDW-NWDGAFQWSA-N 2 2 219.332 2.380 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950881 584830878 /nfs/dbraw/zinc/83/08/78/584830878.db2.gz SQPMDTBJBBYZHS-GWCFXTLKSA-N 2 2 219.332 2.332 20 0 BEADLP Cc1ccsc1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951466 584830914 /nfs/dbraw/zinc/83/09/14/584830914.db2.gz YGMFKGRUCLKLQG-UHFFFAOYSA-N 2 2 233.340 2.324 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903953706 584831236 /nfs/dbraw/zinc/83/12/36/584831236.db2.gz JLVOGBDVFVIKKY-LLVKDONJSA-N 2 2 221.348 2.436 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000903963575 584833571 /nfs/dbraw/zinc/83/35/71/584833571.db2.gz BEQKPVHYJBXCLP-GMSGAONNSA-N 2 2 230.764 2.099 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)nc1 ZINC000904341279 584867568 /nfs/dbraw/zinc/86/75/68/584867568.db2.gz MJEXVLVWBYLJQW-OAHLLOKOSA-N 2 2 247.386 2.212 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)nc1 ZINC000904341279 584867569 /nfs/dbraw/zinc/86/75/69/584867569.db2.gz MJEXVLVWBYLJQW-OAHLLOKOSA-N 2 2 247.386 2.212 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904353385 584869930 /nfs/dbraw/zinc/86/99/30/584869930.db2.gz LEODYFCZBNRQLW-STQMWFEESA-N 3 2 243.439 2.103 20 0 BEADLP COc1cc(NC[C@@]2(C)CCC[NH2+]C2)ccc1[NH3+] ZINC000904354001 584870449 /nfs/dbraw/zinc/87/04/49/584870449.db2.gz TVCVIUFLKPIRPC-AWEZNQCLSA-N 2 2 249.358 2.079 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000904357690 584872146 /nfs/dbraw/zinc/87/21/46/584872146.db2.gz ADFLAMVBUQUDAB-VXGBXAGGSA-N 3 2 243.439 2.103 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000904389539 584875347 /nfs/dbraw/zinc/87/53/47/584875347.db2.gz MQWXITHCYKEWJN-JSGCOSHPSA-N 2 2 248.370 2.406 20 0 BEADLP C[Si](C)(C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000731213505 584923871 /nfs/dbraw/zinc/92/38/71/584923871.db2.gz XGQTXVKQZXQRIY-GFCCVEGCSA-N 2 2 237.423 2.397 20 0 BEADLP C[Si](C)(C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000731213505 584923872 /nfs/dbraw/zinc/92/38/72/584923872.db2.gz XGQTXVKQZXQRIY-GFCCVEGCSA-N 2 2 237.423 2.397 20 0 BEADLP C[C@H](C[NH2+]C/C=C\c1cccc(F)c1)[NH+](C)C ZINC000885968932 585032265 /nfs/dbraw/zinc/03/22/65/585032265.db2.gz FEHGKKWCZSWMAO-SMYYYNMVSA-N 2 2 236.334 2.379 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000838937710 585082002 /nfs/dbraw/zinc/08/20/02/585082002.db2.gz VFMQRKQKFWLTQT-ZNMIVQPWSA-N 2 2 230.355 2.084 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000838937710 585082003 /nfs/dbraw/zinc/08/20/03/585082003.db2.gz VFMQRKQKFWLTQT-ZNMIVQPWSA-N 2 2 230.355 2.084 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CC(O)(C(C)C)C1 ZINC000839133424 585094232 /nfs/dbraw/zinc/09/42/32/585094232.db2.gz ONDBFNUFINOXRM-UHFFFAOYSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000756116813 585314566 /nfs/dbraw/zinc/31/45/66/585314566.db2.gz PZQIBWMUVLSPAT-BXUZGUMPSA-N 2 2 236.334 2.223 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000756116813 585314567 /nfs/dbraw/zinc/31/45/67/585314567.db2.gz PZQIBWMUVLSPAT-BXUZGUMPSA-N 2 2 236.334 2.223 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000756123576 585314810 /nfs/dbraw/zinc/31/48/10/585314810.db2.gz YMTGWUUUCIQUBV-ZIAGYGMSSA-N 2 2 230.355 2.010 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000756123576 585314811 /nfs/dbraw/zinc/31/48/11/585314811.db2.gz YMTGWUUUCIQUBV-ZIAGYGMSSA-N 2 2 230.355 2.010 20 0 BEADLP C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000760842845 585399445 /nfs/dbraw/zinc/39/94/45/585399445.db2.gz CEAXWRYHYXYFSV-ZIAGYGMSSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@H+]1CCC[C@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000760842845 585399446 /nfs/dbraw/zinc/39/94/46/585399446.db2.gz CEAXWRYHYXYFSV-ZIAGYGMSSA-N 2 2 222.376 2.347 20 0 BEADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765765893 585492661 /nfs/dbraw/zinc/49/26/61/585492661.db2.gz ANKINZOJOSBLFN-KCQAQPDRSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765765893 585492662 /nfs/dbraw/zinc/49/26/62/585492662.db2.gz ANKINZOJOSBLFN-KCQAQPDRSA-N 2 2 232.371 2.472 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766271337 585500127 /nfs/dbraw/zinc/50/01/27/585500127.db2.gz UEHSITNMLCLHAD-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766271337 585500128 /nfs/dbraw/zinc/50/01/28/585500128.db2.gz UEHSITNMLCLHAD-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000768688182 585541773 /nfs/dbraw/zinc/54/17/73/585541773.db2.gz FRXRQNCIKXEVHQ-MCIGGMRASA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000768688182 585541774 /nfs/dbraw/zinc/54/17/74/585541774.db2.gz FRXRQNCIKXEVHQ-MCIGGMRASA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768678460 585541827 /nfs/dbraw/zinc/54/18/27/585541827.db2.gz NWQKLSFVVHGXMI-UNXYVOJBSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768678460 585541828 /nfs/dbraw/zinc/54/18/28/585541828.db2.gz NWQKLSFVVHGXMI-UNXYVOJBSA-N 2 2 246.345 2.352 20 0 BEADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000769859873 585565416 /nfs/dbraw/zinc/56/54/16/585565416.db2.gz IRHPFYDLOSZUSN-SNVBAGLBSA-N 2 2 248.330 2.093 20 0 BEADLP C[C@@H](C1CC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000782180095 585809967 /nfs/dbraw/zinc/80/99/67/585809967.db2.gz DKZALHKYNBJOAO-JTQLQIEISA-N 2 2 219.332 2.388 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000783017587 585827028 /nfs/dbraw/zinc/82/70/28/585827028.db2.gz VUHAMPZEMJRXLX-ZDUSSCGKSA-N 2 2 247.386 2.390 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000783209726 585830871 /nfs/dbraw/zinc/83/08/71/585830871.db2.gz DJVRLHYELFBSRM-YPMHNXCESA-N 2 2 229.327 2.265 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000783220227 585831120 /nfs/dbraw/zinc/83/11/20/585831120.db2.gz BEGZVHMJIXFMSK-AAEUAGOBSA-N 2 2 233.359 2.150 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000783220229 585831195 /nfs/dbraw/zinc/83/11/95/585831195.db2.gz BEGZVHMJIXFMSK-WCQYABFASA-N 2 2 233.359 2.150 20 0 BEADLP CC1(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000785436811 585873826 /nfs/dbraw/zinc/87/38/26/585873826.db2.gz VSOYWAMRTVSHJV-UHFFFAOYSA-N 2 2 242.326 2.157 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](CCO)C2CC2)c[nH+]1 ZINC000792993742 586008169 /nfs/dbraw/zinc/00/81/69/586008169.db2.gz WPDQNBWPTPHSLH-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](CCO)C2CC2)c[nH+]1 ZINC000792993745 586008231 /nfs/dbraw/zinc/00/82/31/586008231.db2.gz WPDQNBWPTPHSLH-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000793047438 586009027 /nfs/dbraw/zinc/00/90/27/586009027.db2.gz LUFSJIACHAVZSH-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000793047438 586009028 /nfs/dbraw/zinc/00/90/28/586009028.db2.gz LUFSJIACHAVZSH-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP c1[nH]c(C[NH2+][C@@H](c2cccnc2)C2CC2)c[nH+]1 ZINC000796447846 586103378 /nfs/dbraw/zinc/10/33/78/586103378.db2.gz FVDGMIWOQNUHGR-CYBMUJFWSA-N 2 2 228.299 2.046 20 0 BEADLP CC1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000802651685 586307892 /nfs/dbraw/zinc/30/78/92/586307892.db2.gz XGMUNWWJAGZYCX-UHFFFAOYSA-N 2 2 233.340 2.386 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000806140569 586405410 /nfs/dbraw/zinc/40/54/10/586405410.db2.gz YUYRRIHHVHDXRD-RRFJBIMHSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000806140569 586405412 /nfs/dbraw/zinc/40/54/12/586405412.db2.gz YUYRRIHHVHDXRD-RRFJBIMHSA-N 2 2 234.387 2.249 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCCCCCC1 ZINC000809570266 586507459 /nfs/dbraw/zinc/50/74/59/586507459.db2.gz LNEZUUZJXWQEOC-UHFFFAOYSA-N 2 2 221.348 2.229 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CCO)C1CC1 ZINC000809623180 586509369 /nfs/dbraw/zinc/50/93/69/586509369.db2.gz QCJWDWWBMUXUBK-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C)C1 ZINC000809657811 586510986 /nfs/dbraw/zinc/51/09/86/586510986.db2.gz SEZYKRFDAIVUMO-UHFFFAOYSA-N 2 2 204.317 2.274 20 0 BEADLP C[C@H]1C[C@H](C)[NH+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809656649 586511006 /nfs/dbraw/zinc/51/10/06/586511006.db2.gz GTKKHTOPVHJUTQ-UWVGGRQHSA-N 2 2 239.388 2.187 20 0 BEADLP C[C@@H]1C[C@@H](C)[NH+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809656648 586511085 /nfs/dbraw/zinc/51/10/85/586511085.db2.gz GTKKHTOPVHJUTQ-NXEZZACHSA-N 2 2 239.388 2.187 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000813771800 586606291 /nfs/dbraw/zinc/60/62/91/586606291.db2.gz HLWTUTYMVKTJLU-INIZCTEOSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000813771800 586606292 /nfs/dbraw/zinc/60/62/92/586606292.db2.gz HLWTUTYMVKTJLU-INIZCTEOSA-N 2 2 244.382 2.359 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817934047 586842905 /nfs/dbraw/zinc/84/29/05/586842905.db2.gz AVEKJGNBYFQWJF-ZCFIWIBFSA-N 2 2 248.157 2.185 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817958206 586846721 /nfs/dbraw/zinc/84/67/21/586846721.db2.gz IPDXIKAVMVUCDZ-ONGXEEELSA-N 2 2 241.766 2.369 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000817951569 586847481 /nfs/dbraw/zinc/84/74/81/586847481.db2.gz GNSRLVDKNIUJIV-LLVKDONJSA-N 2 2 224.323 2.394 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817951637 586848177 /nfs/dbraw/zinc/84/81/77/586848177.db2.gz IHNCJGNXVCMEOH-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817951910 586848302 /nfs/dbraw/zinc/84/83/02/586848302.db2.gz KZJDIHGPUDTWQG-RISCZKNCSA-N 2 2 246.354 2.024 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000817970385 586857110 /nfs/dbraw/zinc/85/71/10/586857110.db2.gz UABUVDSZBZIUFB-QWRGUYRKSA-N 2 2 222.332 2.001 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000817970642 586858086 /nfs/dbraw/zinc/85/80/86/586858086.db2.gz BHFDAIUVSYALFZ-KWQFWETISA-N 2 2 240.347 2.299 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976588 586860447 /nfs/dbraw/zinc/86/04/47/586860447.db2.gz OLCFIRZWWMTDLC-DCAQKATOSA-N 2 2 216.344 2.101 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817974129 586860690 /nfs/dbraw/zinc/86/06/90/586860690.db2.gz ZDYHCZMMOWQCFP-NEPJUHHUSA-N 2 2 248.370 2.270 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976372 586860798 /nfs/dbraw/zinc/86/07/98/586860798.db2.gz KVHNWOCKELRIFA-VWYCJHECSA-N 2 2 248.411 2.196 20 0 BEADLP CO[C@@H]1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000821385588 587114936 /nfs/dbraw/zinc/11/49/36/587114936.db2.gz FXDAMEHWSHUVQY-CHWSQXEVSA-N 2 2 249.358 2.157 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC000824097684 587255341 /nfs/dbraw/zinc/25/53/41/587255341.db2.gz CULPSRNDERORJX-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)CCO1 ZINC000824097684 587255342 /nfs/dbraw/zinc/25/53/42/587255342.db2.gz CULPSRNDERORJX-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000824377075 587268073 /nfs/dbraw/zinc/26/80/73/587268073.db2.gz SQTXMNBNZRFSHP-RWMBFGLXSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000824377075 587268074 /nfs/dbraw/zinc/26/80/74/587268074.db2.gz SQTXMNBNZRFSHP-RWMBFGLXSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CSC[C@H]1C ZINC000824377072 587268138 /nfs/dbraw/zinc/26/81/38/587268138.db2.gz SQTXMNBNZRFSHP-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CSC[C@H]1C ZINC000824377072 587268139 /nfs/dbraw/zinc/26/81/39/587268139.db2.gz SQTXMNBNZRFSHP-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CSC[C@H]1C ZINC000824377074 587268318 /nfs/dbraw/zinc/26/83/18/587268318.db2.gz SQTXMNBNZRFSHP-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CSC[C@H]1C ZINC000824377074 587268319 /nfs/dbraw/zinc/26/83/19/587268319.db2.gz SQTXMNBNZRFSHP-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C1(CO)CC1 ZINC000826991229 587367235 /nfs/dbraw/zinc/36/72/35/587367235.db2.gz WXXQJPDQDSUTLI-ZDUSSCGKSA-N 2 2 248.370 2.073 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841034786 587936906 /nfs/dbraw/zinc/93/69/06/587936906.db2.gz DLCHDRKJDKPDGZ-UHFFFAOYSA-N 2 2 248.326 2.141 20 0 BEADLP COc1cc(N[C@@H](C)C[C@H]2CCC[NH2+]2)ccc1[NH3+] ZINC000841041480 587938484 /nfs/dbraw/zinc/93/84/84/587938484.db2.gz HPHLQDXTAZZSQV-WDEREUQCSA-N 2 2 249.358 2.220 20 0 BEADLP COc1cc(NC[C@H]([NH3+])CC(C)C)ccc1[NH3+] ZINC000841043645 587938973 /nfs/dbraw/zinc/93/89/73/587938973.db2.gz ZQQDKALBNOJFIO-SNVBAGLBSA-N 2 2 237.347 2.063 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841055107 587940465 /nfs/dbraw/zinc/94/04/65/587940465.db2.gz QGSWXZFZKBHSHG-GHMZBOCLSA-N 2 2 220.316 2.092 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)n1 ZINC000842475297 588029137 /nfs/dbraw/zinc/02/91/37/588029137.db2.gz MPZQMFBWABSNRC-JTQLQIEISA-N 2 2 241.766 2.198 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)no1 ZINC000843060059 588077916 /nfs/dbraw/zinc/07/79/16/588077916.db2.gz AYEXIBNYRJCFMR-OCCSQVGLSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)no1 ZINC000843060059 588077917 /nfs/dbraw/zinc/07/79/17/588077917.db2.gz AYEXIBNYRJCFMR-OCCSQVGLSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]2)n1 ZINC000843064570 588078562 /nfs/dbraw/zinc/07/85/62/588078562.db2.gz ZICKXUZTXRTMEK-ZFWWWQNUSA-N 2 2 245.370 2.279 20 0 BEADLP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]2)n1 ZINC000843064570 588078564 /nfs/dbraw/zinc/07/85/64/588078564.db2.gz ZICKXUZTXRTMEK-ZFWWWQNUSA-N 2 2 245.370 2.279 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000843355518 588102955 /nfs/dbraw/zinc/10/29/55/588102955.db2.gz FTCFADXAXVVSJI-GFCCVEGCSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000848530873 588393186 /nfs/dbraw/zinc/39/31/86/588393186.db2.gz HVENQHILCKQXJS-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000848530873 588393188 /nfs/dbraw/zinc/39/31/88/588393188.db2.gz HVENQHILCKQXJS-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](C)C3)cc21 ZINC000850120225 588520995 /nfs/dbraw/zinc/52/09/95/588520995.db2.gz ZHBVPRHLBCMAJE-GFCCVEGCSA-N 2 2 243.354 2.270 20 0 BEADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](C)C3)cc21 ZINC000850120225 588520997 /nfs/dbraw/zinc/52/09/97/588520997.db2.gz ZHBVPRHLBCMAJE-GFCCVEGCSA-N 2 2 243.354 2.270 20 0 BEADLP Cc1cccn2c(C[NH2+][C@H]3C=CCC3)c[nH+]c12 ZINC000850358768 588539048 /nfs/dbraw/zinc/53/90/48/588539048.db2.gz LFWICSUJTTVTIC-LBPRGKRZSA-N 2 2 227.311 2.451 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000850438325 588546718 /nfs/dbraw/zinc/54/67/18/588546718.db2.gz DZLNSCDAJKFGSY-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000850438325 588546720 /nfs/dbraw/zinc/54/67/20/588546720.db2.gz DZLNSCDAJKFGSY-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000850439225 588546758 /nfs/dbraw/zinc/54/67/58/588546758.db2.gz MDVOCWRGJOOVPG-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000850439225 588546759 /nfs/dbraw/zinc/54/67/59/588546759.db2.gz MDVOCWRGJOOVPG-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000850556930 588560357 /nfs/dbraw/zinc/56/03/57/588560357.db2.gz UKLGOCKWOPTTSK-MJBXVCDLSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000850556930 588560359 /nfs/dbraw/zinc/56/03/59/588560359.db2.gz UKLGOCKWOPTTSK-MJBXVCDLSA-N 2 2 222.376 2.249 20 0 BEADLP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000851752437 588623546 /nfs/dbraw/zinc/62/35/46/588623546.db2.gz BQBZVAMTVYHNFR-BFHYXJOUSA-N 2 2 249.358 2.088 20 0 BEADLP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000851752437 588623547 /nfs/dbraw/zinc/62/35/47/588623547.db2.gz BQBZVAMTVYHNFR-BFHYXJOUSA-N 2 2 249.358 2.088 20 0 BEADLP FCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852117067 588665045 /nfs/dbraw/zinc/66/50/45/588665045.db2.gz VLEFRCWPTHMEET-UHFFFAOYSA-N 2 2 236.334 2.210 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC=C(Cl)Cl ZINC000852740324 588698318 /nfs/dbraw/zinc/69/83/18/588698318.db2.gz AVSCTEWLANKBAC-VIFPVBQESA-N 2 2 225.163 2.268 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC=C(Cl)Cl ZINC000852750212 588700213 /nfs/dbraw/zinc/70/02/13/588700213.db2.gz NYVZNNKHBHXCEJ-NQMVMOMDSA-N 2 2 237.174 2.282 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443360 589214131 /nfs/dbraw/zinc/21/41/31/589214131.db2.gz ONWBESSEPUEXRO-OKILXGFUSA-N 2 2 216.328 2.274 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443360 589214132 /nfs/dbraw/zinc/21/41/32/589214132.db2.gz ONWBESSEPUEXRO-OKILXGFUSA-N 2 2 216.328 2.274 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000863570396 589300643 /nfs/dbraw/zinc/30/06/43/589300643.db2.gz GJCJNROFQGPFNR-SMDDNHRTSA-N 2 2 241.338 2.075 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCSCc1ccccc1 ZINC000863652295 589307767 /nfs/dbraw/zinc/30/77/67/589307767.db2.gz RCEFNXKWPKVPOG-LBPRGKRZSA-N 2 2 238.400 2.199 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCSCc1ccccc1 ZINC000863652295 589307768 /nfs/dbraw/zinc/30/77/68/589307768.db2.gz RCEFNXKWPKVPOG-LBPRGKRZSA-N 2 2 238.400 2.199 20 0 BEADLP FC1(F)CC12CCC([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000864049932 589333720 /nfs/dbraw/zinc/33/37/20/589333720.db2.gz OUPAWARELREUIU-UHFFFAOYSA-N 2 2 241.285 2.467 20 0 BEADLP C[C@]1(CC[NH2+]Cc2c[nH+]c[nH]2)C[C@]1(F)Cl ZINC000864050188 589335397 /nfs/dbraw/zinc/33/53/97/589335397.db2.gz XXRJRVCVVYQJJM-VHSXEESVSA-N 2 2 231.702 2.204 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866215212 589481087 /nfs/dbraw/zinc/48/10/87/589481087.db2.gz WHFSUHLZWHYQME-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)c1 ZINC000866259375 589483622 /nfs/dbraw/zinc/48/36/22/589483622.db2.gz LYHNUSYAVRLDJT-UONOGXRCSA-N 2 2 234.387 2.466 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000866355992 589487792 /nfs/dbraw/zinc/48/77/92/589487792.db2.gz IHWVIAHUSGYNLO-CYBMUJFWSA-N 2 2 220.360 2.077 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585999 589501622 /nfs/dbraw/zinc/50/16/22/589501622.db2.gz ZAKKKNFTQVFPPB-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585999 589501623 /nfs/dbraw/zinc/50/16/23/589501623.db2.gz ZAKKKNFTQVFPPB-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585999 589501626 /nfs/dbraw/zinc/50/16/26/589501626.db2.gz ZAKKKNFTQVFPPB-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585999 589501628 /nfs/dbraw/zinc/50/16/28/589501628.db2.gz ZAKKKNFTQVFPPB-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000866595611 589502817 /nfs/dbraw/zinc/50/28/17/589502817.db2.gz SIGVEXGEKQLSCX-SCRDCRAPSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000866595611 589502819 /nfs/dbraw/zinc/50/28/19/589502819.db2.gz SIGVEXGEKQLSCX-SCRDCRAPSA-N 2 2 248.370 2.296 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1[NH3+] ZINC000866663355 589509100 /nfs/dbraw/zinc/50/91/00/589509100.db2.gz FBDASWDQKYGIOE-ZWNOBZJWSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1[NH3+] ZINC000866663355 589509102 /nfs/dbraw/zinc/50/91/02/589509102.db2.gz FBDASWDQKYGIOE-ZWNOBZJWSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872038559 589859240 /nfs/dbraw/zinc/85/92/40/589859240.db2.gz MOBXRLMXMQHXCW-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872038559 589859242 /nfs/dbraw/zinc/85/92/42/589859242.db2.gz MOBXRLMXMQHXCW-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872070929 589864177 /nfs/dbraw/zinc/86/41/77/589864177.db2.gz JEZSRMBQAZGIJZ-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccsc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230716 590003538 /nfs/dbraw/zinc/00/35/38/590003538.db2.gz XASWDZIUKIWFTB-STQMWFEESA-N 2 2 236.384 2.431 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000873293507 590023551 /nfs/dbraw/zinc/02/35/51/590023551.db2.gz LHIYVQBWAOCWPC-JKSUJKDBSA-N 2 2 244.382 2.479 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CC)OC ZINC000876882027 590253056 /nfs/dbraw/zinc/25/30/56/590253056.db2.gz XPVXHUXSDOATPF-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC)OC ZINC000876882027 590253058 /nfs/dbraw/zinc/25/30/58/590253058.db2.gz XPVXHUXSDOATPF-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCCC1 ZINC000876957034 590260008 /nfs/dbraw/zinc/26/00/08/590260008.db2.gz RKSDCLAZRQSBGV-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)OC ZINC000877152958 590292741 /nfs/dbraw/zinc/29/27/41/590292741.db2.gz DFIOKEHWIMAXLY-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)OC ZINC000877152958 590292742 /nfs/dbraw/zinc/29/27/42/590292742.db2.gz DFIOKEHWIMAXLY-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000878252269 590530053 /nfs/dbraw/zinc/53/00/53/590530053.db2.gz GXAHKLUQGCYABN-UPJWGTAASA-N 2 2 249.358 2.014 20 0 BEADLP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000878252269 590530056 /nfs/dbraw/zinc/53/00/56/590530056.db2.gz GXAHKLUQGCYABN-UPJWGTAASA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H](C[N@@H+]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000878628717 590597696 /nfs/dbraw/zinc/59/76/96/590597696.db2.gz MJGPCJHSXKHACO-JTQLQIEISA-N 2 2 221.348 2.450 20 0 BEADLP C[C@@H](C[N@H+]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000878628717 590597698 /nfs/dbraw/zinc/59/76/98/590597698.db2.gz MJGPCJHSXKHACO-JTQLQIEISA-N 2 2 221.348 2.450 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC=C(Cl)C1 ZINC000878790472 590622764 /nfs/dbraw/zinc/62/27/64/590622764.db2.gz MXZZIAOAEPWGPD-UHFFFAOYSA-N 2 2 239.750 2.181 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC=C(Cl)C1 ZINC000878790472 590622765 /nfs/dbraw/zinc/62/27/65/590622765.db2.gz MXZZIAOAEPWGPD-UHFFFAOYSA-N 2 2 239.750 2.181 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCC3)CC[C@@H]21 ZINC000879573431 590811144 /nfs/dbraw/zinc/81/11/44/590811144.db2.gz OBQVQUXUDJPGLQ-RDBSUJKOSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCC3)CC[C@@H]21 ZINC000879573431 590811147 /nfs/dbraw/zinc/81/11/47/590811147.db2.gz OBQVQUXUDJPGLQ-RDBSUJKOSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)CC[C@@H]21 ZINC000879573431 590811150 /nfs/dbraw/zinc/81/11/50/590811150.db2.gz OBQVQUXUDJPGLQ-RDBSUJKOSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3C=CCCC3)CC[C@@H]21 ZINC000879573431 590811152 /nfs/dbraw/zinc/81/11/52/590811152.db2.gz OBQVQUXUDJPGLQ-RDBSUJKOSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2[C@H]1C=CCCC1 ZINC000880134761 590937017 /nfs/dbraw/zinc/93/70/17/590937017.db2.gz VUOPWBWAQTYGOU-BFHYXJOUSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2[C@H]1C=CCCC1 ZINC000880134761 590937019 /nfs/dbraw/zinc/93/70/19/590937019.db2.gz VUOPWBWAQTYGOU-BFHYXJOUSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2[C@H]1C=CCCC1 ZINC000880134761 590937022 /nfs/dbraw/zinc/93/70/22/590937022.db2.gz VUOPWBWAQTYGOU-BFHYXJOUSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2[C@H]1C=CCCC1 ZINC000880134761 590937025 /nfs/dbraw/zinc/93/70/25/590937025.db2.gz VUOPWBWAQTYGOU-BFHYXJOUSA-N 2 2 220.360 2.264 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880135861 590938092 /nfs/dbraw/zinc/93/80/92/590938092.db2.gz BACSGGKFKYOWNM-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880135861 590938094 /nfs/dbraw/zinc/93/80/94/590938094.db2.gz BACSGGKFKYOWNM-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880135861 590938098 /nfs/dbraw/zinc/93/80/98/590938098.db2.gz BACSGGKFKYOWNM-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880135861 590938100 /nfs/dbraw/zinc/93/81/00/590938100.db2.gz BACSGGKFKYOWNM-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP C=C/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140076 590939087 /nfs/dbraw/zinc/93/90/87/590939087.db2.gz DNVVVISXAZUGJW-VSVUCHCSSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140076 590939089 /nfs/dbraw/zinc/93/90/89/590939089.db2.gz DNVVVISXAZUGJW-VSVUCHCSSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140076 590939091 /nfs/dbraw/zinc/93/90/91/590939091.db2.gz DNVVVISXAZUGJW-VSVUCHCSSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140076 590939093 /nfs/dbraw/zinc/93/90/93/590939093.db2.gz DNVVVISXAZUGJW-VSVUCHCSSA-N 2 2 220.360 2.287 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141945 590942622 /nfs/dbraw/zinc/94/26/22/590942622.db2.gz LDNRAUPNJKVKHT-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141945 590942623 /nfs/dbraw/zinc/94/26/23/590942623.db2.gz LDNRAUPNJKVKHT-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC000880141945 590942624 /nfs/dbraw/zinc/94/26/24/590942624.db2.gz LDNRAUPNJKVKHT-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC(F)(F)C1 ZINC000880141945 590942626 /nfs/dbraw/zinc/94/26/26/590942626.db2.gz LDNRAUPNJKVKHT-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccsc1 ZINC000880142361 590943364 /nfs/dbraw/zinc/94/33/64/590943364.db2.gz NJBMCNMPKUCFKX-CHWSQXEVSA-N 2 2 236.384 2.417 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccsc1 ZINC000880142361 590943365 /nfs/dbraw/zinc/94/33/65/590943365.db2.gz NJBMCNMPKUCFKX-CHWSQXEVSA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccsc1 ZINC000880142361 590943368 /nfs/dbraw/zinc/94/33/68/590943368.db2.gz NJBMCNMPKUCFKX-CHWSQXEVSA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccsc1 ZINC000880142361 590943369 /nfs/dbraw/zinc/94/33/69/590943369.db2.gz NJBMCNMPKUCFKX-CHWSQXEVSA-N 2 2 236.384 2.417 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000211491523 591174160 /nfs/dbraw/zinc/17/41/60/591174160.db2.gz ZTHHDIVOPLDQQO-WFASDCNBSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000211491523 591174166 /nfs/dbraw/zinc/17/41/66/591174166.db2.gz ZTHHDIVOPLDQQO-WFASDCNBSA-N 2 2 230.355 2.401 20 0 BEADLP Cc1[nH+]cnc(NC[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000882651683 591406897 /nfs/dbraw/zinc/40/68/97/591406897.db2.gz HYARLRMNEMDEIS-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NC[C@H]2CCCC[N@H+](C)C2)c1C ZINC000882651683 591406900 /nfs/dbraw/zinc/40/69/00/591406900.db2.gz HYARLRMNEMDEIS-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@@H]2C=CCC2)[nH+]1 ZINC000883238329 591583306 /nfs/dbraw/zinc/58/33/06/591583306.db2.gz YZZQDIPPLZDNEP-GFCCVEGCSA-N 2 2 227.311 2.390 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249513 591590878 /nfs/dbraw/zinc/59/08/78/591590878.db2.gz IXHRYRQFRRSYTD-WCQYABFASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249513 591590882 /nfs/dbraw/zinc/59/08/82/591590882.db2.gz IXHRYRQFRRSYTD-WCQYABFASA-N 2 2 222.376 2.106 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883414868 591653095 /nfs/dbraw/zinc/65/30/95/591653095.db2.gz HXPMOAGRJKJQEB-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883414868 591653097 /nfs/dbraw/zinc/65/30/97/591653097.db2.gz HXPMOAGRJKJQEB-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP C[N@H+](CC[NH3+])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883432849 591662678 /nfs/dbraw/zinc/66/26/78/591662678.db2.gz BRLSVHJQLHOZCW-CABCVRRESA-N 2 2 248.370 2.187 20 0 BEADLP C[N@@H+](CC[NH3+])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883432849 591662681 /nfs/dbraw/zinc/66/26/81/591662681.db2.gz BRLSVHJQLHOZCW-CABCVRRESA-N 2 2 248.370 2.187 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455086 591672118 /nfs/dbraw/zinc/67/21/18/591672118.db2.gz SPIBGUSLJIQZLJ-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455086 591672119 /nfs/dbraw/zinc/67/21/19/591672119.db2.gz SPIBGUSLJIQZLJ-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1OCC[C@H]1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455085 591672180 /nfs/dbraw/zinc/67/21/80/591672180.db2.gz SPIBGUSLJIQZLJ-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1OCC[C@H]1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455085 591672182 /nfs/dbraw/zinc/67/21/82/591672182.db2.gz SPIBGUSLJIQZLJ-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP [NH3+]CC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000883460895 591673691 /nfs/dbraw/zinc/67/36/91/591673691.db2.gz JNCXTWIITILNOO-CYBMUJFWSA-N 2 2 236.384 2.125 20 0 BEADLP [NH3+]CC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000883460895 591673693 /nfs/dbraw/zinc/67/36/93/591673693.db2.gz JNCXTWIITILNOO-CYBMUJFWSA-N 2 2 236.384 2.125 20 0 BEADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccnc2)c2ccccc21 ZINC000131938211 591678755 /nfs/dbraw/zinc/67/87/55/591678755.db2.gz XPDVXBBWQJJCQG-HUUCEWRRSA-N 2 2 239.322 2.316 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000133593310 591831718 /nfs/dbraw/zinc/83/17/18/591831718.db2.gz AQPGMTOTHHIPRU-ZJUUUORDSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)n1 ZINC000133593310 591831722 /nfs/dbraw/zinc/83/17/22/591831722.db2.gz AQPGMTOTHHIPRU-ZJUUUORDSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000133606872 591842522 /nfs/dbraw/zinc/84/25/22/591842522.db2.gz NSSSDMQUVDUPMM-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000133606872 591842526 /nfs/dbraw/zinc/84/25/26/591842526.db2.gz NSSSDMQUVDUPMM-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP Clc1ccc2c(c1)C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C2 ZINC000134854137 591953084 /nfs/dbraw/zinc/95/30/84/591953084.db2.gz UATUPMOOFWFZOW-LBPRGKRZSA-N 2 2 247.729 2.320 20 0 BEADLP CCc1nc(NC2CCC([NH+](C)C)CC2)cc[nH+]1 ZINC000884533235 591969367 /nfs/dbraw/zinc/96/93/67/591969367.db2.gz BYXFSOQGMWLALB-UHFFFAOYSA-N 2 2 248.374 2.324 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000135378018 592010706 /nfs/dbraw/zinc/01/07/06/592010706.db2.gz HCYOXIPFKLZZTF-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000135378018 592010709 /nfs/dbraw/zinc/01/07/09/592010709.db2.gz HCYOXIPFKLZZTF-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885969338 592118744 /nfs/dbraw/zinc/11/87/44/592118744.db2.gz OZRBWYSTLWOUAK-MFBWXBCUSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885969338 592118746 /nfs/dbraw/zinc/11/87/46/592118746.db2.gz OZRBWYSTLWOUAK-MFBWXBCUSA-N 2 2 234.318 2.133 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886116372 592157418 /nfs/dbraw/zinc/15/74/18/592157418.db2.gz GZCNIFJOPXEAHK-HWPRWLFBSA-N 2 2 236.334 2.379 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000886170035 592168499 /nfs/dbraw/zinc/16/84/99/592168499.db2.gz NRFXXUABDBONEW-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000886170035 592168502 /nfs/dbraw/zinc/16/85/02/592168502.db2.gz NRFXXUABDBONEW-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP [NH3+]CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000220498664 592311598 /nfs/dbraw/zinc/31/15/98/592311598.db2.gz GMWVXJLLOFOAOL-UHFFFAOYSA-N 2 2 210.365 2.237 20 0 BEADLP CCc1cccc(C[N@@H+](CC)[C@H]2CC[NH2+]C2)c1 ZINC000886849027 592366012 /nfs/dbraw/zinc/36/60/12/592366012.db2.gz YWNFMQHDAFHWHD-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@H+](CC)[C@H]2CC[NH2+]C2)c1 ZINC000886849027 592366018 /nfs/dbraw/zinc/36/60/18/592366018.db2.gz YWNFMQHDAFHWHD-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000300214471 592504351 /nfs/dbraw/zinc/50/43/51/592504351.db2.gz BMUACGWBTIEVHI-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000300214471 592504354 /nfs/dbraw/zinc/50/43/54/592504354.db2.gz BMUACGWBTIEVHI-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000925716205 634446494 /nfs/dbraw/zinc/44/64/94/634446494.db2.gz LVKCNQVCDHAJQC-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1C ZINC000925716218 634446894 /nfs/dbraw/zinc/44/68/94/634446894.db2.gz LZCAYCGSZRLWNV-CQSZACIVSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1C ZINC000925716217 634447262 /nfs/dbraw/zinc/44/72/62/634447262.db2.gz LZCAYCGSZRLWNV-AWEZNQCLSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257723743 634481771 /nfs/dbraw/zinc/48/17/71/634481771.db2.gz WBHZSHIALZFHBN-INIZCTEOSA-N 2 2 244.382 2.365 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257723743 634481773 /nfs/dbraw/zinc/48/17/73/634481773.db2.gz WBHZSHIALZFHBN-INIZCTEOSA-N 2 2 244.382 2.365 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cs1 ZINC000925738084 634594838 /nfs/dbraw/zinc/59/48/38/634594838.db2.gz NBMXWUBCSRZUMF-QMMMGPOBSA-N 2 2 227.377 2.230 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\Cl)[C@@H](C)C1 ZINC000255419199 631646046 /nfs/dbraw/zinc/64/60/46/631646046.db2.gz XZFBJBAKORTTNV-RAUBUVQISA-N 2 2 230.783 2.401 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\Cl)[C@@H](C)C1 ZINC000255419199 631646051 /nfs/dbraw/zinc/64/60/51/631646051.db2.gz XZFBJBAKORTTNV-RAUBUVQISA-N 2 2 230.783 2.401 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\Cl)[C@@H](C)C1 ZINC000255419199 631646052 /nfs/dbraw/zinc/64/60/52/631646052.db2.gz XZFBJBAKORTTNV-RAUBUVQISA-N 2 2 230.783 2.401 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\Cl)[C@@H](C)C1 ZINC000255419199 631646057 /nfs/dbraw/zinc/64/60/57/631646057.db2.gz XZFBJBAKORTTNV-RAUBUVQISA-N 2 2 230.783 2.401 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000308828074 631676424 /nfs/dbraw/zinc/67/64/24/631676424.db2.gz SPOUIAHHRSKTSE-OLZOCXBDSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309030983 631805681 /nfs/dbraw/zinc/80/56/81/631805681.db2.gz BNWFDMAAFVDSKN-SNVBAGLBSA-N 2 2 220.307 2.091 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1Cl ZINC000309031507 631806455 /nfs/dbraw/zinc/80/64/55/631806455.db2.gz BWNMARQEEPUDOO-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1Cl ZINC000309031507 631806458 /nfs/dbraw/zinc/80/64/58/631806458.db2.gz BWNMARQEEPUDOO-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP c1cn(CC[NH2+][C@@H](c2ccncc2)C2CC2)c[nH+]1 ZINC000934697873 632017289 /nfs/dbraw/zinc/01/72/89/632017289.db2.gz YHHOZWSDTCLGOT-CQSZACIVSA-N 2 2 242.326 2.019 20 0 BEADLP C[C@@H](C[NH2+]C1[C@H](C)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000924968501 635815766 /nfs/dbraw/zinc/81/57/66/635815766.db2.gz ZJNIZLLXBTVSJW-UTUOFQBUSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[NH2+]C1[C@H](C)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000924968501 635815768 /nfs/dbraw/zinc/81/57/68/635815768.db2.gz ZJNIZLLXBTVSJW-UTUOFQBUSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000926513301 632412849 /nfs/dbraw/zinc/41/28/49/632412849.db2.gz LZHZSRUAJDGQFS-XBFCOCLRSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000926513301 632412854 /nfs/dbraw/zinc/41/28/54/632412854.db2.gz LZHZSRUAJDGQFS-XBFCOCLRSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1csc(Cl)c1 ZINC000235194087 632507259 /nfs/dbraw/zinc/50/72/59/632507259.db2.gz IEXCIZCWMXHMIK-ZCFIWIBFSA-N 2 2 204.726 2.011 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000309174656 632661022 /nfs/dbraw/zinc/66/10/22/632661022.db2.gz MGKXXRXMXVOYAD-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000309174656 632661027 /nfs/dbraw/zinc/66/10/27/632661027.db2.gz MGKXXRXMXVOYAD-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccccc1C[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000310351322 632726371 /nfs/dbraw/zinc/72/63/71/632726371.db2.gz GXSFOAIFFWQGEE-GFCCVEGCSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1ccccc1C[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000310351322 632726381 /nfs/dbraw/zinc/72/63/81/632726381.db2.gz GXSFOAIFFWQGEE-GFCCVEGCSA-N 2 2 242.313 2.409 20 0 BEADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC[NH+]1CCCC1 ZINC000924561588 632861054 /nfs/dbraw/zinc/86/10/54/632861054.db2.gz MSIWCRAVWJFGKD-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000168849805 633149113 /nfs/dbraw/zinc/14/91/13/633149113.db2.gz NAWZAOKYFVFZKD-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000309781259 633735935 /nfs/dbraw/zinc/73/59/35/633735935.db2.gz MYDJLUSQLHXPPY-ITGUQSILSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309797734 633752046 /nfs/dbraw/zinc/75/20/46/633752046.db2.gz QOYRSNJZPLWWCF-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309797734 633752062 /nfs/dbraw/zinc/75/20/62/633752062.db2.gz QOYRSNJZPLWWCF-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1ccc(OCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925509685 633847224 /nfs/dbraw/zinc/84/72/24/633847224.db2.gz OFQVIBFMMIWRGE-DZGCQCFKSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000925577146 634078176 /nfs/dbraw/zinc/07/81/76/634078176.db2.gz OXVBDQGDGGRHQK-SCBMYKTRSA-N 2 2 218.344 2.463 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000053344152 634169960 /nfs/dbraw/zinc/16/99/60/634169960.db2.gz NSKYPLHMASZISY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000053344152 634169967 /nfs/dbraw/zinc/16/99/67/634169967.db2.gz NSKYPLHMASZISY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000053343804 634169880 /nfs/dbraw/zinc/16/98/80/634169880.db2.gz OIYBBWVDDUZKPI-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000053343804 634169889 /nfs/dbraw/zinc/16/98/89/634169889.db2.gz OIYBBWVDDUZKPI-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc21)[NH+](C)C ZINC000893345769 634236796 /nfs/dbraw/zinc/23/67/96/634236796.db2.gz XBYXFYTWPSFINS-JSGCOSHPSA-N 2 2 232.371 2.256 20 0 BEADLP CCCSC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000893345893 634237381 /nfs/dbraw/zinc/23/73/81/634237381.db2.gz ZIKAAZMSGYXORF-QWRGUYRKSA-N 2 2 218.410 2.058 20 0 BEADLP COc1c(C)cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000258810759 635206764 /nfs/dbraw/zinc/20/67/64/635206764.db2.gz DODBGQCABHMXMW-CQSZACIVSA-N 2 2 248.370 2.154 20 0 BEADLP C[C@H](C[NH2+]Cc1ccccc1F)Cn1cc[nH+]c1 ZINC000067500529 636270010 /nfs/dbraw/zinc/27/00/10/636270010.db2.gz LQQWNZRSLHBAAS-GFCCVEGCSA-N 2 2 247.317 2.448 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccc2ccccc2c1 ZINC000054416860 636635609 /nfs/dbraw/zinc/63/56/09/636635609.db2.gz NFFSJWRXCKQWIF-UHFFFAOYSA-N 2 2 214.312 2.230 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccc2ccccc2c1 ZINC000054416860 636635618 /nfs/dbraw/zinc/63/56/18/636635618.db2.gz NFFSJWRXCKQWIF-UHFFFAOYSA-N 2 2 214.312 2.230 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924650783 636977766 /nfs/dbraw/zinc/97/77/66/636977766.db2.gz WZVRNMXINWALKX-IGQOVBAYSA-N 2 2 231.343 2.216 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1C ZINC000904461783 637406842 /nfs/dbraw/zinc/40/68/42/637406842.db2.gz FACFCKXMLVCLBS-AWEZNQCLSA-N 2 2 232.371 2.391 20 0 BEADLP CC(C)(C)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904461883 637407058 /nfs/dbraw/zinc/40/70/58/637407058.db2.gz POOHHIFVNDLSAP-CHWSQXEVSA-N 2 2 218.344 2.247 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000904444436 637413338 /nfs/dbraw/zinc/41/33/38/637413338.db2.gz MQWXITHCYKEWJN-OCCSQVGLSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000904444437 637414165 /nfs/dbraw/zinc/41/41/65/637414165.db2.gz MQWXITHCYKEWJN-TZMCWYRMSA-N 2 2 248.370 2.406 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000904460784 637421386 /nfs/dbraw/zinc/42/13/86/637421386.db2.gz AGRPVWHHQQTSQZ-HNNXBMFYSA-N 2 2 244.382 2.263 20 0 BEADLP Cc1cc(F)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(Cl)c1 ZINC000906517082 638187122 /nfs/dbraw/zinc/18/71/22/638187122.db2.gz DMYYDZBVUIPPJS-KYZUINATSA-N 2 2 242.725 2.367 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280272 640133704 /nfs/dbraw/zinc/13/37/04/640133704.db2.gz VOJSIFCYQYUSBL-RABLLNBGSA-N 2 2 248.345 2.379 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280272 640133712 /nfs/dbraw/zinc/13/37/12/640133712.db2.gz VOJSIFCYQYUSBL-RABLLNBGSA-N 2 2 248.345 2.379 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282297 640137471 /nfs/dbraw/zinc/13/74/71/640137471.db2.gz OMWHPUJDBZLCRB-RABLLNBGSA-N 2 2 248.345 2.379 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282297 640137476 /nfs/dbraw/zinc/13/74/76/640137476.db2.gz OMWHPUJDBZLCRB-RABLLNBGSA-N 2 2 248.345 2.379 20 0 BEADLP C[NH+]1C[C@]2(C)C[NH+](C[Si](C)(C)C)C[C@@]2(C)C1 ZINC000931312083 640145396 /nfs/dbraw/zinc/14/53/96/640145396.db2.gz UQIYLYBMOFQTNH-CHWSQXEVSA-N 2 2 240.467 2.137 20 0 BEADLP C[N@@H+]1C[C@]2(C)C[NH+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000931312082 640147595 /nfs/dbraw/zinc/14/75/95/640147595.db2.gz UQIYLYBMOFQTNH-BETUJISGSA-N 2 2 240.467 2.137 20 0 BEADLP C[N@H+]1C[C@]2(C)C[NH+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000931312082 640147600 /nfs/dbraw/zinc/14/76/00/640147600.db2.gz UQIYLYBMOFQTNH-BETUJISGSA-N 2 2 240.467 2.137 20 0 BEADLP C[NH+]1C[C@]2(C)C[N@H+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000931312082 640147605 /nfs/dbraw/zinc/14/76/05/640147605.db2.gz UQIYLYBMOFQTNH-BETUJISGSA-N 2 2 240.467 2.137 20 0 BEADLP C[NH+]1C[C@]2(C)C[N@@H+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000931312082 640147608 /nfs/dbraw/zinc/14/76/08/640147608.db2.gz UQIYLYBMOFQTNH-BETUJISGSA-N 2 2 240.467 2.137 20 0 BEADLP Cc1ccncc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355641 640168014 /nfs/dbraw/zinc/16/80/14/640168014.db2.gz VASXDKABOCVQOM-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC1CC(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000931622834 640292806 /nfs/dbraw/zinc/29/28/06/640292806.db2.gz STMKWIKXEBTKJN-NWINJMCUSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)C1 ZINC000931622834 640292809 /nfs/dbraw/zinc/29/28/09/640292809.db2.gz STMKWIKXEBTKJN-NWINJMCUSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000931622834 640292829 /nfs/dbraw/zinc/29/28/29/640292829.db2.gz STMKWIKXEBTKJN-NWINJMCUSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000931622834 640292832 /nfs/dbraw/zinc/29/28/32/640292832.db2.gz STMKWIKXEBTKJN-NWINJMCUSA-N 2 2 222.376 2.201 20 0 BEADLP CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721863 640329953 /nfs/dbraw/zinc/32/99/53/640329953.db2.gz ZQOGBWQWDJRLHV-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721863 640329955 /nfs/dbraw/zinc/32/99/55/640329955.db2.gz ZQOGBWQWDJRLHV-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721863 640329959 /nfs/dbraw/zinc/32/99/59/640329959.db2.gz ZQOGBWQWDJRLHV-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721863 640329964 /nfs/dbraw/zinc/32/99/64/640329964.db2.gz ZQOGBWQWDJRLHV-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC=CC1 ZINC000931718051 640337040 /nfs/dbraw/zinc/33/70/40/640337040.db2.gz IIEFEOQRJIWPMO-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC=CC1 ZINC000931718051 640337044 /nfs/dbraw/zinc/33/70/44/640337044.db2.gz IIEFEOQRJIWPMO-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC=CC1 ZINC000931718051 640337049 /nfs/dbraw/zinc/33/70/49/640337049.db2.gz IIEFEOQRJIWPMO-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CC=CC1 ZINC000931718051 640337055 /nfs/dbraw/zinc/33/70/55/640337055.db2.gz IIEFEOQRJIWPMO-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP c1cn(CC[NH2+][C@@H](c2ccccn2)C2CC2)c[nH+]1 ZINC000932384855 640512396 /nfs/dbraw/zinc/51/23/96/640512396.db2.gz XNFIHUSYWYFMMX-CQSZACIVSA-N 2 2 242.326 2.019 20 0 BEADLP C[N@H+](C/C=C/Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000158063612 640788609 /nfs/dbraw/zinc/78/86/09/640788609.db2.gz QFBUVZJJSLZIBI-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP C[N@@H+](C/C=C/Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000158063612 640788618 /nfs/dbraw/zinc/78/86/18/640788618.db2.gz QFBUVZJJSLZIBI-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C/Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000158063612 640788624 /nfs/dbraw/zinc/78/86/24/640788624.db2.gz QFBUVZJJSLZIBI-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C/Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158063612 640788629 /nfs/dbraw/zinc/78/86/29/640788629.db2.gz QFBUVZJJSLZIBI-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000226815929 640793504 /nfs/dbraw/zinc/79/35/04/640793504.db2.gz ZFGSYRAGAJNDFN-CQSZACIVSA-N 2 2 245.370 2.143 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)C[Si](C)(C)C)CC[N@@H+]1C ZINC000172849401 641118780 /nfs/dbraw/zinc/11/87/80/641118780.db2.gz DTORBMYLCYFYDP-VXGBXAGGSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)C[Si](C)(C)C)CC[N@H+]1C ZINC000172849401 641118784 /nfs/dbraw/zinc/11/87/84/641118784.db2.gz DTORBMYLCYFYDP-VXGBXAGGSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849401 641118787 /nfs/dbraw/zinc/11/87/87/641118787.db2.gz DTORBMYLCYFYDP-VXGBXAGGSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849401 641118792 /nfs/dbraw/zinc/11/87/92/641118792.db2.gz DTORBMYLCYFYDP-VXGBXAGGSA-N 2 2 228.456 2.278 20 0 BEADLP C[NH+](C)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC000916838595 641980650 /nfs/dbraw/zinc/98/06/50/641980650.db2.gz XBKMBGYMOFNBTN-HNNXBMFYSA-N 2 2 232.371 2.159 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)C ZINC000252712642 642310340 /nfs/dbraw/zinc/31/03/40/642310340.db2.gz MZEHLIKKBRUJBY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)C ZINC000252712642 642310352 /nfs/dbraw/zinc/31/03/52/642310352.db2.gz MZEHLIKKBRUJBY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071312285 643121926 /nfs/dbraw/zinc/12/19/26/643121926.db2.gz VZLAHCCIUKZYRL-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071312285 643121929 /nfs/dbraw/zinc/12/19/29/643121929.db2.gz VZLAHCCIUKZYRL-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000082594868 643351707 /nfs/dbraw/zinc/35/17/07/643351707.db2.gz UUBIYCPFNUWBSU-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000082594868 643351714 /nfs/dbraw/zinc/35/17/14/643351714.db2.gz UUBIYCPFNUWBSU-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499081 643386658 /nfs/dbraw/zinc/38/66/58/643386658.db2.gz OULACIFVRLPZMT-OAHLLOKOSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499081 643386663 /nfs/dbraw/zinc/38/66/63/643386663.db2.gz OULACIFVRLPZMT-OAHLLOKOSA-N 2 2 230.355 2.098 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000922127368 643868188 /nfs/dbraw/zinc/86/81/88/643868188.db2.gz DOKWTBQZRGXABM-TUAOUCFPSA-N 2 2 230.421 2.200 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000922191509 643898486 /nfs/dbraw/zinc/89/84/86/643898486.db2.gz WBWUZSTZYZAZRL-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000922294561 643959053 /nfs/dbraw/zinc/95/90/53/643959053.db2.gz BKESIJXIILLXPT-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000922294561 643959057 /nfs/dbraw/zinc/95/90/57/643959057.db2.gz BKESIJXIILLXPT-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP C[NH+](C)CC[C@H]([NH2+]CC1(C)CC1)c1cccnc1 ZINC000922633619 644047510 /nfs/dbraw/zinc/04/75/10/644047510.db2.gz RVOCVDYWPPXGBY-AWEZNQCLSA-N 2 2 247.386 2.464 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCS[C@H](C)C2)n1C ZINC000922836474 644114091 /nfs/dbraw/zinc/11/40/91/644114091.db2.gz CMOCXRCAHBNLPT-KOLCDFICSA-N 2 2 239.388 2.102 20 0 BEADLP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923280093 644312578 /nfs/dbraw/zinc/31/25/78/644312578.db2.gz FBBCBPCGHPPHPL-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923280093 644312582 /nfs/dbraw/zinc/31/25/82/644312582.db2.gz FBBCBPCGHPPHPL-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP COc1c(C)cc(C[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000084574698 644428913 /nfs/dbraw/zinc/42/89/13/644428913.db2.gz QXLKXUFKWCEZLX-AWEZNQCLSA-N 2 2 248.370 2.154 20 0 BEADLP FC(F)C1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000769490766 644682618 /nfs/dbraw/zinc/68/26/18/644682618.db2.gz IUEUJJBTSBMYEI-UHFFFAOYSA-N 2 2 243.301 2.297 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)no1 ZINC000843060100 645257301 /nfs/dbraw/zinc/25/73/01/645257301.db2.gz CMBHLDWVBROCCU-ZIAGYGMSSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)no1 ZINC000843060100 645257307 /nfs/dbraw/zinc/25/73/07/645257307.db2.gz CMBHLDWVBROCCU-ZIAGYGMSSA-N 2 2 249.358 2.120 20 0 BEADLP C1CC12C[C@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926612628 645315108 /nfs/dbraw/zinc/31/51/08/645315108.db2.gz CCALEYHPWMNVGE-RWMBFGLXSA-N 2 2 220.360 2.145 20 0 BEADLP C1CC12C[C@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926612628 645315114 /nfs/dbraw/zinc/31/51/14/645315114.db2.gz CCALEYHPWMNVGE-RWMBFGLXSA-N 2 2 220.360 2.145 20 0 BEADLP C1=C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926690226 645360854 /nfs/dbraw/zinc/36/08/54/645360854.db2.gz OKULNRZKUIFTBN-IHRRRGAJSA-N 2 2 220.360 2.312 20 0 BEADLP C1=C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926690226 645360860 /nfs/dbraw/zinc/36/08/60/645360860.db2.gz OKULNRZKUIFTBN-IHRRRGAJSA-N 2 2 220.360 2.312 20 0 BEADLP C/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926764229 645410486 /nfs/dbraw/zinc/41/04/86/645410486.db2.gz CIPXRLVCRTXPGW-FAQRPARDSA-N 2 2 208.349 2.169 20 0 BEADLP C/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926764229 645410491 /nfs/dbraw/zinc/41/04/91/645410491.db2.gz CIPXRLVCRTXPGW-FAQRPARDSA-N 2 2 208.349 2.169 20 0 BEADLP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925496713 645942247 /nfs/dbraw/zinc/94/22/47/645942247.db2.gz VLVNWYILJRBUBF-AEGPPILISA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(O)cc(F)c1 ZINC000924537872 646057879 /nfs/dbraw/zinc/05/78/79/646057879.db2.gz BWEIGZZSRXLXEV-SNVBAGLBSA-N 2 2 240.322 2.134 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924790008 646106381 /nfs/dbraw/zinc/10/63/81/646106381.db2.gz DBYMELCQPSRMAX-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924790008 646106384 /nfs/dbraw/zinc/10/63/84/646106384.db2.gz DBYMELCQPSRMAX-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP c1cn(-c2ccc(C[NH2+]CC3CC3)cc2)c[nH+]1 ZINC000035258320 646139510 /nfs/dbraw/zinc/13/95/10/646139510.db2.gz UTGHEKFNQKOGFI-UHFFFAOYSA-N 2 2 227.311 2.372 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925009258 646157552 /nfs/dbraw/zinc/15/75/52/646157552.db2.gz BKOWTHHLGUAOSC-DRPJVOAASA-N 2 2 246.398 2.415 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925009258 646157559 /nfs/dbraw/zinc/15/75/59/646157559.db2.gz BKOWTHHLGUAOSC-DRPJVOAASA-N 2 2 246.398 2.415 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000925481903 646294811 /nfs/dbraw/zinc/29/48/11/646294811.db2.gz OWFDLOSQVMYUEA-AEGPPILISA-N 2 2 248.370 2.234 20 0 BEADLP CSCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925504806 646306120 /nfs/dbraw/zinc/30/61/20/646306120.db2.gz OXRKVYKZFQIAPU-YPMHNXCESA-N 2 2 238.400 2.418 20 0 BEADLP CSCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925504888 646306863 /nfs/dbraw/zinc/30/68/63/646306863.db2.gz MKSCSYRMXFHOCT-ZYHUDNBSSA-N 2 2 224.373 2.028 20 0 BEADLP CO[C@H](C)CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925565432 646336206 /nfs/dbraw/zinc/33/62/06/646336206.db2.gz RBELTDUJQACHDT-YRGRVCCFSA-N 2 2 236.359 2.090 20 0 BEADLP CO[C@H](C)CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925565431 646337221 /nfs/dbraw/zinc/33/72/21/646337221.db2.gz RBELTDUJQACHDT-MBNYWOFBSA-N 2 2 236.359 2.090 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000925572970 646341091 /nfs/dbraw/zinc/34/10/91/646341091.db2.gz LEAKPENAPHEMKJ-CYZMBNFOSA-N 2 2 236.384 2.170 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925582961 646345854 /nfs/dbraw/zinc/34/58/54/646345854.db2.gz CGBSXHFNRRTMJP-CQSZACIVSA-N 2 2 248.370 2.104 20 0 BEADLP CS[C@H](C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925587079 646346978 /nfs/dbraw/zinc/34/69/78/646346978.db2.gz NBGXKGDJMPIBPQ-WZRBSPASSA-N 2 2 238.400 2.416 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000925603083 646355509 /nfs/dbraw/zinc/35/55/09/646355509.db2.gz ZOKOJPUSGVROHL-CYBMUJFWSA-N 2 2 240.391 2.066 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925620876 646368308 /nfs/dbraw/zinc/36/83/08/646368308.db2.gz CTYPCYKUFMCIRP-IUODEOHRSA-N 2 2 248.370 2.234 20 0 BEADLP FC(F)(F)C1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925670073 646400002 /nfs/dbraw/zinc/40/00/02/646400002.db2.gz HOPQJTCRUDVUCT-SECBINFHSA-N 2 2 248.292 2.203 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000925673702 646402278 /nfs/dbraw/zinc/40/22/78/646402278.db2.gz OYSYYWRUIRARKQ-DOMZBBRYSA-N 2 2 246.354 2.011 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925682095 646409783 /nfs/dbraw/zinc/40/97/83/646409783.db2.gz SONDXGADKILZOL-GFCCVEGCSA-N 2 2 236.384 2.431 20 0 BEADLP [NH3+][C@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C12CCC2 ZINC000925690200 646417043 /nfs/dbraw/zinc/41/70/43/646417043.db2.gz GEBHCMGZMAVAND-UONOGXRCSA-N 2 2 243.354 2.336 20 0 BEADLP COCC1CC([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925730887 646454290 /nfs/dbraw/zinc/45/42/90/646454290.db2.gz XXEFSDQCYXKWKO-BNQIPGGESA-N 2 2 248.370 2.090 20 0 BEADLP Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)c[nH+]c1C ZINC000925768397 646468716 /nfs/dbraw/zinc/46/87/16/646468716.db2.gz JTEGFFGKCBHXQW-TVQRCGJNSA-N 2 2 219.332 2.108 20 0 BEADLP Cc1cc(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c[nH+]c1C ZINC000925771349 646470281 /nfs/dbraw/zinc/47/02/81/646470281.db2.gz ZUIYZUNNJXSKSG-XSXPHNMFSA-N 2 2 243.354 2.107 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000925773563 646472343 /nfs/dbraw/zinc/47/23/43/646472343.db2.gz DEQJELRFFYHXDL-YUELXQCFSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925780670 646477082 /nfs/dbraw/zinc/47/70/82/646477082.db2.gz UVQMNMVJZNIWTI-UWVGGRQHSA-N 2 2 244.285 2.175 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H](C)C2 ZINC000925782057 646479181 /nfs/dbraw/zinc/47/91/81/646479181.db2.gz CNWAUANGJCTYHB-BHTHQVBYSA-N 2 2 244.382 2.426 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925787435 646482593 /nfs/dbraw/zinc/48/25/93/646482593.db2.gz SEGCMVXHPGJXSH-DVVUODLYSA-N 2 2 224.373 2.315 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H](C)C1 ZINC000925929241 646544614 /nfs/dbraw/zinc/54/46/14/646544614.db2.gz LGMPFIHNDFYKRX-RMEBNNNOSA-N 2 2 234.387 2.271 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)[C@@H](C)C1 ZINC000925929241 646544615 /nfs/dbraw/zinc/54/46/15/646544615.db2.gz LGMPFIHNDFYKRX-RMEBNNNOSA-N 2 2 234.387 2.271 20 0 BEADLP C[C@H]1CC[C@H](C)C1[NH2+]CC1([NH+](C)C)CCC1 ZINC000926236130 646603459 /nfs/dbraw/zinc/60/34/59/646603459.db2.gz AMOLPJUUZGJAGA-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](F)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926484804 646656631 /nfs/dbraw/zinc/65/66/31/646656631.db2.gz FDDPLPSYSVKQHB-AVGNSLFASA-N 2 2 228.355 2.341 20 0 BEADLP C[C@H](F)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926484804 646656634 /nfs/dbraw/zinc/65/66/34/646656634.db2.gz FDDPLPSYSVKQHB-AVGNSLFASA-N 2 2 228.355 2.341 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000926513298 646669265 /nfs/dbraw/zinc/66/92/65/646669265.db2.gz LZHZSRUAJDGQFS-KWCYVHTRSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000926513298 646669271 /nfs/dbraw/zinc/66/92/71/646669271.db2.gz LZHZSRUAJDGQFS-KWCYVHTRSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396583511 711702156 /nfs/dbraw/zinc/70/21/56/711702156.db2.gz QEFJEFWQOLOZHN-JQWIXIFHSA-N 2 2 224.373 2.287 20 0 BEADLP CC(C)([NH2+]CCC[NH2+]C1CC1)c1nccs1 ZINC000232557209 711760812 /nfs/dbraw/zinc/76/08/12/711760812.db2.gz XCBNANFQELARAX-UHFFFAOYSA-N 2 2 239.388 2.110 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000390480010 712418992 /nfs/dbraw/zinc/41/89/92/712418992.db2.gz MJPNOFXPZGMTIE-GMXVVIOVSA-N 2 2 242.432 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000390480010 712418994 /nfs/dbraw/zinc/41/89/94/712418994.db2.gz MJPNOFXPZGMTIE-GMXVVIOVSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CC1 ZINC000037156730 712549808 /nfs/dbraw/zinc/54/98/08/712549808.db2.gz GWVGCLFYBQBQKQ-GFCCVEGCSA-N 2 2 221.348 2.297 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000721166062 712893590 /nfs/dbraw/zinc/89/35/90/712893590.db2.gz GAUDSIQNPAUVHC-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+](CC[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000381491748 710646584 /nfs/dbraw/zinc/64/65/84/710646584.db2.gz YDZKDGANTFYHPU-UHFFFAOYSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000381491748 710646585 /nfs/dbraw/zinc/64/65/85/710646585.db2.gz YDZKDGANTFYHPU-UHFFFAOYSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000381581922 710658326 /nfs/dbraw/zinc/65/83/26/710658326.db2.gz AXRNHARIQGLGOA-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000381581922 710658331 /nfs/dbraw/zinc/65/83/31/710658331.db2.gz AXRNHARIQGLGOA-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)[NH+](C)C ZINC000723601195 710728908 /nfs/dbraw/zinc/72/89/08/710728908.db2.gz CBRUESMFQAEPNU-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CSC(C)(C)CC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000385334759 711011228 /nfs/dbraw/zinc/01/12/28/711011228.db2.gz VSLFODQJTNHGEG-NSHDSACASA-N 2 2 241.404 2.393 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000380740463 712902773 /nfs/dbraw/zinc/90/27/73/712902773.db2.gz RUBCFNZEOJPSJL-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000380740463 712902774 /nfs/dbraw/zinc/90/27/74/712902774.db2.gz RUBCFNZEOJPSJL-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP CC1(C)C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1[NH3+] ZINC000388161525 711053058 /nfs/dbraw/zinc/05/30/58/711053058.db2.gz UCKIONVZFLUUSC-HNNXBMFYSA-N 2 2 244.382 2.344 20 0 BEADLP CC1(C)C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1[NH3+] ZINC000388161525 711053060 /nfs/dbraw/zinc/05/30/60/711053060.db2.gz UCKIONVZFLUUSC-HNNXBMFYSA-N 2 2 244.382 2.344 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388183787 711053531 /nfs/dbraw/zinc/05/35/31/711053531.db2.gz YSANAXULARGGCJ-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388183787 711053534 /nfs/dbraw/zinc/05/35/34/711053534.db2.gz YSANAXULARGGCJ-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1cnc(Cl)s1)C1CC1 ZINC000393772833 711173863 /nfs/dbraw/zinc/17/38/63/711173863.db2.gz IFYATMGVYHORFG-SNVBAGLBSA-N 2 2 245.779 2.014 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000393804962 711175789 /nfs/dbraw/zinc/17/57/89/711175789.db2.gz VYUWAODSUQMIGK-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396567800 711354478 /nfs/dbraw/zinc/35/44/78/711354478.db2.gz WLGMVDJZOVRJFG-DOMZBBRYSA-N 2 2 232.371 2.479 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396693470 711365159 /nfs/dbraw/zinc/36/51/59/711365159.db2.gz LUNHBWMRLBKOIG-DZGCQCFKSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1nc(C)c(C[N@@H+]2CC[NH2+]CCC23CCC3)o1 ZINC000723650728 711530782 /nfs/dbraw/zinc/53/07/82/711530782.db2.gz NUYNNIFRHLECKD-UHFFFAOYSA-N 2 2 249.358 2.009 20 0 BEADLP Cc1nc(C)c(C[N@H+]2CC[NH2+]CCC23CCC3)o1 ZINC000723650728 711530783 /nfs/dbraw/zinc/53/07/83/711530783.db2.gz NUYNNIFRHLECKD-UHFFFAOYSA-N 2 2 249.358 2.009 20 0 BEADLP Cc1cc(C)[nH+]c(CN2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000723879717 711542119 /nfs/dbraw/zinc/54/21/19/711542119.db2.gz QSXGUCGUPAFNBC-RDBSUJKOSA-N 2 2 247.386 2.269 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000721550385 711622548 /nfs/dbraw/zinc/62/25/48/711622548.db2.gz OAIMCMARYMLPOK-AGIUHOORSA-N 2 2 242.407 2.120 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)C ZINC000168416964 711633239 /nfs/dbraw/zinc/63/32/39/711633239.db2.gz MZEHLIKKBRUJBY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)C ZINC000168416964 711633240 /nfs/dbraw/zinc/63/32/40/711633240.db2.gz MZEHLIKKBRUJBY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C(F)F)C1)[N@H+](C)C1CC1 ZINC000309546496 711636715 /nfs/dbraw/zinc/63/67/15/711636715.db2.gz GYLFMBZADBADMI-IDKOKCKLSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C(F)F)C1)[N@@H+](C)C1CC1 ZINC000309546496 711636717 /nfs/dbraw/zinc/63/67/17/711636717.db2.gz GYLFMBZADBADMI-IDKOKCKLSA-N 2 2 232.318 2.102 20 0 BEADLP CC(C)(C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000040494966 711691978 /nfs/dbraw/zinc/69/19/78/711691978.db2.gz GIFQCMZMVPUIKX-LBPRGKRZSA-N 2 2 206.333 2.322 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257643752 711720567 /nfs/dbraw/zinc/72/05/67/711720567.db2.gz BMQMDILBOIXBQO-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257643752 711720568 /nfs/dbraw/zinc/72/05/68/711720568.db2.gz BMQMDILBOIXBQO-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP CC1([NH3+])CC[NH+](CCSC(F)(F)F)CC1 ZINC000704541970 712110394 /nfs/dbraw/zinc/11/03/94/712110394.db2.gz OUDZCXMYMZGWKF-UHFFFAOYSA-N 2 2 242.310 2.053 20 0 BEADLP CCCOc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000379774197 712398514 /nfs/dbraw/zinc/39/85/14/712398514.db2.gz SSBXDIYFAPFUQZ-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000379774197 712398516 /nfs/dbraw/zinc/39/85/16/712398516.db2.gz SSBXDIYFAPFUQZ-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP Cc1noc(C)c1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713176197 712453570 /nfs/dbraw/zinc/45/35/70/712453570.db2.gz OYDIDGCKFOVTDY-UHFFFAOYSA-N 2 2 249.358 2.009 20 0 BEADLP Cc1noc(C)c1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713176197 712453571 /nfs/dbraw/zinc/45/35/71/712453571.db2.gz OYDIDGCKFOVTDY-UHFFFAOYSA-N 2 2 249.358 2.009 20 0 BEADLP CCCC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000037220373 712553424 /nfs/dbraw/zinc/55/34/24/712553424.db2.gz KJZLOCWGRSLEJO-NSHDSACASA-N 2 2 200.370 2.495 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CC2CC=CC2)CC[C@H]1C(F)(F)F ZINC000716998744 712603039 /nfs/dbraw/zinc/60/30/39/712603039.db2.gz LBQNSWABTRFQQK-GHMZBOCLSA-N 2 2 248.292 2.164 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1C(F)(F)F ZINC000716998744 712603040 /nfs/dbraw/zinc/60/30/40/712603040.db2.gz LBQNSWABTRFQQK-GHMZBOCLSA-N 2 2 248.292 2.164 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717042047 712624747 /nfs/dbraw/zinc/62/47/47/712624747.db2.gz DQBNQGCNZKPWIN-NXEZZACHSA-N 2 2 238.297 2.244 20 0 BEADLP CC(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717042047 712624748 /nfs/dbraw/zinc/62/47/48/712624748.db2.gz DQBNQGCNZKPWIN-NXEZZACHSA-N 2 2 238.297 2.244 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000380070472 712684890 /nfs/dbraw/zinc/68/48/90/712684890.db2.gz ISQOQNVKDMFRNK-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000380070472 712684891 /nfs/dbraw/zinc/68/48/91/712684891.db2.gz ISQOQNVKDMFRNK-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000718130637 712746913 /nfs/dbraw/zinc/74/69/13/712746913.db2.gz ISQDVTRJCUBAIC-QWHCGFSZSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000718130637 712746915 /nfs/dbraw/zinc/74/69/15/712746915.db2.gz ISQDVTRJCUBAIC-QWHCGFSZSA-N 2 2 234.343 2.304 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718862428 712786546 /nfs/dbraw/zinc/78/65/46/712786546.db2.gz VZCXBURXBSHRBZ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088175 712807036 /nfs/dbraw/zinc/80/70/36/712807036.db2.gz RFWQLIZCEFEJPY-VXGBXAGGSA-N 2 2 200.370 2.495 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1C ZINC000720770580 712864595 /nfs/dbraw/zinc/86/45/95/712864595.db2.gz XMQUPUZNZUFJIL-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1C ZINC000720770580 712864597 /nfs/dbraw/zinc/86/45/97/712864597.db2.gz XMQUPUZNZUFJIL-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP COc1c(C)cccc1NC(=[NH2+])SCC[NH3+] ZINC001167913366 959605558 /nfs/dbraw/zinc/60/55/58/959605558.db2.gz XJPAGZKKLARDKK-UHFFFAOYSA-N 2 2 239.344 2.042 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000695657776 960326875 /nfs/dbraw/zinc/32/68/75/960326875.db2.gz JECIBMYDABIMSG-UWVGGRQHSA-N 2 2 227.739 2.021 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167891632 961492129 /nfs/dbraw/zinc/49/21/29/961492129.db2.gz NDEGKWKILJPELF-WDNDVIMCSA-N 2 2 222.376 2.106 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCc1cccc(F)c1 ZINC000698076927 964975340 /nfs/dbraw/zinc/97/53/40/964975340.db2.gz BRJDXRGELADTLU-UHFFFAOYSA-N 2 2 238.350 2.298 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC001205102910 967348041 /nfs/dbraw/zinc/34/80/41/967348041.db2.gz WFMFNCNVCSKMHJ-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000069664004 1165904497 /nfs/dbraw/zinc/90/44/97/1165904497.db2.gz XLGCDFVAKQNWQS-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000069664004 1165904498 /nfs/dbraw/zinc/90/44/98/1165904498.db2.gz XLGCDFVAKQNWQS-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)cn1)[NH+](C)C ZINC000703887649 967882372 /nfs/dbraw/zinc/88/23/72/967882372.db2.gz XOGAAAGTIRDGDJ-JTQLQIEISA-N 2 2 241.766 2.165 20 0 BEADLP C/C(=C/c1ccccc1)C[NH2+][C@H]1CCC[NH2+]C1 ZINC000212120565 1166127695 /nfs/dbraw/zinc/12/76/95/1166127695.db2.gz DMBGWSHYLPMJBD-WVUXNXBLSA-N 2 2 230.355 2.432 20 0 BEADLP CS[C@H](C)CC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208151183 969071912 /nfs/dbraw/zinc/07/19/12/969071912.db2.gz SYVHKGRQADSZJL-FRRDWIJNSA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208151183 969071920 /nfs/dbraw/zinc/07/19/20/969071920.db2.gz SYVHKGRQADSZJL-FRRDWIJNSA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208151183 969071933 /nfs/dbraw/zinc/07/19/33/969071933.db2.gz SYVHKGRQADSZJL-FRRDWIJNSA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208151183 969071945 /nfs/dbraw/zinc/07/19/45/969071945.db2.gz SYVHKGRQADSZJL-FRRDWIJNSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000723478200 969319102 /nfs/dbraw/zinc/31/91/02/969319102.db2.gz ODWGKCINVZJFFF-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001169246259 969536530 /nfs/dbraw/zinc/53/65/30/969536530.db2.gz RAMYFWVTSXVSHJ-CYBMUJFWSA-N 2 2 228.355 2.295 20 0 BEADLP CC[NH+]1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001169246259 969536537 /nfs/dbraw/zinc/53/65/37/969536537.db2.gz RAMYFWVTSXVSHJ-CYBMUJFWSA-N 2 2 228.355 2.295 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cs1 ZINC000309035054 1166468550 /nfs/dbraw/zinc/46/85/50/1166468550.db2.gz FKSWZTRUDYENAO-LBPRGKRZSA-N 2 2 224.373 2.226 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cs1 ZINC000309035054 1166468555 /nfs/dbraw/zinc/46/85/55/1166468555.db2.gz FKSWZTRUDYENAO-LBPRGKRZSA-N 2 2 224.373 2.226 20 0 BEADLP CC1CC(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254832531 969796252 /nfs/dbraw/zinc/79/62/52/969796252.db2.gz GWYZHZRBAVQLMU-UBHUBRDASA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)C1CCSCC1 ZINC001255094510 969932698 /nfs/dbraw/zinc/93/26/98/969932698.db2.gz DSQNXZDKEFKFKF-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCSCC1 ZINC001255094510 969932705 /nfs/dbraw/zinc/93/27/05/969932705.db2.gz DSQNXZDKEFKFKF-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C\C1CC1 ZINC000378865517 1166566047 /nfs/dbraw/zinc/56/60/47/1166566047.db2.gz ZNVNVZVNFQOFAZ-ZRNPCAPESA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C\C1CC1 ZINC000378865517 1166566055 /nfs/dbraw/zinc/56/60/55/1166566055.db2.gz ZNVNVZVNFQOFAZ-ZRNPCAPESA-N 2 2 220.360 2.025 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCSCC2)C1 ZINC000109068497 1166592952 /nfs/dbraw/zinc/59/29/52/1166592952.db2.gz FMTLMPIMFHDRJW-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCSCC2)C1 ZINC000109068497 1166592961 /nfs/dbraw/zinc/59/29/61/1166592961.db2.gz FMTLMPIMFHDRJW-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](CC(F)(F)F)[NH+]1CCC([NH+](C)C)CC1 ZINC001255645658 970421239 /nfs/dbraw/zinc/42/12/39/970421239.db2.gz IFOPQPKRTNEQJK-SECBINFHSA-N 2 2 238.297 2.353 20 0 BEADLP Cc1ccc(NCc2ccc(N)[nH+]c2C)[nH+]c1 ZINC001167782204 1166755201 /nfs/dbraw/zinc/75/52/01/1166755201.db2.gz SAKANQDUXIVTQS-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccno1 ZINC001255954352 970587749 /nfs/dbraw/zinc/58/77/49/970587749.db2.gz CMCGESAUQPLYRF-NWDGAFQWSA-N 2 2 239.363 2.446 20 0 BEADLP CC(C)CC[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028352 1166852821 /nfs/dbraw/zinc/85/28/21/1166852821.db2.gz CECGAKYECXXPFB-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCSC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173316540 975303672 /nfs/dbraw/zinc/30/36/72/975303672.db2.gz XVHNLQQTTOJDRT-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173316540 975303677 /nfs/dbraw/zinc/30/36/77/975303677.db2.gz XVHNLQQTTOJDRT-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001173316540 975303682 /nfs/dbraw/zinc/30/36/82/975303682.db2.gz XVHNLQQTTOJDRT-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001173316540 975303687 /nfs/dbraw/zinc/30/36/87/975303687.db2.gz XVHNLQQTTOJDRT-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CCCC[C@@H](CC)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251358500 1167136405 /nfs/dbraw/zinc/13/64/05/1167136405.db2.gz OYSBVHDYLMIMNZ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@@H](CC)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251358500 1167136414 /nfs/dbraw/zinc/13/64/14/1167136414.db2.gz OYSBVHDYLMIMNZ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncs1 ZINC000309443053 1167306713 /nfs/dbraw/zinc/30/67/13/1167306713.db2.gz IZWMBQBQBCNEFA-NSHDSACASA-N 2 2 241.404 2.353 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000226298402 1167346394 /nfs/dbraw/zinc/34/63/94/1167346394.db2.gz RAZXFHUIDBZFSH-HIFRSBDPSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000226298402 1167346399 /nfs/dbraw/zinc/34/63/99/1167346399.db2.gz RAZXFHUIDBZFSH-HIFRSBDPSA-N 2 2 232.371 2.473 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000226298695 1167350151 /nfs/dbraw/zinc/35/01/51/1167350151.db2.gz VTEPHAKUKDFTLL-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000226298695 1167350154 /nfs/dbraw/zinc/35/01/54/1167350154.db2.gz VTEPHAKUKDFTLL-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000310155388 1167424500 /nfs/dbraw/zinc/42/45/00/1167424500.db2.gz GZBUEVTYTHSJPR-JTNHKYCSSA-N 2 2 236.334 2.178 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000310155388 1167424502 /nfs/dbraw/zinc/42/45/02/1167424502.db2.gz GZBUEVTYTHSJPR-JTNHKYCSSA-N 2 2 236.334 2.178 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001236240827 979461726 /nfs/dbraw/zinc/46/17/26/979461726.db2.gz MWVVJWQFELCTKZ-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP Cc1ccc(Nc2c[nH+]cn2C)c(C)[nH+]1 ZINC001203369785 979462105 /nfs/dbraw/zinc/46/21/05/979462105.db2.gz CGBPGNABTVTBPU-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP Cc1cccc(C[N@H+](CC[NH3+])C2CC2)c1C ZINC001236535558 979627423 /nfs/dbraw/zinc/62/74/23/979627423.db2.gz WRCCDXPCZWEBHH-UHFFFAOYSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cccc(C[N@@H+](CC[NH3+])C2CC2)c1C ZINC001236535558 979627427 /nfs/dbraw/zinc/62/74/27/979627427.db2.gz WRCCDXPCZWEBHH-UHFFFAOYSA-N 2 2 218.344 2.227 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(COC)cc1 ZINC001236868406 979770264 /nfs/dbraw/zinc/77/02/64/979770264.db2.gz BUYMUUITICUKED-AWEZNQCLSA-N 2 2 236.359 2.002 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(COC)cc1 ZINC001236868406 979770272 /nfs/dbraw/zinc/77/02/72/979770272.db2.gz BUYMUUITICUKED-AWEZNQCLSA-N 2 2 236.359 2.002 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](Nc2ccc(N)c[nH+]2)[C@H](C)C1 ZINC001163360101 1168406856 /nfs/dbraw/zinc/40/68/56/1168406856.db2.gz BSRADBRQKCKZLW-YPMHNXCESA-N 2 2 248.374 2.195 20 0 BEADLP CC(C)[N@H+]1CC[C@H](Nc2ccc(N)c[nH+]2)[C@H](C)C1 ZINC001163360101 1168406858 /nfs/dbraw/zinc/40/68/58/1168406858.db2.gz BSRADBRQKCKZLW-YPMHNXCESA-N 2 2 248.374 2.195 20 0 BEADLP CCc1[nH]c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C)[nH+]1 ZINC001203236185 1168777370 /nfs/dbraw/zinc/77/73/70/1168777370.db2.gz FHQWPSCUIURSJG-GARJFASQSA-N 2 2 237.322 2.070 20 0 BEADLP CCc1[nH]c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C)[nH+]1 ZINC001203236185 1168777376 /nfs/dbraw/zinc/77/73/76/1168777376.db2.gz FHQWPSCUIURSJG-GARJFASQSA-N 2 2 237.322 2.070 20 0 BEADLP CCc1[nH]c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC001203247794 1168968008 /nfs/dbraw/zinc/96/80/08/1168968008.db2.gz JLYADSKWVINIOB-CMPLNLGQSA-N 2 2 219.332 2.265 20 0 BEADLP CCc1[nH]c(C[N@H+]2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC001203247794 1168968017 /nfs/dbraw/zinc/96/80/17/1168968017.db2.gz JLYADSKWVINIOB-CMPLNLGQSA-N 2 2 219.332 2.265 20 0 BEADLP CC(C)CC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201626614 983380172 /nfs/dbraw/zinc/38/01/72/983380172.db2.gz LKIHJIBUOXPXGO-STQMWFEESA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201626614 983380180 /nfs/dbraw/zinc/38/01/80/983380180.db2.gz LKIHJIBUOXPXGO-STQMWFEESA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201626614 983380186 /nfs/dbraw/zinc/38/01/86/983380186.db2.gz LKIHJIBUOXPXGO-STQMWFEESA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201626614 983380192 /nfs/dbraw/zinc/38/01/92/983380192.db2.gz LKIHJIBUOXPXGO-STQMWFEESA-N 2 2 210.365 2.059 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccccc1F ZINC000380671085 1169238203 /nfs/dbraw/zinc/23/82/03/1169238203.db2.gz BEIBKDPWCGUDSM-QWRGUYRKSA-N 2 2 224.323 2.036 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccccc1F ZINC000380671085 1169238213 /nfs/dbraw/zinc/23/82/13/1169238213.db2.gz BEIBKDPWCGUDSM-QWRGUYRKSA-N 2 2 224.323 2.036 20 0 BEADLP CCOCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172415857 974685614 /nfs/dbraw/zinc/68/56/14/974685614.db2.gz IKKWRIDPQBPIFQ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCOCC[C@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001172426512 974703598 /nfs/dbraw/zinc/70/35/98/974703598.db2.gz YPNSUPVVOCGTHF-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP CCOCC[C@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001172426512 974703602 /nfs/dbraw/zinc/70/36/02/974703602.db2.gz YPNSUPVVOCGTHF-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP C[NH+]1CCC([NH2+]C(C)(C)c2ccncc2)CC1 ZINC001256200302 1169281854 /nfs/dbraw/zinc/28/18/54/1169281854.db2.gz OXICWGWDZLBFGY-UHFFFAOYSA-N 2 2 233.359 2.001 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172445516 974807992 /nfs/dbraw/zinc/80/79/92/974807992.db2.gz QZQHVTJVQVPGIJ-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172445516 974807996 /nfs/dbraw/zinc/80/79/96/974807996.db2.gz QZQHVTJVQVPGIJ-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP Nc1[nH+]cccc1-c1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC001243476375 970771674 /nfs/dbraw/zinc/77/16/74/970771674.db2.gz CVJYVGYZTZSQBR-ZDUSSCGKSA-N 2 2 225.295 2.277 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403597060 970991643 /nfs/dbraw/zinc/99/16/43/970991643.db2.gz ZXEIAZRMEJEFCD-FOIKRFTLSA-N 2 2 240.416 2.097 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403597060 970991653 /nfs/dbraw/zinc/99/16/53/970991653.db2.gz ZXEIAZRMEJEFCD-FOIKRFTLSA-N 2 2 240.416 2.097 20 0 BEADLP CNc1cc(Nc2cc(OC)cc[nH+]2)cc[nH+]1 ZINC001216330809 971040663 /nfs/dbraw/zinc/04/06/63/971040663.db2.gz BZRFLLLDUMGOTN-UHFFFAOYSA-N 2 2 230.271 2.271 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000405775706 971306293 /nfs/dbraw/zinc/30/62/93/971306293.db2.gz BKZMZZZKOPUCPH-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000405775706 971306299 /nfs/dbraw/zinc/30/62/99/971306299.db2.gz BKZMZZZKOPUCPH-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2coc3ccccc23)C1 ZINC000405848044 971315250 /nfs/dbraw/zinc/31/52/50/971315250.db2.gz WHIXHYHROCHHMB-CQSZACIVSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000405848044 971315258 /nfs/dbraw/zinc/31/52/58/971315258.db2.gz WHIXHYHROCHHMB-CQSZACIVSA-N 2 2 230.311 2.356 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405888750 971318137 /nfs/dbraw/zinc/31/81/37/971318137.db2.gz XDMVLPZGFHHGKN-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC000405888750 971318143 /nfs/dbraw/zinc/31/81/43/971318143.db2.gz XDMVLPZGFHHGKN-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000405890622 971319104 /nfs/dbraw/zinc/31/91/04/971319104.db2.gz OIGHJQWBFHLGOF-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000405890622 971319111 /nfs/dbraw/zinc/31/91/11/971319111.db2.gz OIGHJQWBFHLGOF-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257432491 971340210 /nfs/dbraw/zinc/34/02/10/971340210.db2.gz YYOZYZSUVRZNIO-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257432491 971340213 /nfs/dbraw/zinc/34/02/13/971340213.db2.gz YYOZYZSUVRZNIO-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cn(C2CCCCC2)c1CC[NH3+] ZINC001257449789 971365651 /nfs/dbraw/zinc/36/56/51/971365651.db2.gz SOICHILMZZARPN-UHFFFAOYSA-N 2 2 207.321 2.198 20 0 BEADLP c1cc(OCC[NH2+]C2CCCCC2)cc[nH+]1 ZINC001257453644 971373723 /nfs/dbraw/zinc/37/37/23/971373723.db2.gz FVMJYHNXDDZVKW-UHFFFAOYSA-N 2 2 220.316 2.383 20 0 BEADLP Cc1cc(C)c(C[NH+]2CC3(C2)CC[NH2+]C3)cc1C ZINC000724058817 971386923 /nfs/dbraw/zinc/38/69/23/971386923.db2.gz NHTKCBOCTYSNFR-UHFFFAOYSA-N 2 2 244.382 2.407 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCCSC1 ZINC001257684139 971488872 /nfs/dbraw/zinc/48/88/72/971488872.db2.gz RSVNTHDKRPXSMA-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCSC1 ZINC001257684139 971488878 /nfs/dbraw/zinc/48/88/78/971488878.db2.gz RSVNTHDKRPXSMA-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716378 971634178 /nfs/dbraw/zinc/63/41/78/971634178.db2.gz SQMSWJKCDUJGOP-SYQHCUMBSA-N 2 2 236.403 2.495 20 0 BEADLP C[N@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170741248 971687071 /nfs/dbraw/zinc/68/70/71/971687071.db2.gz UBTAYPCRTCFGBL-ZSOGYDGISA-N 2 2 236.403 2.447 20 0 BEADLP C[N@@H+]([C@@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170741248 971687077 /nfs/dbraw/zinc/68/70/77/971687077.db2.gz UBTAYPCRTCFGBL-ZSOGYDGISA-N 2 2 236.403 2.447 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001172317749 974524066 /nfs/dbraw/zinc/52/40/66/974524066.db2.gz UDGLVUFWAQXCOS-CHWSQXEVSA-N 2 2 239.363 2.066 20 0 BEADLP C[C@@H]([NH3+])CCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001170891313 972046473 /nfs/dbraw/zinc/04/64/73/972046473.db2.gz SVPRSTSDSVWHGO-GFCCVEGCSA-N 2 2 244.342 2.081 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC(C)C ZINC000190757009 972055926 /nfs/dbraw/zinc/05/59/26/972055926.db2.gz NDMSSXCJEVTGHL-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC(C)C ZINC000190757009 972055929 /nfs/dbraw/zinc/05/59/29/972055929.db2.gz NDMSSXCJEVTGHL-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001170959410 972163337 /nfs/dbraw/zinc/16/33/37/972163337.db2.gz YLIUIGVTEBSWDP-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001170959410 972163340 /nfs/dbraw/zinc/16/33/40/972163340.db2.gz YLIUIGVTEBSWDP-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP c1ccc2c(c1)NCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246226936 972234944 /nfs/dbraw/zinc/23/49/44/972234944.db2.gz DBRMYDOSGULUKX-SWLSCSKDSA-N 2 2 245.370 2.275 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@](C)(F)[C@H](F)C2)C1 ZINC001208609113 957102696 /nfs/dbraw/zinc/10/26/96/957102696.db2.gz YDDFORKMBDPBSR-XQQFMLRXSA-N 2 2 246.345 2.100 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@](C)(F)[C@H](F)C2)C1 ZINC001208609113 957102708 /nfs/dbraw/zinc/10/27/08/957102708.db2.gz YDDFORKMBDPBSR-XQQFMLRXSA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)C1 ZINC001208609113 957102715 /nfs/dbraw/zinc/10/27/15/957102715.db2.gz YDDFORKMBDPBSR-XQQFMLRXSA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@](C)(F)[C@H](F)C2)C1 ZINC001208609113 957102719 /nfs/dbraw/zinc/10/27/19/957102719.db2.gz YDDFORKMBDPBSR-XQQFMLRXSA-N 2 2 246.345 2.100 20 0 BEADLP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246330162 972293691 /nfs/dbraw/zinc/29/36/91/972293691.db2.gz VIBAUWQBPMLJGY-MCIONIFRSA-N 2 2 248.370 2.184 20 0 BEADLP Cc1[nH+]c2ccccn2c1Nc1c[nH+]cn1C ZINC001211246495 958109610 /nfs/dbraw/zinc/10/96/10/958109610.db2.gz CACIAVBLFBRCLQ-UHFFFAOYSA-N 2 2 227.271 2.120 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(N(C)C)c1 ZINC001246468935 972348621 /nfs/dbraw/zinc/34/86/21/972348621.db2.gz MPPMIYMXAOSVIK-GXTWGEPZSA-N 2 2 247.386 2.155 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)CCc2cccs2)C[NH2+]1 ZINC000398983359 958471636 /nfs/dbraw/zinc/47/16/36/958471636.db2.gz GZQPIKSYMXATID-NWDGAFQWSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)CCc2cccs2)C[NH2+]1 ZINC000398983359 958471652 /nfs/dbraw/zinc/47/16/52/958471652.db2.gz GZQPIKSYMXATID-NWDGAFQWSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399004265 958480499 /nfs/dbraw/zinc/48/04/99/958480499.db2.gz VXSOUWSOVDGRRA-WDEREUQCSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cc(C)[nH+]c(NC2C[NH+](C(C)C)C2)c1 ZINC000707927396 958843409 /nfs/dbraw/zinc/84/34/09/958843409.db2.gz MYGUHNMLJUBWTI-UHFFFAOYSA-N 2 2 219.332 2.203 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C[C@H]12 ZINC001167913603 959165805 /nfs/dbraw/zinc/16/58/05/959165805.db2.gz OYXUKIBQXSPEHU-RNJOBUHISA-N 2 2 220.360 2.001 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C[C@H]12 ZINC001167913603 959165811 /nfs/dbraw/zinc/16/58/11/959165811.db2.gz OYXUKIBQXSPEHU-RNJOBUHISA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1CC1(C)C ZINC000309446292 959255732 /nfs/dbraw/zinc/25/57/32/959255732.db2.gz LLGARKKCWYDNEZ-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1CC1(C)C ZINC000309446292 959255743 /nfs/dbraw/zinc/25/57/43/959255743.db2.gz LLGARKKCWYDNEZ-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cs1 ZINC001222236770 972415344 /nfs/dbraw/zinc/41/53/44/972415344.db2.gz AVQQBTVRBAXHEO-ZDUSSCGKSA-N 2 2 236.384 2.466 20 0 BEADLP c1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cs1 ZINC001222236770 972415351 /nfs/dbraw/zinc/41/53/51/972415351.db2.gz AVQQBTVRBAXHEO-ZDUSSCGKSA-N 2 2 236.384 2.466 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246530695 972437040 /nfs/dbraw/zinc/43/70/40/972437040.db2.gz NXLXFAOVIFAQPH-SWLSCSKDSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246530695 972437050 /nfs/dbraw/zinc/43/70/50/972437050.db2.gz NXLXFAOVIFAQPH-SWLSCSKDSA-N 2 2 248.345 2.106 20 0 BEADLP CCc1cccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c1 ZINC001222339799 972439177 /nfs/dbraw/zinc/43/91/77/972439177.db2.gz GFSTYHXDJNCSAM-UHFFFAOYSA-N 2 2 244.382 2.434 20 0 BEADLP CCCc1cc(NCC[NH2+]C)nc(CCC)[nH+]1 ZINC001167723157 960223954 /nfs/dbraw/zinc/22/39/54/960223954.db2.gz LDCGEXXWAYTUKA-UHFFFAOYSA-N 2 2 236.363 2.013 20 0 BEADLP C[N@H+](C1CC1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708045 960522805 /nfs/dbraw/zinc/52/28/05/960522805.db2.gz ONCFIZIFMBPOGN-UHFFFAOYSA-N 2 2 233.359 2.073 20 0 BEADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708045 960522817 /nfs/dbraw/zinc/52/28/17/960522817.db2.gz ONCFIZIFMBPOGN-UHFFFAOYSA-N 2 2 233.359 2.073 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cnccc1C ZINC001141048392 960841261 /nfs/dbraw/zinc/84/12/61/960841261.db2.gz LXXRPEKUMCGVIZ-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cnccc1C ZINC001141048392 960841262 /nfs/dbraw/zinc/84/12/62/960841262.db2.gz LXXRPEKUMCGVIZ-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC=[NH2+])nc1 ZINC001167865772 961346301 /nfs/dbraw/zinc/34/63/01/961346301.db2.gz ZBTHCZZYXUZMLT-LLVKDONJSA-N 2 2 232.331 2.475 20 0 BEADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC=[NH2+])nc1 ZINC001167865772 961346332 /nfs/dbraw/zinc/34/63/32/961346332.db2.gz ZBTHCZZYXUZMLT-LLVKDONJSA-N 2 2 232.331 2.475 20 0 BEADLP Cc1nc(NC[C@H]2CCCC[NH2+]2)cc(C(C)C)[nH+]1 ZINC000709799151 961575407 /nfs/dbraw/zinc/57/54/07/961575407.db2.gz NXTKUDDRTAKVPZ-GFCCVEGCSA-N 2 2 248.374 2.462 20 0 BEADLP Cc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc(C(C)C)[nH+]1 ZINC000709794633 961582277 /nfs/dbraw/zinc/58/22/77/961582277.db2.gz FEKMULQLFOTOBK-GHMZBOCLSA-N 2 2 248.374 2.095 20 0 BEADLP Cc1nc(NCC(C)(C)[NH3+])cc(C(C)C)[nH+]1 ZINC000709832118 961678668 /nfs/dbraw/zinc/67/86/68/961678668.db2.gz SLXJADJPEVZYGG-UHFFFAOYSA-N 2 2 222.336 2.058 20 0 BEADLP Cc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)cc(C(C)C)[nH+]1 ZINC000709843883 961708856 /nfs/dbraw/zinc/70/88/56/961708856.db2.gz XKGFVERTKKYOOJ-CMPLNLGQSA-N 2 2 248.374 2.224 20 0 BEADLP Cc1ncc(Cl)cc1NC(=[NH2+])SCC[NH3+] ZINC001167911721 961819980 /nfs/dbraw/zinc/81/99/80/961819980.db2.gz FMGQEZXSEVHGFC-UHFFFAOYSA-N 2 2 244.751 2.082 20 0 BEADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167918448 961904247 /nfs/dbraw/zinc/90/42/47/961904247.db2.gz UDRUHGUDZJTGKA-XGUBFFRZSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167918448 961904283 /nfs/dbraw/zinc/90/42/83/961904283.db2.gz UDRUHGUDZJTGKA-XGUBFFRZSA-N 2 2 234.387 2.249 20 0 BEADLP Cc1scnc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632858 962153773 /nfs/dbraw/zinc/15/37/73/962153773.db2.gz PHBIABLXBAKGNL-LLVKDONJSA-N 2 2 239.388 2.012 20 0 BEADLP Cc1scnc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632858 962153784 /nfs/dbraw/zinc/15/37/84/962153784.db2.gz PHBIABLXBAKGNL-LLVKDONJSA-N 2 2 239.388 2.012 20 0 BEADLP c1cn([C@@H]2C[C@H]3C[C@H]3C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001167951131 962657926 /nfs/dbraw/zinc/65/79/26/962657926.db2.gz GRHASIFHVIGCMZ-FVCCEPFGSA-N 2 2 231.343 2.321 20 0 BEADLP c1cn([C@@H]2C[C@H]3C[C@H]3C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001167951139 962663149 /nfs/dbraw/zinc/66/31/49/962663149.db2.gz GRHASIFHVIGCMZ-RVMXOQNASA-N 2 2 231.343 2.321 20 0 BEADLP Cc1nc(-n2cccc2C[NH3+])cc(C(C)C)[nH+]1 ZINC001156723890 963445569 /nfs/dbraw/zinc/44/55/69/963445569.db2.gz MOQNVDUMNREUMC-UHFFFAOYSA-N 2 2 230.315 2.158 20 0 BEADLP Nc1cc(CNc2cc3[nH]ccc3c[nH+]2)cc[nH+]1 ZINC001156755963 963455240 /nfs/dbraw/zinc/45/52/40/963455240.db2.gz LIVLCLWYEHFLII-UHFFFAOYSA-N 2 2 239.282 2.152 20 0 BEADLP C=Cc1ccc(NCC[C@H]2CCC[NH2+]2)[nH+]c1 ZINC001158626772 963895359 /nfs/dbraw/zinc/89/53/59/963895359.db2.gz AVPSSLIMIUTRSN-GFCCVEGCSA-N 2 2 217.316 2.279 20 0 BEADLP Cc1cc(NCC2C[NH+](C)C2)nc(C(C)(C)C)[nH+]1 ZINC001159223266 964027156 /nfs/dbraw/zinc/02/71/56/964027156.db2.gz ZINYPFZKMOGPNK-UHFFFAOYSA-N 2 2 248.374 2.056 20 0 BEADLP CCOc1cc(NC2=C[NH2+]CCC2)cc(C)[nH+]1 ZINC001159254445 964030567 /nfs/dbraw/zinc/03/05/67/964030567.db2.gz XBUVKJHPILCGHX-UHFFFAOYSA-N 2 2 233.315 2.425 20 0 BEADLP CSc1cc(NC2=C[NH2+]CCC2)cc[nH+]1 ZINC001159370944 964064931 /nfs/dbraw/zinc/06/49/31/964064931.db2.gz CAWRNBDKMBOCDF-UHFFFAOYSA-N 2 2 221.329 2.440 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000721246922 964089125 /nfs/dbraw/zinc/08/91/25/964089125.db2.gz UEZBXTJJRGDKKJ-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]([NH3+])CCNc1cc2ccccc2c[nH+]1 ZINC001159774685 964191271 /nfs/dbraw/zinc/19/12/71/964191271.db2.gz KPGGHGAHPNRDAC-SNVBAGLBSA-N 2 2 215.300 2.384 20 0 BEADLP Cc1nc(NCC[C@H]2CCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001160970979 964460882 /nfs/dbraw/zinc/46/08/82/964460882.db2.gz UHHVUCNUAHWVJH-CYBMUJFWSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(NCC[C@H]2CCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001160970979 964460890 /nfs/dbraw/zinc/46/08/90/964460890.db2.gz UHHVUCNUAHWVJH-CYBMUJFWSA-N 2 2 248.374 2.298 20 0 BEADLP CN(c1cc(N)cc[nH+]1)c1cccc2[nH+]c[nH]c21 ZINC001213030783 964549218 /nfs/dbraw/zinc/54/92/18/964549218.db2.gz QWTBTTTWXQDBSQ-UHFFFAOYSA-N 2 2 239.282 2.308 20 0 BEADLP Cc1c[nH+]c(NCc2c[nH+]cn2C(C)C)cc1N ZINC001161569134 964645054 /nfs/dbraw/zinc/64/50/54/964645054.db2.gz IVGRYMZCUNVZCX-UHFFFAOYSA-N 2 2 245.330 2.362 20 0 BEADLP CSc1cc[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162328591 964933864 /nfs/dbraw/zinc/93/38/64/964933864.db2.gz GTLYKEPOLJPOLW-DKTWLAJQSA-N 2 2 223.345 2.095 20 0 BEADLP Cc1nc(N[C@@]2(C)CCC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC001162339144 964937847 /nfs/dbraw/zinc/93/78/47/964937847.db2.gz ICIRYNDEVWMAEL-AWEZNQCLSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(N[C@@]2(C)CCC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC001162339144 964937850 /nfs/dbraw/zinc/93/78/50/964937850.db2.gz ICIRYNDEVWMAEL-AWEZNQCLSA-N 2 2 248.374 2.298 20 0 BEADLP C[C@H]1C[NH2+]CCC[C@H]1C[NH2+]c1ccc(O)cc1 ZINC001162465504 964989601 /nfs/dbraw/zinc/98/96/01/964989601.db2.gz HTQJGONQJXFLIR-RYUDHWBXSA-N 2 2 234.343 2.440 20 0 BEADLP CC(C)COc1cc(N[C@@H]2CC[NH2+][C@@H]2C)cc[nH+]1 ZINC001162675957 965109338 /nfs/dbraw/zinc/10/93/38/965109338.db2.gz JFUWUJXEYWDPAQ-DGCLKSJQSA-N 2 2 249.358 2.279 20 0 BEADLP Cc1cc[nH+]c(C)c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162983435 965218522 /nfs/dbraw/zinc/21/85/22/965218522.db2.gz WWKAOSKTSXCYFV-GXTWGEPZSA-N 2 2 231.343 2.395 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCCCC3)C[C@H]21 ZINC001257461547 1169870740 /nfs/dbraw/zinc/87/07/40/1169870740.db2.gz VDNIWBMEYLLABW-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCCCC3)C[C@H]21 ZINC001257461547 1169870752 /nfs/dbraw/zinc/87/07/52/1169870752.db2.gz VDNIWBMEYLLABW-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCCC3)C[C@H]21 ZINC001257461547 1169870765 /nfs/dbraw/zinc/87/07/65/1169870765.db2.gz VDNIWBMEYLLABW-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCCCC3)C[C@H]21 ZINC001257461547 1169870774 /nfs/dbraw/zinc/87/07/74/1169870774.db2.gz VDNIWBMEYLLABW-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)[nH+]c1C ZINC001165073757 965953757 /nfs/dbraw/zinc/95/37/57/965953757.db2.gz VVZZRQXULUORSV-CYBMUJFWSA-N 2 2 233.359 2.229 20 0 BEADLP Cc1c(F)cc[nH+]c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165238766 966003449 /nfs/dbraw/zinc/00/34/49/966003449.db2.gz HFOMVQGLDPYGMA-CQSZACIVSA-N 2 2 249.333 2.109 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](CCCc1ccccc1F)C2 ZINC001235980511 966197740 /nfs/dbraw/zinc/19/77/40/966197740.db2.gz PSCGMKQKIQVFFI-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](CCCc1ccccc1F)C2 ZINC001235980511 966197758 /nfs/dbraw/zinc/19/77/58/966197758.db2.gz PSCGMKQKIQVFFI-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP COc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(C)c1C ZINC001206711687 966251165 /nfs/dbraw/zinc/25/11/65/966251165.db2.gz MYKJHSDGZKCWDM-UHFFFAOYSA-N 2 2 248.370 2.093 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001236167561 966280502 /nfs/dbraw/zinc/28/05/02/966280502.db2.gz DARPKPYCKWKKPR-GFCCVEGCSA-N 2 2 242.322 2.078 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001236167561 966280509 /nfs/dbraw/zinc/28/05/09/966280509.db2.gz DARPKPYCKWKKPR-GFCCVEGCSA-N 2 2 242.322 2.078 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])C3)c21 ZINC001236170664 966290186 /nfs/dbraw/zinc/29/01/86/966290186.db2.gz YZPFOFIERJLQAF-GFCCVEGCSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])C3)c21 ZINC001236170664 966290204 /nfs/dbraw/zinc/29/02/04/966290204.db2.gz YZPFOFIERJLQAF-GFCCVEGCSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])C3)c[nH]c21 ZINC001236170703 966290919 /nfs/dbraw/zinc/29/09/19/966290919.db2.gz YWZRUSJCOGQJNT-GFCCVEGCSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])C3)c[nH]c21 ZINC001236170703 966290925 /nfs/dbraw/zinc/29/09/25/966290925.db2.gz YWZRUSJCOGQJNT-GFCCVEGCSA-N 2 2 229.327 2.009 20 0 BEADLP [NH3+]C1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001166661491 966351911 /nfs/dbraw/zinc/35/19/11/966351911.db2.gz GHEWZYPCFRDZMN-UHFFFAOYSA-N 2 2 227.311 2.162 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2scnc2c1 ZINC001236900067 966612399 /nfs/dbraw/zinc/61/23/99/966612399.db2.gz OJOMUHQAGSBPOY-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2scnc2c1 ZINC001236900067 966612404 /nfs/dbraw/zinc/61/24/04/966612404.db2.gz OJOMUHQAGSBPOY-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP CNc1ccc(Nc2cc[nH+]c3c2CCC3)c[nH+]1 ZINC001203449232 966649742 /nfs/dbraw/zinc/64/97/42/966649742.db2.gz CVAVIUBTCHFVKA-UHFFFAOYSA-N 2 2 240.310 2.173 20 0 BEADLP CC/C=C\CCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276465939 966999883 /nfs/dbraw/zinc/99/98/83/966999883.db2.gz URTBIQLFXHCBDF-PLNGDYQASA-N 2 2 222.376 2.370 20 0 BEADLP CC/C=C\CCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276465939 966999887 /nfs/dbraw/zinc/99/98/87/966999887.db2.gz URTBIQLFXHCBDF-PLNGDYQASA-N 2 2 222.376 2.370 20 0 BEADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204660836 967123542 /nfs/dbraw/zinc/12/35/42/967123542.db2.gz NVUKNFPRXZSVTR-UHFFFAOYSA-N 2 2 243.354 2.272 20 0 BEADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[NH2+]CC1 ZINC001204660836 967123546 /nfs/dbraw/zinc/12/35/46/967123546.db2.gz NVUKNFPRXZSVTR-UHFFFAOYSA-N 2 2 243.354 2.272 20 0 BEADLP Cc1ccc2c(C[N@@H+]3CC[C@@](C)([NH3+])C3)c[nH]c2c1 ZINC001204770568 967161871 /nfs/dbraw/zinc/16/18/71/967161871.db2.gz GVRWHWYXSWKLSU-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1ccc2c(C[N@H+]3CC[C@@](C)([NH3+])C3)c[nH]c2c1 ZINC001204770568 967161880 /nfs/dbraw/zinc/16/18/80/967161880.db2.gz GVRWHWYXSWKLSU-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@](C)([NH3+])C3)c21 ZINC001204784004 967166489 /nfs/dbraw/zinc/16/64/89/967166489.db2.gz XJPGFUWPIHGQSO-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@](C)([NH3+])C3)c21 ZINC001204784004 967166496 /nfs/dbraw/zinc/16/64/96/967166496.db2.gz XJPGFUWPIHGQSO-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@](C)([NH3+])C3)c21 ZINC001204784003 967166584 /nfs/dbraw/zinc/16/65/84/967166584.db2.gz XJPGFUWPIHGQSO-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@](C)([NH3+])C3)c21 ZINC001204784003 967166594 /nfs/dbraw/zinc/16/65/94/967166594.db2.gz XJPGFUWPIHGQSO-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2nccc3ccccc32)C1 ZINC001204790062 967170504 /nfs/dbraw/zinc/17/05/04/967170504.db2.gz GLMFCCQXHJEYKU-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001204790062 967170511 /nfs/dbraw/zinc/17/05/11/967170511.db2.gz GLMFCCQXHJEYKU-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3ncsc32)C1 ZINC001204790510 967170565 /nfs/dbraw/zinc/17/05/65/967170565.db2.gz KIVHCOZEAXVBTA-ZDUSSCGKSA-N 2 2 247.367 2.219 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001204790510 967170567 /nfs/dbraw/zinc/17/05/67/967170567.db2.gz KIVHCOZEAXVBTA-ZDUSSCGKSA-N 2 2 247.367 2.219 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccnc2Cl)CC1 ZINC001205102910 967348033 /nfs/dbraw/zinc/34/80/33/967348033.db2.gz WFMFNCNVCSKMHJ-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)sc1C ZINC001205110512 967357211 /nfs/dbraw/zinc/35/72/11/967357211.db2.gz UPIMOFCBEVHNTL-LLVKDONJSA-N 2 2 239.388 2.073 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@@H]([NH3+])CC2)sc1C ZINC001205110512 967357218 /nfs/dbraw/zinc/35/72/18/967357218.db2.gz UPIMOFCBEVHNTL-LLVKDONJSA-N 2 2 239.388 2.073 20 0 BEADLP C[NH+](C)CCCc1c[nH+]c(N)cc1C(F)(F)F ZINC001250161343 967453252 /nfs/dbraw/zinc/45/32/52/967453252.db2.gz WYFJGGOXQLEACS-UHFFFAOYSA-N 2 2 247.264 2.177 20 0 BEADLP Cc1cnc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205273250 967467817 /nfs/dbraw/zinc/46/78/17/967467817.db2.gz ITORBUOQVJNVPN-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1cnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)s1 ZINC001205273250 967467825 /nfs/dbraw/zinc/46/78/25/967467825.db2.gz ITORBUOQVJNVPN-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C[C@@H]1C ZINC000084987723 967646472 /nfs/dbraw/zinc/64/64/72/967646472.db2.gz OTBSJTWSEUOORG-AGIUHOORSA-N 2 2 235.375 2.377 20 0 BEADLP C[NH+](C)Cc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316272 967679765 /nfs/dbraw/zinc/67/97/65/967679765.db2.gz GDAQKCAVIWUSGQ-UHFFFAOYSA-N 2 2 229.327 2.187 20 0 BEADLP COc1cc[nH+]cc1Nc1ccc2c[nH+]cn2c1 ZINC001250327408 967711225 /nfs/dbraw/zinc/71/12/25/967711225.db2.gz VNYLBXMLABSXFL-UHFFFAOYSA-N 2 2 240.266 2.482 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(Cl)CC1 ZINC000695655404 967774226 /nfs/dbraw/zinc/77/42/26/967774226.db2.gz MIBVZSDEYFCKMJ-SRVKXCTJSA-N 2 2 242.794 2.363 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1(Cl)CC1 ZINC000695655404 967774242 /nfs/dbraw/zinc/77/42/42/967774242.db2.gz MIBVZSDEYFCKMJ-SRVKXCTJSA-N 2 2 242.794 2.363 20 0 BEADLP Cc1cc(O)cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205838133 967849196 /nfs/dbraw/zinc/84/91/96/967849196.db2.gz AYYGTSSYUOZTRY-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(O)cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205838133 967849200 /nfs/dbraw/zinc/84/92/00/967849200.db2.gz AYYGTSSYUOZTRY-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205872870 967869386 /nfs/dbraw/zinc/86/93/86/967869386.db2.gz RKJHFKURANVTEO-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205872870 967869389 /nfs/dbraw/zinc/86/93/89/967869389.db2.gz RKJHFKURANVTEO-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075394 968044166 /nfs/dbraw/zinc/04/41/66/968044166.db2.gz KAZFVHWFSNRFOA-BXUZGUMPSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075394 968044175 /nfs/dbraw/zinc/04/41/75/968044175.db2.gz KAZFVHWFSNRFOA-BXUZGUMPSA-N 2 2 236.334 2.222 20 0 BEADLP CCOc1cc[nH+]cc1Nc1cc[nH+]c(N)c1 ZINC001206529313 968361160 /nfs/dbraw/zinc/36/11/60/968361160.db2.gz VMIGGLWEIQWBAH-UHFFFAOYSA-N 2 2 230.271 2.201 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCC(F)F)C[N@@H+]1C1CC1 ZINC001119540983 968410272 /nfs/dbraw/zinc/41/02/72/968410272.db2.gz MTPLWZAGARGVQU-ZJUUUORDSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCC(F)F)C[N@H+]1C1CC1 ZINC001119540983 968410281 /nfs/dbraw/zinc/41/02/81/968410281.db2.gz MTPLWZAGARGVQU-ZJUUUORDSA-N 2 2 232.318 2.247 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCCC23CC3)n1C ZINC001206795121 968476630 /nfs/dbraw/zinc/47/66/30/968476630.db2.gz NIENELCUFUXFJP-UHFFFAOYSA-N 2 2 219.332 2.247 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCCC23CC3)n1C ZINC001206795121 968476633 /nfs/dbraw/zinc/47/66/33/968476633.db2.gz NIENELCUFUXFJP-UHFFFAOYSA-N 2 2 219.332 2.247 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC3(CC3)CC2)n1C ZINC001206793534 968477111 /nfs/dbraw/zinc/47/71/11/968477111.db2.gz ZYNRBFIFSCGLRN-UHFFFAOYSA-N 2 2 219.332 2.105 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822128247 968506717 /nfs/dbraw/zinc/50/67/17/968506717.db2.gz NUAHMNOZOHSELU-GRYCIOLGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000822128247 968506725 /nfs/dbraw/zinc/50/67/25/968506725.db2.gz NUAHMNOZOHSELU-GRYCIOLGSA-N 2 2 210.365 2.247 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@H](F)C1 ZINC001207274525 968707728 /nfs/dbraw/zinc/70/77/28/968707728.db2.gz DJBRZNULYWBGGI-GFCCVEGCSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@H](F)C1 ZINC001207274525 968707735 /nfs/dbraw/zinc/70/77/35/968707735.db2.gz DJBRZNULYWBGGI-GFCCVEGCSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH+]1CCC(CC[NH+]2CC(F)(C3CC3)C2)CC1 ZINC001207479064 968795500 /nfs/dbraw/zinc/79/55/00/968795500.db2.gz CIKFBGXFXJUABB-UHFFFAOYSA-N 2 2 240.366 2.152 20 0 BEADLP C[NH+]1CCC(C)(C[N@@H+]2CCCC(F)(F)C2)CC1 ZINC001208105729 969000719 /nfs/dbraw/zinc/00/07/19/969000719.db2.gz ZZSKWMATZOIHHS-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP C[NH+]1CCC(C)(C[N@H+]2CCCC(F)(F)C2)CC1 ZINC001208105729 969000728 /nfs/dbraw/zinc/00/07/28/969000728.db2.gz ZZSKWMATZOIHHS-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001208604801 969152129 /nfs/dbraw/zinc/15/21/29/969152129.db2.gz WDCIAHIRYLZYDF-LLVKDONJSA-N 2 2 244.329 2.059 20 0 BEADLP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC001208604801 969152136 /nfs/dbraw/zinc/15/21/36/969152136.db2.gz WDCIAHIRYLZYDF-LLVKDONJSA-N 2 2 244.329 2.059 20 0 BEADLP CC[N@H+](C[C@@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208880131 969272652 /nfs/dbraw/zinc/27/26/52/969272652.db2.gz IVVMIGWXTDOWPJ-AWEZNQCLSA-N 2 2 238.375 2.095 20 0 BEADLP CC[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208880131 969272659 /nfs/dbraw/zinc/27/26/59/969272659.db2.gz IVVMIGWXTDOWPJ-AWEZNQCLSA-N 2 2 238.375 2.095 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](C)C(F)(F)F ZINC001208902380 969290859 /nfs/dbraw/zinc/29/08/59/969290859.db2.gz RIRKPGRJZSMCKC-JTQLQIEISA-N 2 2 249.280 2.403 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](C)C(F)(F)F ZINC001208902380 969290864 /nfs/dbraw/zinc/29/08/64/969290864.db2.gz RIRKPGRJZSMCKC-JTQLQIEISA-N 2 2 249.280 2.403 20 0 BEADLP CSCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000723480973 969318139 /nfs/dbraw/zinc/31/81/39/969318139.db2.gz VMSCAJQELBOVGE-ZDUSSCGKSA-N 2 2 244.448 2.450 20 0 BEADLP CC[N@H+](C[C@@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209420351 969487317 /nfs/dbraw/zinc/48/73/17/969487317.db2.gz HZEPLFAFZFLKPQ-NEPJUHHUSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@@H+](C[C@@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209420351 969487322 /nfs/dbraw/zinc/48/73/22/969487322.db2.gz HZEPLFAFZFLKPQ-NEPJUHHUSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)[N@@H+](Cc1c[nH+]ccc1N)CC1CC1 ZINC001209729769 969584905 /nfs/dbraw/zinc/58/49/05/969584905.db2.gz AZCPGYXQGLWRPV-UHFFFAOYSA-N 2 2 219.332 2.115 20 0 BEADLP CC(C)[N@H+](Cc1c[nH+]ccc1N)CC1CC1 ZINC001209729769 969584911 /nfs/dbraw/zinc/58/49/11/969584911.db2.gz AZCPGYXQGLWRPV-UHFFFAOYSA-N 2 2 219.332 2.115 20 0 BEADLP Nc1cc[nH+]cc1C[N@@H+]1CCc2ccsc2C1 ZINC001209734499 969597614 /nfs/dbraw/zinc/59/76/14/969597614.db2.gz RRGWQJDAOKGTAY-UHFFFAOYSA-N 2 2 245.351 2.114 20 0 BEADLP Nc1cc[nH+]cc1C[N@H+]1CCc2ccsc2C1 ZINC001209734499 969597618 /nfs/dbraw/zinc/59/76/18/969597618.db2.gz RRGWQJDAOKGTAY-UHFFFAOYSA-N 2 2 245.351 2.114 20 0 BEADLP Cc1[nH+]cc(Nc2ccc3[nH]c[nH+]c3c2)n1C ZINC001209849157 969664614 /nfs/dbraw/zinc/66/46/14/969664614.db2.gz UYJIFIYJTNBNAZ-UHFFFAOYSA-N 2 2 227.271 2.348 20 0 BEADLP CC(C)Oc1cc(NCC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC001169564767 969763760 /nfs/dbraw/zinc/76/37/60/969763760.db2.gz SDHPAXOPVRGNIF-GFCCVEGCSA-N 2 2 249.358 2.423 20 0 BEADLP C1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254829246 969793893 /nfs/dbraw/zinc/79/38/93/969793893.db2.gz BNXSWXBQQXYSAY-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833134 969795910 /nfs/dbraw/zinc/79/59/10/969795910.db2.gz NQIOBNIEHITEEG-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CC1 ZINC001254833832 969796454 /nfs/dbraw/zinc/79/64/54/969796454.db2.gz SDRQDWHKFAGOMX-CYBMUJFWSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254832974 969797346 /nfs/dbraw/zinc/79/73/46/969797346.db2.gz TXXDDLNEGLETMY-ZDUSSCGKSA-N 2 2 210.365 2.106 20 0 BEADLP CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254835088 969800076 /nfs/dbraw/zinc/80/00/76/969800076.db2.gz DTAAPXRUYSTNQW-LBPRGKRZSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCC1 ZINC001254850513 969805616 /nfs/dbraw/zinc/80/56/16/969805616.db2.gz GXWTVDCMDUJRDR-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP C1[NH+]([C@@H]2CC3CC[NH+](CC3)C2)CC12CCCC2 ZINC001254855280 969807447 /nfs/dbraw/zinc/80/74/47/969807447.db2.gz MJLWFZJYFWJJSV-CQSZACIVSA-N 2 2 234.387 2.347 20 0 BEADLP CCCCc1nc(-n2ccc(C[NH3+])c2)cc(C)[nH+]1 ZINC001169723039 969835044 /nfs/dbraw/zinc/83/50/44/969835044.db2.gz KBRLHMUNCJAGMG-UHFFFAOYSA-N 2 2 244.342 2.377 20 0 BEADLP C[N@H+](C1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC001255019393 969848159 /nfs/dbraw/zinc/84/81/59/969848159.db2.gz IRKJMMLJTYDHQY-UHFFFAOYSA-N 2 2 244.382 2.180 20 0 BEADLP C[N@@H+](C1Cc2ccccc2C1)C1CC[NH+](C)CC1 ZINC001255019393 969848161 /nfs/dbraw/zinc/84/81/61/969848161.db2.gz IRKJMMLJTYDHQY-UHFFFAOYSA-N 2 2 244.382 2.180 20 0 BEADLP Cc1[nH+]cc(Nc2cc[nH+]c(N(C)C)c2)cc1N ZINC001210287529 969854773 /nfs/dbraw/zinc/85/47/73/969854773.db2.gz WOCPDDNIBYJDJW-UHFFFAOYSA-N 2 2 243.314 2.177 20 0 BEADLP CC/C=C\CCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001210400862 969883206 /nfs/dbraw/zinc/88/32/06/969883206.db2.gz VBKFKKRGLCOPAG-NQHOJNORSA-N 2 2 240.391 2.173 20 0 BEADLP CC/C=C\CCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001210400862 969883207 /nfs/dbraw/zinc/88/32/07/969883207.db2.gz VBKFKKRGLCOPAG-NQHOJNORSA-N 2 2 240.391 2.173 20 0 BEADLP C[C@@H](CC[N@@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001210398209 969884152 /nfs/dbraw/zinc/88/41/52/969884152.db2.gz BHKPTUIOEQVTGT-STQMWFEESA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H](CC[N@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001210398209 969884156 /nfs/dbraw/zinc/88/41/56/969884156.db2.gz BHKPTUIOEQVTGT-STQMWFEESA-N 2 2 242.407 2.108 20 0 BEADLP c1cn2cc(C[NH2+]C3CCSCC3)ccc2[nH+]1 ZINC001255087727 969921401 /nfs/dbraw/zinc/92/14/01/969921401.db2.gz HBAVCAALBNGUOF-UHFFFAOYSA-N 2 2 247.367 2.320 20 0 BEADLP C[NH2+]CC1C[NH+](Cc2cccc(C(C)C)c2)C1 ZINC001210561530 969941715 /nfs/dbraw/zinc/94/17/15/969941715.db2.gz OSWWXCDXYQXPLR-UHFFFAOYSA-N 2 2 232.371 2.461 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001170117152 970340766 /nfs/dbraw/zinc/34/07/66/970340766.db2.gz JFVZTDGQJHNWCQ-YUTCNCBUSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001170117152 970340779 /nfs/dbraw/zinc/34/07/79/970340779.db2.gz JFVZTDGQJHNWCQ-YUTCNCBUSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001255774130 970480581 /nfs/dbraw/zinc/48/05/81/970480581.db2.gz WRSCBZWPOVJKAL-ZIAGYGMSSA-N 2 2 234.387 2.466 20 0 BEADLP C[N@H+](Cc1ccncc1)C1CC[NH+](C2CC2)CC1 ZINC001256073214 970641386 /nfs/dbraw/zinc/64/13/86/970641386.db2.gz OWBVCCNRUZNPSM-UHFFFAOYSA-N 2 2 245.370 2.140 20 0 BEADLP C[N@@H+](Cc1ccncc1)C1CC[NH+](C2CC2)CC1 ZINC001256073214 970641393 /nfs/dbraw/zinc/64/13/93/970641393.db2.gz OWBVCCNRUZNPSM-UHFFFAOYSA-N 2 2 245.370 2.140 20 0 BEADLP CC(C)COc1cc(NCC2C[NH+](C)C2)cc[nH+]1 ZINC001170259647 970649546 /nfs/dbraw/zinc/64/95/46/970649546.db2.gz YSTJVXKSYUXAHN-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP C[C@H]1CCCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256207927 970708879 /nfs/dbraw/zinc/70/88/79/970708879.db2.gz RVNGLNWCQFSYFQ-LBPRGKRZSA-N 2 2 210.365 2.345 20 0 BEADLP C[C@H]1CCCCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256207927 970708891 /nfs/dbraw/zinc/70/88/91/970708891.db2.gz RVNGLNWCQFSYFQ-LBPRGKRZSA-N 2 2 210.365 2.345 20 0 BEADLP CCC[N@H+](CC(C)C)C1CC[NH+](C)CC1 ZINC001256210518 970717180 /nfs/dbraw/zinc/71/71/80/970717180.db2.gz JMEHVJKMVDQUQJ-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP CCC[N@@H+](CC(C)C)C1CC[NH+](C)CC1 ZINC001256210518 970717189 /nfs/dbraw/zinc/71/71/89/970717189.db2.gz JMEHVJKMVDQUQJ-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP [NH3+]CC[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222616205 972606167 /nfs/dbraw/zinc/60/61/67/972606167.db2.gz ZSWWZBNFGTXBDT-UHFFFAOYSA-N 2 2 244.382 2.315 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC001327839659 972755000 /nfs/dbraw/zinc/75/50/00/972755000.db2.gz JUDVLQWWBMBNAM-UWVGGRQHSA-N 2 2 241.766 2.241 20 0 BEADLP C[C@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1F ZINC001246590011 972998757 /nfs/dbraw/zinc/99/87/57/972998757.db2.gz RKJNLYAQHXXRJT-RSMQCKGYSA-N 2 2 244.329 2.041 20 0 BEADLP C[C@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1F ZINC001246590011 972998768 /nfs/dbraw/zinc/99/87/68/972998768.db2.gz RKJNLYAQHXXRJT-RSMQCKGYSA-N 2 2 244.329 2.041 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C(F)F)C2)C[NH2+]1 ZINC001246805818 973108595 /nfs/dbraw/zinc/10/85/95/973108595.db2.gz DVQGIMDSSFJMQO-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C(F)F)C2)C[NH2+]1 ZINC001246805818 973108610 /nfs/dbraw/zinc/10/86/10/973108610.db2.gz DVQGIMDSSFJMQO-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246922732 973510937 /nfs/dbraw/zinc/51/09/37/973510937.db2.gz WSDWMABAHSMYNU-JSGCOSHPSA-N 2 2 234.387 2.393 20 0 BEADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246922732 973510951 /nfs/dbraw/zinc/51/09/51/973510951.db2.gz WSDWMABAHSMYNU-JSGCOSHPSA-N 2 2 234.387 2.393 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498233 1169962130 /nfs/dbraw/zinc/96/21/30/1169962130.db2.gz LOEWBDFLIACJEK-DHMWGJHJSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498233 1169962135 /nfs/dbraw/zinc/96/21/35/1169962135.db2.gz LOEWBDFLIACJEK-DHMWGJHJSA-N 2 2 236.403 2.495 20 0 BEADLP CCCCC[C@@H](C)[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246926276 973551505 /nfs/dbraw/zinc/55/15/05/973551505.db2.gz CJSGMODFXMCPSY-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@@H](C)[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246926276 973551518 /nfs/dbraw/zinc/55/15/18/973551518.db2.gz CJSGMODFXMCPSY-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@H](C)[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246926278 973553406 /nfs/dbraw/zinc/55/34/06/973553406.db2.gz CJSGMODFXMCPSY-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@H](C)[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246926278 973553417 /nfs/dbraw/zinc/55/34/17/973553417.db2.gz CJSGMODFXMCPSY-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cc(NC[C@H]2CCCC[NH2+]2)c[nH+]c1C ZINC001171333515 973856642 /nfs/dbraw/zinc/85/66/42/973856642.db2.gz FKKQIYBVODWSFM-GFCCVEGCSA-N 2 2 219.332 2.252 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171401386 974007535 /nfs/dbraw/zinc/00/75/35/974007535.db2.gz LZWJDYCJZIRPEL-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171401386 974007551 /nfs/dbraw/zinc/00/75/51/974007551.db2.gz LZWJDYCJZIRPEL-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP COC1(C[NH2+]CCCNc2cccc[nH+]2)CCC1 ZINC001330625706 974372079 /nfs/dbraw/zinc/37/20/79/974372079.db2.gz RFQGGSCFJUGJAN-UHFFFAOYSA-N 2 2 249.358 2.042 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172315224 974522551 /nfs/dbraw/zinc/52/25/51/974522551.db2.gz GJIHGYJOLJOBCP-IHRRRGAJSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172315224 974522558 /nfs/dbraw/zinc/52/25/58/974522558.db2.gz GJIHGYJOLJOBCP-IHRRRGAJSA-N 2 2 242.407 2.264 20 0 BEADLP CC1(C)C[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CO1 ZINC001172288968 974555998 /nfs/dbraw/zinc/55/59/98/974555998.db2.gz PFDVEQDUBSWYGK-RYUDHWBXSA-N 2 2 249.358 2.090 20 0 BEADLP CCOCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172415857 974685612 /nfs/dbraw/zinc/68/56/12/974685612.db2.gz IKKWRIDPQBPIFQ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](CC(C)C)[NH2+][C@H](C)C[NH+](C)C ZINC001172386393 974731043 /nfs/dbraw/zinc/73/10/43/974731043.db2.gz OYMNXRYSPZIYBW-VXGBXAGGSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+][C@H](C)C[NH+](C)C ZINC001172386390 974731564 /nfs/dbraw/zinc/73/15/64/974731564.db2.gz OYMNXRYSPZIYBW-NEPJUHHUSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644504 974893658 /nfs/dbraw/zinc/89/36/58/974893658.db2.gz QYTDRQCNCMIFQR-LLVKDONJSA-N 2 2 242.407 2.262 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172914852 974961991 /nfs/dbraw/zinc/96/19/91/974961991.db2.gz KWTZCSMTJDTAOI-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172914852 974961992 /nfs/dbraw/zinc/96/19/92/974961992.db2.gz KWTZCSMTJDTAOI-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH]c2ccc(O[C@@H](C)C[NH+](C)C)cc2[nH+]1 ZINC001228327196 976122200 /nfs/dbraw/zinc/12/22/00/976122200.db2.gz PBEIFJKDJJKQCO-VIFPVBQESA-N 2 2 233.315 2.200 20 0 BEADLP Cc1[nH]c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c(C)[nH+]1 ZINC001334766347 976632466 /nfs/dbraw/zinc/63/24/66/976632466.db2.gz IJNPZRAUMOKOOO-ZIAGYGMSSA-N 2 2 249.358 2.074 20 0 BEADLP Cc1[nH+]cn(-c2ccc([NH+]3CCCC3)cc2)c1N ZINC001174526406 976807829 /nfs/dbraw/zinc/80/78/29/976807829.db2.gz MLXBMOQKCVZNKP-UHFFFAOYSA-N 2 2 242.326 2.363 20 0 BEADLP Cc1c[nH+]ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001174536261 976815794 /nfs/dbraw/zinc/81/57/94/976815794.db2.gz QOQYMUGBTPKQKN-UHFFFAOYSA-N 2 2 228.299 2.017 20 0 BEADLP Cc1cc(-n2c[nH+]c3cccc(N)c32)cc[nH+]1 ZINC001174655365 976947668 /nfs/dbraw/zinc/94/76/68/976947668.db2.gz CTZGTOQYXVFWCG-UHFFFAOYSA-N 2 2 224.267 2.311 20 0 BEADLP CC[NH+]1CCC(Nc2cc(F)cc(C)[nH+]2)CC1 ZINC001336453510 977696553 /nfs/dbraw/zinc/69/65/53/977696553.db2.gz OLLNGGYWTVSHNA-UHFFFAOYSA-N 2 2 237.322 2.425 20 0 BEADLP CCc1ccc(N2CC[C@H](C[N@@H+](C)CC)C2)[nH+]c1 ZINC001336544173 977763554 /nfs/dbraw/zinc/76/35/54/977763554.db2.gz PDXLVBJSNMSTGD-CQSZACIVSA-N 2 2 247.386 2.422 20 0 BEADLP CCc1ccc(N2CC[C@H](C[N@H+](C)CC)C2)[nH+]c1 ZINC001336544173 977763564 /nfs/dbraw/zinc/76/35/64/977763564.db2.gz PDXLVBJSNMSTGD-CQSZACIVSA-N 2 2 247.386 2.422 20 0 BEADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(C)n1 ZINC001231994542 977827177 /nfs/dbraw/zinc/82/71/77/977827177.db2.gz AONNOGATHNWICC-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(C)n1 ZINC001231994542 977827182 /nfs/dbraw/zinc/82/71/82/977827182.db2.gz AONNOGATHNWICC-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CC(F)C3)CC2)c[nH+]1 ZINC001232459313 978090387 /nfs/dbraw/zinc/09/03/87/978090387.db2.gz CAGSAHAMAUOUSS-UHFFFAOYSA-N 2 2 237.322 2.432 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC001232461255 978099495 /nfs/dbraw/zinc/09/94/95/978099495.db2.gz ZBWVADKGVGDFEH-RYUDHWBXSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC001232461255 978099509 /nfs/dbraw/zinc/09/95/09/978099509.db2.gz ZBWVADKGVGDFEH-RYUDHWBXSA-N 2 2 219.332 2.340 20 0 BEADLP CNc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC001232666780 978216594 /nfs/dbraw/zinc/21/65/94/978216594.db2.gz NEXIEGFEQKOLSQ-UHFFFAOYSA-N 2 2 235.375 2.112 20 0 BEADLP CNc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC001232666780 978216598 /nfs/dbraw/zinc/21/65/98/978216598.db2.gz NEXIEGFEQKOLSQ-UHFFFAOYSA-N 2 2 235.375 2.112 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC001233006994 978398174 /nfs/dbraw/zinc/39/81/74/978398174.db2.gz GELDETDNEWMUJG-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC001233006994 978398183 /nfs/dbraw/zinc/39/81/83/978398183.db2.gz GELDETDNEWMUJG-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C)cc1C ZINC001233011250 978415695 /nfs/dbraw/zinc/41/56/95/978415695.db2.gz GAMAFWVCJWELTJ-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)cc1C ZINC001233011250 978415705 /nfs/dbraw/zinc/41/57/05/978415705.db2.gz GAMAFWVCJWELTJ-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1O ZINC001233230629 978503896 /nfs/dbraw/zinc/50/38/96/978503896.db2.gz JXOKXEBITCLJRU-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1O ZINC001233230629 978503901 /nfs/dbraw/zinc/50/39/01/978503901.db2.gz JXOKXEBITCLJRU-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP CC[N@H+](Cc1ccoc1)C1CC[NH+](C)CC1 ZINC001204243142 978698206 /nfs/dbraw/zinc/69/82/06/978698206.db2.gz MHPYUHGVYHAOFE-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP CC[N@@H+](Cc1ccoc1)C1CC[NH+](C)CC1 ZINC001204243142 978698216 /nfs/dbraw/zinc/69/82/16/978698216.db2.gz MHPYUHGVYHAOFE-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235074987 978969221 /nfs/dbraw/zinc/96/92/21/978969221.db2.gz HHVWMRMTHGYVSJ-HUUCEWRRSA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235074987 978969226 /nfs/dbraw/zinc/96/92/26/978969226.db2.gz HHVWMRMTHGYVSJ-HUUCEWRRSA-N 2 2 230.355 2.055 20 0 BEADLP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235148809 978980516 /nfs/dbraw/zinc/98/05/16/978980516.db2.gz ZSSKHKVOGFDNIW-HOTGVXAUSA-N 2 2 244.382 2.418 20 0 BEADLP CC(C)Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235148809 978980522 /nfs/dbraw/zinc/98/05/22/978980522.db2.gz ZSSKHKVOGFDNIW-HOTGVXAUSA-N 2 2 244.382 2.418 20 0 BEADLP Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC001235689902 979116230 /nfs/dbraw/zinc/11/62/30/979116230.db2.gz DQRMDDFUXBUBDF-KBPBESRZSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC001235689902 979116236 /nfs/dbraw/zinc/11/62/36/979116236.db2.gz DQRMDDFUXBUBDF-KBPBESRZSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC001235689905 979117037 /nfs/dbraw/zinc/11/70/37/979117037.db2.gz DQRMDDFUXBUBDF-KGLIPLIRSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1O[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC001235689905 979117042 /nfs/dbraw/zinc/11/70/42/979117042.db2.gz DQRMDDFUXBUBDF-KGLIPLIRSA-N 2 2 248.370 2.185 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCc1ccccc1Cl ZINC001235839124 979166830 /nfs/dbraw/zinc/16/68/30/979166830.db2.gz KGVGINSFDTURQF-JTQLQIEISA-N 2 2 226.751 2.162 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccccc1Cl ZINC001235839124 979166841 /nfs/dbraw/zinc/16/68/41/979166841.db2.gz KGVGINSFDTURQF-JTQLQIEISA-N 2 2 226.751 2.162 20 0 BEADLP COc1ccccc1C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC001235906749 979198689 /nfs/dbraw/zinc/19/86/89/979198689.db2.gz SKTIFDYLZUAZJN-LBPRGKRZSA-N 2 2 248.370 2.222 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991084 979282226 /nfs/dbraw/zinc/28/22/26/979282226.db2.gz OAGGDQMQWRPWKD-DOMZBBRYSA-N 2 2 248.345 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235991084 979282236 /nfs/dbraw/zinc/28/22/36/979282236.db2.gz OAGGDQMQWRPWKD-DOMZBBRYSA-N 2 2 248.345 2.366 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc3occc31)C2 ZINC001235994159 979283611 /nfs/dbraw/zinc/28/36/11/979283611.db2.gz SLNOHQYPMOEJLE-DOMZBBRYSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc3occc31)C2 ZINC001235994159 979283633 /nfs/dbraw/zinc/28/36/33/979283633.db2.gz SLNOHQYPMOEJLE-DOMZBBRYSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1cccc3c1CCCC3)C2 ZINC001236028507 979325569 /nfs/dbraw/zinc/32/55/69/979325569.db2.gz MRMDLLZUNKPDBQ-GDBMZVCRSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001236028507 979325583 /nfs/dbraw/zinc/32/55/83/979325583.db2.gz MRMDLLZUNKPDBQ-GDBMZVCRSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1cccc3sccc31)C2 ZINC001236031602 979328328 /nfs/dbraw/zinc/32/83/28/979328328.db2.gz XQLCFCOTGQZCFH-BXUZGUMPSA-N 2 2 244.363 2.434 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1cccc3sccc31)C2 ZINC001236031602 979328341 /nfs/dbraw/zinc/32/83/41/979328341.db2.gz XQLCFCOTGQZCFH-BXUZGUMPSA-N 2 2 244.363 2.434 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236173338 979432413 /nfs/dbraw/zinc/43/24/13/979432413.db2.gz JLLDPRCCNWCQFB-CYBMUJFWSA-N 2 2 218.344 2.090 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236173338 979432419 /nfs/dbraw/zinc/43/24/19/979432419.db2.gz JLLDPRCCNWCQFB-CYBMUJFWSA-N 2 2 218.344 2.090 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001236240827 979461720 /nfs/dbraw/zinc/46/17/20/979461720.db2.gz MWVVJWQFELCTKZ-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP Cc1c2ccccc2[nH]c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236246401 979465902 /nfs/dbraw/zinc/46/59/02/979465902.db2.gz ZJIJMUABXBUIEX-GFCCVEGCSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236246401 979465905 /nfs/dbraw/zinc/46/59/05/979465905.db2.gz ZJIJMUABXBUIEX-GFCCVEGCSA-N 2 2 243.354 2.399 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)cc1C ZINC001236867824 979769751 /nfs/dbraw/zinc/76/97/51/979769751.db2.gz BVEWGGMGFZVVPI-ZDUSSCGKSA-N 2 2 224.323 2.303 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)cc1C ZINC001236867824 979769757 /nfs/dbraw/zinc/76/97/57/979769757.db2.gz BVEWGGMGFZVVPI-ZDUSSCGKSA-N 2 2 224.323 2.303 20 0 BEADLP CO[C@@H]1C[N@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]1[NH3+] ZINC001237101875 979814925 /nfs/dbraw/zinc/81/49/25/979814925.db2.gz MNJKMVJNLWKWBZ-MELADBBJSA-N 2 2 240.391 2.027 20 0 BEADLP CO[C@@H]1C[N@@H+](C[C@@H](C)CCC=C(C)C)C[C@@H]1[NH3+] ZINC001237101875 979814929 /nfs/dbraw/zinc/81/49/29/979814929.db2.gz MNJKMVJNLWKWBZ-MELADBBJSA-N 2 2 240.391 2.027 20 0 BEADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156096164 980631976 /nfs/dbraw/zinc/63/19/76/980631976.db2.gz PLGSIMVYMBZANR-UONOGXRCSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156096164 980631980 /nfs/dbraw/zinc/63/19/80/980631980.db2.gz PLGSIMVYMBZANR-UONOGXRCSA-N 2 2 245.370 2.106 20 0 BEADLP c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc2c1CCC2 ZINC001347206084 981009982 /nfs/dbraw/zinc/00/99/82/981009982.db2.gz BEHNEXSQUPNNJC-UHFFFAOYSA-N 2 2 242.366 2.017 20 0 BEADLP Cc1cc(F)cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC001347906495 981212777 /nfs/dbraw/zinc/21/27/77/981212777.db2.gz OPVBBJDGZRCIAR-NSHDSACASA-N 2 2 249.333 2.425 20 0 BEADLP Cc1cc(F)cc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC001347906495 981212785 /nfs/dbraw/zinc/21/27/85/981212785.db2.gz OPVBBJDGZRCIAR-NSHDSACASA-N 2 2 249.333 2.425 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC001348851623 981460613 /nfs/dbraw/zinc/46/06/13/981460613.db2.gz DQHIGRSFLOIZIY-UWVGGRQHSA-N 2 2 224.373 2.406 20 0 BEADLP CC(C)c1nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC001349319277 981532359 /nfs/dbraw/zinc/53/23/59/981532359.db2.gz NAFPXRXHROBBHK-ZJUUUORDSA-N 2 2 241.404 2.482 20 0 BEADLP c1cc(N2CCCCC2)cc(C2=CCC[NH2+]C2)[nH+]1 ZINC001240652864 981564742 /nfs/dbraw/zinc/56/47/42/981564742.db2.gz GASFTLOCGROAMY-UHFFFAOYSA-N 2 2 243.354 2.449 20 0 BEADLP Cc1cc(C2=CCC[NH2+]C2)c2[nH+]ccn2c1 ZINC001240664594 981574077 /nfs/dbraw/zinc/57/40/77/981574077.db2.gz LVMMAHGQVXJQNO-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP c1cc2c(cccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[nH]1 ZINC001580888241 981720066 /nfs/dbraw/zinc/72/00/66/981720066.db2.gz VAVFNDSLHZQIGR-BYCMXARLSA-N 2 2 241.338 2.150 20 0 BEADLP CC1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001350959453 982137750 /nfs/dbraw/zinc/13/77/50/982137750.db2.gz ZGJGMFGWUCYMHZ-NEPJUHHUSA-N 2 2 208.349 2.145 20 0 BEADLP CC1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001350959453 982137761 /nfs/dbraw/zinc/13/77/61/982137761.db2.gz ZGJGMFGWUCYMHZ-NEPJUHHUSA-N 2 2 208.349 2.145 20 0 BEADLP [NH3+]C[C@H]1C[N@H+](Cc2ccsc2)CCC1(F)F ZINC001205760507 982397892 /nfs/dbraw/zinc/39/78/92/982397892.db2.gz AKHAYNRXMVKEND-JTQLQIEISA-N 2 2 246.326 2.164 20 0 BEADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccsc2)CCC1(F)F ZINC001205760507 982397898 /nfs/dbraw/zinc/39/78/98/982397898.db2.gz AKHAYNRXMVKEND-JTQLQIEISA-N 2 2 246.326 2.164 20 0 BEADLP c1nscc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001200901021 983120723 /nfs/dbraw/zinc/12/07/23/983120723.db2.gz FANLEIPMWWDZAS-UHFFFAOYSA-N 2 2 248.355 2.130 20 0 BEADLP Nc1ccc(Nc2ccc3[nH+]ccn3c2)c[nH+]1 ZINC001201275317 983177048 /nfs/dbraw/zinc/17/70/48/983177048.db2.gz ABRUFCHXQRCSJT-UHFFFAOYSA-N 2 2 225.255 2.055 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001354222012 983203061 /nfs/dbraw/zinc/20/30/61/983203061.db2.gz WLXKRTVGBLSDPK-BLLLJJGKSA-N 2 2 244.382 2.405 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201408667 983206302 /nfs/dbraw/zinc/20/63/02/983206302.db2.gz IFVCLRYYNUDEHI-CYBMUJFWSA-N 2 2 231.343 2.363 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001201408667 983206308 /nfs/dbraw/zinc/20/63/08/983206308.db2.gz IFVCLRYYNUDEHI-CYBMUJFWSA-N 2 2 231.343 2.363 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001201482149 983286348 /nfs/dbraw/zinc/28/63/48/983286348.db2.gz GTDFPZFTSSXQHJ-CYBMUJFWSA-N 2 2 234.343 2.499 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001201482149 983286354 /nfs/dbraw/zinc/28/63/54/983286354.db2.gz GTDFPZFTSSXQHJ-CYBMUJFWSA-N 2 2 234.343 2.499 20 0 BEADLP CCC[C@@H](C)C[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201540988 983296892 /nfs/dbraw/zinc/29/68/92/983296892.db2.gz AXKGMLITZIWNNK-LLVKDONJSA-N 2 2 221.348 2.443 20 0 BEADLP CCC[C@@H](C)C[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201540988 983296894 /nfs/dbraw/zinc/29/68/94/983296894.db2.gz AXKGMLITZIWNNK-LLVKDONJSA-N 2 2 221.348 2.443 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](CCc1ccccc1)C2 ZINC001201596969 983325882 /nfs/dbraw/zinc/32/58/82/983325882.db2.gz PFKQWJOUJIGPEH-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](CCc1ccccc1)C2 ZINC001201596969 983325891 /nfs/dbraw/zinc/32/58/91/983325891.db2.gz PFKQWJOUJIGPEH-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201590359 983355268 /nfs/dbraw/zinc/35/52/68/983355268.db2.gz WRKJDGDBYRXKDW-UHFFFAOYSA-N 2 2 210.365 2.345 20 0 BEADLP CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201590359 983355277 /nfs/dbraw/zinc/35/52/77/983355277.db2.gz WRKJDGDBYRXKDW-UHFFFAOYSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001201737457 983446106 /nfs/dbraw/zinc/44/61/06/983446106.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001201737457 983446107 /nfs/dbraw/zinc/44/61/07/983446107.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001201737457 983446108 /nfs/dbraw/zinc/44/61/08/983446108.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001201737457 983446110 /nfs/dbraw/zinc/44/61/10/983446110.db2.gz NYSFALRNAMBHHF-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP C/C(=C\C=C\[NH3+])c1ccc2c(c1)C[NH2+]C2 ZINC001242676459 984043648 /nfs/dbraw/zinc/04/36/48/984043648.db2.gz VEVVRQIVOXXJAV-ZRSOPRJESA-N 2 2 200.285 2.166 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001576489330 984168459 /nfs/dbraw/zinc/16/84/59/984168459.db2.gz MSFYFAJUWWIYJB-CQSZACIVSA-N 2 2 243.354 2.398 20 0 BEADLP [NH3+]CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(F)F ZINC001580284802 984495718 /nfs/dbraw/zinc/49/57/18/984495718.db2.gz SMFLTJZINMOLHL-VLEAKVRGSA-N 2 2 232.318 2.137 20 0 BEADLP Cc1ccc(-c2c[nH+]cn2C)c(C[NH+](C)C)c1 ZINC001243070899 984498481 /nfs/dbraw/zinc/49/84/81/984498481.db2.gz AZHXGZDUBHDSTJ-UHFFFAOYSA-N 2 2 229.327 2.457 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(C2=CC[NH2+]C2)c1 ZINC001243111961 984580710 /nfs/dbraw/zinc/58/07/10/984580710.db2.gz ZBOCHXAYMKRMMI-UHFFFAOYSA-N 2 2 225.295 2.074 20 0 BEADLP C[NH+](C)Cc1c(F)cc(C2=CC[NH2+]C2)cc1F ZINC001243116554 984585083 /nfs/dbraw/zinc/58/50/83/984585083.db2.gz UYZNUJFADIITGK-UHFFFAOYSA-N 2 2 238.281 2.013 20 0 BEADLP Nc1[nH+]cccc1-c1cccc2c1CC[C@H]2[NH3+] ZINC001243474233 985021962 /nfs/dbraw/zinc/02/19/62/985021962.db2.gz UUDNIVVDMIASPR-CYBMUJFWSA-N 2 2 225.295 2.277 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258458000 985901272 /nfs/dbraw/zinc/90/12/72/985901272.db2.gz NNRDFTXWCBFNMX-LLVKDONJSA-N 2 2 220.316 2.239 20 0 BEADLP CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC001460997912 985994830 /nfs/dbraw/zinc/99/48/30/985994830.db2.gz WAALCMMTWWFUHB-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001461813093 986171574 /nfs/dbraw/zinc/17/15/74/986171574.db2.gz WQGSWSFKKLPNPI-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001461813093 986171588 /nfs/dbraw/zinc/17/15/88/986171588.db2.gz WQGSWSFKKLPNPI-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H]2C)cc1C ZINC001579696772 986186777 /nfs/dbraw/zinc/18/67/77/986186777.db2.gz DXQRFCCUNZBULQ-OCCSQVGLSA-N 2 2 218.344 2.143 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@]12CCC[C@H]1C[NH2+]C2 ZINC001579708375 986202710 /nfs/dbraw/zinc/20/27/10/986202710.db2.gz PSQLEIVZCQSGFQ-ZFWWWQNUSA-N 2 2 248.345 2.366 20 0 BEADLP CNc1cc(-c2cccc3c2C[NH2+]C3)cc[nH+]1 ZINC001244972966 986555073 /nfs/dbraw/zinc/55/50/73/986555073.db2.gz RBRVKFNXMPNKSH-UHFFFAOYSA-N 2 2 225.295 2.394 20 0 BEADLP CNc1cc(-c2cccc(CC[NH3+])c2)cc[nH+]1 ZINC001244975983 986560790 /nfs/dbraw/zinc/56/07/90/986560790.db2.gz LXDXOCDPVAHODR-UHFFFAOYSA-N 2 2 227.311 2.292 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CC1 ZINC001580229239 986680026 /nfs/dbraw/zinc/68/00/26/986680026.db2.gz KSRRKHSTHHKBMX-HNNXBMFYSA-N 2 2 241.338 2.062 20 0 BEADLP [NH3+][C@H]1C[C@@H](CNc2c[nH+]cc3c2CCCC3)C1 ZINC001580421940 986838483 /nfs/dbraw/zinc/83/84/83/986838483.db2.gz XEMBUTAMTVXOHH-KLPPZKSPSA-N 2 2 231.343 2.110 20 0 BEADLP Cc1cc(-c2cc(C[NH+](C)C)ccn2)c[nH+]c1N ZINC001245538102 986920397 /nfs/dbraw/zinc/92/03/97/986920397.db2.gz OSNNSIYLHMPIQH-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP Cc1[nH+]cn([C@H](C)CC(F)(F)F)c1CC[NH3+] ZINC001255634661 987033599 /nfs/dbraw/zinc/03/35/99/987033599.db2.gz CDVGFGHZBUFKRS-SSDOTTSWSA-N 2 2 235.253 2.206 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)o1 ZINC000693714074 987313743 /nfs/dbraw/zinc/31/37/43/987313743.db2.gz RERRVRPAYVTFPP-HZSPNIEDSA-N 2 2 248.370 2.454 20 0 BEADLP CC1(C)CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246080240 987371158 /nfs/dbraw/zinc/37/11/58/987371158.db2.gz DXLNSCBDKVTRLF-VXGBXAGGSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C[NH2+]1 ZINC001246080786 987376895 /nfs/dbraw/zinc/37/68/95/987376895.db2.gz OVUSHYBYQISNAF-WBMJQRKESA-N 2 2 244.382 2.405 20 0 BEADLP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246085686 987383718 /nfs/dbraw/zinc/38/37/18/987383718.db2.gz AOINVDDQAXGZKU-KBPBESRZSA-N 2 2 242.407 2.169 20 0 BEADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCCCCCC1 ZINC001246086302 987385847 /nfs/dbraw/zinc/38/58/47/987385847.db2.gz KLQJOIRLBVNBKE-STQMWFEESA-N 2 2 228.355 2.389 20 0 BEADLP CCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088806 987388667 /nfs/dbraw/zinc/38/86/67/987388667.db2.gz XPQYRRAGRLDVPF-SRVKXCTJSA-N 2 2 216.344 2.245 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088160 987390661 /nfs/dbraw/zinc/39/06/61/987390661.db2.gz RQAOMDQFSZBOAB-QJPTWQEYSA-N 2 2 216.344 2.245 20 0 BEADLP CC(C)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246088207 987391019 /nfs/dbraw/zinc/39/10/19/987391019.db2.gz SISUQWQBHUJYPA-NWINJMCUSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)C[C@H]1C ZINC001246101588 987423777 /nfs/dbraw/zinc/42/37/77/987423777.db2.gz VSOCZIRTRBZEQW-NAWOPXAZSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106234 987436865 /nfs/dbraw/zinc/43/68/65/987436865.db2.gz OQLPKGABNBPREF-AGIUHOORSA-N 2 2 236.359 2.188 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC(C)(C)C1 ZINC001246111879 987447264 /nfs/dbraw/zinc/44/72/64/987447264.db2.gz OSIJVSYVKMBJDW-LOWDOPEQSA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246114139 987450216 /nfs/dbraw/zinc/45/02/16/987450216.db2.gz USFAFMHNUJZDDW-SRVKXCTJSA-N 2 2 216.344 2.101 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246114544 987453722 /nfs/dbraw/zinc/45/37/22/987453722.db2.gz NHHPMOLMNPNQGL-MGPQQGTHSA-N 2 2 242.407 2.048 20 0 BEADLP CCCCCC[C@H](CC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246121593 987468991 /nfs/dbraw/zinc/46/89/91/987468991.db2.gz LRHGBZCYJSNEGX-RWMBFGLXSA-N 2 2 228.380 2.051 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130793 987481743 /nfs/dbraw/zinc/48/17/43/987481743.db2.gz VJXGHENXXKZWOX-FZMZJTMJSA-N 2 2 236.334 2.098 20 0 BEADLP Cc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246157812 987524406 /nfs/dbraw/zinc/52/44/06/987524406.db2.gz IESLQXGHHRHPBQ-CYBMUJFWSA-N 2 2 238.762 2.490 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116428226 987563664 /nfs/dbraw/zinc/56/36/64/987563664.db2.gz AYUFJLNTFQNEDU-KGLIPLIRSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116428226 987563673 /nfs/dbraw/zinc/56/36/73/987563673.db2.gz AYUFJLNTFQNEDU-KGLIPLIRSA-N 2 2 233.359 2.395 20 0 BEADLP Cc1cc(F)cc(C)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246201627 987598183 /nfs/dbraw/zinc/59/81/83/987598183.db2.gz WFAINFVXMBJIJP-ZDUSSCGKSA-N 2 2 236.334 2.284 20 0 BEADLP c1cc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc2o1 ZINC001246205438 987602944 /nfs/dbraw/zinc/60/29/44/987602944.db2.gz STIZDZBBQKWFIR-CYBMUJFWSA-N 2 2 230.311 2.274 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238267 987637301 /nfs/dbraw/zinc/63/73/01/987637301.db2.gz FLNQMGSPUZWHCX-RDBSUJKOSA-N 2 2 242.407 2.312 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240893 987642032 /nfs/dbraw/zinc/64/20/32/987642032.db2.gz RVRLTQUTKBNYHQ-XUXIUFHCSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282634 987674517 /nfs/dbraw/zinc/67/45/17/987674517.db2.gz TWIRTCFGDDNTAR-AQNFWKISSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282648 987676024 /nfs/dbraw/zinc/67/60/24/987676024.db2.gz TWIRTCFGDDNTAR-QPKOPYBWSA-N 2 2 248.345 2.412 20 0 BEADLP Cc1c(F)ccc(C[NH2+]C2CC[NH2+]CC2)c1F ZINC001246288854 987684241 /nfs/dbraw/zinc/68/42/41/987684241.db2.gz SUKSGIBYADRJFX-UHFFFAOYSA-N 2 2 240.297 2.115 20 0 BEADLP c1cc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2o1 ZINC001246329390 987734143 /nfs/dbraw/zinc/73/41/43/987734143.db2.gz PBZCEMFRSAIRKR-ZDUSSCGKSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ncoc32)C[NH2+]1 ZINC001246332907 987739427 /nfs/dbraw/zinc/73/94/27/987739427.db2.gz OLVIPGVCRRRFHA-CMPLNLGQSA-N 2 2 245.326 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2noc3ccccc23)CC[NH2+]1 ZINC001246335541 987742453 /nfs/dbraw/zinc/74/24/53/987742453.db2.gz RKCDYWJTHPAWKM-MNOVXSKESA-N 2 2 245.326 2.058 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335346 987743086 /nfs/dbraw/zinc/74/30/86/987743086.db2.gz HUDHKPVFOHHOAJ-RWMBFGLXSA-N 2 2 244.448 2.496 20 0 BEADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246345607 987755127 /nfs/dbraw/zinc/75/51/27/987755127.db2.gz AYOJFBUYTDNENF-IUODEOHRSA-N 2 2 246.354 2.024 20 0 BEADLP c1cc2cc(CC[NH2+][C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001246362065 987767267 /nfs/dbraw/zinc/76/72/67/987767267.db2.gz DOTFLLBYKDWBED-CQSZACIVSA-N 2 2 243.354 2.052 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246359711 987768296 /nfs/dbraw/zinc/76/82/96/987768296.db2.gz VJXGHENXXKZWOX-SMDDNHRTSA-N 2 2 236.334 2.098 20 0 BEADLP FC1(F)CCC2(C[C@H]2[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246382410 987777064 /nfs/dbraw/zinc/77/70/64/987777064.db2.gz DCGVKPDZELXGML-WDEREUQCSA-N 2 2 244.329 2.296 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C(C)(C)Cc2ccncc2)C[NH2+]1 ZINC001246408994 987788673 /nfs/dbraw/zinc/78/86/73/987788673.db2.gz UGDSRWFRVFNCCX-OCCSQVGLSA-N 2 2 247.386 2.133 20 0 BEADLP [NH3+]C[C@@H]([NH2+][C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001246505498 987859778 /nfs/dbraw/zinc/85/97/78/987859778.db2.gz COKVQUGMMPRGFI-ZOBORPQBSA-N 2 2 216.328 2.075 20 0 BEADLP CCOCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508243 987861285 /nfs/dbraw/zinc/86/12/85/987861285.db2.gz SJLXYMGDXZOGCX-TZMCWYRMSA-N 2 2 236.359 2.091 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525582 987879343 /nfs/dbraw/zinc/87/93/43/987879343.db2.gz JUMSNOXVPSGFBC-QKCSRTOESA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525582 987879344 /nfs/dbraw/zinc/87/93/44/987879344.db2.gz JUMSNOXVPSGFBC-QKCSRTOESA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525581 987880094 /nfs/dbraw/zinc/88/00/94/987880094.db2.gz JUMSNOXVPSGFBC-OSMZGAPFSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525581 987880096 /nfs/dbraw/zinc/88/00/96/987880096.db2.gz JUMSNOXVPSGFBC-OSMZGAPFSA-N 2 2 249.358 2.260 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246548277 987928704 /nfs/dbraw/zinc/92/87/04/987928704.db2.gz GZBUEVTYTHSJPR-MISXGVKJSA-N 2 2 236.334 2.178 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246548277 987928715 /nfs/dbraw/zinc/92/87/15/987928715.db2.gz GZBUEVTYTHSJPR-MISXGVKJSA-N 2 2 236.334 2.178 20 0 BEADLP CCCC[C@@H](CCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546368 987928839 /nfs/dbraw/zinc/92/88/39/987928839.db2.gz GHHUXCRRRVRWKH-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](CCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546368 987928843 /nfs/dbraw/zinc/92/88/43/987928843.db2.gz GHHUXCRRRVRWKH-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)CCC[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246548241 987933526 /nfs/dbraw/zinc/93/35/26/987933526.db2.gz JSJCAOXQXYLGHW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246548241 987933530 /nfs/dbraw/zinc/93/35/30/987933530.db2.gz JSJCAOXQXYLGHW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP COc1cccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001246548458 987938486 /nfs/dbraw/zinc/93/84/86/987938486.db2.gz ILTCNMGHISOESU-LALPHHSUSA-N 2 2 248.370 2.048 20 0 BEADLP COc1cccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001246548458 987938494 /nfs/dbraw/zinc/93/84/94/987938494.db2.gz ILTCNMGHISOESU-LALPHHSUSA-N 2 2 248.370 2.048 20 0 BEADLP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]1 ZINC001118057289 987990602 /nfs/dbraw/zinc/99/06/02/987990602.db2.gz CGOQPYMDHDSUQR-BLLLJJGKSA-N 2 2 244.382 2.405 20 0 BEADLP CCCCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246562005 987994787 /nfs/dbraw/zinc/99/47/87/987994787.db2.gz XXLCNEUKRUFFFX-BFHYXJOUSA-N 2 2 242.407 2.129 20 0 BEADLP CCCCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246562005 987994800 /nfs/dbraw/zinc/99/48/00/987994800.db2.gz XXLCNEUKRUFFFX-BFHYXJOUSA-N 2 2 242.407 2.129 20 0 BEADLP CCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572696 988064492 /nfs/dbraw/zinc/06/44/92/988064492.db2.gz AVLZSXRILDDCBN-VXGBXAGGSA-N 2 2 216.344 2.328 20 0 BEADLP CCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572696 988064507 /nfs/dbraw/zinc/06/45/07/988064507.db2.gz AVLZSXRILDDCBN-VXGBXAGGSA-N 2 2 216.344 2.328 20 0 BEADLP [NH3+][C@@H]1C[C@@H](F)C[N@@H+](C2CCCCCCC2)C1 ZINC001246574784 988082771 /nfs/dbraw/zinc/08/27/71/988082771.db2.gz BIEWMDXMHIEQCN-VXGBXAGGSA-N 2 2 228.355 2.470 20 0 BEADLP [NH3+][C@@H]1C[C@@H](F)C[N@H+](C2CCCCCCC2)C1 ZINC001246574784 988082786 /nfs/dbraw/zinc/08/27/86/988082786.db2.gz BIEWMDXMHIEQCN-VXGBXAGGSA-N 2 2 228.355 2.470 20 0 BEADLP CC1(C)CCC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H](F)C2)C1 ZINC001246583010 988121336 /nfs/dbraw/zinc/12/13/36/988121336.db2.gz IDKSRDNTZWNTGV-TUAOUCFPSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)CCC[C@H]([N@H+]2C[C@H]([NH3+])C[C@H](F)C2)C1 ZINC001246583010 988121345 /nfs/dbraw/zinc/12/13/45/988121345.db2.gz IDKSRDNTZWNTGV-TUAOUCFPSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)CCC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C1 ZINC001246583011 988124757 /nfs/dbraw/zinc/12/47/57/988124757.db2.gz IDKSRDNTZWNTGV-UTUOFQBUSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)CCC[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C1 ZINC001246583011 988124764 /nfs/dbraw/zinc/12/47/64/988124764.db2.gz IDKSRDNTZWNTGV-UTUOFQBUSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)CCC[C@H]([N@H+]2C[C@H](F)C[C@H]([NH3+])C2)C1 ZINC001246583012 988127588 /nfs/dbraw/zinc/12/75/88/988127588.db2.gz IDKSRDNTZWNTGV-WOPDTQHZSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)CCC[C@H]([N@@H+]2C[C@H](F)C[C@H]([NH3+])C2)C1 ZINC001246583012 988127602 /nfs/dbraw/zinc/12/76/02/988127602.db2.gz IDKSRDNTZWNTGV-WOPDTQHZSA-N 2 2 228.355 2.326 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C[C@H]1C ZINC001246589319 988159428 /nfs/dbraw/zinc/15/94/28/988159428.db2.gz ZNEWKSBJNPATQQ-VEGXAWMVSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C[C@H]1C ZINC001246589319 988159436 /nfs/dbraw/zinc/15/94/36/988159436.db2.gz ZNEWKSBJNPATQQ-VEGXAWMVSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246597822 988197396 /nfs/dbraw/zinc/19/73/96/988197396.db2.gz NLNMNYSKUNPRSW-LLVKDONJSA-N 2 2 236.334 2.037 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660368 988392136 /nfs/dbraw/zinc/39/21/36/988392136.db2.gz SQFTYAYQRIBQLG-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660368 988392146 /nfs/dbraw/zinc/39/21/46/988392146.db2.gz SQFTYAYQRIBQLG-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775772 988456118 /nfs/dbraw/zinc/45/61/18/988456118.db2.gz LDLUTRWJNWSZJP-SNPRPXQTSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775772 988456123 /nfs/dbraw/zinc/45/61/23/988456123.db2.gz LDLUTRWJNWSZJP-SNPRPXQTSA-N 2 2 245.370 2.011 20 0 BEADLP F[C@H]1CCC2(C1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246853609 988571961 /nfs/dbraw/zinc/57/19/61/988571961.db2.gz NCTPRHTVDXHNBP-QWHCGFSZSA-N 2 2 240.366 2.343 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001323767961 988602460 /nfs/dbraw/zinc/60/24/60/988602460.db2.gz LOLFTCXXPTXTNS-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001323767961 988602473 /nfs/dbraw/zinc/60/24/73/988602473.db2.gz LOLFTCXXPTXTNS-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001323767961 988602491 /nfs/dbraw/zinc/60/24/91/988602491.db2.gz LOLFTCXXPTXTNS-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001323767961 988602510 /nfs/dbraw/zinc/60/25/10/988602510.db2.gz LOLFTCXXPTXTNS-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880257 988648676 /nfs/dbraw/zinc/64/86/76/988648676.db2.gz ILURARKZKKOXTQ-NHYWBVRUSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880257 988648679 /nfs/dbraw/zinc/64/86/79/988648679.db2.gz ILURARKZKKOXTQ-NHYWBVRUSA-N 2 2 248.345 2.324 20 0 BEADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246919709 988723441 /nfs/dbraw/zinc/72/34/41/988723441.db2.gz NXKCOEFLWNMDIA-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246919709 988723446 /nfs/dbraw/zinc/72/34/46/988723446.db2.gz NXKCOEFLWNMDIA-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246920626 988726159 /nfs/dbraw/zinc/72/61/59/988726159.db2.gz QDZVVTLBVVZSMD-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246920626 988726180 /nfs/dbraw/zinc/72/61/80/988726180.db2.gz QDZVVTLBVVZSMD-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)(C)C1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246920181 988727556 /nfs/dbraw/zinc/72/75/56/988727556.db2.gz PBCAMAVKPBJXOL-RYSNWHEDSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246920181 988727580 /nfs/dbraw/zinc/72/75/80/988727580.db2.gz PBCAMAVKPBJXOL-RYSNWHEDSA-N 2 2 236.403 2.495 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH2+][C@H]2C1 ZINC001246920460 988727956 /nfs/dbraw/zinc/72/79/56/988727956.db2.gz PKILCQGRLSPQER-OAGGEKHMSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH2+][C@H]2C1 ZINC001246920460 988727966 /nfs/dbraw/zinc/72/79/66/988727966.db2.gz PKILCQGRLSPQER-OAGGEKHMSA-N 2 2 244.382 2.301 20 0 BEADLP COCC[N@H+]([C@@H](C)CCC(C)C)[C@@H]1CC[NH2+]C1 ZINC001246927592 988750381 /nfs/dbraw/zinc/75/03/81/988750381.db2.gz HGUZXYTZAHPOER-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@@H+]([C@@H](C)CCC(C)C)[C@@H]1CC[NH2+]C1 ZINC001246927592 988750389 /nfs/dbraw/zinc/75/03/89/988750389.db2.gz HGUZXYTZAHPOER-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP c1cc(C[NH2+]CCCn2cc[nH+]c2)n(C2CC2)c1 ZINC001324366037 988815382 /nfs/dbraw/zinc/81/53/82/988815382.db2.gz VRAPNWRLDHDNSV-UHFFFAOYSA-N 2 2 244.342 2.199 20 0 BEADLP CCCCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990815 988825590 /nfs/dbraw/zinc/82/55/90/988825590.db2.gz RHSSGTPGGHYZGE-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP CCCCCC[C@H](C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990815 988825593 /nfs/dbraw/zinc/82/55/93/988825593.db2.gz RHSSGTPGGHYZGE-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCC(F)F)C[N@@H+]1C1CC1 ZINC001119540981 989145402 /nfs/dbraw/zinc/14/54/02/989145402.db2.gz MTPLWZAGARGVQU-UWVGGRQHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCC(F)F)C[N@H+]1C1CC1 ZINC001119540981 989145410 /nfs/dbraw/zinc/14/54/10/989145410.db2.gz MTPLWZAGARGVQU-UWVGGRQHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001119540125 989146767 /nfs/dbraw/zinc/14/67/67/989146767.db2.gz FTWBURQZLODQSD-DGCLKSJQSA-N 2 2 246.354 2.370 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001119540126 989147926 /nfs/dbraw/zinc/14/79/26/989147926.db2.gz FTWBURQZLODQSD-WCQYABFASA-N 2 2 246.354 2.370 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(F)ccc1F ZINC001326073899 989363864 /nfs/dbraw/zinc/36/38/64/989363864.db2.gz AXKQFEKTCJQZTH-SECBINFHSA-N 2 2 228.286 2.052 20 0 BEADLP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC001120019634 989568268 /nfs/dbraw/zinc/56/82/68/989568268.db2.gz GBZUPPSQQIOOGL-UHFFFAOYSA-N 2 2 249.314 2.055 20 0 BEADLP Cc1cc(F)cc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001120896119 989951344 /nfs/dbraw/zinc/95/13/44/989951344.db2.gz JNTSAVSRRWKPIL-NSHDSACASA-N 2 2 237.322 2.283 20 0 BEADLP Cc1cc(F)cc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001120896119 989951358 /nfs/dbraw/zinc/95/13/58/989951358.db2.gz JNTSAVSRRWKPIL-NSHDSACASA-N 2 2 237.322 2.283 20 0 BEADLP CC(C)=CCC[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258084596 990982161 /nfs/dbraw/zinc/98/21/61/990982161.db2.gz XDUWDFIBGUXZSS-LBPRGKRZSA-N 2 2 210.365 2.273 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258182141 991082290 /nfs/dbraw/zinc/08/22/90/991082290.db2.gz WOKKSUSIVYXXMH-OLZOCXBDSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258182141 991082304 /nfs/dbraw/zinc/08/23/04/991082304.db2.gz WOKKSUSIVYXXMH-OLZOCXBDSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](Cc1ccco1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258196804 991109895 /nfs/dbraw/zinc/10/98/95/991109895.db2.gz FPPNQAZUUKZPCE-ZDUSSCGKSA-N 2 2 248.370 2.381 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC001308868350 991190876 /nfs/dbraw/zinc/19/08/76/991190876.db2.gz ODRVOEFQBQZDKX-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC001308868350 991190890 /nfs/dbraw/zinc/19/08/90/991190890.db2.gz ODRVOEFQBQZDKX-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC(C)(C)COC)C1 ZINC001308929301 991221910 /nfs/dbraw/zinc/22/19/10/991221910.db2.gz YCWKPMLDPZEDEW-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCC(C)(C)COC)C1 ZINC001308929301 991221915 /nfs/dbraw/zinc/22/19/15/991221915.db2.gz YCWKPMLDPZEDEW-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CCCCC[C@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC001258437652 991376481 /nfs/dbraw/zinc/37/64/81/991376481.db2.gz HWILHPJRRACFEP-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258453928 991403572 /nfs/dbraw/zinc/40/35/72/991403572.db2.gz HAAMQMQEHWTEJM-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258453928 991403579 /nfs/dbraw/zinc/40/35/79/991403579.db2.gz HAAMQMQEHWTEJM-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC001258455261 991406382 /nfs/dbraw/zinc/40/63/82/991406382.db2.gz WQEPJZZPWSYUIE-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC001258455261 991406385 /nfs/dbraw/zinc/40/63/85/991406385.db2.gz WQEPJZZPWSYUIE-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c[nH+]cc1C1CC[NH+](C/C=C/Cl)CC1 ZINC001560233695 991429357 /nfs/dbraw/zinc/42/93/57/991429357.db2.gz IVWJOHJTIBKAPM-GORDUTHDSA-N 2 2 239.750 2.352 20 0 BEADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC1 ZINC001140022481 991490268 /nfs/dbraw/zinc/49/02/68/991490268.db2.gz HHSNHYSEFUPOQN-UHFFFAOYSA-N 2 2 227.311 2.386 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001561043967 991701857 /nfs/dbraw/zinc/70/18/57/991701857.db2.gz OBAZIACCHCTQIY-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001561043967 991701870 /nfs/dbraw/zinc/70/18/70/991701870.db2.gz OBAZIACCHCTQIY-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H]1CCC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258806735 991802298 /nfs/dbraw/zinc/80/22/98/991802298.db2.gz GQNCRGLRICLIHG-MNOVXSKESA-N 2 2 207.321 2.136 20 0 BEADLP Cc1[nH+]cn([C@H]2CCC[C@H](C)C2)c1CC[NH3+] ZINC001258806477 991807027 /nfs/dbraw/zinc/80/70/27/991807027.db2.gz AYLZEQQJSRIIIG-JQWIXIFHSA-N 2 2 221.348 2.444 20 0 BEADLP Cc1[nH+]cn([C@@H]2CCC[C@H](C)C2)c1CC[NH3+] ZINC001258806476 991809059 /nfs/dbraw/zinc/80/90/59/991809059.db2.gz AYLZEQQJSRIIIG-CMPLNLGQSA-N 2 2 221.348 2.444 20 0 BEADLP CC1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001319864649 992012662 /nfs/dbraw/zinc/01/26/62/992012662.db2.gz VPHRPXLGWVOGOT-UHFFFAOYSA-N 2 2 231.343 2.193 20 0 BEADLP C[C@@H](CCSc1ccccc1)[N@H+](C)CC[NH3+] ZINC001575966069 993143460 /nfs/dbraw/zinc/14/34/60/993143460.db2.gz LCIRNHDCMURRBN-LBPRGKRZSA-N 2 2 238.400 2.448 20 0 BEADLP C[C@@H](CCSc1ccccc1)[N@@H+](C)CC[NH3+] ZINC001575966069 993143463 /nfs/dbraw/zinc/14/34/63/993143463.db2.gz LCIRNHDCMURRBN-LBPRGKRZSA-N 2 2 238.400 2.448 20 0 BEADLP CCC1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC000379435525 993244343 /nfs/dbraw/zinc/24/43/43/993244343.db2.gz HAYOBLHLWPXIDD-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH+]1CC(CNc2[nH+]ccc3ccccc32)C1 ZINC000379474752 993248631 /nfs/dbraw/zinc/24/86/31/993248631.db2.gz NWNAKSCVEYJMLA-UHFFFAOYSA-N 2 2 227.311 2.208 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001576489577 993318262 /nfs/dbraw/zinc/31/82/62/993318262.db2.gz QJZHSFQQMVMTKR-CQSZACIVSA-N 2 2 243.354 2.398 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000389444803 993751293 /nfs/dbraw/zinc/75/12/93/993751293.db2.gz OUFBVVNXLNBDQB-HZSPNIEDSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000389444803 993751311 /nfs/dbraw/zinc/75/13/11/993751311.db2.gz OUFBVVNXLNBDQB-HZSPNIEDSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000389487696 993751519 /nfs/dbraw/zinc/75/15/19/993751519.db2.gz YYHCJJAIWZSMQF-BFHYXJOUSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000389487696 993751522 /nfs/dbraw/zinc/75/15/22/993751522.db2.gz YYHCJJAIWZSMQF-BFHYXJOUSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797065 994048559 /nfs/dbraw/zinc/04/85/59/994048559.db2.gz ISVQHVPNDVIGGD-GHMZBOCLSA-N 2 2 232.318 2.248 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797065 994048568 /nfs/dbraw/zinc/04/85/68/994048568.db2.gz ISVQHVPNDVIGGD-GHMZBOCLSA-N 2 2 232.318 2.248 20 0 BEADLP CN(C)c1cc[nH+]cc1CNc1cccc[nH+]1 ZINC001308211937 995599381 /nfs/dbraw/zinc/59/93/81/995599381.db2.gz PFBNSKLTZDCTCT-UHFFFAOYSA-N 2 2 228.299 2.155 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccs1 ZINC001620693626 1170702621 /nfs/dbraw/zinc/70/26/21/1170702621.db2.gz OKXGGKJUCSCLHM-UHFFFAOYSA-N 2 2 247.367 2.499 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570403 1170856483 /nfs/dbraw/zinc/85/64/83/1170856483.db2.gz SYDSHKHFCQSOOU-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570403 1170856494 /nfs/dbraw/zinc/85/64/94/1170856494.db2.gz SYDSHKHFCQSOOU-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP c1ccc2sc(C[NH2+]C3CC[NH2+]CC3)nc2c1 ZINC000038040697 1171008578 /nfs/dbraw/zinc/00/85/78/1171008578.db2.gz VNZVWBFVUFOWDW-UHFFFAOYSA-N 2 2 247.367 2.138 20 0 BEADLP CC(C)(C)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336703630 187320864 /nfs/dbraw/zinc/32/08/64/187320864.db2.gz JWCOTPBNFUVFRW-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)(C)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336703630 187320866 /nfs/dbraw/zinc/32/08/66/187320866.db2.gz JWCOTPBNFUVFRW-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cs1 ZINC000414994245 398137987 /nfs/dbraw/zinc/13/79/87/398137987.db2.gz UQBNGYPJHXJBGX-MRVPVSSYSA-N 2 2 218.753 2.228 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C ZINC000161985440 538919925 /nfs/dbraw/zinc/91/99/25/538919925.db2.gz IHPIREZYIODRBR-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000161985440 538919927 /nfs/dbraw/zinc/91/99/27/538919927.db2.gz IHPIREZYIODRBR-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)CS1 ZINC000336756824 187323165 /nfs/dbraw/zinc/32/31/65/187323165.db2.gz JVBAYIHLBNQRIS-UTUOFQBUSA-N 2 2 230.421 2.056 20 0 BEADLP CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422907588 398157051 /nfs/dbraw/zinc/15/70/51/398157051.db2.gz XDOMMVWIHOKXDE-DOMZBBRYSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000336228291 178035007 /nfs/dbraw/zinc/03/50/07/178035007.db2.gz XRDSREZWCXFABE-LLVKDONJSA-N 2 2 247.367 2.427 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000336228291 178035009 /nfs/dbraw/zinc/03/50/09/178035009.db2.gz XRDSREZWCXFABE-LLVKDONJSA-N 2 2 247.367 2.427 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cscc1Cl ZINC000379664356 398160811 /nfs/dbraw/zinc/16/08/11/398160811.db2.gz URKOPTYCDJRQQP-UHFFFAOYSA-N 2 2 218.753 2.182 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cscc1Cl ZINC000379664356 398160813 /nfs/dbraw/zinc/16/08/13/398160813.db2.gz URKOPTYCDJRQQP-UHFFFAOYSA-N 2 2 218.753 2.182 20 0 BEADLP Cc1ccccc1C1(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415096573 398161367 /nfs/dbraw/zinc/16/13/67/398161367.db2.gz BMKUVXSFHJKGOU-AWEZNQCLSA-N 2 2 244.382 2.368 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000228793024 178066939 /nfs/dbraw/zinc/06/69/39/178066939.db2.gz RAYXGXPAYIHRBE-UHFFFAOYSA-N 2 2 238.762 2.444 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000228793024 178066941 /nfs/dbraw/zinc/06/69/41/178066941.db2.gz RAYXGXPAYIHRBE-UHFFFAOYSA-N 2 2 238.762 2.444 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@H]1CCCC[NH2+]1 ZINC000423174146 398164224 /nfs/dbraw/zinc/16/42/24/398164224.db2.gz BLFNDFKFAGZCCW-FDYHWXHSSA-N 2 2 228.355 2.387 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747141 398190446 /nfs/dbraw/zinc/19/04/46/398190446.db2.gz RURVMIPOHKFHAO-DYEKYZERSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747141 398190450 /nfs/dbraw/zinc/19/04/50/398190450.db2.gz RURVMIPOHKFHAO-DYEKYZERSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000313303348 398193291 /nfs/dbraw/zinc/19/32/91/398193291.db2.gz QGYANTGXPYRDJL-ZDUSSCGKSA-N 2 2 233.359 2.275 20 0 BEADLP Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc[nH+]1 ZINC000301459745 178098429 /nfs/dbraw/zinc/09/84/29/178098429.db2.gz NRUBILNMWYRDGV-ZDUSSCGKSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc[nH+]1 ZINC000301459745 178098431 /nfs/dbraw/zinc/09/84/31/178098431.db2.gz NRUBILNMWYRDGV-ZDUSSCGKSA-N 2 2 248.374 2.096 20 0 BEADLP CO[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000386019417 398194132 /nfs/dbraw/zinc/19/41/32/398194132.db2.gz WTBXCPICGMRBOM-CABCVRRESA-N 2 2 248.370 2.187 20 0 BEADLP CO[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000386019417 398194134 /nfs/dbraw/zinc/19/41/34/398194134.db2.gz WTBXCPICGMRBOM-CABCVRRESA-N 2 2 248.370 2.187 20 0 BEADLP Cc1cc(N(CC[NH+](C)C)C2CCCC2)nc[nH+]1 ZINC000339970074 178102653 /nfs/dbraw/zinc/10/26/53/178102653.db2.gz YHGNAXRSEMTAHR-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000228164564 178117689 /nfs/dbraw/zinc/11/76/89/178117689.db2.gz HFOLHNOZHLZZIH-NWDGAFQWSA-N 2 2 248.374 2.082 20 0 BEADLP FC(F)(F)c1ccccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000090557559 398201548 /nfs/dbraw/zinc/20/15/48/398201548.db2.gz UTXSEFNQFDMZDV-JTQLQIEISA-N 2 2 244.260 2.157 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000576338131 365569397 /nfs/dbraw/zinc/56/93/97/365569397.db2.gz PZHKXCQYFXWQBT-STQMWFEESA-N 2 2 230.311 2.402 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000336895920 398218777 /nfs/dbraw/zinc/21/87/77/398218777.db2.gz NPAUSMFACFHIAD-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cc(NCC[N@@H+](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000265291758 178159409 /nfs/dbraw/zinc/15/94/09/178159409.db2.gz BGPDNELRNXJVRS-UHFFFAOYSA-N 2 2 246.358 2.169 20 0 BEADLP Cc1cc(NCC[N@H+](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000265291758 178159410 /nfs/dbraw/zinc/15/94/10/178159410.db2.gz BGPDNELRNXJVRS-UHFFFAOYSA-N 2 2 246.358 2.169 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000342314148 136222842 /nfs/dbraw/zinc/22/28/42/136222842.db2.gz MUUKOWYXHNXBJM-VXGBXAGGSA-N 2 2 247.342 2.156 20 0 BEADLP Cc1cc(NC[C@H](C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000291965814 178169240 /nfs/dbraw/zinc/16/92/40/178169240.db2.gz VPJDVXSOPMWJMV-JTQLQIEISA-N 2 2 248.374 2.272 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684207 136221731 /nfs/dbraw/zinc/22/17/31/136221731.db2.gz RXOPLWJTDRXTAW-NEPJUHHUSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684207 136221732 /nfs/dbraw/zinc/22/17/32/136221732.db2.gz RXOPLWJTDRXTAW-NEPJUHHUSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000275772851 178184283 /nfs/dbraw/zinc/18/42/83/178184283.db2.gz HEZKWKBBHHEDKD-CMPLNLGQSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1cc(N[C@H](C[NH3+])C2CCCCC2)nc[nH+]1 ZINC000130855616 178187992 /nfs/dbraw/zinc/18/79/92/178187992.db2.gz HCFLAHSWOMUOMG-GFCCVEGCSA-N 2 2 234.347 2.105 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1ccccc1F)C1CC1 ZINC000430564883 398227990 /nfs/dbraw/zinc/22/79/90/398227990.db2.gz DBSYQXVLRZHHJZ-ZDUSSCGKSA-N 2 2 222.307 2.043 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cs1 ZINC000335175069 178233432 /nfs/dbraw/zinc/23/34/32/178233432.db2.gz CYUKNVKLOMCIEG-PWSUYJOCSA-N 2 2 224.373 2.459 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@]12CCOC2 ZINC000421397316 192329456 /nfs/dbraw/zinc/32/94/56/192329456.db2.gz DFMMPZXKWODQSZ-OAHLLOKOSA-N 2 2 246.354 2.187 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@]12CCOC2 ZINC000421397316 192329458 /nfs/dbraw/zinc/32/94/58/192329458.db2.gz DFMMPZXKWODQSZ-OAHLLOKOSA-N 2 2 246.354 2.187 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)on1 ZINC000336723371 178240220 /nfs/dbraw/zinc/24/02/20/178240220.db2.gz YYEONRHMIUVXIE-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)on1 ZINC000336723371 178240222 /nfs/dbraw/zinc/24/02/22/178240222.db2.gz YYEONRHMIUVXIE-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335296948 398238145 /nfs/dbraw/zinc/23/81/45/398238145.db2.gz FNCNWXYMHALNJI-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335296948 398238149 /nfs/dbraw/zinc/23/81/49/398238149.db2.gz FNCNWXYMHALNJI-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP C[NH+](C)Cc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000649436440 398238295 /nfs/dbraw/zinc/23/82/95/398238295.db2.gz FUIXEMOKTRVCFT-UHFFFAOYSA-N 2 2 201.273 2.138 20 0 BEADLP c1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000232473391 136229077 /nfs/dbraw/zinc/22/90/77/136229077.db2.gz YOIAHIUYYNPKEG-GJZGRUSLSA-N 2 2 230.355 2.479 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473514 136229238 /nfs/dbraw/zinc/22/92/38/136229238.db2.gz MXXKVFVNVVRDGN-JSGCOSHPSA-N 2 2 216.328 2.016 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165180352 361835430 /nfs/dbraw/zinc/83/54/30/361835430.db2.gz MGYFFDOLNRCOOZ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000335606627 136236387 /nfs/dbraw/zinc/23/63/87/136236387.db2.gz ZWQHFIHZRWCRCK-OLZOCXBDSA-N 2 2 220.360 2.312 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000335606627 136236388 /nfs/dbraw/zinc/23/63/88/136236388.db2.gz ZWQHFIHZRWCRCK-OLZOCXBDSA-N 2 2 220.360 2.312 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000335606631 136236427 /nfs/dbraw/zinc/23/64/27/136236427.db2.gz ZWQHFIHZRWCRCK-STQMWFEESA-N 2 2 220.360 2.312 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000335606631 136236428 /nfs/dbraw/zinc/23/64/28/136236428.db2.gz ZWQHFIHZRWCRCK-STQMWFEESA-N 2 2 220.360 2.312 20 0 BEADLP C[C@H](C[NH2+]C[C@H](C)C(C)(C)C)[NH+](C)C ZINC000379511448 538978347 /nfs/dbraw/zinc/97/83/47/538978347.db2.gz SDNVIYNQAVQXMG-WDEREUQCSA-N 2 2 200.370 2.208 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672341 538972888 /nfs/dbraw/zinc/97/28/88/538972888.db2.gz OAPFPWOIFXFUKH-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672341 538972889 /nfs/dbraw/zinc/97/28/89/538972889.db2.gz OAPFPWOIFXFUKH-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc2c(c(-c3[nH+]ccn3C)c1)C[NH2+]CC2 ZINC000630053390 361923359 /nfs/dbraw/zinc/92/33/59/361923359.db2.gz UGZBQYMVDBRYAR-UHFFFAOYSA-N 2 2 227.311 2.041 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000041011562 538974184 /nfs/dbraw/zinc/97/41/84/538974184.db2.gz LTTGGVWRMBYTSJ-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP CSc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335622134 136239847 /nfs/dbraw/zinc/23/98/47/136239847.db2.gz AHZZBSZONPSXNA-YPMHNXCESA-N 2 2 248.395 2.202 20 0 BEADLP CSc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335622134 136239848 /nfs/dbraw/zinc/23/98/48/136239848.db2.gz AHZZBSZONPSXNA-YPMHNXCESA-N 2 2 248.395 2.202 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000381647620 539005708 /nfs/dbraw/zinc/00/57/08/539005708.db2.gz CASKNXNUNIVDPF-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000381647620 539005710 /nfs/dbraw/zinc/00/57/10/539005710.db2.gz CASKNXNUNIVDPF-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381356155 538998950 /nfs/dbraw/zinc/99/89/50/538998950.db2.gz CIEYSUJUYKKLKM-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381356155 538998952 /nfs/dbraw/zinc/99/89/52/538998952.db2.gz CIEYSUJUYKKLKM-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CC1)[NH+]1CCC(C)CC1 ZINC000390504876 539022794 /nfs/dbraw/zinc/02/27/94/539022794.db2.gz WOIKDSFQNDILJZ-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948547 539017228 /nfs/dbraw/zinc/01/72/28/539017228.db2.gz HPAUANATDMMYES-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948547 539017230 /nfs/dbraw/zinc/01/72/30/539017230.db2.gz HPAUANATDMMYES-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(CCC[NH2+]C2CC[NH+](C)CC2)c[nH+]1 ZINC000353933109 136242770 /nfs/dbraw/zinc/24/27/70/136242770.db2.gz UWWMONNNMSDUMR-UHFFFAOYSA-N 3 2 247.386 2.006 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000584005406 342900322 /nfs/dbraw/zinc/90/03/22/342900322.db2.gz SLSWACJTVNHIMG-YPMHNXCESA-N 2 2 221.348 2.397 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410872 398329374 /nfs/dbraw/zinc/32/93/74/398329374.db2.gz CGHDCCSWLFATNJ-TVQRCGJNSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410872 398329375 /nfs/dbraw/zinc/32/93/75/398329375.db2.gz CGHDCCSWLFATNJ-TVQRCGJNSA-N 2 2 248.374 2.296 20 0 BEADLP CC(C)CCC[NH2+]CC[N@H+](C)C(C)C ZINC000053344163 346886761 /nfs/dbraw/zinc/88/67/61/346886761.db2.gz HMBMBXPZVRXQII-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)CCC[NH2+]CC[N@@H+](C)C(C)C ZINC000053344163 346886763 /nfs/dbraw/zinc/88/67/63/346886763.db2.gz HMBMBXPZVRXQII-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Br)cc1 ZINC000037712342 342942517 /nfs/dbraw/zinc/94/25/17/342942517.db2.gz UYENUOREVSFEGF-MRVPVSSYSA-N 2 2 243.148 2.058 20 0 BEADLP C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313274338 259332726 /nfs/dbraw/zinc/33/27/26/259332726.db2.gz UKONLHILLAXFRZ-CYBMUJFWSA-N 2 2 243.354 2.356 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000178067644 536667623 /nfs/dbraw/zinc/66/76/23/536667623.db2.gz JGZVEJLMGPNPBG-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000178067644 536667625 /nfs/dbraw/zinc/66/76/25/536667625.db2.gz JGZVEJLMGPNPBG-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@H](O)C2)c[nH+]1 ZINC000355170031 187211736 /nfs/dbraw/zinc/21/17/36/187211736.db2.gz VWAYDVOEVAHYAQ-CABCVRRESA-N 2 2 248.370 2.073 20 0 BEADLP CCc1cc(NCc2[nH+]ccn2CC)cc[nH+]1 ZINC000307765902 529558378 /nfs/dbraw/zinc/55/83/78/529558378.db2.gz AZEYTIBMXCZEAL-UHFFFAOYSA-N 2 2 230.315 2.473 20 0 BEADLP CC(C)c1nc(N2CCC[C@H]2C[NH+](C)C)cc[nH+]1 ZINC000357121540 187213890 /nfs/dbraw/zinc/21/38/90/187213890.db2.gz ISUFELQASNBRFY-LBPRGKRZSA-N 2 2 248.374 2.130 20 0 BEADLP CC(C)=CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000368592201 187220780 /nfs/dbraw/zinc/22/07/80/187220780.db2.gz KFPGJXLSKKCJPE-LBPRGKRZSA-N 2 2 219.332 2.176 20 0 BEADLP CC(C)=CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000368592201 187220782 /nfs/dbraw/zinc/22/07/82/187220782.db2.gz KFPGJXLSKKCJPE-LBPRGKRZSA-N 2 2 219.332 2.176 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000223249687 187228340 /nfs/dbraw/zinc/22/83/40/187228340.db2.gz JKTWKZKYRAFIQC-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000223249687 187228341 /nfs/dbraw/zinc/22/83/41/187228341.db2.gz JKTWKZKYRAFIQC-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccncc1Cl ZINC000133596001 343190820 /nfs/dbraw/zinc/19/08/20/343190820.db2.gz HHMDIXKSSATFGN-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccncc1Cl ZINC000133596001 343190822 /nfs/dbraw/zinc/19/08/22/343190822.db2.gz HHMDIXKSSATFGN-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000032717152 343240837 /nfs/dbraw/zinc/24/08/37/343240837.db2.gz VGXCXKHPHLXTEG-UHFFFAOYSA-N 2 2 248.374 2.050 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1F ZINC000051017527 343242572 /nfs/dbraw/zinc/24/25/72/343242572.db2.gz RLYOUFPWMTYLQR-JOYOIKCWSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1F ZINC000051017527 343242574 /nfs/dbraw/zinc/24/25/74/343242574.db2.gz RLYOUFPWMTYLQR-JOYOIKCWSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000069675503 343288570 /nfs/dbraw/zinc/28/85/70/343288570.db2.gz NTOYHGUJQQWCQI-CKYFFXLPSA-N 2 2 207.321 2.324 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000335615369 136296134 /nfs/dbraw/zinc/29/61/34/136296134.db2.gz ACZNJSHOBUYXIK-ONGXEEELSA-N 2 2 239.388 2.244 20 0 BEADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000353931001 136297128 /nfs/dbraw/zinc/29/71/28/136297128.db2.gz PTDIJIUBZURNPQ-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757477 136297864 /nfs/dbraw/zinc/29/78/64/136297864.db2.gz WEMKZPBYVYNDFA-AWEZNQCLSA-N 2 2 236.334 2.181 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348757477 136297865 /nfs/dbraw/zinc/29/78/65/136297865.db2.gz WEMKZPBYVYNDFA-AWEZNQCLSA-N 2 2 236.334 2.181 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cs1 ZINC000335615366 136295945 /nfs/dbraw/zinc/29/59/45/136295945.db2.gz ACZNJSHOBUYXIK-GXSJLCMTSA-N 2 2 239.388 2.244 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccco1)C[NH+]1CCCCC1 ZINC000037997557 343365189 /nfs/dbraw/zinc/36/51/89/343365189.db2.gz XPOHCMHTWOGYFJ-ZDUSSCGKSA-N 2 2 236.359 2.491 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccn1 ZINC000037157271 343337285 /nfs/dbraw/zinc/33/72/85/343337285.db2.gz DYABQNMPXYQIRP-NWDGAFQWSA-N 2 2 230.315 2.017 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000037184136 343338288 /nfs/dbraw/zinc/33/82/88/343338288.db2.gz BXIFLRUEEBJUKN-AWEZNQCLSA-N 2 2 248.370 2.224 20 0 BEADLP CCC[C@H](C)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000070902221 343339130 /nfs/dbraw/zinc/33/91/30/343339130.db2.gz ZKYAMCJDTOCFRP-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000070902221 343339132 /nfs/dbraw/zinc/33/91/32/343339132.db2.gz ZKYAMCJDTOCFRP-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000037248725 343340951 /nfs/dbraw/zinc/34/09/51/343340951.db2.gz XSRGYXLZSTXLLX-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000335677320 136319025 /nfs/dbraw/zinc/31/90/25/136319025.db2.gz HUCSPPQRQNYPRS-AAEUAGOBSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000335677320 136319026 /nfs/dbraw/zinc/31/90/26/136319026.db2.gz HUCSPPQRQNYPRS-AAEUAGOBSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000335677323 136319265 /nfs/dbraw/zinc/31/92/65/136319265.db2.gz HUCSPPQRQNYPRS-YPMHNXCESA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000335677323 136319266 /nfs/dbraw/zinc/31/92/66/136319266.db2.gz HUCSPPQRQNYPRS-YPMHNXCESA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC000335640631 136308205 /nfs/dbraw/zinc/30/82/05/136308205.db2.gz OTFKHHYEQMDFEU-GXSJLCMTSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000348999866 136314991 /nfs/dbraw/zinc/31/49/91/136314991.db2.gz FTXCGDNJPYJFDN-NWDGAFQWSA-N 2 2 238.350 2.469 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000348999868 136315154 /nfs/dbraw/zinc/31/51/54/136315154.db2.gz FTXCGDNJPYJFDN-VXGBXAGGSA-N 2 2 238.350 2.469 20 0 BEADLP Cc1ccc(C)c(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000042209423 343431395 /nfs/dbraw/zinc/43/13/95/343431395.db2.gz OTEUWAHORCOFGL-UHFFFAOYSA-N 2 2 232.371 2.489 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064682 136366968 /nfs/dbraw/zinc/36/69/68/136366968.db2.gz PEMAHRHLEMNTHG-QWHCGFSZSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064682 136366969 /nfs/dbraw/zinc/36/69/69/136366969.db2.gz PEMAHRHLEMNTHG-QWHCGFSZSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064682 136366970 /nfs/dbraw/zinc/36/69/70/136366970.db2.gz PEMAHRHLEMNTHG-QWHCGFSZSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064682 136366971 /nfs/dbraw/zinc/36/69/71/136366971.db2.gz PEMAHRHLEMNTHG-QWHCGFSZSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351064682 136366972 /nfs/dbraw/zinc/36/69/72/136366972.db2.gz PEMAHRHLEMNTHG-QWHCGFSZSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351064682 136366973 /nfs/dbraw/zinc/36/69/73/136366973.db2.gz PEMAHRHLEMNTHG-QWHCGFSZSA-N 2 2 248.374 2.031 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000042544043 343442813 /nfs/dbraw/zinc/44/28/13/343442813.db2.gz BLRQMBGXUBPPLR-YPMHNXCESA-N 2 2 204.317 2.041 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000042544043 343442817 /nfs/dbraw/zinc/44/28/17/343442817.db2.gz BLRQMBGXUBPPLR-YPMHNXCESA-N 2 2 204.317 2.041 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000083054320 343475368 /nfs/dbraw/zinc/47/53/68/343475368.db2.gz AGCISERRSLJHMD-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000083054320 343475370 /nfs/dbraw/zinc/47/53/70/343475370.db2.gz AGCISERRSLJHMD-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000083055405 343475997 /nfs/dbraw/zinc/47/59/97/343475997.db2.gz ISRFXNOCPVAUCN-CMPLNLGQSA-N 2 2 207.321 2.050 20 0 BEADLP [NH3+][C@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000049237914 343594819 /nfs/dbraw/zinc/59/48/19/343594819.db2.gz TUAHXAHNODBFNF-CQSZACIVSA-N 2 2 230.355 2.465 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000070975807 343579514 /nfs/dbraw/zinc/57/95/14/343579514.db2.gz ZABWVWAMFNNNHN-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000070975807 343579518 /nfs/dbraw/zinc/57/95/18/343579518.db2.gz ZABWVWAMFNNNHN-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccn1 ZINC000049553103 343602194 /nfs/dbraw/zinc/60/21/94/343602194.db2.gz XJAGGURWCVNXHL-NWDGAFQWSA-N 2 2 221.348 2.072 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCCC1(C)C)[NH+](C)C ZINC000086844229 343630274 /nfs/dbraw/zinc/63/02/74/343630274.db2.gz LLJTUWLEXDGBJA-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Clc1cncc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434458 343734774 /nfs/dbraw/zinc/73/47/74/343734774.db2.gz VLRALJACWZRKSC-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP Clc1cncc(C[N@H+]2CCc3[nH+]c[nH]c3C2)c1 ZINC000625434458 343734775 /nfs/dbraw/zinc/73/47/75/343734775.db2.gz VLRALJACWZRKSC-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP CC(C)=CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434421 343735002 /nfs/dbraw/zinc/73/50/02/343735002.db2.gz SYCXKUXWERGUGS-UHFFFAOYSA-N 2 2 205.305 2.124 20 0 BEADLP CC(C)=CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434421 343735003 /nfs/dbraw/zinc/73/50/03/343735003.db2.gz SYCXKUXWERGUGS-UHFFFAOYSA-N 2 2 205.305 2.124 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000625434155 343735251 /nfs/dbraw/zinc/73/52/51/343735251.db2.gz GJOVOSXQIMKGRZ-UTUOFQBUSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000625434155 343735253 /nfs/dbraw/zinc/73/52/53/343735253.db2.gz GJOVOSXQIMKGRZ-UTUOFQBUSA-N 2 2 231.343 2.204 20 0 BEADLP CC(C)C[C@@H](C)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434746 343735593 /nfs/dbraw/zinc/73/55/93/343735593.db2.gz GXHDTQOVIZYPDM-SNVBAGLBSA-N 2 2 207.321 2.202 20 0 BEADLP CC(C)C[C@@H](C)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434746 343735596 /nfs/dbraw/zinc/73/55/96/343735596.db2.gz GXHDTQOVIZYPDM-SNVBAGLBSA-N 2 2 207.321 2.202 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000221279591 259370005 /nfs/dbraw/zinc/37/00/05/259370005.db2.gz UVOCNJMCZWVSMX-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000221279591 259370006 /nfs/dbraw/zinc/37/00/06/259370006.db2.gz UVOCNJMCZWVSMX-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309163342 346974033 /nfs/dbraw/zinc/97/40/33/346974033.db2.gz HWFJVEYXBYWCPI-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309163342 346974037 /nfs/dbraw/zinc/97/40/37/346974037.db2.gz HWFJVEYXBYWCPI-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCC(F)(F)CC1 ZINC000625770120 344065674 /nfs/dbraw/zinc/06/56/74/344065674.db2.gz GNYZOWVTGZZYEJ-UHFFFAOYSA-N 2 2 243.301 2.084 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221319842 259371978 /nfs/dbraw/zinc/37/19/78/259371978.db2.gz QZNGXRRABPXGNM-QJPTWQEYSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221319842 259371979 /nfs/dbraw/zinc/37/19/79/259371979.db2.gz QZNGXRRABPXGNM-QJPTWQEYSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000126789759 344103464 /nfs/dbraw/zinc/10/34/64/344103464.db2.gz ADQPUZYJJUHMPD-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000126789759 344103465 /nfs/dbraw/zinc/10/34/65/344103465.db2.gz ADQPUZYJJUHMPD-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+](CC(F)F)C1CC1 ZINC000572777862 323068072 /nfs/dbraw/zinc/06/80/72/323068072.db2.gz MWCNBHKXKPGJPC-UHFFFAOYSA-N 2 2 243.301 2.082 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+](CC(F)F)C1CC1 ZINC000572777862 323068073 /nfs/dbraw/zinc/06/80/73/323068073.db2.gz MWCNBHKXKPGJPC-UHFFFAOYSA-N 2 2 243.301 2.082 20 0 BEADLP CC(C)[NH2+]C1CCN(c2cc[nH+]cc2F)CC1 ZINC000641335626 362366469 /nfs/dbraw/zinc/36/64/69/362366469.db2.gz LVVXUNPWNNGBFE-UHFFFAOYSA-N 2 2 237.322 2.188 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130096576 344218497 /nfs/dbraw/zinc/21/84/97/344218497.db2.gz MRKIGKFAPOWUDZ-NEPJUHHUSA-N 2 2 200.370 2.351 20 0 BEADLP Fc1c[nH+]ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000641342202 362370749 /nfs/dbraw/zinc/37/07/49/362370749.db2.gz BXMBAGQOAJSYDM-LLVKDONJSA-N 2 2 246.289 2.259 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336763875 537844041 /nfs/dbraw/zinc/84/40/41/537844041.db2.gz MOQAESYUASAZER-HZSPNIEDSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336763875 537844050 /nfs/dbraw/zinc/84/40/50/537844050.db2.gz MOQAESYUASAZER-HZSPNIEDSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCC1 ZINC000133302772 344317211 /nfs/dbraw/zinc/31/72/11/344317211.db2.gz XRRCJXMGQJGBNP-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000133302772 344317212 /nfs/dbraw/zinc/31/72/12/344317212.db2.gz XRRCJXMGQJGBNP-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070497 344317861 /nfs/dbraw/zinc/31/78/61/344317861.db2.gz DBBHJVJOEWBCTK-IAQYHMDHSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070497 344317862 /nfs/dbraw/zinc/31/78/62/344317862.db2.gz DBBHJVJOEWBCTK-IAQYHMDHSA-N 2 2 230.355 2.097 20 0 BEADLP Fc1c[nH+]ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000641388997 362387147 /nfs/dbraw/zinc/38/71/47/362387147.db2.gz ZWMLVGARQWFUMX-GFCCVEGCSA-N 2 2 249.333 2.143 20 0 BEADLP Cc1cc(N2CCC[C@@H](C)[C@H]2CCC[NH3+])nc[nH+]1 ZINC000634811938 344396468 /nfs/dbraw/zinc/39/64/68/344396468.db2.gz VENGNXXOFCVYAE-DGCLKSJQSA-N 2 2 248.374 2.129 20 0 BEADLP CC[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000584299296 344438150 /nfs/dbraw/zinc/43/81/50/344438150.db2.gz FSNNZWNDLNLVHH-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP CC[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000584299296 344438152 /nfs/dbraw/zinc/43/81/52/344438152.db2.gz FSNNZWNDLNLVHH-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326273 344488603 /nfs/dbraw/zinc/48/86/03/344488603.db2.gz XSFBMNDDGMXXMZ-WDEREUQCSA-N 2 2 224.373 2.021 20 0 BEADLP Cc1ccsc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044540063 344543412 /nfs/dbraw/zinc/54/34/12/344543412.db2.gz KXRSCXFPHQGAGL-NSHDSACASA-N 2 2 224.373 2.370 20 0 BEADLP Cc1ccsc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044540063 344543415 /nfs/dbraw/zinc/54/34/15/344543415.db2.gz KXRSCXFPHQGAGL-NSHDSACASA-N 2 2 224.373 2.370 20 0 BEADLP Fc1c[nH+]ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000641538868 362488458 /nfs/dbraw/zinc/48/84/58/362488458.db2.gz UPGWAURAAXSRPK-GFCCVEGCSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000641538869 362489274 /nfs/dbraw/zinc/48/92/74/362489274.db2.gz UPGWAURAAXSRPK-LBPRGKRZSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000641547027 362495352 /nfs/dbraw/zinc/49/53/52/362495352.db2.gz JRFYECCOSVMAEU-UHFFFAOYSA-N 2 2 249.333 2.071 20 0 BEADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]cc3F)C2)C1 ZINC000641611491 362547065 /nfs/dbraw/zinc/54/70/65/362547065.db2.gz VYKLAGVXHMBHPD-CQSZACIVSA-N 2 2 249.333 2.143 20 0 BEADLP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]cc3F)C2)C1 ZINC000641611491 362547069 /nfs/dbraw/zinc/54/70/69/362547069.db2.gz VYKLAGVXHMBHPD-CQSZACIVSA-N 2 2 249.333 2.143 20 0 BEADLP CN(c1cc[nH+]cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000641594047 362535886 /nfs/dbraw/zinc/53/58/86/362535886.db2.gz BJXWQQIKFWSPEB-FOSCPWQOSA-N 2 2 249.333 2.282 20 0 BEADLP CN(c1cc[nH+]cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000641594047 362535891 /nfs/dbraw/zinc/53/58/91/362535891.db2.gz BJXWQQIKFWSPEB-FOSCPWQOSA-N 2 2 249.333 2.282 20 0 BEADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH+]cc1F ZINC000641601826 362539726 /nfs/dbraw/zinc/53/97/26/362539726.db2.gz LLUYGYVIRAWGPK-LLVKDONJSA-N 2 2 239.338 2.175 20 0 BEADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]cc1F ZINC000641601826 362539732 /nfs/dbraw/zinc/53/97/32/362539732.db2.gz LLUYGYVIRAWGPK-LLVKDONJSA-N 2 2 239.338 2.175 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993306 345189372 /nfs/dbraw/zinc/18/93/72/345189372.db2.gz QAFCZBONCHQUDX-WLYUNCDWSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993306 345189373 /nfs/dbraw/zinc/18/93/73/345189373.db2.gz QAFCZBONCHQUDX-WLYUNCDWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H]([N@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991397 345176906 /nfs/dbraw/zinc/17/69/06/345176906.db2.gz CEISFOVFJKZGMU-NELGMTEASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([N@@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991397 345176908 /nfs/dbraw/zinc/17/69/08/345176908.db2.gz CEISFOVFJKZGMU-NELGMTEASA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC23CC(C2)C[NH2+]3)cc1 ZINC000634991784 345178197 /nfs/dbraw/zinc/17/81/97/345178197.db2.gz RJUKZDDYIOQTMI-UHFFFAOYSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+](C)CC23CC(C2)C[NH2+]3)cc1 ZINC000634991784 345178199 /nfs/dbraw/zinc/17/81/99/345178199.db2.gz RJUKZDDYIOQTMI-UHFFFAOYSA-N 2 2 230.355 2.179 20 0 BEADLP CC1CCC([N@H+](C)CC23CC(C2)C[NH2+]3)CC1 ZINC000634991721 345178695 /nfs/dbraw/zinc/17/86/95/345178695.db2.gz PHANPZLSUVJDBH-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CC1CCC([N@@H+](C)CC23CC(C2)C[NH2+]3)CC1 ZINC000634991721 345178697 /nfs/dbraw/zinc/17/86/97/345178697.db2.gz PHANPZLSUVJDBH-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992163 345179943 /nfs/dbraw/zinc/17/99/43/345179943.db2.gz GGWWSPLNDZKRBE-IYXRBSQSSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992163 345179946 /nfs/dbraw/zinc/17/99/46/345179946.db2.gz GGWWSPLNDZKRBE-IYXRBSQSSA-N 2 2 222.376 2.106 20 0 BEADLP CCC1(C)CC[NH+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634992589 345181304 /nfs/dbraw/zinc/18/13/04/345181304.db2.gz UULKHMULZDEVPN-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCC(C)(C)C1 ZINC000634994656 345182904 /nfs/dbraw/zinc/18/29/04/345182904.db2.gz JSXQRYMYEKLHBW-MBHSVXNSSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+](CC12CC(C1)C[NH2+]2)[C@@H]1CCC(C)(C)C1 ZINC000634994656 345182906 /nfs/dbraw/zinc/18/29/06/345182906.db2.gz JSXQRYMYEKLHBW-MBHSVXNSSA-N 2 2 222.376 2.249 20 0 BEADLP Fc1cccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634992857 345188389 /nfs/dbraw/zinc/18/83/89/345188389.db2.gz DIAMNQKKBUIXPD-UHFFFAOYSA-N 2 2 246.329 2.156 20 0 BEADLP c1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634993138 345188568 /nfs/dbraw/zinc/18/85/68/345188568.db2.gz LZQJVXZJKNGGBJ-UHFFFAOYSA-N 2 2 228.339 2.017 20 0 BEADLP CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156355170 345152370 /nfs/dbraw/zinc/15/23/70/345152370.db2.gz GOANMDHHKRYJHC-CYBMUJFWSA-N 2 2 220.316 2.335 20 0 BEADLP CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156355170 345152372 /nfs/dbraw/zinc/15/23/72/345152372.db2.gz GOANMDHHKRYJHC-CYBMUJFWSA-N 2 2 220.316 2.335 20 0 BEADLP CC[C@]1(C)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992995 345188937 /nfs/dbraw/zinc/18/89/37/345188937.db2.gz IIJMMXNTEAYQBF-ROKHWSDSSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@]1(C)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992995 345188940 /nfs/dbraw/zinc/18/89/40/345188940.db2.gz IIJMMXNTEAYQBF-ROKHWSDSSA-N 2 2 222.376 2.251 20 0 BEADLP CC(C)[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993189 345188983 /nfs/dbraw/zinc/18/89/83/345188983.db2.gz MYTOJMQBVKYXIX-MOKVOYLWSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993189 345188984 /nfs/dbraw/zinc/18/89/84/345188984.db2.gz MYTOJMQBVKYXIX-MOKVOYLWSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993014 345189004 /nfs/dbraw/zinc/18/90/04/345189004.db2.gz ITNGEACQNONSAJ-VEAWUBTESA-N 2 2 242.366 2.185 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993014 345189006 /nfs/dbraw/zinc/18/90/06/345189006.db2.gz ITNGEACQNONSAJ-VEAWUBTESA-N 2 2 242.366 2.185 20 0 BEADLP C/C=C\C[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997044 345193975 /nfs/dbraw/zinc/19/39/75/345193975.db2.gz BOHQHWUXFLHQOD-IORDILMOSA-N 2 2 234.387 2.417 20 0 BEADLP C/C=C\C[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997044 345193976 /nfs/dbraw/zinc/19/39/76/345193976.db2.gz BOHQHWUXFLHQOD-IORDILMOSA-N 2 2 234.387 2.417 20 0 BEADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C)(F)CC1 ZINC000635001532 345201341 /nfs/dbraw/zinc/20/13/41/345201341.db2.gz CMSMDYAHHWQJNT-UHFFFAOYSA-N 2 2 216.344 2.199 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000635006382 345210716 /nfs/dbraw/zinc/21/07/16/345210716.db2.gz MIZMFEXBYKPZIC-NGZCFLSTSA-N 2 2 239.388 2.243 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368097865 345216788 /nfs/dbraw/zinc/21/67/88/345216788.db2.gz AATLVHJBATZHBS-MNOVXSKESA-N 2 2 221.348 2.435 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368097865 345216790 /nfs/dbraw/zinc/21/67/90/345216790.db2.gz AATLVHJBATZHBS-MNOVXSKESA-N 2 2 221.348 2.435 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000626114086 345308918 /nfs/dbraw/zinc/30/89/18/345308918.db2.gz SDKARNDWYNZEGA-UHFFFAOYSA-N 2 2 219.332 2.186 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000626114086 345308921 /nfs/dbraw/zinc/30/89/21/345308921.db2.gz SDKARNDWYNZEGA-UHFFFAOYSA-N 2 2 219.332 2.186 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335602628 345417387 /nfs/dbraw/zinc/41/73/87/345417387.db2.gz ZXTBMSGCNJBWJI-CABZTGNLSA-N 2 2 219.332 2.045 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335602628 345417389 /nfs/dbraw/zinc/41/73/89/345417389.db2.gz ZXTBMSGCNJBWJI-CABZTGNLSA-N 2 2 219.332 2.045 20 0 BEADLP COC[C@@H]([NH2+]CCc1cc[nH+]cc1C)C(C)C ZINC000090847286 345577490 /nfs/dbraw/zinc/57/74/90/345577490.db2.gz ZNTJWMYCOIFIDH-CQSZACIVSA-N 2 2 236.359 2.193 20 0 BEADLP CC(C)[N@H+](C)CCNc1cc[nH+]c2ccncc12 ZINC000085660570 345528956 /nfs/dbraw/zinc/52/89/56/345528956.db2.gz ABHWVTYSWDOPGA-UHFFFAOYSA-N 2 2 244.342 2.382 20 0 BEADLP CC(C)[N@@H+](C)CCNc1cc[nH+]c2ccncc12 ZINC000085660570 345528959 /nfs/dbraw/zinc/52/89/59/345528959.db2.gz ABHWVTYSWDOPGA-UHFFFAOYSA-N 2 2 244.342 2.382 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000090048107 345563488 /nfs/dbraw/zinc/56/34/88/345563488.db2.gz QCWWHPIPHHMPFY-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CSc1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000641703364 362612900 /nfs/dbraw/zinc/61/29/00/362612900.db2.gz QADGGYHOXMBWNV-UHFFFAOYSA-N 2 2 240.372 2.185 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000213920912 345741293 /nfs/dbraw/zinc/74/12/93/345741293.db2.gz XTFXEPWBDOPOMY-SNVBAGLBSA-N 2 2 210.296 2.167 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000213920912 345741295 /nfs/dbraw/zinc/74/12/95/345741295.db2.gz XTFXEPWBDOPOMY-SNVBAGLBSA-N 2 2 210.296 2.167 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000070643844 345793732 /nfs/dbraw/zinc/79/37/32/345793732.db2.gz JHPFTLZSKUWDOU-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166889624 345942981 /nfs/dbraw/zinc/94/29/81/345942981.db2.gz FSEAPMJZVPWKTA-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166889624 345942982 /nfs/dbraw/zinc/94/29/82/345942982.db2.gz FSEAPMJZVPWKTA-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000034344975 346249962 /nfs/dbraw/zinc/24/99/62/346249962.db2.gz KSIGDPOLDAZXKD-UHFFFAOYSA-N 2 2 230.315 2.069 20 0 BEADLP c1ccc2oc(C[NH2+]CCC[NH+]3CCC3)nc2c1 ZINC000641741805 362669022 /nfs/dbraw/zinc/66/90/22/362669022.db2.gz DADOQCWQTZXWDS-UHFFFAOYSA-N 2 2 245.326 2.013 20 0 BEADLP Cc1scc(C[NH2+]CCc2cn(C)c[nH+]2)c1C ZINC000631156531 346281045 /nfs/dbraw/zinc/28/10/45/346281045.db2.gz QRZFMYNCXSCCPT-UHFFFAOYSA-N 2 2 249.383 2.431 20 0 BEADLP Cc1ncc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000628272863 346283696 /nfs/dbraw/zinc/28/36/96/346283696.db2.gz AMXRGBNKUPRWGP-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1ncc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000628272863 346283698 /nfs/dbraw/zinc/28/36/98/346283698.db2.gz AMXRGBNKUPRWGP-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000628272863 346283700 /nfs/dbraw/zinc/28/37/00/346283700.db2.gz AMXRGBNKUPRWGP-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1ncc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000628272863 346283702 /nfs/dbraw/zinc/28/37/02/346283702.db2.gz AMXRGBNKUPRWGP-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1oc(C)nc1C ZINC000628279731 346290760 /nfs/dbraw/zinc/29/07/60/346290760.db2.gz WNPVTJWNNJAINP-UHFFFAOYSA-N 2 2 239.363 2.065 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1oc(C)nc1C ZINC000628279731 346290763 /nfs/dbraw/zinc/29/07/63/346290763.db2.gz WNPVTJWNNJAINP-UHFFFAOYSA-N 2 2 239.363 2.065 20 0 BEADLP Cc1cccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358078624 179060154 /nfs/dbraw/zinc/06/01/54/179060154.db2.gz DILMVVGMZRCPTL-HIFRSBDPSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1cccc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358078624 179060157 /nfs/dbraw/zinc/06/01/57/179060157.db2.gz DILMVVGMZRCPTL-HIFRSBDPSA-N 2 2 232.371 2.077 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000182275411 347090693 /nfs/dbraw/zinc/09/06/93/347090693.db2.gz SLPPZRPODRXUSG-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000019843378 179074250 /nfs/dbraw/zinc/07/42/50/179074250.db2.gz GYQDQXBGVJPFIW-AWEZNQCLSA-N 2 2 218.344 2.308 20 0 BEADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000019843378 179074252 /nfs/dbraw/zinc/07/42/52/179074252.db2.gz GYQDQXBGVJPFIW-AWEZNQCLSA-N 2 2 218.344 2.308 20 0 BEADLP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1F ZINC000296774172 179085243 /nfs/dbraw/zinc/08/52/43/179085243.db2.gz LNFZFTDJXXLMET-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1F ZINC000296774172 179085244 /nfs/dbraw/zinc/08/52/44/179085244.db2.gz LNFZFTDJXXLMET-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1F ZINC000296774172 179085246 /nfs/dbraw/zinc/08/52/46/179085246.db2.gz LNFZFTDJXXLMET-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1F ZINC000296774172 179085248 /nfs/dbraw/zinc/08/52/48/179085248.db2.gz LNFZFTDJXXLMET-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000335309363 179082595 /nfs/dbraw/zinc/08/25/95/179082595.db2.gz XGLFUSYRSDNHJL-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000335309363 179082597 /nfs/dbraw/zinc/08/25/97/179082597.db2.gz XGLFUSYRSDNHJL-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000641798331 362745183 /nfs/dbraw/zinc/74/51/83/362745183.db2.gz FTONQIUYQNHAQN-DCAQKATOSA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000641798331 362745187 /nfs/dbraw/zinc/74/51/87/362745187.db2.gz FTONQIUYQNHAQN-DCAQKATOSA-N 2 2 234.334 2.337 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1C ZINC000042325156 179097856 /nfs/dbraw/zinc/09/78/56/179097856.db2.gz IYBCRBGDDUWKBS-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1C ZINC000042325156 179097858 /nfs/dbraw/zinc/09/78/58/179097858.db2.gz IYBCRBGDDUWKBS-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054763632 179094487 /nfs/dbraw/zinc/09/44/87/179094487.db2.gz WJPXTBASOJROSB-UHFFFAOYSA-N 2 2 201.273 2.008 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000580062462 346502384 /nfs/dbraw/zinc/50/23/84/346502384.db2.gz FCJBLANSYTWOKO-SMDDNHRTSA-N 2 2 248.370 2.392 20 0 BEADLP C[C@@H]1C[NH+](CC[NH2+]C(C)(C)C)C[C@@H](C)S1 ZINC000069909106 349967959 /nfs/dbraw/zinc/96/79/59/349967959.db2.gz MXYAPULYZMZGNN-GHMZBOCLSA-N 2 2 230.421 2.200 20 0 BEADLP Cc1cncc(C[N@@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803392 362760418 /nfs/dbraw/zinc/76/04/18/362760418.db2.gz CMAWHYDMPVSZNS-NFAWXSAZSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cncc(C[N@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803392 362760421 /nfs/dbraw/zinc/76/04/21/362760421.db2.gz CMAWHYDMPVSZNS-NFAWXSAZSA-N 2 2 247.386 2.338 20 0 BEADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000641803542 362760454 /nfs/dbraw/zinc/76/04/54/362760454.db2.gz SRTQYYWRVKUSCF-RYUDHWBXSA-N 2 2 240.297 2.180 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccn2)[C@@H]1C ZINC000641806924 362765028 /nfs/dbraw/zinc/76/50/28/362765028.db2.gz JLXLCNKXZAJLHU-BZPMIXESSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccn2)[C@@H]1C ZINC000641806924 362765033 /nfs/dbraw/zinc/76/50/33/362765033.db2.gz JLXLCNKXZAJLHU-BZPMIXESSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccnc2)[C@H]1C ZINC000641807530 362765843 /nfs/dbraw/zinc/76/58/43/362765843.db2.gz KEXGLZOSCPLNSZ-MBNYWOFBSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccnc2)[C@H]1C ZINC000641807530 362765849 /nfs/dbraw/zinc/76/58/49/362765849.db2.gz KEXGLZOSCPLNSZ-MBNYWOFBSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000580108485 346533696 /nfs/dbraw/zinc/53/36/96/346533696.db2.gz NLETYBDNQISGIN-BEAPCOKYSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000580108485 346533699 /nfs/dbraw/zinc/53/36/99/346533699.db2.gz NLETYBDNQISGIN-BEAPCOKYSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]CCC[C@H]1CCO1 ZINC000623015211 346540701 /nfs/dbraw/zinc/54/07/01/346540701.db2.gz PBQIAIWYHQVQIC-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP CC[C@@](C)([NH2+]CC1CC[NH2+]CC1)C(F)(F)F ZINC000580154941 346570814 /nfs/dbraw/zinc/57/08/14/346570814.db2.gz AQJQOIQREIGHTG-SNVBAGLBSA-N 2 2 238.297 2.307 20 0 BEADLP C[N@@H+]1CC[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000187668749 346596934 /nfs/dbraw/zinc/59/69/34/346596934.db2.gz OQEATRQEKVPNTJ-LLVKDONJSA-N 2 2 247.367 2.378 20 0 BEADLP C[N@H+]1CC[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000187668749 346596935 /nfs/dbraw/zinc/59/69/35/346596935.db2.gz OQEATRQEKVPNTJ-LLVKDONJSA-N 2 2 247.367 2.378 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000580657635 365852882 /nfs/dbraw/zinc/85/28/82/365852882.db2.gz SYYMLJOOXIUCDL-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000580657635 365852887 /nfs/dbraw/zinc/85/28/87/365852887.db2.gz SYYMLJOOXIUCDL-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP Cc1cccc(N[C@H](C[NH3+])C2CCCC2)[nH+]1 ZINC000235928376 179157964 /nfs/dbraw/zinc/15/79/64/179157964.db2.gz IBXPSCQUZFCMGG-GFCCVEGCSA-N 2 2 219.332 2.319 20 0 BEADLP Cc1cccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC000049568892 179154655 /nfs/dbraw/zinc/15/46/55/179154655.db2.gz RPSCQNAUTYKKKW-CHWSQXEVSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1cccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC000049568892 179154657 /nfs/dbraw/zinc/15/46/57/179154657.db2.gz RPSCQNAUTYKKKW-CHWSQXEVSA-N 2 2 231.343 2.429 20 0 BEADLP CC[C@H](C)C[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000669380341 537986712 /nfs/dbraw/zinc/98/67/12/537986712.db2.gz XNGJJVBJANQGKI-JTQLQIEISA-N 2 2 241.404 2.340 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1F ZINC000622003995 370653998 /nfs/dbraw/zinc/65/39/98/370653998.db2.gz IPALYFSZIRRHOM-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1F ZINC000622003995 370654001 /nfs/dbraw/zinc/65/40/01/370654001.db2.gz IPALYFSZIRRHOM-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccs1)C2 ZINC000622005850 370656905 /nfs/dbraw/zinc/65/69/05/370656905.db2.gz NWJAYPSAFXZAAV-PWSUYJOCSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccs1)C2 ZINC000622005850 370656910 /nfs/dbraw/zinc/65/69/10/370656910.db2.gz NWJAYPSAFXZAAV-PWSUYJOCSA-N 2 2 222.357 2.061 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000387957605 347133674 /nfs/dbraw/zinc/13/36/74/347133674.db2.gz CSEPRLZVKCONEE-QNWHQSFQSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000387957605 347133678 /nfs/dbraw/zinc/13/36/78/347133678.db2.gz CSEPRLZVKCONEE-QNWHQSFQSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccco1 ZINC000382576413 347366740 /nfs/dbraw/zinc/36/67/40/347366740.db2.gz FWRNMVIAKMFUPP-JTQLQIEISA-N 2 2 208.305 2.072 20 0 BEADLP C[NH2+]CCSCc1cn2cccc(C)c2[nH+]1 ZINC000382643643 347382053 /nfs/dbraw/zinc/38/20/53/347382053.db2.gz GPKQZGSZHZPERW-UHFFFAOYSA-N 2 2 235.356 2.095 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCSc1ccccc1 ZINC000380830525 347383339 /nfs/dbraw/zinc/38/33/39/347383339.db2.gz PHIXDDCFIWTIIQ-AAEUAGOBSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCSc1ccccc1 ZINC000380830525 347383342 /nfs/dbraw/zinc/38/33/42/347383342.db2.gz PHIXDDCFIWTIIQ-AAEUAGOBSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000020226758 347430646 /nfs/dbraw/zinc/43/06/46/347430646.db2.gz JHCWPJAHEDDGDP-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000020226758 347430649 /nfs/dbraw/zinc/43/06/49/347430649.db2.gz JHCWPJAHEDDGDP-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000020226757 347430981 /nfs/dbraw/zinc/43/09/81/347430981.db2.gz KENOZOXJYUQORR-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000020226757 347430986 /nfs/dbraw/zinc/43/09/86/347430986.db2.gz KENOZOXJYUQORR-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336767450 347439020 /nfs/dbraw/zinc/43/90/20/347439020.db2.gz SLDAGQXHQMOPOE-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336768036 347442509 /nfs/dbraw/zinc/44/25/09/347442509.db2.gz UGCXGLXPXQNOEH-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336768036 347442512 /nfs/dbraw/zinc/44/25/12/347442512.db2.gz UGCXGLXPXQNOEH-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP CCCC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000207128813 347543304 /nfs/dbraw/zinc/54/33/04/347543304.db2.gz QOJBVSXGQVYQCH-ZIAGYGMSSA-N 2 2 218.344 2.213 20 0 BEADLP CCCC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000207128813 347543308 /nfs/dbraw/zinc/54/33/08/347543308.db2.gz QOJBVSXGQVYQCH-ZIAGYGMSSA-N 2 2 218.344 2.213 20 0 BEADLP Cc1ccccc1C[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000042436129 179268609 /nfs/dbraw/zinc/26/86/09/179268609.db2.gz GZDCIXWIQJYHHY-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000042436129 179268612 /nfs/dbraw/zinc/26/86/12/179268612.db2.gz GZDCIXWIQJYHHY-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)c[nH+]1 ZINC000591866975 347707255 /nfs/dbraw/zinc/70/72/55/347707255.db2.gz LHOYLXQLPFAVGE-KBPBESRZSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)c[nH+]1 ZINC000591866975 347707256 /nfs/dbraw/zinc/70/72/56/347707256.db2.gz LHOYLXQLPFAVGE-KBPBESRZSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)c[nH+]1 ZINC000591866977 347707264 /nfs/dbraw/zinc/70/72/64/347707264.db2.gz LHOYLXQLPFAVGE-UONOGXRCSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)c[nH+]1 ZINC000591866977 347707266 /nfs/dbraw/zinc/70/72/66/347707266.db2.gz LHOYLXQLPFAVGE-UONOGXRCSA-N 2 2 249.358 2.089 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000591866727 347707362 /nfs/dbraw/zinc/70/73/62/347707362.db2.gz DQCXOLIPHMGUFM-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000591866727 347707363 /nfs/dbraw/zinc/70/73/63/347707363.db2.gz DQCXOLIPHMGUFM-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123530729 179277266 /nfs/dbraw/zinc/27/72/66/179277266.db2.gz CMFDQSPARNJZKS-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123530729 179277270 /nfs/dbraw/zinc/27/72/70/179277270.db2.gz CMFDQSPARNJZKS-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000163687075 179281763 /nfs/dbraw/zinc/28/17/63/179281763.db2.gz PEUYXRCEWDUMME-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000163687075 179281765 /nfs/dbraw/zinc/28/17/65/179281765.db2.gz PEUYXRCEWDUMME-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000061989161 179289071 /nfs/dbraw/zinc/28/90/71/179289071.db2.gz HNFBPYLOHAUOFT-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000061989161 179289073 /nfs/dbraw/zinc/28/90/73/179289073.db2.gz HNFBPYLOHAUOFT-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccccc1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765004 179282699 /nfs/dbraw/zinc/28/26/99/179282699.db2.gz NXYMQABXAXQNMH-UHFFFAOYSA-N 2 2 201.273 2.008 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000035274983 179282931 /nfs/dbraw/zinc/28/29/31/179282931.db2.gz NREOFFWWJAKJBZ-ZDUSSCGKSA-N 2 2 229.327 2.370 20 0 BEADLP CC[C@H]([NH3+])CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000082579360 347858433 /nfs/dbraw/zinc/85/84/33/347858433.db2.gz KSFPBFMCIPEGMB-JTQLQIEISA-N 2 2 222.336 2.058 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042544512 179323183 /nfs/dbraw/zinc/32/31/83/179323183.db2.gz BSPXSDDJBJPGJS-OLZOCXBDSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042544512 179323187 /nfs/dbraw/zinc/32/31/87/179323187.db2.gz BSPXSDDJBJPGJS-OLZOCXBDSA-N 2 2 218.344 2.350 20 0 BEADLP CSCC1(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000594963598 348145655 /nfs/dbraw/zinc/14/56/55/348145655.db2.gz RWULWNYIQQEDSV-NEPJUHHUSA-N 2 2 242.432 2.059 20 0 BEADLP CSCC1(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000594963598 348145657 /nfs/dbraw/zinc/14/56/57/348145657.db2.gz RWULWNYIQQEDSV-NEPJUHHUSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H](CSCCF)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000595009840 348159859 /nfs/dbraw/zinc/15/98/59/348159859.db2.gz DQIQVNDWWIPJON-GHMZBOCLSA-N 2 2 248.411 2.150 20 0 BEADLP C[C@H](CSCCF)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000595009840 348159862 /nfs/dbraw/zinc/15/98/62/348159862.db2.gz DQIQVNDWWIPJON-GHMZBOCLSA-N 2 2 248.411 2.150 20 0 BEADLP Cc1cccnc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000272807937 179381664 /nfs/dbraw/zinc/38/16/64/179381664.db2.gz BVMXJGFTZYUOCC-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093178635 179374247 /nfs/dbraw/zinc/37/42/47/179374247.db2.gz YBXOVNARLIMNTB-ZIAGYGMSSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093178635 179374248 /nfs/dbraw/zinc/37/42/48/179374248.db2.gz YBXOVNARLIMNTB-ZIAGYGMSSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093178635 179374249 /nfs/dbraw/zinc/37/42/49/179374249.db2.gz YBXOVNARLIMNTB-ZIAGYGMSSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093178635 179374251 /nfs/dbraw/zinc/37/42/51/179374251.db2.gz YBXOVNARLIMNTB-ZIAGYGMSSA-N 2 2 247.386 2.305 20 0 BEADLP CC[C@@](C)(C[NH2+]CCc1cc[nH+]cc1C)OC ZINC000397523035 362891372 /nfs/dbraw/zinc/89/13/72/362891372.db2.gz JZSWPRSPPWHZRV-AWEZNQCLSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419382985 192133934 /nfs/dbraw/zinc/13/39/34/192133934.db2.gz ZPWFOLCXXOJTFB-SRVKXCTJSA-N 2 2 221.348 2.168 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419382985 192133936 /nfs/dbraw/zinc/13/39/36/192133936.db2.gz ZPWFOLCXXOJTFB-SRVKXCTJSA-N 2 2 221.348 2.168 20 0 BEADLP CSC[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000597021815 348651235 /nfs/dbraw/zinc/65/12/35/348651235.db2.gz SKIDNAMYHMHGGL-LLVKDONJSA-N 2 2 239.388 2.056 20 0 BEADLP CSC[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000597021815 348651236 /nfs/dbraw/zinc/65/12/36/348651236.db2.gz SKIDNAMYHMHGGL-LLVKDONJSA-N 2 2 239.388 2.056 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000161193342 323196113 /nfs/dbraw/zinc/19/61/13/323196113.db2.gz NSXOWJNKSFOQRK-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cscn1 ZINC000161193342 323196114 /nfs/dbraw/zinc/19/61/14/323196114.db2.gz NSXOWJNKSFOQRK-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H]1CC([NH2+]CC[NH+]2CCCC2)C[C@H](C)C1 ZINC000082829492 348820418 /nfs/dbraw/zinc/82/04/18/348820418.db2.gz LSDWTKAXGKDDTA-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178424630 535085317 /nfs/dbraw/zinc/08/53/17/535085317.db2.gz HSVBMVIOOUYKIK-CYBMUJFWSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000178424630 535085323 /nfs/dbraw/zinc/08/53/23/535085323.db2.gz HSVBMVIOOUYKIK-CYBMUJFWSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000250772099 538025208 /nfs/dbraw/zinc/02/52/08/538025208.db2.gz TZJBPERYLMSXRB-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000250772099 538025211 /nfs/dbraw/zinc/02/52/11/538025211.db2.gz TZJBPERYLMSXRB-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccncc1Cl ZINC000421800461 192384379 /nfs/dbraw/zinc/38/43/79/192384379.db2.gz HKJWEDKASGNYMW-SNVBAGLBSA-N 2 2 241.766 2.337 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CCCCC1 ZINC000421824168 192386533 /nfs/dbraw/zinc/38/65/33/192386533.db2.gz HJEMPFOCBCIBHF-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1nccs1 ZINC000070733512 490236666 /nfs/dbraw/zinc/23/66/66/490236666.db2.gz YWAAHHBUVMRITG-VIFPVBQESA-N 2 2 225.361 2.065 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[NH+]2CCCC2)CC1 ZINC000309128043 350078662 /nfs/dbraw/zinc/07/86/62/350078662.db2.gz QJJUOMKXYJLNCM-CYBMUJFWSA-N 2 2 208.349 2.171 20 0 BEADLP CC(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131987145 191019183 /nfs/dbraw/zinc/01/91/83/191019183.db2.gz BAFIKFJVWDEZKU-RYUDHWBXSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131987145 191019185 /nfs/dbraw/zinc/01/91/85/191019185.db2.gz BAFIKFJVWDEZKU-RYUDHWBXSA-N 2 2 210.365 2.247 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000132138501 191025904 /nfs/dbraw/zinc/02/59/04/191025904.db2.gz MTEAFTDUOKWXHB-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000132138501 191025907 /nfs/dbraw/zinc/02/59/07/191025907.db2.gz MTEAFTDUOKWXHB-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132196393 191027229 /nfs/dbraw/zinc/02/72/29/191027229.db2.gz KXHWHGHGDWIPCA-SDDRHHMPSA-N 2 2 210.365 2.246 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132196393 191027233 /nfs/dbraw/zinc/02/72/33/191027233.db2.gz KXHWHGHGDWIPCA-SDDRHHMPSA-N 2 2 210.365 2.246 20 0 BEADLP Cc1nc(N[C@@H](C)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000286292126 180070248 /nfs/dbraw/zinc/07/02/48/180070248.db2.gz FOWCFMLUMRWJIK-JTQLQIEISA-N 2 2 248.374 2.026 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCC1 ZINC000304482160 350160270 /nfs/dbraw/zinc/16/02/70/350160270.db2.gz BCRKPFSQKWTZCY-XQQFMLRXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304556192 350162939 /nfs/dbraw/zinc/16/29/39/350162939.db2.gz KRPSYXSZWCOBNW-FQUUOJAGSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304556192 350162943 /nfs/dbraw/zinc/16/29/43/350162943.db2.gz KRPSYXSZWCOBNW-FQUUOJAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCCC12CC[NH+](C/C=C/Cl)CC2 ZINC000363680088 191064661 /nfs/dbraw/zinc/06/46/61/191064661.db2.gz SSGAUCFCESKQHD-XVNBXDOJSA-N 2 2 228.767 2.299 20 0 BEADLP C[N@H+]1CCCC12CC[NH+](C/C=C/Cl)CC2 ZINC000363680088 191064663 /nfs/dbraw/zinc/06/46/63/191064663.db2.gz SSGAUCFCESKQHD-XVNBXDOJSA-N 2 2 228.767 2.299 20 0 BEADLP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000227036618 180144687 /nfs/dbraw/zinc/14/46/87/180144687.db2.gz LNWPUJVNDLVFJM-CABZTGNLSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])s1 ZINC000227036618 180144690 /nfs/dbraw/zinc/14/46/90/180144690.db2.gz LNWPUJVNDLVFJM-CABZTGNLSA-N 2 2 239.388 2.153 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422738493 192449678 /nfs/dbraw/zinc/44/96/78/192449678.db2.gz JKPQBGQYOIVSRB-GXTWGEPZSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1nc(NCC2([NH+](C)C)CCCCC2)cc[nH+]1 ZINC000266125810 180197336 /nfs/dbraw/zinc/19/73/36/180197336.db2.gz BKNBGRUSFJZDGI-UHFFFAOYSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NC2CC[NH+](C3CCC3)CC2)cc[nH+]1 ZINC000296016897 180198640 /nfs/dbraw/zinc/19/86/40/180198640.db2.gz NWTVRYNMWJXAAH-UHFFFAOYSA-N 2 2 246.358 2.214 20 0 BEADLP Cc1nc(NCC[C@@H](C)[NH+]2CCCCC2)cc[nH+]1 ZINC000182340451 180198658 /nfs/dbraw/zinc/19/86/58/180198658.db2.gz RJLPGBGEUXZXKP-GFCCVEGCSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NCC[N@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000266459690 180199320 /nfs/dbraw/zinc/19/93/20/180199320.db2.gz YPFMIUSLCUUOAW-LLVKDONJSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(NCC[N@@H+]2CCCC[C@H]2C)cc[nH+]1 ZINC000266459690 180199322 /nfs/dbraw/zinc/19/93/22/180199322.db2.gz YPFMIUSLCUUOAW-LLVKDONJSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc[nH+]1 ZINC000266413942 180201181 /nfs/dbraw/zinc/20/11/81/180201181.db2.gz QXBSJBRLBMJSNN-ZDUSSCGKSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@@H]2CCC[N@H+](C(C)C)C2)cc[nH+]1 ZINC000266413942 180201184 /nfs/dbraw/zinc/20/11/84/180201184.db2.gz QXBSJBRLBMJSNN-ZDUSSCGKSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C(C)C ZINC000346276572 180250078 /nfs/dbraw/zinc/25/00/78/180250078.db2.gz LEZQZTHCTYRSDF-ZDUSSCGKSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C(C)C ZINC000346276572 180250081 /nfs/dbraw/zinc/25/00/81/180250081.db2.gz LEZQZTHCTYRSDF-ZDUSSCGKSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289847035 180250574 /nfs/dbraw/zinc/25/05/74/180250574.db2.gz PMUZHRNRZYTIIE-JTQLQIEISA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289847035 180250577 /nfs/dbraw/zinc/25/05/77/180250577.db2.gz PMUZHRNRZYTIIE-JTQLQIEISA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000271477310 180251079 /nfs/dbraw/zinc/25/10/79/180251079.db2.gz GQOAIQNCRXTEKQ-LBPRGKRZSA-N 2 2 244.342 2.280 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000271477310 180251081 /nfs/dbraw/zinc/25/10/81/180251081.db2.gz GQOAIQNCRXTEKQ-LBPRGKRZSA-N 2 2 244.342 2.280 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000336346076 180254238 /nfs/dbraw/zinc/25/42/38/180254238.db2.gz RIIXHZRVRBXVNE-CHWSQXEVSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000336346076 180254240 /nfs/dbraw/zinc/25/42/40/180254240.db2.gz RIIXHZRVRBXVNE-CHWSQXEVSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCc2occc2C1 ZINC000288769684 180255283 /nfs/dbraw/zinc/25/52/83/180255283.db2.gz JPCYKLDOPIJNPV-UHFFFAOYSA-N 2 2 245.326 2.233 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCc2occc2C1 ZINC000288769684 180255286 /nfs/dbraw/zinc/25/52/86/180255286.db2.gz JPCYKLDOPIJNPV-UHFFFAOYSA-N 2 2 245.326 2.233 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC(C)(C)C1 ZINC000270826558 180255800 /nfs/dbraw/zinc/25/58/00/180255800.db2.gz BZDOQHRMZGAMDA-UHFFFAOYSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCSC(C)(C)C1 ZINC000270826558 180255802 /nfs/dbraw/zinc/25/58/02/180255802.db2.gz BZDOQHRMZGAMDA-UHFFFAOYSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000270910278 180256255 /nfs/dbraw/zinc/25/62/55/180256255.db2.gz SSQPOHLSMOJYGA-QWRGUYRKSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000270910278 180256257 /nfs/dbraw/zinc/25/62/57/180256257.db2.gz SSQPOHLSMOJYGA-QWRGUYRKSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000270788248 180256919 /nfs/dbraw/zinc/25/69/19/180256919.db2.gz BRQKMTKEBQYYHY-LBPRGKRZSA-N 2 2 244.342 2.070 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cccc2[C@@H]1C ZINC000270788248 180256921 /nfs/dbraw/zinc/25/69/21/180256921.db2.gz BRQKMTKEBQYYHY-LBPRGKRZSA-N 2 2 244.342 2.070 20 0 BEADLP Cc1[nH+]ccn1CCc1[nH+]c2ccccc2n1C ZINC000265501446 180261274 /nfs/dbraw/zinc/26/12/74/180261274.db2.gz NBONVXJHJHVBNX-UHFFFAOYSA-N 2 2 240.310 2.321 20 0 BEADLP Cc1ccncc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000162689143 350319783 /nfs/dbraw/zinc/31/97/83/350319783.db2.gz GGOYWEKYOHZCKR-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccncc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000162689143 350319786 /nfs/dbraw/zinc/31/97/86/350319786.db2.gz GGOYWEKYOHZCKR-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000309129062 323319167 /nfs/dbraw/zinc/31/91/67/323319167.db2.gz QQRSGEGEHREBSF-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000309129062 323319171 /nfs/dbraw/zinc/31/91/71/323319171.db2.gz QQRSGEGEHREBSF-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000163284587 350514603 /nfs/dbraw/zinc/51/46/03/350514603.db2.gz JKWGQZZWPMLEIE-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000163284587 350514608 /nfs/dbraw/zinc/51/46/08/350514608.db2.gz JKWGQZZWPMLEIE-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000163341140 350516252 /nfs/dbraw/zinc/51/62/52/350516252.db2.gz FJKILKMEAFUCKD-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000163341140 350516256 /nfs/dbraw/zinc/51/62/56/350516256.db2.gz FJKILKMEAFUCKD-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C ZINC000577505979 365973122 /nfs/dbraw/zinc/97/31/22/365973122.db2.gz RYYXVXUWLVIYHE-OLZOCXBDSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C ZINC000577505979 365973125 /nfs/dbraw/zinc/97/31/25/365973125.db2.gz RYYXVXUWLVIYHE-OLZOCXBDSA-N 2 2 235.375 2.331 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC000623786830 362965099 /nfs/dbraw/zinc/96/50/99/362965099.db2.gz LHJBDLBATPECRO-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC000623786830 362965105 /nfs/dbraw/zinc/96/51/05/362965105.db2.gz LHJBDLBATPECRO-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP CC1(C)CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070629011 350553216 /nfs/dbraw/zinc/55/32/16/350553216.db2.gz JYVRZRATQJIZGZ-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000397838870 350982552 /nfs/dbraw/zinc/98/25/52/350982552.db2.gz PPAJBHNCFZZBKC-WCQYABFASA-N 2 2 236.384 2.416 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000252711140 538099831 /nfs/dbraw/zinc/09/98/31/538099831.db2.gz IQSAQDPZYMVFKO-SCRDCRAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000252711140 538099832 /nfs/dbraw/zinc/09/98/32/538099832.db2.gz IQSAQDPZYMVFKO-SCRDCRAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252713280 538100085 /nfs/dbraw/zinc/10/00/85/538100085.db2.gz OSXUCEAXSCLGOA-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252713280 538100087 /nfs/dbraw/zinc/10/00/87/538100087.db2.gz OSXUCEAXSCLGOA-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(C)n1 ZINC000267529460 351312462 /nfs/dbraw/zinc/31/24/62/351312462.db2.gz PQFWWRTUGGVHGW-CYBMUJFWSA-N 2 2 248.374 2.380 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(C)n1 ZINC000267529460 351312467 /nfs/dbraw/zinc/31/24/67/351312467.db2.gz PQFWWRTUGGVHGW-CYBMUJFWSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)o1 ZINC000631243249 351320232 /nfs/dbraw/zinc/32/02/32/351320232.db2.gz XNUQTWPBSMIHLG-UHFFFAOYSA-N 2 2 231.299 2.021 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631643213 351383511 /nfs/dbraw/zinc/38/35/11/351383511.db2.gz ZAPAFYVIBMTCNI-SWLSCSKDSA-N 2 2 245.370 2.143 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631643213 351383517 /nfs/dbraw/zinc/38/35/17/351383517.db2.gz ZAPAFYVIBMTCNI-SWLSCSKDSA-N 2 2 245.370 2.143 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987302 351403724 /nfs/dbraw/zinc/40/37/24/351403724.db2.gz YOHBDVNKHVUXCV-OCCSQVGLSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987302 351403727 /nfs/dbraw/zinc/40/37/27/351403727.db2.gz YOHBDVNKHVUXCV-OCCSQVGLSA-N 2 2 218.344 2.259 20 0 BEADLP CC(C)[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000404417367 351431775 /nfs/dbraw/zinc/43/17/75/351431775.db2.gz FRINILTXMXIVEL-UHFFFAOYSA-N 2 2 239.388 2.106 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336727865 351547239 /nfs/dbraw/zinc/54/72/39/351547239.db2.gz GXIBLKKTYONVOZ-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336727865 351547243 /nfs/dbraw/zinc/54/72/43/351547243.db2.gz GXIBLKKTYONVOZ-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ncc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000577741838 366048839 /nfs/dbraw/zinc/04/88/39/366048839.db2.gz GUBVWOFUGBSGLI-ZJUUUORDSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1ncc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)s1 ZINC000577741838 366048846 /nfs/dbraw/zinc/04/88/46/366048846.db2.gz GUBVWOFUGBSGLI-ZJUUUORDSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)c(C)c1 ZINC000577768226 366057980 /nfs/dbraw/zinc/05/79/80/366057980.db2.gz YPEGHNNCTGSGKI-UHFFFAOYSA-N 2 2 232.371 2.486 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000036996843 358465934 /nfs/dbraw/zinc/46/59/34/358465934.db2.gz SQYDKVRHQXZCJM-AEGPPILISA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000036996843 358465936 /nfs/dbraw/zinc/46/59/36/358465936.db2.gz SQYDKVRHQXZCJM-AEGPPILISA-N 2 2 245.370 2.359 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC1 ZINC000577822538 366071116 /nfs/dbraw/zinc/07/11/16/366071116.db2.gz YQKBMHDXPGHCMO-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC1 ZINC000577822538 366071119 /nfs/dbraw/zinc/07/11/19/366071119.db2.gz YQKBMHDXPGHCMO-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CCC[C@@H]3CCO3)CC2)[nH]1 ZINC000637988524 351863136 /nfs/dbraw/zinc/86/31/36/351863136.db2.gz XVGMYDSGXVXUCE-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccns2)CC[N@@H+]1C ZINC000638118483 351992898 /nfs/dbraw/zinc/99/28/98/351992898.db2.gz ZPWBWVJNDINXOK-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccns2)CC[N@H+]1C ZINC000638118483 351992901 /nfs/dbraw/zinc/99/29/01/351992901.db2.gz ZPWBWVJNDINXOK-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118483 351992903 /nfs/dbraw/zinc/99/29/03/351992903.db2.gz ZPWBWVJNDINXOK-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118483 351992906 /nfs/dbraw/zinc/99/29/06/351992906.db2.gz ZPWBWVJNDINXOK-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccns2)CC[N@@H+]1C ZINC000638118484 351993275 /nfs/dbraw/zinc/99/32/75/351993275.db2.gz ZPWBWVJNDINXOK-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccns2)CC[N@H+]1C ZINC000638118484 351993278 /nfs/dbraw/zinc/99/32/78/351993278.db2.gz ZPWBWVJNDINXOK-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118484 351993280 /nfs/dbraw/zinc/99/32/80/351993280.db2.gz ZPWBWVJNDINXOK-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118484 351993281 /nfs/dbraw/zinc/99/32/81/351993281.db2.gz ZPWBWVJNDINXOK-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP CCc1nc(N[C@@H](C)Cn2cc[nH+]c2)cc(C)[nH+]1 ZINC000286204051 352080879 /nfs/dbraw/zinc/08/08/79/352080879.db2.gz RUAUMCDEKRGSPC-NSHDSACASA-N 2 2 245.330 2.045 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC1(F)F ZINC000638363134 352173231 /nfs/dbraw/zinc/17/32/31/352173231.db2.gz JCLSTRRGXNVPAN-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(F)F ZINC000638363134 352173234 /nfs/dbraw/zinc/17/32/34/352173234.db2.gz JCLSTRRGXNVPAN-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638363509 352173995 /nfs/dbraw/zinc/17/39/95/352173995.db2.gz NOCVAHOGJBGYQX-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638363509 352173997 /nfs/dbraw/zinc/17/39/97/352173997.db2.gz NOCVAHOGJBGYQX-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)OC ZINC000638363929 352177128 /nfs/dbraw/zinc/17/71/28/352177128.db2.gz SXNYZOAUBLMHBF-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)OC ZINC000638363929 352177129 /nfs/dbraw/zinc/17/71/29/352177129.db2.gz SXNYZOAUBLMHBF-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H](C)OC ZINC000291046565 352257012 /nfs/dbraw/zinc/25/70/12/352257012.db2.gz HKARKPWHIUOTCL-LBPRGKRZSA-N 2 2 247.342 2.191 20 0 BEADLP CC[N@H+](Cc1cccc2[nH+]ccn21)C[C@H](C)OC ZINC000291046565 352257014 /nfs/dbraw/zinc/25/70/14/352257014.db2.gz HKARKPWHIUOTCL-LBPRGKRZSA-N 2 2 247.342 2.191 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC(CCF)CC2)n1C ZINC000630073003 363156324 /nfs/dbraw/zinc/15/63/24/363156324.db2.gz OTOVWIRACSVRAM-UHFFFAOYSA-N 2 2 239.338 2.300 20 0 BEADLP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000638443374 352253138 /nfs/dbraw/zinc/25/31/38/352253138.db2.gz LUDBUAFGKBJJAW-ZDUSSCGKSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000638443374 352253143 /nfs/dbraw/zinc/25/31/43/352253143.db2.gz LUDBUAFGKBJJAW-ZDUSSCGKSA-N 2 2 248.370 2.187 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CC1(C(C)C)CC1 ZINC000638478174 352286647 /nfs/dbraw/zinc/28/66/47/352286647.db2.gz SNVMVQFZGILLDX-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CC1(C(C)C)CC1 ZINC000638478174 352286652 /nfs/dbraw/zinc/28/66/52/352286652.db2.gz SNVMVQFZGILLDX-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000638478864 352289892 /nfs/dbraw/zinc/28/98/92/352289892.db2.gz RBIZDUCXQWJVRF-CLLJXQQHSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000638478864 352289893 /nfs/dbraw/zinc/28/98/93/352289893.db2.gz RBIZDUCXQWJVRF-CLLJXQQHSA-N 2 2 222.376 2.106 20 0 BEADLP CC[NH+]1CCC(CNc2cccc[nH+]2)CC1 ZINC000044526337 352351578 /nfs/dbraw/zinc/35/15/78/352351578.db2.gz QCAVLKVWDZSCHI-UHFFFAOYSA-N 2 2 219.332 2.225 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340468169 352379211 /nfs/dbraw/zinc/37/92/11/352379211.db2.gz JUAULUHAKKTVKD-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340468169 352379214 /nfs/dbraw/zinc/37/92/14/352379214.db2.gz JUAULUHAKKTVKD-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340478788 352383775 /nfs/dbraw/zinc/38/37/75/352383775.db2.gz MGNSCMZGLSBDDD-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340478788 352383778 /nfs/dbraw/zinc/38/37/78/352383778.db2.gz MGNSCMZGLSBDDD-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638605851 352441233 /nfs/dbraw/zinc/44/12/33/352441233.db2.gz VFQOKTWOVGEYNN-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638605851 352441237 /nfs/dbraw/zinc/44/12/37/352441237.db2.gz VFQOKTWOVGEYNN-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP C([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582506 352413596 /nfs/dbraw/zinc/41/35/96/352413596.db2.gz PBOYNYHRGHNYQG-WCVJEAGWSA-N 2 2 248.414 2.497 20 0 BEADLP C([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582506 352413599 /nfs/dbraw/zinc/41/35/99/352413599.db2.gz PBOYNYHRGHNYQG-WCVJEAGWSA-N 2 2 248.414 2.497 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638604932 352439500 /nfs/dbraw/zinc/43/95/00/352439500.db2.gz IERIETVTSSXUAQ-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638604932 352439501 /nfs/dbraw/zinc/43/95/01/352439501.db2.gz IERIETVTSSXUAQ-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@H+](C)C1CC1 ZINC000638575150 352402126 /nfs/dbraw/zinc/40/21/26/352402126.db2.gz LSSOVKMJLRRTOK-ATZCPNFKSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+](C)C1CC1 ZINC000638575150 352402130 /nfs/dbraw/zinc/40/21/30/352402130.db2.gz LSSOVKMJLRRTOK-ATZCPNFKSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC000638708959 352545169 /nfs/dbraw/zinc/54/51/69/352545169.db2.gz PGPQCHGZGGSKTI-PWSUYJOCSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@H+]1C ZINC000638708959 352545173 /nfs/dbraw/zinc/54/51/73/352545173.db2.gz PGPQCHGZGGSKTI-PWSUYJOCSA-N 2 2 249.358 2.124 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044539919 352654719 /nfs/dbraw/zinc/65/47/19/352654719.db2.gz QJEWFETVQRAPAL-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCOc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044539919 352654720 /nfs/dbraw/zinc/65/47/20/352654720.db2.gz QJEWFETVQRAPAL-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP COC1([C@H](C)[NH2+]CC[NH+]2CCCCC2)CCC1 ZINC000412020929 191238340 /nfs/dbraw/zinc/23/83/40/191238340.db2.gz KXALFSZZLXPXQV-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP COc1cccc(C)c1C[NH2+]CC[NH+]1CCCC1 ZINC000638863795 353037965 /nfs/dbraw/zinc/03/79/65/353037965.db2.gz NKCNFLACGOIEKP-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336755960 188000638 /nfs/dbraw/zinc/00/06/38/188000638.db2.gz JCURRPOCHQTJCC-NWDGAFQWSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336755960 188000640 /nfs/dbraw/zinc/00/06/40/188000640.db2.gz JCURRPOCHQTJCC-NWDGAFQWSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336755962 188000660 /nfs/dbraw/zinc/00/06/60/188000660.db2.gz JCURRPOCHQTJCC-VXGBXAGGSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336755962 188000662 /nfs/dbraw/zinc/00/06/62/188000662.db2.gz JCURRPOCHQTJCC-VXGBXAGGSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125761 188005963 /nfs/dbraw/zinc/00/59/63/188005963.db2.gz FHGQRKPPLGFPCW-LLVKDONJSA-N 2 2 200.370 2.351 20 0 BEADLP Cc1ccc(CC[C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000276509439 188029109 /nfs/dbraw/zinc/02/91/09/188029109.db2.gz SVMLGRPDDLNXRL-CQSZACIVSA-N 2 2 234.387 2.467 20 0 BEADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)[nH]1 ZINC000278279616 188030766 /nfs/dbraw/zinc/03/07/66/188030766.db2.gz SWAIWAZHLQUZKA-ZDUSSCGKSA-N 2 2 247.342 2.282 20 0 BEADLP CC(C)C(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290238802 188036259 /nfs/dbraw/zinc/03/62/59/188036259.db2.gz JCAKOXICZSMEGO-UHFFFAOYSA-N 2 2 249.358 2.204 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000336631147 188058520 /nfs/dbraw/zinc/05/85/20/188058520.db2.gz NUHQOLDHRGJWHN-VTXSZYRJSA-N 2 2 245.370 2.431 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000336631147 188058522 /nfs/dbraw/zinc/05/85/22/188058522.db2.gz NUHQOLDHRGJWHN-VTXSZYRJSA-N 2 2 245.370 2.431 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000336756215 353153114 /nfs/dbraw/zinc/15/31/14/353153114.db2.gz GVDFBPVTNLVFDX-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000336756215 353153115 /nfs/dbraw/zinc/15/31/15/353153115.db2.gz GVDFBPVTNLVFDX-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336767448 353272112 /nfs/dbraw/zinc/27/21/12/353272112.db2.gz SLDAGQXHQMOPOE-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP Cc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)on1 ZINC000354536777 188235644 /nfs/dbraw/zinc/23/56/44/188235644.db2.gz CMPPKQBCLZGEQR-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP CC(C)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000221588870 188253382 /nfs/dbraw/zinc/25/33/82/188253382.db2.gz NPHORYNMMQIPQJ-UHFFFAOYSA-N 2 2 244.342 2.093 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000336595269 188256258 /nfs/dbraw/zinc/25/62/58/188256258.db2.gz KKBSNZXOTHTNGO-JSGCOSHPSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000336595269 188256260 /nfs/dbraw/zinc/25/62/60/188256260.db2.gz KKBSNZXOTHTNGO-JSGCOSHPSA-N 2 2 218.344 2.035 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157791 188279671 /nfs/dbraw/zinc/27/96/71/188279671.db2.gz NDPSPFHHUJWEAY-NWDGAFQWSA-N 2 2 209.337 2.296 20 0 BEADLP F[C@H]1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000334502594 353342743 /nfs/dbraw/zinc/34/27/43/353342743.db2.gz FIFADGXPSAVRSQ-WDEREUQCSA-N 2 2 233.290 2.315 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1CCCCCC1 ZINC000020126746 188351503 /nfs/dbraw/zinc/35/15/03/188351503.db2.gz OKHJLJQUIYGCFP-UHFFFAOYSA-N 2 2 210.365 2.395 20 0 BEADLP c1[nH+]cn2c1C[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000291436674 188390313 /nfs/dbraw/zinc/39/03/13/188390313.db2.gz BPCIARGWEQETSZ-LBPRGKRZSA-N 2 2 217.316 2.055 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC000291436674 188390315 /nfs/dbraw/zinc/39/03/15/188390315.db2.gz BPCIARGWEQETSZ-LBPRGKRZSA-N 2 2 217.316 2.055 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000297923352 188394673 /nfs/dbraw/zinc/39/46/73/188394673.db2.gz TXJQPRGVYBJRKC-CQSZACIVSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000297923352 188394675 /nfs/dbraw/zinc/39/46/75/188394675.db2.gz TXJQPRGVYBJRKC-CQSZACIVSA-N 2 2 244.342 2.128 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C)Cn1cc[nH+]c1 ZINC000165735458 353592050 /nfs/dbraw/zinc/59/20/50/353592050.db2.gz HTUYIGLQPQNNLR-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccns2)CC1 ZINC000639106202 353621087 /nfs/dbraw/zinc/62/10/87/353621087.db2.gz XAWQKKHYQHAUEQ-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccns2)CC1 ZINC000639106202 353621092 /nfs/dbraw/zinc/62/10/92/353621092.db2.gz XAWQKKHYQHAUEQ-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C(C)(C)C1 ZINC000343314417 353639038 /nfs/dbraw/zinc/63/90/38/353639038.db2.gz NHMDFZGZMHHYTR-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C(C)(C)C1 ZINC000343314417 353639040 /nfs/dbraw/zinc/63/90/40/353639040.db2.gz NHMDFZGZMHHYTR-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1csc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231463404 353605947 /nfs/dbraw/zinc/60/59/47/353605947.db2.gz YBAJZUSSAGJZKI-NSHDSACASA-N 2 2 239.388 2.025 20 0 BEADLP Cc1csc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231463404 353605948 /nfs/dbraw/zinc/60/59/48/353605948.db2.gz YBAJZUSSAGJZKI-NSHDSACASA-N 2 2 239.388 2.025 20 0 BEADLP CO[C@H](C)C[N@H+](CCCn1cc[nH+]c1)C(C)C ZINC000343323209 353698288 /nfs/dbraw/zinc/69/82/88/353698288.db2.gz UGLZRJXLFOUZHP-CYBMUJFWSA-N 2 2 239.363 2.019 20 0 BEADLP CO[C@H](C)C[N@@H+](CCCn1cc[nH+]c1)C(C)C ZINC000343323209 353698292 /nfs/dbraw/zinc/69/82/92/353698292.db2.gz UGLZRJXLFOUZHP-CYBMUJFWSA-N 2 2 239.363 2.019 20 0 BEADLP Fc1cccc2c1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000157864824 181006399 /nfs/dbraw/zinc/00/63/99/181006399.db2.gz HTQJCFRSMKRMKY-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Fc1cccc2c1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000157864824 181006401 /nfs/dbraw/zinc/00/64/01/181006401.db2.gz HTQJCFRSMKRMKY-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP CCCOc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000233251828 353809046 /nfs/dbraw/zinc/80/90/46/353809046.db2.gz PTQOCEAYPABKKB-WFASDCNBSA-N 2 2 248.370 2.254 20 0 BEADLP CCCOc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000233251828 353809048 /nfs/dbraw/zinc/80/90/48/353809048.db2.gz PTQOCEAYPABKKB-WFASDCNBSA-N 2 2 248.370 2.254 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)ccc1F ZINC000334539988 353927990 /nfs/dbraw/zinc/92/79/90/353927990.db2.gz RIAMZFRJSXKLFW-BXUZGUMPSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)ccc1F ZINC000334539988 353927991 /nfs/dbraw/zinc/92/79/91/353927991.db2.gz RIAMZFRJSXKLFW-BXUZGUMPSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCOC2)c[nH+]1 ZINC000343644023 353951817 /nfs/dbraw/zinc/95/18/17/353951817.db2.gz WALDIRRHGVQWTD-HIFRSBDPSA-N 2 2 248.370 2.337 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000230394215 363304680 /nfs/dbraw/zinc/30/46/80/363304680.db2.gz LVHWUHQRUHRZEM-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000230394215 363304685 /nfs/dbraw/zinc/30/46/85/363304685.db2.gz LVHWUHQRUHRZEM-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000334565249 354085265 /nfs/dbraw/zinc/08/52/65/354085265.db2.gz WIIZWCAQZHLBGD-LBPRGKRZSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000334565249 354085266 /nfs/dbraw/zinc/08/52/66/354085266.db2.gz WIIZWCAQZHLBGD-LBPRGKRZSA-N 2 2 235.375 2.331 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000343888713 354051152 /nfs/dbraw/zinc/05/11/52/354051152.db2.gz KFJNQNHDAPWGPO-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000343888713 354051156 /nfs/dbraw/zinc/05/11/56/354051156.db2.gz KFJNQNHDAPWGPO-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000344457069 354264109 /nfs/dbraw/zinc/26/41/09/354264109.db2.gz INOYGFZLPSVEEJ-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000344457069 354264111 /nfs/dbraw/zinc/26/41/11/354264111.db2.gz INOYGFZLPSVEEJ-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000344346089 354236830 /nfs/dbraw/zinc/23/68/30/354236830.db2.gz GDAKOBYZJQGANE-INWMFGNUSA-N 2 2 244.382 2.256 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000344346089 354236834 /nfs/dbraw/zinc/23/68/34/354236834.db2.gz GDAKOBYZJQGANE-INWMFGNUSA-N 2 2 244.382 2.256 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334647412 354437696 /nfs/dbraw/zinc/43/76/96/354437696.db2.gz MKKUMTQNMZJBQP-JTQLQIEISA-N 2 2 247.367 2.427 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334647412 354437700 /nfs/dbraw/zinc/43/77/00/354437700.db2.gz MKKUMTQNMZJBQP-JTQLQIEISA-N 2 2 247.367 2.427 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000334654504 354448160 /nfs/dbraw/zinc/44/81/60/354448160.db2.gz VVJRHSQAPKLWBG-YPMHNXCESA-N 2 2 208.349 2.027 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000334654504 354448163 /nfs/dbraw/zinc/44/81/63/354448163.db2.gz VVJRHSQAPKLWBG-YPMHNXCESA-N 2 2 208.349 2.027 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000346035301 354840667 /nfs/dbraw/zinc/84/06/67/354840667.db2.gz GAZIQLFVOKFPGJ-CYBMUJFWSA-N 2 2 240.391 2.149 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000346035301 354840670 /nfs/dbraw/zinc/84/06/70/354840670.db2.gz GAZIQLFVOKFPGJ-CYBMUJFWSA-N 2 2 240.391 2.149 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000335144492 354852257 /nfs/dbraw/zinc/85/22/57/354852257.db2.gz ILBFAYOPUVMNBU-LBPRGKRZSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000335144492 354852260 /nfs/dbraw/zinc/85/22/60/354852260.db2.gz ILBFAYOPUVMNBU-LBPRGKRZSA-N 2 2 245.326 2.311 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)[nH]1 ZINC000346448454 354944145 /nfs/dbraw/zinc/94/41/45/354944145.db2.gz SQXDPVLBXPGSLB-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)[nH]1 ZINC000346448454 354944148 /nfs/dbraw/zinc/94/41/48/354944148.db2.gz SQXDPVLBXPGSLB-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP c1[nH]cc(C2CC[NH+](CC[C@@H]3CCCO3)CC2)[nH+]1 ZINC000346447521 354944244 /nfs/dbraw/zinc/94/42/44/354944244.db2.gz RUIMTGHKUKDVJK-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346566071 354970217 /nfs/dbraw/zinc/97/02/17/354970217.db2.gz RNAOYIOAIHMMGE-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346566071 354970221 /nfs/dbraw/zinc/97/02/21/354970221.db2.gz RNAOYIOAIHMMGE-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346552004 354985058 /nfs/dbraw/zinc/98/50/58/354985058.db2.gz HXOTYSJUKRJZQB-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346552004 354985062 /nfs/dbraw/zinc/98/50/62/354985062.db2.gz HXOTYSJUKRJZQB-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335182463 355080176 /nfs/dbraw/zinc/08/01/76/355080176.db2.gz UFMNLUMNYJSTNL-WFASDCNBSA-N 2 2 245.370 2.275 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000335213453 355051111 /nfs/dbraw/zinc/05/11/11/355051111.db2.gz AYBWZMDSPLAJDV-JSGCOSHPSA-N 2 2 218.344 2.316 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346804317 355109002 /nfs/dbraw/zinc/10/90/02/355109002.db2.gz HARHBIJONVJKMV-RDBSUJKOSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346804317 355109005 /nfs/dbraw/zinc/10/90/05/355109005.db2.gz HARHBIJONVJKMV-RDBSUJKOSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000040502656 358494410 /nfs/dbraw/zinc/49/44/10/358494410.db2.gz QMHAHBIYWNGNCR-OAHLLOKOSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000040502656 358494414 /nfs/dbraw/zinc/49/44/14/358494414.db2.gz QMHAHBIYWNGNCR-OAHLLOKOSA-N 2 2 244.382 2.228 20 0 BEADLP COC[C@H](C)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000347637392 355243779 /nfs/dbraw/zinc/24/37/79/355243779.db2.gz LAAOXAFOYVSCAS-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP COC[C@H](C)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000347637392 355243782 /nfs/dbraw/zinc/24/37/82/355243782.db2.gz LAAOXAFOYVSCAS-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP CC(C)c1nc(NC(C)(C)C[NH+](C)C)cc[nH+]1 ZINC000413352838 191374214 /nfs/dbraw/zinc/37/42/14/191374214.db2.gz DAARYYFOMAEMRV-UHFFFAOYSA-N 2 2 236.363 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000639305773 355670187 /nfs/dbraw/zinc/67/01/87/355670187.db2.gz WZSBJIDOAHHZAS-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000639305773 355670189 /nfs/dbraw/zinc/67/01/89/355670189.db2.gz WZSBJIDOAHHZAS-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639303220 355652782 /nfs/dbraw/zinc/65/27/82/355652782.db2.gz NYECCODFQCPNOW-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639303220 355652785 /nfs/dbraw/zinc/65/27/85/355652785.db2.gz NYECCODFQCPNOW-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639305115 355655877 /nfs/dbraw/zinc/65/58/77/355655877.db2.gz JUKWSTQJYPNSMH-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639305115 355655881 /nfs/dbraw/zinc/65/58/81/355655881.db2.gz JUKWSTQJYPNSMH-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000639330338 355746943 /nfs/dbraw/zinc/74/69/43/355746943.db2.gz NZGNPZHIDAMDSF-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000639330338 355746946 /nfs/dbraw/zinc/74/69/46/355746946.db2.gz NZGNPZHIDAMDSF-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000639330337 355747167 /nfs/dbraw/zinc/74/71/67/355747167.db2.gz NZGNPZHIDAMDSF-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000639330337 355747170 /nfs/dbraw/zinc/74/71/70/355747170.db2.gz NZGNPZHIDAMDSF-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639331455 355748768 /nfs/dbraw/zinc/74/87/68/355748768.db2.gz YKMGYTCWEPJROZ-GARJFASQSA-N 2 2 232.318 2.104 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639331455 355748771 /nfs/dbraw/zinc/74/87/71/355748771.db2.gz YKMGYTCWEPJROZ-GARJFASQSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000389168849 355754815 /nfs/dbraw/zinc/75/48/15/355754815.db2.gz NGUBNLUQYZFCLN-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000389168849 355754817 /nfs/dbraw/zinc/75/48/17/355754817.db2.gz NGUBNLUQYZFCLN-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000389168847 355754824 /nfs/dbraw/zinc/75/48/24/355754824.db2.gz NGUBNLUQYZFCLN-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000389168847 355754825 /nfs/dbraw/zinc/75/48/25/355754825.db2.gz NGUBNLUQYZFCLN-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000639343575 355786484 /nfs/dbraw/zinc/78/64/84/355786484.db2.gz LFAJGRXIROXCEX-NWDGAFQWSA-N 2 2 233.359 2.417 20 0 BEADLP C[C@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1C ZINC000639343575 355786486 /nfs/dbraw/zinc/78/64/86/355786486.db2.gz LFAJGRXIROXCEX-NWDGAFQWSA-N 2 2 233.359 2.417 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1F ZINC000216041922 355799533 /nfs/dbraw/zinc/79/95/33/355799533.db2.gz SKDAFQQLRFDGGE-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1F ZINC000216041922 355799535 /nfs/dbraw/zinc/79/95/35/355799535.db2.gz SKDAFQQLRFDGGE-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP Cc1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000608495573 355821639 /nfs/dbraw/zinc/82/16/39/355821639.db2.gz SODUGCPERSCXLD-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000608495573 355821642 /nfs/dbraw/zinc/82/16/42/355821642.db2.gz SODUGCPERSCXLD-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000185200860 535294575 /nfs/dbraw/zinc/29/45/75/535294575.db2.gz DVTHWXULNXUWMF-OLZOCXBDSA-N 2 2 237.347 2.093 20 0 BEADLP C[NH+](C)Cc1cnc(CNc2cccc[nH+]2)s1 ZINC000351625053 356034117 /nfs/dbraw/zinc/03/41/17/356034117.db2.gz SCENSGBUIXVBPF-UHFFFAOYSA-N 2 2 248.355 2.212 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639398488 356117884 /nfs/dbraw/zinc/11/78/84/356117884.db2.gz PYHYJEOWEVWSLP-OAHLLOKOSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639398488 356117887 /nfs/dbraw/zinc/11/78/87/356117887.db2.gz PYHYJEOWEVWSLP-OAHLLOKOSA-N 2 2 248.345 2.352 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC000351883062 356125142 /nfs/dbraw/zinc/12/51/42/356125142.db2.gz RYELWGTUKDBYPT-XQQFMLRXSA-N 2 2 228.355 2.293 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)F ZINC000351883062 356125145 /nfs/dbraw/zinc/12/51/45/356125145.db2.gz RYELWGTUKDBYPT-XQQFMLRXSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC000351883062 356125146 /nfs/dbraw/zinc/12/51/46/356125146.db2.gz RYELWGTUKDBYPT-XQQFMLRXSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC000351883062 356125149 /nfs/dbraw/zinc/12/51/49/356125149.db2.gz RYELWGTUKDBYPT-XQQFMLRXSA-N 2 2 228.355 2.293 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000336103184 134084096 /nfs/dbraw/zinc/08/40/96/134084096.db2.gz OFVLDTQVIFEPHB-QWHCGFSZSA-N 2 2 231.343 2.144 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@H]([NH2+]C)C2)c1 ZINC000420277036 192198187 /nfs/dbraw/zinc/19/81/87/192198187.db2.gz SSQFQHXGPUFZLM-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@H]([NH2+]C)C2)c1 ZINC000420277036 192198188 /nfs/dbraw/zinc/19/81/88/192198188.db2.gz SSQFQHXGPUFZLM-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420300876 192206610 /nfs/dbraw/zinc/20/66/10/192206610.db2.gz VLIPOSSDTZQQCQ-CYBMUJFWSA-N 2 2 238.400 2.365 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000420300876 192206612 /nfs/dbraw/zinc/20/66/12/192206612.db2.gz VLIPOSSDTZQQCQ-CYBMUJFWSA-N 2 2 238.400 2.365 20 0 BEADLP CSc1ccccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000420282732 192199273 /nfs/dbraw/zinc/19/92/73/192199273.db2.gz BHXUQATVRHOJJR-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000420282732 192199274 /nfs/dbraw/zinc/19/92/74/192199274.db2.gz BHXUQATVRHOJJR-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000420282733 192199425 /nfs/dbraw/zinc/19/94/25/192199425.db2.gz BHXUQATVRHOJJR-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000420282733 192199427 /nfs/dbraw/zinc/19/94/27/192199427.db2.gz BHXUQATVRHOJJR-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)n1 ZINC000420289977 192201098 /nfs/dbraw/zinc/20/10/98/192201098.db2.gz LAHJBDOTOJACKL-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)n1 ZINC000420289977 192201099 /nfs/dbraw/zinc/20/10/99/192201099.db2.gz LAHJBDOTOJACKL-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000420334788 192213844 /nfs/dbraw/zinc/21/38/44/192213844.db2.gz HUGNORQJWJMKPA-ZDUSSCGKSA-N 2 2 238.762 2.479 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000420334788 192213846 /nfs/dbraw/zinc/21/38/46/192213846.db2.gz HUGNORQJWJMKPA-ZDUSSCGKSA-N 2 2 238.762 2.479 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349698 192218045 /nfs/dbraw/zinc/21/80/45/192218045.db2.gz DRCSYLJLYHDPGE-KWBADKCTSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349698 192218047 /nfs/dbraw/zinc/21/80/47/192218047.db2.gz DRCSYLJLYHDPGE-KWBADKCTSA-N 2 2 222.307 2.308 20 0 BEADLP CCC(F)(F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000639518512 356362066 /nfs/dbraw/zinc/36/20/66/356362066.db2.gz IVRPDDQOJILVTF-VXGBXAGGSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000639518512 356362068 /nfs/dbraw/zinc/36/20/68/356362068.db2.gz IVRPDDQOJILVTF-VXGBXAGGSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000639518512 356362070 /nfs/dbraw/zinc/36/20/70/356362070.db2.gz IVRPDDQOJILVTF-VXGBXAGGSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000639518512 356362076 /nfs/dbraw/zinc/36/20/76/356362076.db2.gz IVRPDDQOJILVTF-VXGBXAGGSA-N 2 2 246.345 2.448 20 0 BEADLP Cc1csc([C@H]2CCCC[N@@H+]2CCC[NH3+])n1 ZINC000420308641 192211581 /nfs/dbraw/zinc/21/15/81/192211581.db2.gz DEJOEJWIPFWYCL-LLVKDONJSA-N 2 2 239.388 2.327 20 0 BEADLP Cc1csc([C@H]2CCCC[N@H+]2CCC[NH3+])n1 ZINC000420308641 192211583 /nfs/dbraw/zinc/21/15/83/192211583.db2.gz DEJOEJWIPFWYCL-LLVKDONJSA-N 2 2 239.388 2.327 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000420308021 192211789 /nfs/dbraw/zinc/21/17/89/192211789.db2.gz JPLZBOADMGPRIX-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000420308021 192211792 /nfs/dbraw/zinc/21/17/92/192211792.db2.gz JPLZBOADMGPRIX-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000639532161 356381753 /nfs/dbraw/zinc/38/17/53/356381753.db2.gz BIMFKAYCJCBTOX-XQQFMLRXSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000639532161 356381754 /nfs/dbraw/zinc/38/17/54/356381754.db2.gz BIMFKAYCJCBTOX-XQQFMLRXSA-N 2 2 249.358 2.014 20 0 BEADLP CCc1noc(C)c1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420367489 192225565 /nfs/dbraw/zinc/22/55/65/192225565.db2.gz SOAYYWQKFYXLNU-LBPRGKRZSA-N 2 2 239.363 2.008 20 0 BEADLP CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC000420383711 192235637 /nfs/dbraw/zinc/23/56/37/192235637.db2.gz ZWIDTFWBBXQIBL-GFCCVEGCSA-N 2 2 248.370 2.181 20 0 BEADLP CCCOc1ccc2c(c1)CC[N@H+](C[C@@H](C)[NH3+])C2 ZINC000420383711 192235638 /nfs/dbraw/zinc/23/56/38/192235638.db2.gz ZWIDTFWBBXQIBL-GFCCVEGCSA-N 2 2 248.370 2.181 20 0 BEADLP C[C@@H]1C[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420386145 192235697 /nfs/dbraw/zinc/23/56/97/192235697.db2.gz VCIAJHBWFFDFIY-KMUNFCNLSA-N 2 2 248.345 2.482 20 0 BEADLP C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420386145 192235699 /nfs/dbraw/zinc/23/56/99/192235699.db2.gz VCIAJHBWFFDFIY-KMUNFCNLSA-N 2 2 248.345 2.482 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000420408899 192239942 /nfs/dbraw/zinc/23/99/42/192239942.db2.gz QBPSIBWJZSPSDQ-HTQZYQBOSA-N 2 2 230.714 2.477 20 0 BEADLP CC(C)C[N@H+](CC[NH3+])[C@H]1CCCc2cccnc21 ZINC000420381031 192232657 /nfs/dbraw/zinc/23/26/57/192232657.db2.gz XGGXITIJZNDOCP-AWEZNQCLSA-N 2 2 247.386 2.376 20 0 BEADLP CC(C)C[N@@H+](CC[NH3+])[C@H]1CCCc2cccnc21 ZINC000420381031 192232659 /nfs/dbraw/zinc/23/26/59/192232659.db2.gz XGGXITIJZNDOCP-AWEZNQCLSA-N 2 2 247.386 2.376 20 0 BEADLP CC[C@H]1C[N@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@H]1O ZINC000639553725 356455220 /nfs/dbraw/zinc/45/52/20/356455220.db2.gz GZKTWAHOVKITFO-DZGCQCFKSA-N 2 2 248.370 2.210 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@H]1O ZINC000639553725 356455225 /nfs/dbraw/zinc/45/52/25/356455225.db2.gz GZKTWAHOVKITFO-DZGCQCFKSA-N 2 2 248.370 2.210 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1OC ZINC000216582949 356462861 /nfs/dbraw/zinc/46/28/61/356462861.db2.gz RGTRLSSVVRDAGC-VXGBXAGGSA-N 2 2 236.359 2.344 20 0 BEADLP Clc1c[nH+]ccc1N1CC[NH+]2CCC1CC2 ZINC000190275821 356437968 /nfs/dbraw/zinc/43/79/68/356437968.db2.gz WPOJAHYOWURPLC-UHFFFAOYSA-N 2 2 237.734 2.019 20 0 BEADLP CN(C[C@@H]1CCC[N@@H+]1C)c1[nH]c2ccccc2[nH+]1 ZINC000420643172 192253470 /nfs/dbraw/zinc/25/34/70/192253470.db2.gz WTNDITDRNMGTIF-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP CN(C[C@@H]1CCC[N@H+]1C)c1[nH]c2ccccc2[nH+]1 ZINC000420643172 192253471 /nfs/dbraw/zinc/25/34/71/192253471.db2.gz WTNDITDRNMGTIF-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP CN(C[C@H]1CCC[N@@H+]1C)c1[nH]c2ccccc2[nH+]1 ZINC000420643171 192254307 /nfs/dbraw/zinc/25/43/07/192254307.db2.gz WTNDITDRNMGTIF-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP CN(C[C@H]1CCC[N@H+]1C)c1[nH]c2ccccc2[nH+]1 ZINC000420643171 192254309 /nfs/dbraw/zinc/25/43/09/192254309.db2.gz WTNDITDRNMGTIF-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP C[C@H]([NH2+]C1(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422940223 192511313 /nfs/dbraw/zinc/51/13/13/192511313.db2.gz SNRIQKDXNRPKHM-GXTWGEPZSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423015748 192540399 /nfs/dbraw/zinc/54/03/99/192540399.db2.gz RKQCEVAQASCDRV-UGFHNGPFSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000380065472 538464767 /nfs/dbraw/zinc/46/47/67/538464767.db2.gz BXCXJYLTFORCJY-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000380065472 538464769 /nfs/dbraw/zinc/46/47/69/538464769.db2.gz BXCXJYLTFORCJY-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423044446 192549613 /nfs/dbraw/zinc/54/96/13/192549613.db2.gz ANVYXTOULOYTLW-GUBZILKMSA-N 2 2 238.297 2.305 20 0 BEADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000321079966 259468535 /nfs/dbraw/zinc/46/85/35/259468535.db2.gz LOAMOXLAUXNXMX-LPWJVIDDSA-N 2 2 221.348 2.296 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC000623634973 366315943 /nfs/dbraw/zinc/31/59/43/366315943.db2.gz LHJBDLBATPECRO-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2c1CCC2 ZINC000623634973 366315947 /nfs/dbraw/zinc/31/59/47/366315947.db2.gz LHJBDLBATPECRO-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000399093770 366320284 /nfs/dbraw/zinc/32/02/84/366320284.db2.gz XQLCXHCGXPLBCN-ONGXEEELSA-N 2 2 240.297 2.195 20 0 BEADLP CCc1ccc(C[NH2+]C2CC([NH+](C)C)C2)s1 ZINC000578143302 366323014 /nfs/dbraw/zinc/32/30/14/366323014.db2.gz JYMYUAUUAUEJSG-UHFFFAOYSA-N 2 2 238.400 2.493 20 0 BEADLP CCC1(C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000578144016 366323103 /nfs/dbraw/zinc/32/31/03/366323103.db2.gz FZGACPJMXXTVAI-UHFFFAOYSA-N 2 2 207.321 2.008 20 0 BEADLP CC1(C)C[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354290995 356733829 /nfs/dbraw/zinc/73/38/29/356733829.db2.gz ZCSWKJHVUKRGKK-LLVKDONJSA-N 2 2 229.327 2.470 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000130264445 325031712 /nfs/dbraw/zinc/03/17/12/325031712.db2.gz FVRUJZQSCLLBSR-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@H](C)O)c(C)[nH+]1 ZINC000639828697 356811771 /nfs/dbraw/zinc/81/17/71/356811771.db2.gz POVFTVLORGZMIF-DZGCQCFKSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c(C)[nH+]1 ZINC000639828697 356811775 /nfs/dbraw/zinc/81/17/75/356811775.db2.gz POVFTVLORGZMIF-DZGCQCFKSA-N 2 2 248.370 2.352 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155853663 538736146 /nfs/dbraw/zinc/73/61/46/538736146.db2.gz IARFXIMQCRYLBA-NEPJUHHUSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155853663 538736151 /nfs/dbraw/zinc/73/61/51/538736151.db2.gz IARFXIMQCRYLBA-NEPJUHHUSA-N 2 2 238.400 2.363 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cscn2)CC1(C)C ZINC000623387236 356917203 /nfs/dbraw/zinc/91/72/03/356917203.db2.gz RGBXVNSCGWKRRB-SNVBAGLBSA-N 2 2 239.388 2.106 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cscn2)CC1(C)C ZINC000623387236 356917208 /nfs/dbraw/zinc/91/72/08/356917208.db2.gz RGBXVNSCGWKRRB-SNVBAGLBSA-N 2 2 239.388 2.106 20 0 BEADLP CCCC[C@@H](COC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000360044658 356901595 /nfs/dbraw/zinc/90/15/95/356901595.db2.gz GXJKXCBDHCRSHD-OLZOCXBDSA-N 2 2 239.363 2.066 20 0 BEADLP CC(C)C[C@H](CN[C@@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353447987 538743985 /nfs/dbraw/zinc/74/39/85/538743985.db2.gz NDQDPFJCUWBODY-NWDGAFQWSA-N 2 2 238.379 2.037 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368105546 356966433 /nfs/dbraw/zinc/96/64/33/356966433.db2.gz TVNJKFIHJSQVJV-WOPDTQHZSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368105546 356966438 /nfs/dbraw/zinc/96/64/38/356966438.db2.gz TVNJKFIHJSQVJV-WOPDTQHZSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000423195089 192620457 /nfs/dbraw/zinc/62/04/57/192620457.db2.gz XOQAXQINRGBKRX-QNWHQSFQSA-N 2 2 234.343 2.256 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389546310 356986881 /nfs/dbraw/zinc/98/68/81/356986881.db2.gz MFLVQAIUULYLIE-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389546310 356986883 /nfs/dbraw/zinc/98/68/83/356986883.db2.gz MFLVQAIUULYLIE-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC1(C)CC[C@@H]([N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000367665342 356957481 /nfs/dbraw/zinc/95/74/81/356957481.db2.gz LAPVWJJLBAJCQS-CYBMUJFWSA-N 2 2 222.376 2.345 20 0 BEADLP CC1(C)CC[C@@H]([N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000367665342 356957484 /nfs/dbraw/zinc/95/74/84/356957484.db2.gz LAPVWJJLBAJCQS-CYBMUJFWSA-N 2 2 222.376 2.345 20 0 BEADLP CCC(CC)[N@H+](CCOC)CCn1cc[nH+]c1 ZINC000131085795 325113140 /nfs/dbraw/zinc/11/31/40/325113140.db2.gz QHUFDZQKLMPOJM-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CCC(CC)[N@@H+](CCOC)CCn1cc[nH+]c1 ZINC000131085795 325113142 /nfs/dbraw/zinc/11/31/42/325113142.db2.gz QHUFDZQKLMPOJM-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000166446877 538796731 /nfs/dbraw/zinc/79/67/31/538796731.db2.gz YKVUCMUUCYJBTK-ZDUSSCGKSA-N 2 2 210.365 2.106 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271921 192664263 /nfs/dbraw/zinc/66/42/63/192664263.db2.gz HRHBVLJECYABOS-PSASIEDQSA-N 2 2 240.372 2.145 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CS1 ZINC000628422659 357244563 /nfs/dbraw/zinc/24/45/63/357244563.db2.gz FULCXHXQEXTKEM-JHJVBQTASA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CS1 ZINC000628422659 357244566 /nfs/dbraw/zinc/24/45/66/357244566.db2.gz FULCXHXQEXTKEM-JHJVBQTASA-N 2 2 242.432 2.200 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389550738 538822672 /nfs/dbraw/zinc/82/26/72/538822672.db2.gz OOKFHSYMIAKWIU-MOKVOYLWSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389550738 538822677 /nfs/dbraw/zinc/82/26/77/538822677.db2.gz OOKFHSYMIAKWIU-MOKVOYLWSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC=CC3)n2c1 ZINC000157585055 538830124 /nfs/dbraw/zinc/83/01/24/538830124.db2.gz YQPDADZZBPWUCT-UHFFFAOYSA-N 2 2 227.311 2.451 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](CC3(C)CC3)CC2)c1 ZINC000582642148 357352531 /nfs/dbraw/zinc/35/25/31/357352531.db2.gz VPQGEGHTNXXDNE-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000157745664 538837989 /nfs/dbraw/zinc/83/79/89/538837989.db2.gz GDOHSRFRSNLKNJ-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)C ZINC000157745664 538837996 /nfs/dbraw/zinc/83/79/96/538837996.db2.gz GDOHSRFRSNLKNJ-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(NCC[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000063171606 357552550 /nfs/dbraw/zinc/55/25/50/357552550.db2.gz INPVTRLZWJXJOO-SECBINFHSA-N 2 2 222.336 2.058 20 0 BEADLP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)c(F)c1 ZINC000583214474 357563841 /nfs/dbraw/zinc/56/38/41/357563841.db2.gz PXJDBVOSGATGPK-UHFFFAOYSA-N 2 2 240.297 2.150 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+]C(C)(C)c1nccs1 ZINC000232614714 357669529 /nfs/dbraw/zinc/66/95/29/357669529.db2.gz ZITVDWUHKSCLIG-SNVBAGLBSA-N 2 2 241.404 2.341 20 0 BEADLP Cc1c[nH+]ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000191980007 357819111 /nfs/dbraw/zinc/81/91/11/357819111.db2.gz YDOVVGUIPIRRQD-UHFFFAOYSA-N 2 2 242.326 2.428 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397882645 357781498 /nfs/dbraw/zinc/78/14/98/357781498.db2.gz ZPUVNRAUVYNTML-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+](CCCc1c[nH+]cn1C)CC(F)F ZINC000583821067 357961840 /nfs/dbraw/zinc/96/18/40/357961840.db2.gz YZRJLRRAZRRSMZ-UHFFFAOYSA-N 2 2 245.317 2.330 20 0 BEADLP CCC[N@@H+](CCCc1c[nH+]cn1C)CC(F)F ZINC000583821067 357961842 /nfs/dbraw/zinc/96/18/42/357961842.db2.gz YZRJLRRAZRRSMZ-UHFFFAOYSA-N 2 2 245.317 2.330 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCC1 ZINC000387618417 357993978 /nfs/dbraw/zinc/99/39/78/357993978.db2.gz BCBAHOOOQAQDOW-YPMHNXCESA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cnc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000220334008 358038276 /nfs/dbraw/zinc/03/82/76/358038276.db2.gz UEAQTUGNVFEQDX-VHSXEESVSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1cnc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)s1 ZINC000220334008 358038278 /nfs/dbraw/zinc/03/82/78/358038278.db2.gz UEAQTUGNVFEQDX-VHSXEESVSA-N 2 2 239.388 2.017 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCC(CCF)CC1 ZINC000639989399 358029843 /nfs/dbraw/zinc/02/98/43/358029843.db2.gz DDQQNRQOWZHJBP-UHFFFAOYSA-N 2 2 239.338 2.034 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000218552318 134254547 /nfs/dbraw/zinc/25/45/47/134254547.db2.gz ZDCNYWKDPCKHTA-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000218552318 134254548 /nfs/dbraw/zinc/25/45/48/134254548.db2.gz ZDCNYWKDPCKHTA-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000584756527 358169600 /nfs/dbraw/zinc/16/96/00/358169600.db2.gz PNMDJSSBEPOXKD-AGIUHOORSA-N 2 2 233.359 2.366 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)s1 ZINC000042390286 358347359 /nfs/dbraw/zinc/34/73/59/358347359.db2.gz RMEXIXKLJQLVKO-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)s1 ZINC000042390286 358347360 /nfs/dbraw/zinc/34/73/60/358347360.db2.gz RMEXIXKLJQLVKO-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1 ZINC000045094579 358400074 /nfs/dbraw/zinc/40/00/74/358400074.db2.gz PKWWRNFMLWVIJB-ZDUSSCGKSA-N 2 2 244.342 2.409 20 0 BEADLP CCC(CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094603 358400673 /nfs/dbraw/zinc/40/06/73/358400673.db2.gz CPDQHNJRZXLINY-UHFFFAOYSA-N 2 2 209.337 2.442 20 0 BEADLP Cc1cc(NCC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000048322204 358628250 /nfs/dbraw/zinc/62/82/50/358628250.db2.gz SCUDSNSPZMZYNX-UHFFFAOYSA-N 2 2 248.374 2.416 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219625493 134288910 /nfs/dbraw/zinc/28/89/10/134288910.db2.gz CELKIBWTMUJDHL-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219625493 134288911 /nfs/dbraw/zinc/28/89/11/134288911.db2.gz CELKIBWTMUJDHL-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000132383948 491135628 /nfs/dbraw/zinc/13/56/28/491135628.db2.gz GQHWKHLUXFJQDR-RYUDHWBXSA-N 2 2 221.348 2.440 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050577702 358733401 /nfs/dbraw/zinc/73/34/01/358733401.db2.gz MFJYXHQTNZOVGK-CQSZACIVSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000050577702 358733403 /nfs/dbraw/zinc/73/34/03/358733403.db2.gz MFJYXHQTNZOVGK-CQSZACIVSA-N 2 2 248.345 2.460 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000134997458 358814965 /nfs/dbraw/zinc/81/49/65/358814965.db2.gz WWKCWNDFRCLBFT-UHFFFAOYSA-N 2 2 249.383 2.338 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000134997458 358814968 /nfs/dbraw/zinc/81/49/68/358814968.db2.gz WWKCWNDFRCLBFT-UHFFFAOYSA-N 2 2 249.383 2.338 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000054081347 358851278 /nfs/dbraw/zinc/85/12/78/358851278.db2.gz PHWBKKFTYPRCGJ-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000054081347 358851280 /nfs/dbraw/zinc/85/12/80/358851280.db2.gz PHWBKKFTYPRCGJ-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000054110250 358853489 /nfs/dbraw/zinc/85/34/89/358853489.db2.gz PDTHZLPWDLBHCF-UHFFFAOYSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000054110250 358853492 /nfs/dbraw/zinc/85/34/92/358853492.db2.gz PDTHZLPWDLBHCF-UHFFFAOYSA-N 2 2 236.403 2.352 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000054770367 358873754 /nfs/dbraw/zinc/87/37/54/358873754.db2.gz UAPVVBVNROFZSB-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000070347424 359050141 /nfs/dbraw/zinc/05/01/41/359050141.db2.gz RRWVRQWFYXYWFG-HZSPNIEDSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)C[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070142991 359043187 /nfs/dbraw/zinc/04/31/87/359043187.db2.gz CRLXOHNHGZBUCG-NSHDSACASA-N 2 2 238.379 2.010 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423312210 192699084 /nfs/dbraw/zinc/69/90/84/192699084.db2.gz CUMKJVJELVQBOG-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CCOC ZINC000070978408 359067876 /nfs/dbraw/zinc/06/78/76/359067876.db2.gz MAWZXCLWORBGDW-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000070978408 359067880 /nfs/dbraw/zinc/06/78/80/359067880.db2.gz MAWZXCLWORBGDW-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000070732180 359062732 /nfs/dbraw/zinc/06/27/32/359062732.db2.gz KDMGDHREGNCABS-SNVBAGLBSA-N 2 2 239.388 2.278 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000246971074 359178727 /nfs/dbraw/zinc/17/87/27/359178727.db2.gz JKWGQZZWPMLEIE-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000246971074 359178729 /nfs/dbraw/zinc/17/87/29/359178729.db2.gz JKWGQZZWPMLEIE-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247791245 359245560 /nfs/dbraw/zinc/24/55/60/359245560.db2.gz ZCDDWTMMFFIMPY-NEPJUHHUSA-N 2 2 207.321 2.176 20 0 BEADLP CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247791245 359245568 /nfs/dbraw/zinc/24/55/68/359245568.db2.gz ZCDDWTMMFFIMPY-NEPJUHHUSA-N 2 2 207.321 2.176 20 0 BEADLP C[NH+](C)C1(C[NH2+]CC2(C)CCC2)CCC1 ZINC000308894362 491139904 /nfs/dbraw/zinc/13/99/04/491139904.db2.gz IMQXCIHNGBWACG-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccn1 ZINC000423470890 192784527 /nfs/dbraw/zinc/78/45/27/192784527.db2.gz PKCYFXGONGQAOX-NWDGAFQWSA-N 2 2 221.348 2.250 20 0 BEADLP CCc1[nH+]ccn1Cc1ccc[nH+]c1C ZINC000308994558 491142068 /nfs/dbraw/zinc/14/20/68/491142068.db2.gz JHDDNVNMOINNCL-UHFFFAOYSA-N 2 2 201.273 2.197 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000308992180 491142078 /nfs/dbraw/zinc/14/20/78/491142078.db2.gz LLLHYUAERCVNTP-NEPJUHHUSA-N 2 2 212.381 2.351 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623945257 359683377 /nfs/dbraw/zinc/68/33/77/359683377.db2.gz GWMJFKNMFDHORD-LLVKDONJSA-N 2 2 249.358 2.375 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623945257 359683381 /nfs/dbraw/zinc/68/33/81/359683381.db2.gz GWMJFKNMFDHORD-LLVKDONJSA-N 2 2 249.358 2.375 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000087012442 359893144 /nfs/dbraw/zinc/89/31/44/359893144.db2.gz KVZSVLRJHZENKX-CQSZACIVSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000087012442 359893151 /nfs/dbraw/zinc/89/31/51/359893151.db2.gz KVZSVLRJHZENKX-CQSZACIVSA-N 2 2 216.328 2.097 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000088162121 359938299 /nfs/dbraw/zinc/93/82/99/359938299.db2.gz OAHXYTBTFKEGSJ-OCCSQVGLSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000091669765 360123374 /nfs/dbraw/zinc/12/33/74/360123374.db2.gz IPAFBMVZRWUTMZ-UHFFFAOYSA-N 2 2 222.332 2.114 20 0 BEADLP Cc1cc(N[C@@H](C)CCC[NH3+])nc(C(C)C)[nH+]1 ZINC000094948072 360328706 /nfs/dbraw/zinc/32/87/06/360328706.db2.gz ITQCCGGMYIYHEN-JTQLQIEISA-N 2 2 236.363 2.448 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000309402347 491148757 /nfs/dbraw/zinc/14/87/57/491148757.db2.gz WNSJNETWQICULV-XBFCOCLRSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000309402347 491148758 /nfs/dbraw/zinc/14/87/58/491148758.db2.gz WNSJNETWQICULV-XBFCOCLRSA-N 2 2 224.392 2.493 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000309577996 491152048 /nfs/dbraw/zinc/15/20/48/491152048.db2.gz RAAZKNKTMVYXAA-QWHCGFSZSA-N 2 2 219.332 2.051 20 0 BEADLP CC(C)c1cnc(C[NH2+]C[C@H]([NH3+])C2CC2)s1 ZINC000414895504 200776749 /nfs/dbraw/zinc/77/67/49/200776749.db2.gz XUCQGJDJFMKERS-JTQLQIEISA-N 2 2 239.388 2.093 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000309652657 491153755 /nfs/dbraw/zinc/15/37/55/491153755.db2.gz ORFDFTHGQBVKAE-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000309652657 491153756 /nfs/dbraw/zinc/15/37/56/491153756.db2.gz ORFDFTHGQBVKAE-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000629390416 361037820 /nfs/dbraw/zinc/03/78/20/361037820.db2.gz FDIBANFGWNTEDJ-QWHCGFSZSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629396677 361044713 /nfs/dbraw/zinc/04/47/13/361044713.db2.gz NWWRGJYPFUYUCY-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C ZINC000629390682 361046076 /nfs/dbraw/zinc/04/60/76/361046076.db2.gz LUXPGRGTAYQWIE-UONOGXRCSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1F ZINC000629396949 361047004 /nfs/dbraw/zinc/04/70/04/361047004.db2.gz RQXSAHWOZCVPCQ-YPMHNXCESA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1C ZINC000629406018 361053406 /nfs/dbraw/zinc/05/34/06/361053406.db2.gz NHCOCMFUUQDGHI-GXTWGEPZSA-N 2 2 218.344 2.143 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629406255 361054111 /nfs/dbraw/zinc/05/41/11/361054111.db2.gz LMTSPJPYPLMQIG-GXTWGEPZSA-N 2 2 218.344 2.143 20 0 BEADLP C[C@@H](C[N@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000640349363 361072387 /nfs/dbraw/zinc/07/23/87/361072387.db2.gz BCOLLVDGLRGSIW-LBPRGKRZSA-N 2 2 223.364 2.497 20 0 BEADLP C[C@@H](C[N@@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000640349363 361072388 /nfs/dbraw/zinc/07/23/88/361072388.db2.gz BCOLLVDGLRGSIW-LBPRGKRZSA-N 2 2 223.364 2.497 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ncccc21 ZINC000631572702 361075377 /nfs/dbraw/zinc/07/53/77/361075377.db2.gz DQORZDSKWZBLBZ-WFASDCNBSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ncccc21 ZINC000631572702 361075381 /nfs/dbraw/zinc/07/53/81/361075381.db2.gz DQORZDSKWZBLBZ-WFASDCNBSA-N 2 2 245.370 2.143 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000309668209 491154272 /nfs/dbraw/zinc/15/42/72/491154272.db2.gz UZCCAPGYPAPDAX-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000309668209 491154273 /nfs/dbraw/zinc/15/42/73/491154273.db2.gz UZCCAPGYPAPDAX-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000629526501 361127636 /nfs/dbraw/zinc/12/76/36/361127636.db2.gz WLIBPIPYBNSKGL-DDTOSNHZSA-N 2 2 234.343 2.183 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000629526502 361127927 /nfs/dbraw/zinc/12/79/27/361127927.db2.gz WLIBPIPYBNSKGL-LEWSCRJBSA-N 2 2 234.343 2.183 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000309760323 491155695 /nfs/dbraw/zinc/15/56/95/491155695.db2.gz IOORHEBYSLSCLD-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000309760323 491155696 /nfs/dbraw/zinc/15/56/96/491155696.db2.gz IOORHEBYSLSCLD-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)C[C@H](C)O1 ZINC000191789286 361359352 /nfs/dbraw/zinc/35/93/52/361359352.db2.gz IDNHAPYGDULZHW-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@H](C)O1 ZINC000191789286 361359356 /nfs/dbraw/zinc/35/93/56/361359356.db2.gz IDNHAPYGDULZHW-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCSC[C@H]1C ZINC000191793743 361360298 /nfs/dbraw/zinc/36/02/98/361360298.db2.gz FCQSLPZDBUUQHD-GFCCVEGCSA-N 2 2 230.421 2.156 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCSC[C@H]1C ZINC000191793743 361360301 /nfs/dbraw/zinc/36/03/01/361360301.db2.gz FCQSLPZDBUUQHD-GFCCVEGCSA-N 2 2 230.421 2.156 20 0 BEADLP COC1(C[C@H](C)[NH2+]CC[NH+]2CCCC2)CCC1 ZINC000429369749 201103027 /nfs/dbraw/zinc/10/30/27/201103027.db2.gz FYOCMZLHJIJUJC-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)n1 ZINC000629543907 361413234 /nfs/dbraw/zinc/41/32/34/361413234.db2.gz FLVUNICEKSWSGQ-SGMGOOAPSA-N 2 2 233.359 2.099 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629542674 361420387 /nfs/dbraw/zinc/42/03/87/361420387.db2.gz IWJQMKPZUTYJDO-OBJOEFQTSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2c(c1)COC2 ZINC000629545147 361424247 /nfs/dbraw/zinc/42/42/47/361424247.db2.gz ACKCLKJFDQPFLW-JRPNMDOOSA-N 2 2 246.354 2.118 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629545504 361426998 /nfs/dbraw/zinc/42/69/98/361426998.db2.gz KZXCOXGORAUEEE-MBNYWOFBSA-N 2 2 218.344 2.396 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000629546607 361429019 /nfs/dbraw/zinc/42/90/19/361429019.db2.gz UIKCMNDHHQDXFH-NJZAAPMLSA-N 2 2 245.370 2.273 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000629547201 361430778 /nfs/dbraw/zinc/43/07/78/361430778.db2.gz HTSINKLADVUKJR-CUOATXAZSA-N 2 2 234.318 2.153 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC)cc1 ZINC000629547933 361431177 /nfs/dbraw/zinc/43/11/77/361431177.db2.gz LYWZJGHMDHXJSX-NILFDRSVSA-N 2 2 248.370 2.486 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548978 361434402 /nfs/dbraw/zinc/43/44/02/361434402.db2.gz STBBTRWJKCTDJT-ZLKJLUDKSA-N 2 2 246.354 2.023 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc(OC(F)F)c1 ZINC000629557398 361454862 /nfs/dbraw/zinc/45/48/62/361454862.db2.gz KZVIDHGDPNNTHY-UHFFFAOYSA-N 2 2 244.285 2.069 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc(OC(F)F)c1 ZINC000629557398 361454867 /nfs/dbraw/zinc/45/48/67/361454867.db2.gz KZVIDHGDPNNTHY-UHFFFAOYSA-N 2 2 244.285 2.069 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1C)[N@H+](C)C1CC1 ZINC000151962186 201188245 /nfs/dbraw/zinc/18/82/45/201188245.db2.gz LCSGODWUXYRKHW-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000151962186 201188248 /nfs/dbraw/zinc/18/82/48/201188248.db2.gz LCSGODWUXYRKHW-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP C[NH2+]c1ccc(NC[C@]2(C)CC[NH2+]C2)cc1 ZINC000629654270 361554352 /nfs/dbraw/zinc/55/43/52/361554352.db2.gz HBTXGHMVBKXIRD-CYBMUJFWSA-N 2 2 219.332 2.140 20 0 BEADLP C[NH2+]c1ccc(NC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000629654274 361554662 /nfs/dbraw/zinc/55/46/62/361554662.db2.gz HBTXGHMVBKXIRD-ZDUSSCGKSA-N 2 2 219.332 2.140 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435040939 201250831 /nfs/dbraw/zinc/25/08/31/201250831.db2.gz NIIQRMBMUPKVHS-SGMGOOAPSA-N 2 2 232.327 2.191 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435040939 201250834 /nfs/dbraw/zinc/25/08/34/201250834.db2.gz NIIQRMBMUPKVHS-SGMGOOAPSA-N 2 2 232.327 2.191 20 0 BEADLP CC(C)Nc1ccc(C2=CC[NH2+]CC2)c[nH+]1 ZINC000629723225 361664627 /nfs/dbraw/zinc/66/46/27/361664627.db2.gz KMFMTLILJOCBCL-UHFFFAOYSA-N 2 2 217.316 2.279 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000435884544 201294600 /nfs/dbraw/zinc/29/46/00/201294600.db2.gz UFVYQWKQLVMIHQ-DZGCQCFKSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000435884544 201294603 /nfs/dbraw/zinc/29/46/03/201294603.db2.gz UFVYQWKQLVMIHQ-DZGCQCFKSA-N 2 2 248.370 2.058 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000155824013 201352805 /nfs/dbraw/zinc/35/28/05/201352805.db2.gz IBSPFSFOZAUNOV-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000155824013 201352809 /nfs/dbraw/zinc/35/28/09/201352809.db2.gz IBSPFSFOZAUNOV-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000155824225 201353257 /nfs/dbraw/zinc/35/32/57/201353257.db2.gz IBSPFSFOZAUNOV-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000155824225 201353261 /nfs/dbraw/zinc/35/32/61/201353261.db2.gz IBSPFSFOZAUNOV-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)CC1CC1)C1CC1 ZINC000155862802 201360183 /nfs/dbraw/zinc/36/01/83/201360183.db2.gz DLBADFNTPULPDC-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)CC1CC1)C1CC1 ZINC000155862802 201360187 /nfs/dbraw/zinc/36/01/87/201360187.db2.gz DLBADFNTPULPDC-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)C(F)(F)F)n1C ZINC000579496708 366835100 /nfs/dbraw/zinc/83/51/00/366835100.db2.gz OUTVXBYVUGZDSG-SSDOTTSWSA-N 2 2 235.253 2.017 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734144 364728926 /nfs/dbraw/zinc/72/89/26/364728926.db2.gz BWPCLNADPVOUQZ-ZWNOBZJWSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734144 364728928 /nfs/dbraw/zinc/72/89/28/364728928.db2.gz BWPCLNADPVOUQZ-ZWNOBZJWSA-N 2 2 220.360 2.001 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911356 364820202 /nfs/dbraw/zinc/82/02/02/364820202.db2.gz ADEFENYOONVIHG-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911356 364820207 /nfs/dbraw/zinc/82/02/07/364820207.db2.gz ADEFENYOONVIHG-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299918161 364821117 /nfs/dbraw/zinc/82/11/17/364821117.db2.gz JROPJAOWOBERKW-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299918161 364821119 /nfs/dbraw/zinc/82/11/19/364821119.db2.gz JROPJAOWOBERKW-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP COC[C@H](C)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000574024506 364969029 /nfs/dbraw/zinc/96/90/29/364969029.db2.gz YAYHPUDLXANMDD-CYBMUJFWSA-N 2 2 242.407 2.075 20 0 BEADLP COC[C@H](C)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000574024506 364969033 /nfs/dbraw/zinc/96/90/33/364969033.db2.gz YAYHPUDLXANMDD-CYBMUJFWSA-N 2 2 242.407 2.075 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)n1C ZINC000574220110 365014963 /nfs/dbraw/zinc/01/49/63/365014963.db2.gz AZXLBXDXRBIZON-PWSUYJOCSA-N 2 2 221.348 2.254 20 0 BEADLP C[C@@H]1C[NH+](CCCn2cc[nH+]c2)C[C@@H](C)S1 ZINC000574227501 365015452 /nfs/dbraw/zinc/01/54/52/365015452.db2.gz VJAHQFNWLQRMPG-VXGBXAGGSA-N 2 2 239.388 2.099 20 0 BEADLP [NH3+]CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000082790931 181381191 /nfs/dbraw/zinc/38/11/91/181381191.db2.gz SRUBOEBXLNHUIV-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP [NH3+]CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000082790931 181381192 /nfs/dbraw/zinc/38/11/92/181381192.db2.gz SRUBOEBXLNHUIV-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C)(C)C2CCC2)n1C ZINC000574339635 365042890 /nfs/dbraw/zinc/04/28/90/365042890.db2.gz KUHVWCAHXSVPCQ-UHFFFAOYSA-N 2 2 221.348 2.397 20 0 BEADLP CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000343927875 541449504 /nfs/dbraw/zinc/44/95/04/541449504.db2.gz JZUWCNNLOZGPRF-NEPJUHHUSA-N 2 2 238.379 2.181 20 0 BEADLP CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000343927875 541449506 /nfs/dbraw/zinc/44/95/06/541449506.db2.gz JZUWCNNLOZGPRF-NEPJUHHUSA-N 2 2 238.379 2.181 20 0 BEADLP CCCC[C@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000442966502 193007599 /nfs/dbraw/zinc/00/75/99/193007599.db2.gz MEXQEHFYFUCBGX-UWVGGRQHSA-N 2 2 240.351 2.306 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC=CCC2)n1C ZINC000576004281 365444858 /nfs/dbraw/zinc/44/48/58/365444858.db2.gz RVJGVXKFIMDRQR-GFCCVEGCSA-N 2 2 219.332 2.174 20 0 BEADLP C[C@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182804234 366940530 /nfs/dbraw/zinc/94/05/30/366940530.db2.gz SOWNTFBEEJNCOW-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182804234 366940534 /nfs/dbraw/zinc/94/05/34/366940534.db2.gz SOWNTFBEEJNCOW-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]([N@H+](C)CCCn1cc[nH+]c1)C1(C)CC1 ZINC000182839131 366948676 /nfs/dbraw/zinc/94/86/76/366948676.db2.gz NSWHOHSDHSNSCP-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]([N@@H+](C)CCCn1cc[nH+]c1)C1(C)CC1 ZINC000182839131 366948680 /nfs/dbraw/zinc/94/86/80/366948680.db2.gz NSWHOHSDHSNSCP-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C(F)(F)F)n1C ZINC000581023413 367241623 /nfs/dbraw/zinc/24/16/23/367241623.db2.gz ZDCKDKXVZWTZKD-UHFFFAOYSA-N 2 2 249.280 2.407 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000381803406 367459332 /nfs/dbraw/zinc/45/93/32/367459332.db2.gz DYHWMXODDLTLPM-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000381803406 367459334 /nfs/dbraw/zinc/45/93/34/367459334.db2.gz DYHWMXODDLTLPM-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000581734852 367798092 /nfs/dbraw/zinc/79/80/92/367798092.db2.gz YVILPUWFWRHLLO-FRRDWIJNSA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000581734852 367798097 /nfs/dbraw/zinc/79/80/97/367798097.db2.gz YVILPUWFWRHLLO-FRRDWIJNSA-N 2 2 235.375 2.329 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399178948 367851470 /nfs/dbraw/zinc/85/14/70/367851470.db2.gz KWMWVVITONMHJL-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP C[N@H+](Cc1ccc(F)c(F)c1)C1(C[NH3+])CCC1 ZINC000385290144 367817968 /nfs/dbraw/zinc/81/79/68/367817968.db2.gz IDECZBVHCRZHFY-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP C[N@@H+](Cc1ccc(F)c(F)c1)C1(C[NH3+])CCC1 ZINC000385290144 367817974 /nfs/dbraw/zinc/81/79/74/367817974.db2.gz IDECZBVHCRZHFY-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)s1 ZINC000385351028 367821534 /nfs/dbraw/zinc/82/15/34/367821534.db2.gz OBKYQTPISZLNRR-UHFFFAOYSA-N 2 2 224.373 2.370 20 0 BEADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)s1 ZINC000385351028 367821538 /nfs/dbraw/zinc/82/15/38/367821538.db2.gz OBKYQTPISZLNRR-UHFFFAOYSA-N 2 2 224.373 2.370 20 0 BEADLP CSCC1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000385471297 367832682 /nfs/dbraw/zinc/83/26/82/367832682.db2.gz XZIXCIHLRYULSR-PNESKVBLSA-N 2 2 244.448 2.448 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399230115 367907154 /nfs/dbraw/zinc/90/71/54/367907154.db2.gz OXJOXILHQWHIMA-OBJOEFQTSA-N 2 2 248.370 2.486 20 0 BEADLP CCC1([NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000386186137 367925618 /nfs/dbraw/zinc/92/56/18/367925618.db2.gz PGWSKOJHWUHYNB-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3occc32)C[NH2+]1 ZINC000399283571 368066868 /nfs/dbraw/zinc/06/68/68/368066868.db2.gz YHSWKJUWRGSOCD-NQBHXWOUSA-N 2 2 234.343 2.387 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)s1 ZINC000566902222 326092354 /nfs/dbraw/zinc/09/23/54/326092354.db2.gz CEMUPBGWPFYOGQ-ZANVPECISA-N 2 2 238.400 2.453 20 0 BEADLP Cc1ncccc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834582 369031583 /nfs/dbraw/zinc/03/15/83/369031583.db2.gz ARRDITWNMPSPFP-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ncccc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834582 369031591 /nfs/dbraw/zinc/03/15/91/369031591.db2.gz ARRDITWNMPSPFP-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP CCc1cc(NCC[N@@H+](C)[C@H](C)CC)nc[nH+]1 ZINC000226530043 369122276 /nfs/dbraw/zinc/12/22/76/369122276.db2.gz BAEZTCKYSALPIN-LLVKDONJSA-N 2 2 236.363 2.181 20 0 BEADLP CCc1cc(NCC[N@H+](C)[C@H](C)CC)nc[nH+]1 ZINC000226530043 369122281 /nfs/dbraw/zinc/12/22/81/369122281.db2.gz BAEZTCKYSALPIN-LLVKDONJSA-N 2 2 236.363 2.181 20 0 BEADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@@H]12 ZINC000459407674 203276218 /nfs/dbraw/zinc/27/62/18/203276218.db2.gz LJPRLUFJWAKUPR-SNPRPXQTSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@@H]12 ZINC000459407674 203276221 /nfs/dbraw/zinc/27/62/21/203276221.db2.gz LJPRLUFJWAKUPR-SNPRPXQTSA-N 2 2 247.386 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000459345710 203263576 /nfs/dbraw/zinc/26/35/76/203263576.db2.gz WHTXCSCJIIKEJC-ZDUSSCGKSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000459345710 203263578 /nfs/dbraw/zinc/26/35/78/203263578.db2.gz WHTXCSCJIIKEJC-ZDUSSCGKSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@]1(C)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459354525 203265356 /nfs/dbraw/zinc/26/53/56/203265356.db2.gz LXIZRTONNGETNH-CQSZACIVSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@]1(C)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459354525 203265360 /nfs/dbraw/zinc/26/53/60/203265360.db2.gz LXIZRTONNGETNH-CQSZACIVSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433444 203279641 /nfs/dbraw/zinc/27/96/41/203279641.db2.gz UOERNUDTBDUNHD-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433444 203279643 /nfs/dbraw/zinc/27/96/43/203279643.db2.gz UOERNUDTBDUNHD-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP CN(CC[NH2+]C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000459552625 203297641 /nfs/dbraw/zinc/29/76/41/203297641.db2.gz WFNMNCDUKCVYNV-UHFFFAOYSA-N 2 2 249.402 2.053 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859038 369446489 /nfs/dbraw/zinc/44/64/89/369446489.db2.gz ICSGTXYHUREXBF-TZMCWYRMSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631859038 369446492 /nfs/dbraw/zinc/44/64/92/369446492.db2.gz ICSGTXYHUREXBF-TZMCWYRMSA-N 2 2 248.370 2.395 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2C2CC2)c1 ZINC000459657526 203329973 /nfs/dbraw/zinc/32/99/73/203329973.db2.gz IDLPINMCUQRMLW-UONOGXRCSA-N 2 2 233.359 2.131 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631858544 369442711 /nfs/dbraw/zinc/44/27/11/369442711.db2.gz AAOUMPGBFZSKHA-UONOGXRCSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631858544 369442716 /nfs/dbraw/zinc/44/27/16/369442716.db2.gz AAOUMPGBFZSKHA-UONOGXRCSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1cccc(CC[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000459672762 203333820 /nfs/dbraw/zinc/33/38/20/203333820.db2.gz YFYDLFMXCFDHGO-UHFFFAOYSA-N 2 2 243.354 2.103 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccsc1 ZINC000631862494 369548762 /nfs/dbraw/zinc/54/87/62/369548762.db2.gz QBQDWNPEXLYJPA-JQWIXIFHSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccsc1 ZINC000631862494 369548769 /nfs/dbraw/zinc/54/87/69/369548769.db2.gz QBQDWNPEXLYJPA-JQWIXIFHSA-N 2 2 224.373 2.102 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862515 369551216 /nfs/dbraw/zinc/55/12/16/369551216.db2.gz QHLLLUMUCQPITK-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631862515 369551221 /nfs/dbraw/zinc/55/12/21/369551221.db2.gz QHLLLUMUCQPITK-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309676203 370242290 /nfs/dbraw/zinc/24/22/90/370242290.db2.gz LUQCSETVUVWRKV-HZSPNIEDSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309676203 370242295 /nfs/dbraw/zinc/24/22/95/370242295.db2.gz LUQCSETVUVWRKV-HZSPNIEDSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309676209 370242710 /nfs/dbraw/zinc/24/27/10/370242710.db2.gz LUQCSETVUVWRKV-RDBSUJKOSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309676209 370242714 /nfs/dbraw/zinc/24/27/14/370242714.db2.gz LUQCSETVUVWRKV-RDBSUJKOSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309676207 370242856 /nfs/dbraw/zinc/24/28/56/370242856.db2.gz LUQCSETVUVWRKV-MGPQQGTHSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309676207 370242862 /nfs/dbraw/zinc/24/28/62/370242862.db2.gz LUQCSETVUVWRKV-MGPQQGTHSA-N 2 2 224.392 2.352 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CCCC23CC3)c[nH+]1 ZINC000568275221 326339586 /nfs/dbraw/zinc/33/95/86/326339586.db2.gz NDLKFKDEWDDOBT-LBPRGKRZSA-N 2 2 219.332 2.196 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000621739801 370497433 /nfs/dbraw/zinc/49/74/33/370497433.db2.gz YLLJKMWTMHGBIU-KMMRNIFNSA-N 2 2 222.376 2.105 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000621739801 370497436 /nfs/dbraw/zinc/49/74/36/370497436.db2.gz YLLJKMWTMHGBIU-KMMRNIFNSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784717 370537447 /nfs/dbraw/zinc/53/74/47/370537447.db2.gz UFVFFHLFVGWXQZ-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784717 370537453 /nfs/dbraw/zinc/53/74/53/370537453.db2.gz UFVFFHLFVGWXQZ-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000621778275 370527376 /nfs/dbraw/zinc/52/73/76/370527376.db2.gz NLMXXPBDRWOMJW-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000621778275 370527381 /nfs/dbraw/zinc/52/73/81/370527381.db2.gz NLMXXPBDRWOMJW-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000621778163 370527428 /nfs/dbraw/zinc/52/74/28/370527428.db2.gz LKVQFNHWZYKXRF-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000621778163 370527434 /nfs/dbraw/zinc/52/74/34/370527434.db2.gz LKVQFNHWZYKXRF-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000621778876 370527685 /nfs/dbraw/zinc/52/76/85/370527685.db2.gz WHEQWXQFLXNTGV-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000621778876 370527690 /nfs/dbraw/zinc/52/76/90/370527690.db2.gz WHEQWXQFLXNTGV-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP CC(C)O[C@H]1C[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1(C)C ZINC000568494721 326359831 /nfs/dbraw/zinc/35/98/31/326359831.db2.gz AVVSNJBDOGNIIF-AVGNSLFASA-N 2 2 242.407 2.118 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623851527 371127852 /nfs/dbraw/zinc/12/78/52/371127852.db2.gz AMMUNSICWHSJAC-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623851527 371127855 /nfs/dbraw/zinc/12/78/55/371127855.db2.gz AMMUNSICWHSJAC-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623851529 371128188 /nfs/dbraw/zinc/12/81/88/371128188.db2.gz AMMUNSICWHSJAC-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623851529 371128194 /nfs/dbraw/zinc/12/81/94/371128194.db2.gz AMMUNSICWHSJAC-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1C[C@H]1C ZINC000624101364 371307705 /nfs/dbraw/zinc/30/77/05/371307705.db2.gz BBVDICZXIZGCIY-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1C[C@H]1C ZINC000624101364 371307710 /nfs/dbraw/zinc/30/77/10/371307710.db2.gz BBVDICZXIZGCIY-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624200340 371392087 /nfs/dbraw/zinc/39/20/87/371392087.db2.gz JQEWUBYEEVBQBF-CNRIWFPOSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624200340 371392092 /nfs/dbraw/zinc/39/20/92/371392092.db2.gz JQEWUBYEEVBQBF-CNRIWFPOSA-N 2 2 248.414 2.495 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000631207529 372237125 /nfs/dbraw/zinc/23/71/25/372237125.db2.gz VITMQSXSZPBYQE-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000631207529 372237130 /nfs/dbraw/zinc/23/71/30/372237130.db2.gz VITMQSXSZPBYQE-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631571561 372430757 /nfs/dbraw/zinc/43/07/57/372430757.db2.gz GBAQDQWDGLNWJU-IUODEOHRSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631571561 372430764 /nfs/dbraw/zinc/43/07/64/372430764.db2.gz GBAQDQWDGLNWJU-IUODEOHRSA-N 2 2 245.370 2.143 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000631821273 372595762 /nfs/dbraw/zinc/59/57/62/372595762.db2.gz UBUDTBBXZIFVAO-AWEZNQCLSA-N 2 2 247.386 2.320 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000631821273 372595769 /nfs/dbraw/zinc/59/57/69/372595769.db2.gz UBUDTBBXZIFVAO-AWEZNQCLSA-N 2 2 247.386 2.320 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000631827326 372607971 /nfs/dbraw/zinc/60/79/71/372607971.db2.gz LTHZOKWXZSPFNL-SDDRHHMPSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000631827326 372607972 /nfs/dbraw/zinc/60/79/72/372607972.db2.gz LTHZOKWXZSPFNL-SDDRHHMPSA-N 2 2 244.329 2.106 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCSc1ccccc1 ZINC000631858845 372657809 /nfs/dbraw/zinc/65/78/09/372657809.db2.gz FBPMMXHZMUYRQX-NWDGAFQWSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCSc1ccccc1 ZINC000631858845 372657813 /nfs/dbraw/zinc/65/78/13/372657813.db2.gz FBPMMXHZMUYRQX-NWDGAFQWSA-N 2 2 236.384 2.200 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](CC2CCCC2)C1 ZINC000631833578 372617796 /nfs/dbraw/zinc/61/77/96/372617796.db2.gz DAILNHZPOCVXIS-ZDUSSCGKSA-N 2 2 210.365 2.380 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](CC2CCCC2)C1 ZINC000631833578 372617802 /nfs/dbraw/zinc/61/78/02/372617802.db2.gz DAILNHZPOCVXIS-ZDUSSCGKSA-N 2 2 210.365 2.380 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)nc1 ZINC000631835113 372620254 /nfs/dbraw/zinc/62/02/54/372620254.db2.gz NBFFRKBCCVBTGX-CYBMUJFWSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)nc1 ZINC000631835113 372620259 /nfs/dbraw/zinc/62/02/59/372620259.db2.gz NBFFRKBCCVBTGX-CYBMUJFWSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cncc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000631834597 372621453 /nfs/dbraw/zinc/62/14/53/372621453.db2.gz BEYMOVSEWATVQM-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cncc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000631834597 372621457 /nfs/dbraw/zinc/62/14/57/372621457.db2.gz BEYMOVSEWATVQM-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860138 372659704 /nfs/dbraw/zinc/65/97/04/372659704.db2.gz UZQSSTADANRWNG-MQYQWHSLSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860138 372659707 /nfs/dbraw/zinc/65/97/07/372659707.db2.gz UZQSSTADANRWNG-MQYQWHSLSA-N 2 2 240.391 2.003 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c(C)s1 ZINC000631860114 372660499 /nfs/dbraw/zinc/66/04/99/372660499.db2.gz USRGENZLEDGEOF-QPUJVOFHSA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c(C)s1 ZINC000631860114 372660503 /nfs/dbraw/zinc/66/05/03/372660503.db2.gz USRGENZLEDGEOF-QPUJVOFHSA-N 2 2 224.373 2.286 20 0 BEADLP CCc1cccc(OCC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631857509 372656170 /nfs/dbraw/zinc/65/61/70/372656170.db2.gz JNWPMGUPKQVBMP-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP CCc1cccc(OCC[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631857509 372656173 /nfs/dbraw/zinc/65/61/73/372656173.db2.gz JNWPMGUPKQVBMP-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631858257 372656954 /nfs/dbraw/zinc/65/69/54/372656954.db2.gz VIKUTJXVYXHZNG-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631858257 372656958 /nfs/dbraw/zinc/65/69/58/372656958.db2.gz VIKUTJXVYXHZNG-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861301 372661982 /nfs/dbraw/zinc/66/19/82/372661982.db2.gz YVYCTCHRMKETQZ-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861301 372661990 /nfs/dbraw/zinc/66/19/90/372661990.db2.gz YVYCTCHRMKETQZ-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000040671636 373588323 /nfs/dbraw/zinc/58/83/23/373588323.db2.gz XGEVPLPXPWGJRK-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040671636 373588328 /nfs/dbraw/zinc/58/83/28/373588328.db2.gz XGEVPLPXPWGJRK-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000178066841 206006327 /nfs/dbraw/zinc/00/63/27/206006327.db2.gz NGJIVVDDBWBLFX-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000178066841 206006333 /nfs/dbraw/zinc/00/63/33/206006333.db2.gz NGJIVVDDBWBLFX-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424193638 206035608 /nfs/dbraw/zinc/03/56/08/206035608.db2.gz KMCZYSICOOMDDU-CABNGKKXSA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424193638 206035613 /nfs/dbraw/zinc/03/56/13/206035613.db2.gz KMCZYSICOOMDDU-CABNGKKXSA-N 2 2 222.376 2.105 20 0 BEADLP CCC[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000129902823 169171982 /nfs/dbraw/zinc/17/19/82/169171982.db2.gz FSRBZANJNBCEPS-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CCC[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000129902823 169171984 /nfs/dbraw/zinc/17/19/84/169171984.db2.gz FSRBZANJNBCEPS-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP c1c[nH]c([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000271791803 183326503 /nfs/dbraw/zinc/32/65/03/183326503.db2.gz JDWLWLIINNHWDF-AWEZNQCLSA-N 2 2 244.342 2.438 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cscn3)C2)[nH]1 ZINC000267406211 183327964 /nfs/dbraw/zinc/32/79/64/183327964.db2.gz HEWXFXCXZPYXBX-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cscn3)C2)[nH]1 ZINC000267406211 183327966 /nfs/dbraw/zinc/32/79/66/183327966.db2.gz HEWXFXCXZPYXBX-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOC3CCC3)C2)[nH]1 ZINC000376521857 183328141 /nfs/dbraw/zinc/32/81/41/183328141.db2.gz AELSZZUSJOHXTO-GFCCVEGCSA-N 2 2 249.358 2.158 20 0 BEADLP CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123610711 169197770 /nfs/dbraw/zinc/19/77/70/169197770.db2.gz UMTCCKFEQAFXRB-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123610711 169197771 /nfs/dbraw/zinc/19/77/71/169197771.db2.gz UMTCCKFEQAFXRB-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](COC)C(C)C ZINC000353995378 169199653 /nfs/dbraw/zinc/19/96/53/169199653.db2.gz IFFWAXYLORXVCU-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](COC)C(C)C ZINC000353995378 169199654 /nfs/dbraw/zinc/19/96/54/169199654.db2.gz IFFWAXYLORXVCU-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)on1 ZINC000336333321 183343136 /nfs/dbraw/zinc/34/31/36/183343136.db2.gz BYZHWHACICRNBO-ZDUSSCGKSA-N 2 2 249.358 2.125 20 0 BEADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)on1 ZINC000336333321 183343139 /nfs/dbraw/zinc/34/31/39/183343139.db2.gz BYZHWHACICRNBO-ZDUSSCGKSA-N 2 2 249.358 2.125 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2C[C@H]3CC[C@@H]2C3)[nH+]1 ZINC000179788906 183348614 /nfs/dbraw/zinc/34/86/14/183348614.db2.gz DQFXKGBNVPTCCD-NWDGAFQWSA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2c(cccc2C[N@H+]2C[C@H]3CC[C@@H]2C3)[nH+]1 ZINC000179788906 183348616 /nfs/dbraw/zinc/34/86/16/183348616.db2.gz DQFXKGBNVPTCCD-NWDGAFQWSA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@H]2CCCSC2)[nH+]1 ZINC000270347282 183353775 /nfs/dbraw/zinc/35/37/75/183353775.db2.gz RKCOBHGSPBHNOZ-NSHDSACASA-N 2 2 247.367 2.320 20 0 BEADLP CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000063100404 169255480 /nfs/dbraw/zinc/25/54/80/169255480.db2.gz UYGUNTCVUJZRAO-UHFFFAOYSA-N 2 2 238.297 2.403 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(CC)cc1 ZINC000161339911 169258994 /nfs/dbraw/zinc/25/89/94/169258994.db2.gz JXWZDIZNWSILNU-UHFFFAOYSA-N 2 2 220.360 2.338 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cc(C)cc(C)c1 ZINC000161352050 169259084 /nfs/dbraw/zinc/25/90/84/169259084.db2.gz YURKIMFNHJKAGY-UHFFFAOYSA-N 2 2 220.360 2.393 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)c(C)c1 ZINC000161340347 169259564 /nfs/dbraw/zinc/25/95/64/169259564.db2.gz OYZDMOHDFOJKDC-UHFFFAOYSA-N 2 2 220.360 2.393 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccs1 ZINC000053388089 169260809 /nfs/dbraw/zinc/26/08/09/169260809.db2.gz YYEJZLWOFUREBQ-JTQLQIEISA-N 2 2 212.362 2.398 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000123909148 183372350 /nfs/dbraw/zinc/37/23/50/183372350.db2.gz GMQDXVPINSBIDJ-ZDUSSCGKSA-N 2 2 234.343 2.342 20 0 BEADLP c1cc2cc(O[C@@H]3CCC[NH2+]C3)ccc2c[nH+]1 ZINC000066080190 183374767 /nfs/dbraw/zinc/37/47/67/183374767.db2.gz NVJUVAVYDGABBK-CQSZACIVSA-N 2 2 228.295 2.366 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000224593740 169379772 /nfs/dbraw/zinc/37/97/72/169379772.db2.gz YIGLXOFCHRWTIB-NWDGAFQWSA-N 2 2 209.337 2.440 20 0 BEADLP CC(C)[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224605185 134349375 /nfs/dbraw/zinc/34/93/75/134349375.db2.gz LTYUNISUPAWHFR-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224605185 134349376 /nfs/dbraw/zinc/34/93/76/134349376.db2.gz LTYUNISUPAWHFR-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CCCn1cc[nH+]c1 ZINC000069665946 383837179 /nfs/dbraw/zinc/83/71/79/383837179.db2.gz CLWXKTDRDQYGEN-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cccc(F)c1F ZINC000035222825 383846223 /nfs/dbraw/zinc/84/62/23/383846223.db2.gz VHCLTMQEKXUQAD-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP Nc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000087782147 383864580 /nfs/dbraw/zinc/86/45/80/383864580.db2.gz BCVLDQAFDUAHQT-STQMWFEESA-N 2 2 231.343 2.428 20 0 BEADLP Nc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000087782147 383864583 /nfs/dbraw/zinc/86/45/83/383864583.db2.gz BCVLDQAFDUAHQT-STQMWFEESA-N 2 2 231.343 2.428 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131849786 383875488 /nfs/dbraw/zinc/87/54/88/383875488.db2.gz FWRUEMHSSOOAQD-SRVKXCTJSA-N 2 2 210.365 2.390 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131849786 383875490 /nfs/dbraw/zinc/87/54/90/383875490.db2.gz FWRUEMHSSOOAQD-SRVKXCTJSA-N 2 2 210.365 2.390 20 0 BEADLP CCC(CC)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000131944366 383907517 /nfs/dbraw/zinc/90/75/17/383907517.db2.gz AQQCETSLQMXRSY-PWSUYJOCSA-N 2 2 210.365 2.390 20 0 BEADLP CCC(CC)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000131944366 383907522 /nfs/dbraw/zinc/90/75/22/383907522.db2.gz AQQCETSLQMXRSY-PWSUYJOCSA-N 2 2 210.365 2.390 20 0 BEADLP COC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000089668361 383986318 /nfs/dbraw/zinc/98/63/18/383986318.db2.gz LTKURQYHGLVOKW-OAHLLOKOSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000113512844 383991435 /nfs/dbraw/zinc/99/14/35/383991435.db2.gz GLQHKEJUHZKUHA-CYBMUJFWSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000113512844 383991443 /nfs/dbraw/zinc/99/14/43/383991443.db2.gz GLQHKEJUHZKUHA-CYBMUJFWSA-N 2 2 236.334 2.209 20 0 BEADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000037140858 383945517 /nfs/dbraw/zinc/94/55/17/383945517.db2.gz ZMVLETYKDJGPGX-LBPRGKRZSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000070643261 383947525 /nfs/dbraw/zinc/94/75/25/383947525.db2.gz NPCJQAYQUWYYRM-WOPDTQHZSA-N 2 2 207.321 2.050 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000643545210 384012328 /nfs/dbraw/zinc/01/23/28/384012328.db2.gz NOEKRTSYFXDWBV-MWLCHTKSSA-N 2 2 239.388 2.244 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647216892 384029004 /nfs/dbraw/zinc/02/90/04/384029004.db2.gz KZOGGCABBDODTA-UHFFFAOYSA-N 2 2 243.301 2.130 20 0 BEADLP Cn1c[nH+]cc1CNc1ccc(C[NH+](C)C)cc1 ZINC000090166343 384032694 /nfs/dbraw/zinc/03/26/94/384032694.db2.gz GOLIISPPLZBEAF-UHFFFAOYSA-N 2 2 244.342 2.094 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647218298 384057715 /nfs/dbraw/zinc/05/77/15/384057715.db2.gz DCGNRQXIAIYYII-UHFFFAOYSA-N 2 2 232.318 2.248 20 0 BEADLP C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000647258041 384082493 /nfs/dbraw/zinc/08/24/93/384082493.db2.gz LHNSLGNDQBYMGY-CMPLNLGQSA-N 2 2 247.367 2.318 20 0 BEADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCC=CO3)CC2)[nH+]1 ZINC000375721080 384105501 /nfs/dbraw/zinc/10/55/01/384105501.db2.gz UTIVSKQVHJSBSJ-CYBMUJFWSA-N 2 2 247.342 2.282 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]Cc2ccccc2Cl)c1 ZINC000313250159 384151845 /nfs/dbraw/zinc/15/18/45/384151845.db2.gz BXRAAIYZAAMLLH-UHFFFAOYSA-N 2 2 249.745 2.406 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000093080902 384161557 /nfs/dbraw/zinc/16/15/57/384161557.db2.gz QZNGXRRABPXGNM-SDDRHHMPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000093080902 384161559 /nfs/dbraw/zinc/16/15/59/384161559.db2.gz QZNGXRRABPXGNM-SDDRHHMPSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000041064051 384176170 /nfs/dbraw/zinc/17/61/70/384176170.db2.gz WNYTWWQYPYJWRC-NSHDSACASA-N 2 2 233.290 2.373 20 0 BEADLP CCC[C@@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313257238 384165951 /nfs/dbraw/zinc/16/59/51/384165951.db2.gz VKEMAKXJYVFAHV-LLVKDONJSA-N 2 2 209.337 2.131 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000268340536 384180019 /nfs/dbraw/zinc/18/00/19/384180019.db2.gz RURPQOUXLHWJCD-OLZOCXBDSA-N 2 2 231.343 2.063 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000268340536 384180024 /nfs/dbraw/zinc/18/00/24/384180024.db2.gz RURPQOUXLHWJCD-OLZOCXBDSA-N 2 2 231.343 2.063 20 0 BEADLP c1cn(C2CC[NH+](Cc3cncs3)CC2)c[nH+]1 ZINC000092648441 384187886 /nfs/dbraw/zinc/18/78/86/384187886.db2.gz OGFMDEFKGYYIMK-UHFFFAOYSA-N 2 2 248.355 2.177 20 0 BEADLP C[N@H+](CCCc1ccccc1)CCn1cc[nH+]c1 ZINC000119096081 384233345 /nfs/dbraw/zinc/23/33/45/384233345.db2.gz DASJIOWNLPGDJE-UHFFFAOYSA-N 2 2 243.354 2.448 20 0 BEADLP C[N@@H+](CCCc1ccccc1)CCn1cc[nH+]c1 ZINC000119096081 384233348 /nfs/dbraw/zinc/23/33/48/384233348.db2.gz DASJIOWNLPGDJE-UHFFFAOYSA-N 2 2 243.354 2.448 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313292316 384236419 /nfs/dbraw/zinc/23/64/19/384236419.db2.gz HTGPYDMELFNXKV-CHWSQXEVSA-N 2 2 235.375 2.379 20 0 BEADLP C[N@H+](CC[NH3+])CCc1ccc2ccccc2c1 ZINC000228254989 384213394 /nfs/dbraw/zinc/21/33/94/384213394.db2.gz FKCILJYVPIJBFX-UHFFFAOYSA-N 2 2 228.339 2.273 20 0 BEADLP C[N@@H+](CC[NH3+])CCc1ccc2ccccc2c1 ZINC000228254989 384213399 /nfs/dbraw/zinc/21/33/99/384213399.db2.gz FKCILJYVPIJBFX-UHFFFAOYSA-N 2 2 228.339 2.273 20 0 BEADLP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000236188605 384222927 /nfs/dbraw/zinc/22/29/27/384222927.db2.gz IDJZMBPPSGFJMP-SNVBAGLBSA-N 2 2 242.725 2.321 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cncs1 ZINC000132383726 384226745 /nfs/dbraw/zinc/22/67/45/384226745.db2.gz HFIHJICWKUMGGX-NXEZZACHSA-N 2 2 236.344 2.079 20 0 BEADLP CCC[N@H+](CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000082425354 384227956 /nfs/dbraw/zinc/22/79/56/384227956.db2.gz IQMZZBITOAUWPO-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[N@@H+](CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000082425354 384227963 /nfs/dbraw/zinc/22/79/63/384227963.db2.gz IQMZZBITOAUWPO-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000313279380 384228386 /nfs/dbraw/zinc/22/83/86/384228386.db2.gz CRHYRMAHBIYJAO-MBNYWOFBSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC(F)F ZINC000647317938 384244798 /nfs/dbraw/zinc/24/47/98/384244798.db2.gz AHOOGNITXWKRLY-JBLDHEPKSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)CC(F)F ZINC000647317938 384244804 /nfs/dbraw/zinc/24/48/04/384244804.db2.gz AHOOGNITXWKRLY-JBLDHEPKSA-N 2 2 246.345 2.350 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082859324 384270501 /nfs/dbraw/zinc/27/05/01/384270501.db2.gz PERBTEJGTXYEST-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082859324 384270507 /nfs/dbraw/zinc/27/05/07/384270507.db2.gz PERBTEJGTXYEST-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@@H]1C ZINC000313300214 384241876 /nfs/dbraw/zinc/24/18/76/384241876.db2.gz OGUGQJXXFQJMRP-FRRDWIJNSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@H]1C ZINC000313300216 384242038 /nfs/dbraw/zinc/24/20/38/384242038.db2.gz OGUGQJXXFQJMRP-JHJVBQTASA-N 2 2 235.375 2.377 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000083055780 384278722 /nfs/dbraw/zinc/27/87/22/384278722.db2.gz OXDBKLQXAUZEOO-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000083055780 384278724 /nfs/dbraw/zinc/27/87/24/384278724.db2.gz OXDBKLQXAUZEOO-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000134587323 384370232 /nfs/dbraw/zinc/37/02/32/384370232.db2.gz UDLKHUMWTQHNFQ-LBPRGKRZSA-N 2 2 247.342 2.027 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000228778451 384326052 /nfs/dbraw/zinc/32/60/52/384326052.db2.gz XTLPCIQOTSRLLX-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000228778451 384326056 /nfs/dbraw/zinc/32/60/56/384326056.db2.gz XTLPCIQOTSRLLX-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084342739 384392927 /nfs/dbraw/zinc/39/29/27/384392927.db2.gz OHKRTDLXXXAIOO-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084342739 384392932 /nfs/dbraw/zinc/39/29/32/384392932.db2.gz OHKRTDLXXXAIOO-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP C[C@]1(C[NH3+])CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000235707683 384399172 /nfs/dbraw/zinc/39/91/72/384399172.db2.gz FIUMKYYWKOMCKO-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000235707683 384399177 /nfs/dbraw/zinc/39/91/77/384399177.db2.gz FIUMKYYWKOMCKO-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP CCC[C@H]([NH2+]CC[NH+](C)C)C1CCCC1 ZINC000313475998 384413856 /nfs/dbraw/zinc/41/38/56/384413856.db2.gz TVULSEUXDGIZPF-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000304602226 384418170 /nfs/dbraw/zinc/41/81/70/384418170.db2.gz QPPSUWITYQQHFY-IACUBPJLSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000304602226 384418178 /nfs/dbraw/zinc/41/81/78/384418178.db2.gz QPPSUWITYQQHFY-IACUBPJLSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000370590561 384420427 /nfs/dbraw/zinc/42/04/27/384420427.db2.gz WYJREKFIHYRVOI-UKRRQHHQSA-N 2 2 247.386 2.259 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000035776101 384423269 /nfs/dbraw/zinc/42/32/69/384423269.db2.gz RJSGQTHTVWZCDQ-JTQLQIEISA-N 2 2 201.273 2.261 20 0 BEADLP COCc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000521370307 384424892 /nfs/dbraw/zinc/42/48/92/384424892.db2.gz PQSGWEQCQRQPFE-UHFFFAOYSA-N 2 2 248.370 2.015 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000335606484 384381934 /nfs/dbraw/zinc/38/19/34/384381934.db2.gz ORYKGDDCNBOJDS-JOYOIKCWSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000335606484 384381939 /nfs/dbraw/zinc/38/19/39/384381939.db2.gz ORYKGDDCNBOJDS-JOYOIKCWSA-N 2 2 224.373 2.096 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312744310 384452236 /nfs/dbraw/zinc/45/22/36/384452236.db2.gz LGGADQFBIWZYSS-QMMMGPOBSA-N 2 2 218.753 2.228 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cscn1 ZINC000161128478 384467457 /nfs/dbraw/zinc/46/74/57/384467457.db2.gz DNGNPXNMSOXQSK-SNVBAGLBSA-N 2 2 241.404 2.382 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](CC)CC)C(C)C ZINC000037202019 384489758 /nfs/dbraw/zinc/48/97/58/384489758.db2.gz ISDWCZRJHQXZIC-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000097050802 384491717 /nfs/dbraw/zinc/49/17/17/384491717.db2.gz GKBWQQSWLKFEGV-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CO1 ZINC000647178705 384517988 /nfs/dbraw/zinc/51/79/88/384517988.db2.gz DNRCCGARHUYPAW-OLZOCXBDSA-N 2 2 249.358 2.041 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000037741969 384526483 /nfs/dbraw/zinc/52/64/83/384526483.db2.gz TZIMYYSTACVWEM-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000037741969 384526489 /nfs/dbraw/zinc/52/64/89/384526489.db2.gz TZIMYYSTACVWEM-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[NH+](C)C ZINC000647179738 384532526 /nfs/dbraw/zinc/53/25/26/384532526.db2.gz MWPLNXRALGDDFE-SECBINFHSA-N 2 2 220.307 2.104 20 0 BEADLP C[N@@H+](CCc1cccs1)CCn1cc[nH+]c1 ZINC000162069085 384568656 /nfs/dbraw/zinc/56/86/56/384568656.db2.gz UIFLIWIEBCLCIT-UHFFFAOYSA-N 2 2 235.356 2.119 20 0 BEADLP C[N@H+](CCc1cccs1)CCn1cc[nH+]c1 ZINC000162069085 384568662 /nfs/dbraw/zinc/56/86/62/384568662.db2.gz UIFLIWIEBCLCIT-UHFFFAOYSA-N 2 2 235.356 2.119 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000334758412 384568743 /nfs/dbraw/zinc/56/87/43/384568743.db2.gz VQRYYDKTYQVHFZ-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000334758412 384568749 /nfs/dbraw/zinc/56/87/49/384568749.db2.gz VQRYYDKTYQVHFZ-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309736455 384573642 /nfs/dbraw/zinc/57/36/42/384573642.db2.gz GPSFDKMRLKPKBQ-MWLCHTKSSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309736455 384573650 /nfs/dbraw/zinc/57/36/50/384573650.db2.gz GPSFDKMRLKPKBQ-MWLCHTKSSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]([N@H+](C)CCn1cc[nH+]c1)C1(C)CC1 ZINC000162225386 384590509 /nfs/dbraw/zinc/59/05/09/384590509.db2.gz UZJPHOOEZVDTGR-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]([N@@H+](C)CCn1cc[nH+]c1)C1(C)CC1 ZINC000162225386 384590514 /nfs/dbraw/zinc/59/05/14/384590514.db2.gz UZJPHOOEZVDTGR-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643069237 384575151 /nfs/dbraw/zinc/57/51/51/384575151.db2.gz PXSOSSFGRXLPNX-JKSUJKDBSA-N 2 2 244.382 2.303 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643069237 384575160 /nfs/dbraw/zinc/57/51/60/384575160.db2.gz PXSOSSFGRXLPNX-JKSUJKDBSA-N 2 2 244.382 2.303 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)[NH+](C)C ZINC000309749605 384576702 /nfs/dbraw/zinc/57/67/02/384576702.db2.gz KCDLFFVXGKXNDU-AGIUHOORSA-N 2 2 230.371 2.445 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065498 384577285 /nfs/dbraw/zinc/57/72/85/384577285.db2.gz BZHYOFULKJABQM-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065498 384577289 /nfs/dbraw/zinc/57/72/89/384577289.db2.gz BZHYOFULKJABQM-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066952 384578896 /nfs/dbraw/zinc/57/88/96/384578896.db2.gz VWJIKJZSBMJYAQ-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066952 384578899 /nfs/dbraw/zinc/57/88/99/384578899.db2.gz VWJIKJZSBMJYAQ-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643066413 384580472 /nfs/dbraw/zinc/58/04/72/384580472.db2.gz OBRDFLKUWHOUQM-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643066413 384580478 /nfs/dbraw/zinc/58/04/78/384580478.db2.gz OBRDFLKUWHOUQM-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643071179 384590885 /nfs/dbraw/zinc/59/08/85/384590885.db2.gz ZLKLTKVNLNWZEZ-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643071179 384590895 /nfs/dbraw/zinc/59/08/95/384590895.db2.gz ZLKLTKVNLNWZEZ-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000162224976 384589697 /nfs/dbraw/zinc/58/96/97/384589697.db2.gz SZAMJFCUUQFBLG-UHFFFAOYSA-N 2 2 233.290 2.154 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000162224976 384589702 /nfs/dbraw/zinc/58/97/02/384589702.db2.gz SZAMJFCUUQFBLG-UHFFFAOYSA-N 2 2 233.290 2.154 20 0 BEADLP CC(C)=CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309782385 384603665 /nfs/dbraw/zinc/60/36/65/384603665.db2.gz NFOWLWCHBYWBBP-TZMCWYRMSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)=CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309782385 384603675 /nfs/dbraw/zinc/60/36/75/384603675.db2.gz NFOWLWCHBYWBBP-TZMCWYRMSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)=CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309782384 384605178 /nfs/dbraw/zinc/60/51/78/384605178.db2.gz NFOWLWCHBYWBBP-OCCSQVGLSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)=CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309782384 384605187 /nfs/dbraw/zinc/60/51/87/384605187.db2.gz NFOWLWCHBYWBBP-OCCSQVGLSA-N 2 2 222.376 2.415 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H](C)CC(C)C ZINC000300867683 384608164 /nfs/dbraw/zinc/60/81/64/384608164.db2.gz HFPVVECHBKBZCO-GFCCVEGCSA-N 2 2 200.370 2.210 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H](C)CC(C)C ZINC000300867683 384608173 /nfs/dbraw/zinc/60/81/73/384608173.db2.gz HFPVVECHBKBZCO-GFCCVEGCSA-N 2 2 200.370 2.210 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000020506283 384618902 /nfs/dbraw/zinc/61/89/02/384618902.db2.gz WLSSOLNFMVQOJZ-LBPRGKRZSA-N 2 2 230.315 2.019 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccco1 ZINC000020506266 384620164 /nfs/dbraw/zinc/62/01/64/384620164.db2.gz OASODNNFHDGXOI-LLVKDONJSA-N 2 2 219.288 2.217 20 0 BEADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000309801132 384622108 /nfs/dbraw/zinc/62/21/08/384622108.db2.gz RFJDBCWHNURSPC-AGIUHOORSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643069775 384591794 /nfs/dbraw/zinc/59/17/94/384591794.db2.gz XTZKMUJFVDUAIO-HIFRSBDPSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643069775 384591799 /nfs/dbraw/zinc/59/17/99/384591799.db2.gz XTZKMUJFVDUAIO-HIFRSBDPSA-N 2 2 230.355 2.179 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[C@H]1C ZINC000309767028 384594713 /nfs/dbraw/zinc/59/47/13/384594713.db2.gz JPXRFDCZTUFIIF-LARJDALCSA-N 2 2 222.376 2.246 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@H]1C ZINC000309767028 384594718 /nfs/dbraw/zinc/59/47/18/384594718.db2.gz JPXRFDCZTUFIIF-LARJDALCSA-N 2 2 222.376 2.246 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356829743 384665266 /nfs/dbraw/zinc/66/52/66/384665266.db2.gz ALRUMBZUQLGPPT-DZGCQCFKSA-N 2 2 248.370 2.337 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000647531693 384634351 /nfs/dbraw/zinc/63/43/51/384634351.db2.gz SNUBSGYLFGNTKI-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP CC(C)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000124391534 384637865 /nfs/dbraw/zinc/63/78/65/384637865.db2.gz VUANRMVNUQRQSN-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP CC(C)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124391534 384637873 /nfs/dbraw/zinc/63/78/73/384637873.db2.gz VUANRMVNUQRQSN-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000309608828 384638255 /nfs/dbraw/zinc/63/82/55/384638255.db2.gz ZINXVFXBWIYHPC-WDEREUQCSA-N 2 2 221.348 2.222 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000403356125 384640872 /nfs/dbraw/zinc/64/08/72/384640872.db2.gz XCEWEPGDTTZYHQ-KSTCHIGDSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C[N@H+]1C1CC1 ZINC000403356125 384640879 /nfs/dbraw/zinc/64/08/79/384640879.db2.gz XCEWEPGDTTZYHQ-KSTCHIGDSA-N 2 2 234.387 2.390 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533317 384642329 /nfs/dbraw/zinc/64/23/29/384642329.db2.gz PGORYJRJPWWTLE-RYUDHWBXSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533317 384642334 /nfs/dbraw/zinc/64/23/34/384642334.db2.gz PGORYJRJPWWTLE-RYUDHWBXSA-N 2 2 236.384 2.240 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC(C)(C)C ZINC000041051380 384654593 /nfs/dbraw/zinc/65/45/93/384654593.db2.gz NQJOVYXXLFEORA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP c1cn(CC[NH2+][C@H]2CC3CCC2CC3)c[nH+]1 ZINC000309838567 384657739 /nfs/dbraw/zinc/65/77/39/384657739.db2.gz NCDGICPEMQGEFH-BPCQOVAHSA-N 2 2 219.332 2.051 20 0 BEADLP CC(C)CC[C@@H]([NH2+]CC[NH+](C)C)C1CC1 ZINC000336660274 384689724 /nfs/dbraw/zinc/68/97/24/384689724.db2.gz BURCSADVJSHMCN-CYBMUJFWSA-N 2 2 212.381 2.352 20 0 BEADLP Clc1c[nH+]ccc1NCCn1cc[nH+]c1 ZINC000086833091 384700137 /nfs/dbraw/zinc/70/01/37/384700137.db2.gz KBELCSMYYHCKNJ-UHFFFAOYSA-N 2 2 222.679 2.044 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccco1 ZINC000126168103 384777990 /nfs/dbraw/zinc/77/79/90/384777990.db2.gz YDKLFIVPTXBUGY-UHFFFAOYSA-N 2 2 216.284 2.315 20 0 BEADLP C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052274136 384729068 /nfs/dbraw/zinc/72/90/68/384729068.db2.gz GZHRLTNRCPXPPR-BXUZGUMPSA-N 2 2 227.311 2.370 20 0 BEADLP C[C@H](NCC1([NH3+])CCCCCC1)c1[nH]cc[nH+]1 ZINC000423205464 384760242 /nfs/dbraw/zinc/76/02/42/384760242.db2.gz VSOSUFUQVGTNNQ-NSHDSACASA-N 2 2 236.363 2.112 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ncc[nH]1 ZINC000423205464 384760249 /nfs/dbraw/zinc/76/02/49/384760249.db2.gz VSOSUFUQVGTNNQ-NSHDSACASA-N 2 2 236.363 2.112 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000163175206 384761070 /nfs/dbraw/zinc/76/10/70/384761070.db2.gz FCAMMLPCTXFNIB-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000163175206 384761076 /nfs/dbraw/zinc/76/10/76/384761076.db2.gz FCAMMLPCTXFNIB-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)nc1 ZINC000647553540 384768470 /nfs/dbraw/zinc/76/84/70/384768470.db2.gz CLILTLRQSMULNF-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554216 384772766 /nfs/dbraw/zinc/77/27/66/384772766.db2.gz UEZDNBGOLWRIDG-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000226013939 384831008 /nfs/dbraw/zinc/83/10/08/384831008.db2.gz HXGYAJZAQWJKMO-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000226013939 384831016 /nfs/dbraw/zinc/83/10/16/384831016.db2.gz HXGYAJZAQWJKMO-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000622003954 384785639 /nfs/dbraw/zinc/78/56/39/384785639.db2.gz IFRAKZPNSQJQAG-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000622003954 384785642 /nfs/dbraw/zinc/78/56/42/384785642.db2.gz IFRAKZPNSQJQAG-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP CCC1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000310023782 384789142 /nfs/dbraw/zinc/78/91/42/384789142.db2.gz OLHJBMQJQDOVPN-XVSSEFHLSA-N 2 2 222.376 2.390 20 0 BEADLP CCC1CC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000310023782 384789149 /nfs/dbraw/zinc/78/91/49/384789149.db2.gz OLHJBMQJQDOVPN-XVSSEFHLSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000053389600 384789121 /nfs/dbraw/zinc/78/91/21/384789121.db2.gz ULSWXRVLIQITSQ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000053389600 384789126 /nfs/dbraw/zinc/78/91/26/384789126.db2.gz ULSWXRVLIQITSQ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000310022319 384789364 /nfs/dbraw/zinc/78/93/64/384789364.db2.gz NZUJLXTZRUIBSU-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000310022319 384789372 /nfs/dbraw/zinc/78/93/72/384789372.db2.gz NZUJLXTZRUIBSU-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCC1CCCC1 ZINC000308613627 384871687 /nfs/dbraw/zinc/87/16/87/384871687.db2.gz NYGTZEINFFFYOC-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000398211280 384844685 /nfs/dbraw/zinc/84/46/85/384844685.db2.gz SJCOQXGCGXWQOX-GWCFXTLKSA-N 2 2 204.317 2.075 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403668469 384851309 /nfs/dbraw/zinc/85/13/09/384851309.db2.gz NFMLDSUDUZTRFU-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127005908 384852755 /nfs/dbraw/zinc/85/27/55/384852755.db2.gz BRUKTBUCYFGOLY-VXGBXAGGSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127005908 384852762 /nfs/dbraw/zinc/85/27/62/384852762.db2.gz BRUKTBUCYFGOLY-VXGBXAGGSA-N 2 2 222.332 2.160 20 0 BEADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000105457528 384869536 /nfs/dbraw/zinc/86/95/36/384869536.db2.gz RWYBBXSHLYNFRM-ZDUSSCGKSA-N 2 2 236.359 2.490 20 0 BEADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000105457528 384869541 /nfs/dbraw/zinc/86/95/41/384869541.db2.gz RWYBBXSHLYNFRM-ZDUSSCGKSA-N 2 2 236.359 2.490 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127810448 384950607 /nfs/dbraw/zinc/95/06/07/384950607.db2.gz OLYHVMKPAAYETA-GFCCVEGCSA-N 2 2 238.350 2.471 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000127810448 384950613 /nfs/dbraw/zinc/95/06/13/384950613.db2.gz OLYHVMKPAAYETA-GFCCVEGCSA-N 2 2 238.350 2.471 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@H]1C ZINC000245388200 384905992 /nfs/dbraw/zinc/90/59/92/384905992.db2.gz CAGJPCCRFKAEFN-JFGNBEQYSA-N 2 2 207.321 2.324 20 0 BEADLP C[C@@H](Nc1cccc[nH+]1)C(C)(C)C[NH+](C)C ZINC000301661310 384908502 /nfs/dbraw/zinc/90/85/02/384908502.db2.gz XPWJPONEQZDTFV-LLVKDONJSA-N 2 2 221.348 2.470 20 0 BEADLP Cc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])c[nH+]1 ZINC000164558191 384924281 /nfs/dbraw/zinc/92/42/81/384924281.db2.gz LUICUAHFYLVLOS-YPMHNXCESA-N 2 2 219.332 2.319 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc(C)c(C)cc1C ZINC000258800224 384935583 /nfs/dbraw/zinc/93/55/83/384935583.db2.gz CUQYMNPEZWDRTI-UHFFFAOYSA-N 2 2 220.360 2.311 20 0 BEADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000258909725 384945112 /nfs/dbraw/zinc/94/51/12/384945112.db2.gz NECPRQQIENLMKA-HNNXBMFYSA-N 2 2 232.371 2.453 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000222590591 384962802 /nfs/dbraw/zinc/96/28/02/384962802.db2.gz BYDCILIPQINVBB-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000222590591 384962807 /nfs/dbraw/zinc/96/28/07/384962807.db2.gz BYDCILIPQINVBB-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000157058728 385055535 /nfs/dbraw/zinc/05/55/35/385055535.db2.gz JBNGQOVWUHISAN-AWEZNQCLSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000157058728 385055539 /nfs/dbraw/zinc/05/55/39/385055539.db2.gz JBNGQOVWUHISAN-AWEZNQCLSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000189914577 385194187 /nfs/dbraw/zinc/19/41/87/385194187.db2.gz DRRNHVXNWKPDEF-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000189914577 385194197 /nfs/dbraw/zinc/19/41/97/385194197.db2.gz DRRNHVXNWKPDEF-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189914577 385194204 /nfs/dbraw/zinc/19/42/04/385194204.db2.gz DRRNHVXNWKPDEF-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189914577 385194212 /nfs/dbraw/zinc/19/42/12/385194212.db2.gz DRRNHVXNWKPDEF-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000227423858 385144647 /nfs/dbraw/zinc/14/46/47/385144647.db2.gz YORHCCDGKYTCGV-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000227423858 385144652 /nfs/dbraw/zinc/14/46/52/385144652.db2.gz YORHCCDGKYTCGV-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000235088881 385170850 /nfs/dbraw/zinc/17/08/50/385170850.db2.gz PZAHVCYKCZFBQZ-GWCFXTLKSA-N 2 2 236.384 2.188 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000235088881 385170857 /nfs/dbraw/zinc/17/08/57/385170857.db2.gz PZAHVCYKCZFBQZ-GWCFXTLKSA-N 2 2 236.384 2.188 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000308844884 385207370 /nfs/dbraw/zinc/20/73/70/385207370.db2.gz OWPMNPGFPMPEIJ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC1(C)C)C1CC1 ZINC000308844884 385207374 /nfs/dbraw/zinc/20/73/74/385207374.db2.gz OWPMNPGFPMPEIJ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCC1 ZINC000177311088 385219178 /nfs/dbraw/zinc/21/91/78/385219178.db2.gz KBQNNLBUURHPGQ-UHFFFAOYSA-N 2 2 242.326 2.252 20 0 BEADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCC1 ZINC000177311088 385219189 /nfs/dbraw/zinc/21/91/89/385219189.db2.gz KBQNNLBUURHPGQ-UHFFFAOYSA-N 2 2 242.326 2.252 20 0 BEADLP CC(C)(C)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783584 385228266 /nfs/dbraw/zinc/22/82/66/385228266.db2.gz QCXJRHUAXWNCCM-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)(C)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783584 385228270 /nfs/dbraw/zinc/22/82/70/385228270.db2.gz QCXJRHUAXWNCCM-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cnc(C[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000294897310 385303114 /nfs/dbraw/zinc/30/31/14/385303114.db2.gz YYKCGBSAKPMBRH-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP Cc1cnc(C[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000294897310 385303117 /nfs/dbraw/zinc/30/31/17/385303117.db2.gz YYKCGBSAKPMBRH-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000308954324 385307727 /nfs/dbraw/zinc/30/77/27/385307727.db2.gz QCATZNNEJZQJDM-GFCCVEGCSA-N 2 2 210.365 2.274 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000308954324 385307731 /nfs/dbraw/zinc/30/77/31/385307731.db2.gz QCATZNNEJZQJDM-GFCCVEGCSA-N 2 2 210.365 2.274 20 0 BEADLP CCC1CC([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000308906481 385280774 /nfs/dbraw/zinc/28/07/74/385280774.db2.gz CQYSVTBUZWGOAC-UNXYVOJBSA-N 2 2 207.321 2.050 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000308921674 385294267 /nfs/dbraw/zinc/29/42/67/385294267.db2.gz HGBARCXBIWRZSA-UWVGGRQHSA-N 2 2 207.321 2.045 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000308921674 385294270 /nfs/dbraw/zinc/29/42/70/385294270.db2.gz HGBARCXBIWRZSA-UWVGGRQHSA-N 2 2 207.321 2.045 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309056015 385386970 /nfs/dbraw/zinc/38/69/70/385386970.db2.gz ULNWOEKINDJTIM-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC(C)C)CCC2 ZINC000378353987 385440323 /nfs/dbraw/zinc/44/03/23/385440323.db2.gz HPILKMQFKYSIDC-LBPRGKRZSA-N 2 2 221.348 2.315 20 0 BEADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1C ZINC000194261726 385427787 /nfs/dbraw/zinc/42/77/87/385427787.db2.gz IRPDRQQBDMGODI-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1C ZINC000194261726 385427792 /nfs/dbraw/zinc/42/77/92/385427792.db2.gz IRPDRQQBDMGODI-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)CCC[N@@H+]1C ZINC000309144297 385434064 /nfs/dbraw/zinc/43/40/64/385434064.db2.gz URDQASBANGIECO-UTUOFQBUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)CCC[N@H+]1C ZINC000309144297 385434069 /nfs/dbraw/zinc/43/40/69/385434069.db2.gz URDQASBANGIECO-UTUOFQBUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1F)[NH+](C)C ZINC000157364896 385497783 /nfs/dbraw/zinc/49/77/83/385497783.db2.gz JIFGOYOUGFHMOU-NWDGAFQWSA-N 2 2 238.350 2.296 20 0 BEADLP Cc1ccoc1C[NH2+]CCC[NH+]1CCCC1 ZINC000157331792 385498633 /nfs/dbraw/zinc/49/86/33/385498633.db2.gz ABQABUFAAMESGQ-UHFFFAOYSA-N 2 2 222.332 2.164 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH+](C)C ZINC000157943109 385540192 /nfs/dbraw/zinc/54/01/92/385540192.db2.gz DORVVXDCAIADHB-RYUDHWBXSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)[C@H]1C ZINC000309468976 385599046 /nfs/dbraw/zinc/59/90/46/385599046.db2.gz QQCRPYIKUDHPQI-VOAKCMCISA-N 2 2 242.432 2.058 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000269635708 385615195 /nfs/dbraw/zinc/61/51/95/385615195.db2.gz QVHAVHQESPLNDZ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000269635708 385615198 /nfs/dbraw/zinc/61/51/98/385615198.db2.gz QVHAVHQESPLNDZ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000269635708 385615202 /nfs/dbraw/zinc/61/52/02/385615202.db2.gz QVHAVHQESPLNDZ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000269635708 385615204 /nfs/dbraw/zinc/61/52/04/385615204.db2.gz QVHAVHQESPLNDZ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP c1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000269712129 385629684 /nfs/dbraw/zinc/62/96/84/385629684.db2.gz QEMBQQFIVBCGNN-UHFFFAOYSA-N 2 2 248.355 2.177 20 0 BEADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414850042 385635215 /nfs/dbraw/zinc/63/52/15/385635215.db2.gz RYPHHVCCGDHUAC-VXYRWZGASA-N 2 2 234.318 2.181 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000063191660 385609904 /nfs/dbraw/zinc/60/99/04/385609904.db2.gz LSEHYPHIDROMMD-JQWIXIFHSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000063191660 385609910 /nfs/dbraw/zinc/60/99/10/385609910.db2.gz LSEHYPHIDROMMD-JQWIXIFHSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000063191661 385610112 /nfs/dbraw/zinc/61/01/12/385610112.db2.gz LSEHYPHIDROMMD-PWSUYJOCSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000063191661 385610115 /nfs/dbraw/zinc/61/01/15/385610115.db2.gz LSEHYPHIDROMMD-PWSUYJOCSA-N 2 2 224.373 2.450 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414519832 385654746 /nfs/dbraw/zinc/65/47/46/385654746.db2.gz BUIQOYNXAQDXLQ-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000414519832 385654749 /nfs/dbraw/zinc/65/47/49/385654749.db2.gz BUIQOYNXAQDXLQ-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414852190 385675922 /nfs/dbraw/zinc/67/59/22/385675922.db2.gz VRGIUWRWAAHMNB-LBPRGKRZSA-N 2 2 238.762 2.490 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000309585837 385718746 /nfs/dbraw/zinc/71/87/46/385718746.db2.gz VMSUHWCEGBTRGX-QWHCGFSZSA-N 2 2 219.332 2.051 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000414854812 385696225 /nfs/dbraw/zinc/69/62/25/385696225.db2.gz VPPYSXLXWKIEGU-ZDUSSCGKSA-N 2 2 242.313 2.428 20 0 BEADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCC1 ZINC000309585246 385716603 /nfs/dbraw/zinc/71/66/03/385716603.db2.gz RNZVHYWEDHWDNH-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000414858672 385735992 /nfs/dbraw/zinc/73/59/92/385735992.db2.gz KLXCJAZVEFGVLO-UHFFFAOYSA-N 2 2 245.326 2.041 20 0 BEADLP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCS1 ZINC000183182941 385740533 /nfs/dbraw/zinc/74/05/33/385740533.db2.gz WQPZDKLGXAHCRK-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCS1 ZINC000183182941 385740536 /nfs/dbraw/zinc/74/05/36/385740536.db2.gz WQPZDKLGXAHCRK-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC[NH+]1CCCC1 ZINC000186210615 385746937 /nfs/dbraw/zinc/74/69/37/385746937.db2.gz QCAHJZXOSVVPOT-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414863796 385762577 /nfs/dbraw/zinc/76/25/77/385762577.db2.gz JBTNIXCXPHXTBI-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414865176 385768762 /nfs/dbraw/zinc/76/87/62/385768762.db2.gz CWQSKALFTIQNTQ-LLVKDONJSA-N 2 2 244.338 2.447 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cc(Cl)cs1 ZINC000414864962 385770297 /nfs/dbraw/zinc/77/02/97/385770297.db2.gz DQJAHDAOGUXDNH-UHFFFAOYSA-N 2 2 232.780 2.491 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000020126860 385770882 /nfs/dbraw/zinc/77/08/82/385770882.db2.gz FPKZSAMRNBUQLT-HNNXBMFYSA-N 2 2 230.355 2.359 20 0 BEADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000309660615 385777922 /nfs/dbraw/zinc/77/79/22/385777922.db2.gz ATLIOXGVPXMONX-RDBSUJKOSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309589093 385718890 /nfs/dbraw/zinc/71/88/90/385718890.db2.gz UCHWTRYTWONBSI-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309589093 385718894 /nfs/dbraw/zinc/71/88/94/385718894.db2.gz UCHWTRYTWONBSI-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]C/C=C\c1ccccc1OC ZINC000414954765 385829557 /nfs/dbraw/zinc/82/95/57/385829557.db2.gz KTWBQMARMDPBSA-FNOHHLHBSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414869727 385838594 /nfs/dbraw/zinc/83/85/94/385838594.db2.gz RPYBDYYFWJTFPK-BTKRWWFXSA-N 2 2 246.354 2.050 20 0 BEADLP CCC[NH2+]CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414870382 385846388 /nfs/dbraw/zinc/84/63/88/385846388.db2.gz MJCNBFWDPDHZRI-ONEGZZNKSA-N 2 2 236.334 2.428 20 0 BEADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC[NH+](C)C ZINC000282555225 385892811 /nfs/dbraw/zinc/89/28/11/385892811.db2.gz CXULEJBBVPFGPT-LLVKDONJSA-N 2 2 240.778 2.422 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOC1(C)C ZINC000294848083 385904451 /nfs/dbraw/zinc/90/44/51/385904451.db2.gz RUTLIWAHYUVHCI-CQSZACIVSA-N 2 2 248.370 2.480 20 0 BEADLP CC1(C)C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000335032875 385920962 /nfs/dbraw/zinc/92/09/62/385920962.db2.gz CBMCYFVEBOBYIT-FZMZJTMJSA-N 2 2 230.355 2.361 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335033496 385921257 /nfs/dbraw/zinc/92/12/57/385921257.db2.gz PZVQQJRPCYKCTF-WFASDCNBSA-N 2 2 230.355 2.324 20 0 BEADLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000335032873 385921544 /nfs/dbraw/zinc/92/15/44/385921544.db2.gz CBMCYFVEBOBYIT-BXUZGUMPSA-N 2 2 230.355 2.361 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000336767522 385922684 /nfs/dbraw/zinc/92/26/84/385922684.db2.gz SQSHEGDPEHLMJH-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000336767522 385922690 /nfs/dbraw/zinc/92/26/90/385922690.db2.gz SQSHEGDPEHLMJH-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189089151 385923755 /nfs/dbraw/zinc/92/37/55/385923755.db2.gz SJJBRIFRHILTFZ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189089151 385923763 /nfs/dbraw/zinc/92/37/63/385923763.db2.gz SJJBRIFRHILTFZ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414958803 385863497 /nfs/dbraw/zinc/86/34/97/385863497.db2.gz SMCMXQYAVPDWHU-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP CC[NH2+]Cc1ccccc1NCc1c[nH+]cn1C ZINC000414871949 385865019 /nfs/dbraw/zinc/86/50/19/385865019.db2.gz UVCOCYHTVGBJQK-UHFFFAOYSA-N 2 2 244.342 2.142 20 0 BEADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335038264 385928387 /nfs/dbraw/zinc/92/83/87/385928387.db2.gz IGPMQBGROOFIKY-GXTWGEPZSA-N 2 2 234.318 2.155 20 0 BEADLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000221141306 385979694 /nfs/dbraw/zinc/97/96/94/385979694.db2.gz PRVIUWVETDKZFF-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000221141306 385979698 /nfs/dbraw/zinc/97/96/98/385979698.db2.gz PRVIUWVETDKZFF-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCC23CCCC3)c[nH+]1 ZINC000189040620 385932022 /nfs/dbraw/zinc/93/20/22/385932022.db2.gz NAAVVFKKHROQEF-LBPRGKRZSA-N 2 2 219.332 2.196 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189043040 385932159 /nfs/dbraw/zinc/93/21/59/385932159.db2.gz REMGUPDEOIPKTB-CYBMUJFWSA-N 2 2 222.376 2.395 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1C ZINC000414968161 385936291 /nfs/dbraw/zinc/93/62/91/385936291.db2.gz YAVQZWFWBJTWNV-GFCCVEGCSA-N 2 2 206.333 2.083 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000338300424 385948020 /nfs/dbraw/zinc/94/80/20/385948020.db2.gz HVZBJVRKRJCRKL-AWEZNQCLSA-N 2 2 242.407 2.075 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000338300424 385948025 /nfs/dbraw/zinc/94/80/25/385948025.db2.gz HVZBJVRKRJCRKL-AWEZNQCLSA-N 2 2 242.407 2.075 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@](C)(F)C1 ZINC000338282546 385948566 /nfs/dbraw/zinc/94/85/66/385948566.db2.gz GQGBWBVUOMMXKW-GFCCVEGCSA-N 2 2 216.344 2.152 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC[C@@](C)(F)C1 ZINC000338282546 385948570 /nfs/dbraw/zinc/94/85/70/385948570.db2.gz GQGBWBVUOMMXKW-GFCCVEGCSA-N 2 2 216.344 2.152 20 0 BEADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1C ZINC000414077836 385949971 /nfs/dbraw/zinc/94/99/71/385949971.db2.gz ZKAGTTVLBUDEEB-MBNYWOFBSA-N 2 2 247.386 2.396 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054970 385953459 /nfs/dbraw/zinc/95/34/59/385953459.db2.gz PJKIADUXPQCHFW-IINYFYTJSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054970 385953463 /nfs/dbraw/zinc/95/34/63/385953463.db2.gz PJKIADUXPQCHFW-IINYFYTJSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054973 385954099 /nfs/dbraw/zinc/95/40/99/385954099.db2.gz PJKIADUXPQCHFW-YGRLFVJLSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054973 385954104 /nfs/dbraw/zinc/95/41/04/385954104.db2.gz PJKIADUXPQCHFW-YGRLFVJLSA-N 2 2 231.343 2.017 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000251524033 385955562 /nfs/dbraw/zinc/95/55/62/385955562.db2.gz LMEJTGYJXSDGSM-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000251524033 385955569 /nfs/dbraw/zinc/95/55/69/385955569.db2.gz LMEJTGYJXSDGSM-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000335056238 385956975 /nfs/dbraw/zinc/95/69/75/385956975.db2.gz BFYZJNVVTNTYRR-YPMHNXCESA-N 2 2 241.338 2.247 20 0 BEADLP C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000335057122 385957062 /nfs/dbraw/zinc/95/70/62/385957062.db2.gz XJGLYPNOZWBVST-ZWNOBZJWSA-N 2 2 231.343 2.207 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336768484 385958183 /nfs/dbraw/zinc/95/81/83/385958183.db2.gz UHVXBEYYDNXKMZ-RYUDHWBXSA-N 2 2 216.344 2.056 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336768484 385958190 /nfs/dbraw/zinc/95/81/90/385958190.db2.gz UHVXBEYYDNXKMZ-RYUDHWBXSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000647863756 385963168 /nfs/dbraw/zinc/96/31/68/385963168.db2.gz JSBMRADHXPRBAP-OCCSQVGLSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCC2CCCC2)CCO1 ZINC000647863756 385963175 /nfs/dbraw/zinc/96/31/75/385963175.db2.gz JSBMRADHXPRBAP-OCCSQVGLSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1noc(C)c1C(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000285834980 385969874 /nfs/dbraw/zinc/96/98/74/385969874.db2.gz XCSPDYMFFKBEBS-UHFFFAOYSA-N 2 2 248.330 2.013 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1C[C@H]1C ZINC000414108378 385969887 /nfs/dbraw/zinc/96/98/87/385969887.db2.gz LQDSMLUFEDICFD-PEBLQZBPSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1C[C@H]1C ZINC000414108378 385969894 /nfs/dbraw/zinc/96/98/94/385969894.db2.gz LQDSMLUFEDICFD-PEBLQZBPSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000336747193 385970234 /nfs/dbraw/zinc/97/02/34/385970234.db2.gz CDTXPPJKPPBZSU-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000336747193 385970239 /nfs/dbraw/zinc/97/02/39/385970239.db2.gz CDTXPPJKPPBZSU-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273133990 385973045 /nfs/dbraw/zinc/97/30/45/385973045.db2.gz VLBDSGGTNJABFH-MNOVXSKESA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273133990 385973054 /nfs/dbraw/zinc/97/30/54/385973054.db2.gz VLBDSGGTNJABFH-MNOVXSKESA-N 2 2 207.321 2.388 20 0 BEADLP Cc1cc[nH+]c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000286304836 386019899 /nfs/dbraw/zinc/01/98/99/386019899.db2.gz JSKBGOYHOZZATQ-KGLIPLIRSA-N 2 2 245.370 2.453 20 0 BEADLP C([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638582300 386033773 /nfs/dbraw/zinc/03/37/73/386033773.db2.gz MLAWMXHQSRHCCE-LXTVHRRPSA-N 2 2 234.387 2.106 20 0 BEADLP C([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638582300 386033776 /nfs/dbraw/zinc/03/37/76/386033776.db2.gz MLAWMXHQSRHCCE-LXTVHRRPSA-N 2 2 234.387 2.106 20 0 BEADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335064642 386035611 /nfs/dbraw/zinc/03/56/11/386035611.db2.gz IBEIDLWHYGRULP-NWDGAFQWSA-N 2 2 242.725 2.449 20 0 BEADLP CO[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000425422063 386040153 /nfs/dbraw/zinc/04/01/53/386040153.db2.gz WKVBYVOFOQBHOO-AWEZNQCLSA-N 2 2 249.358 2.014 20 0 BEADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1 ZINC000453056534 386115283 /nfs/dbraw/zinc/11/52/83/386115283.db2.gz LIXHNEARYFIKRS-CQSZACIVSA-N 2 2 244.342 2.409 20 0 BEADLP Fc1ccccc1C[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647873409 386120210 /nfs/dbraw/zinc/12/02/10/386120210.db2.gz HADPZCGHVRPRQQ-LBPRGKRZSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1ccccc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647873409 386120217 /nfs/dbraw/zinc/12/02/17/386120217.db2.gz HADPZCGHVRPRQQ-LBPRGKRZSA-N 2 2 248.345 2.400 20 0 BEADLP FCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000286635331 386060270 /nfs/dbraw/zinc/06/02/70/386060270.db2.gz ZPPZIYRKZWXTLZ-UHFFFAOYSA-N 2 2 225.311 2.270 20 0 BEADLP CC[N@H+](Cc1nccs1)[C@@H]1CCC[NH2+]CC1 ZINC000345211091 386060383 /nfs/dbraw/zinc/06/03/83/386060383.db2.gz SYAYSEJWDGKHOX-LLVKDONJSA-N 2 2 239.388 2.107 20 0 BEADLP CC[N@@H+](Cc1nccs1)[C@@H]1CCC[NH2+]CC1 ZINC000345211091 386060387 /nfs/dbraw/zinc/06/03/87/386060387.db2.gz SYAYSEJWDGKHOX-LLVKDONJSA-N 2 2 239.388 2.107 20 0 BEADLP CCSCC[NH2+]CC[NH+]1CCCCCC1 ZINC000336753486 386061231 /nfs/dbraw/zinc/06/12/31/386061231.db2.gz GSJYKAXIXQIEIA-UHFFFAOYSA-N 2 2 230.421 2.205 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000286911192 386083106 /nfs/dbraw/zinc/08/31/06/386083106.db2.gz FCGSJYZNBGGQLT-CQSZACIVSA-N 2 2 233.359 2.085 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000414987918 386122882 /nfs/dbraw/zinc/12/28/82/386122882.db2.gz ZLGJRQRWHRFKSD-SNVBAGLBSA-N 2 2 212.724 2.167 20 0 BEADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000287019406 386091426 /nfs/dbraw/zinc/09/14/26/386091426.db2.gz LBASJBNQHHAJIE-OAHLLOKOSA-N 2 2 234.387 2.405 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]Cc1cccc(F)c1 ZINC000161457821 386091977 /nfs/dbraw/zinc/09/19/77/386091977.db2.gz UGGWUXZRCZNLHI-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000334457790 386097089 /nfs/dbraw/zinc/09/70/89/386097089.db2.gz PVKJLRFOZMJKJC-CHWSQXEVSA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000334457790 386097093 /nfs/dbraw/zinc/09/70/93/386097093.db2.gz PVKJLRFOZMJKJC-CHWSQXEVSA-N 2 2 208.349 2.169 20 0 BEADLP CCC1(C)CCC([NH2+]CC[NH2+]CCOC)CC1 ZINC000414892346 386150469 /nfs/dbraw/zinc/15/04/69/386150469.db2.gz WYJXNMVBHWMOTJ-UHFFFAOYSA-N 2 2 242.407 2.171 20 0 BEADLP CC[NH+](CC)[C@H](C)CNc1[nH+]cnc2[nH]ccc21 ZINC000263806079 386177487 /nfs/dbraw/zinc/17/74/87/386177487.db2.gz RVIOPDGBBQUROP-SNVBAGLBSA-N 2 2 247.346 2.100 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccncc1F ZINC000338950206 386184926 /nfs/dbraw/zinc/18/49/26/386184926.db2.gz XJKVXNGEDQTMHR-QWRGUYRKSA-N 2 2 239.338 2.212 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC000235704147 386185880 /nfs/dbraw/zinc/18/58/80/386185880.db2.gz UHFKGKOLACTLSW-JQWIXIFHSA-N 2 2 247.342 2.025 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)s1 ZINC000163685067 386139832 /nfs/dbraw/zinc/13/98/32/386139832.db2.gz QMKBEWGYMPKIMB-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)s1 ZINC000163685067 386139838 /nfs/dbraw/zinc/13/98/38/386139838.db2.gz QMKBEWGYMPKIMB-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000414697040 386202968 /nfs/dbraw/zinc/20/29/68/386202968.db2.gz PPXPWEKKEAQURU-ZIAGYGMSSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCOC[C@H]1CC(C)C ZINC000414697040 386202972 /nfs/dbraw/zinc/20/29/72/386202972.db2.gz PPXPWEKKEAQURU-ZIAGYGMSSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2ccsc2C1 ZINC000414700063 386204041 /nfs/dbraw/zinc/20/40/41/386204041.db2.gz KCYCSLBHLHVHQE-LBPRGKRZSA-N 2 2 238.400 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2ccsc2C1 ZINC000414700063 386204046 /nfs/dbraw/zinc/20/40/46/386204046.db2.gz KCYCSLBHLHVHQE-LBPRGKRZSA-N 2 2 238.400 2.480 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000131381462 386205476 /nfs/dbraw/zinc/20/54/76/386205476.db2.gz XUQMHGHLQUGGJI-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000131381462 386205480 /nfs/dbraw/zinc/20/54/80/386205480.db2.gz XUQMHGHLQUGGJI-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP CC(C)[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000414703225 386211538 /nfs/dbraw/zinc/21/15/38/386211538.db2.gz JJBVIWDLJYKYBL-LBPRGKRZSA-N 2 2 244.448 2.448 20 0 BEADLP CC(C)[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000414703225 386211543 /nfs/dbraw/zinc/21/15/43/386211543.db2.gz JJBVIWDLJYKYBL-LBPRGKRZSA-N 2 2 244.448 2.448 20 0 BEADLP COc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c(Cl)c1 ZINC000415000233 386221132 /nfs/dbraw/zinc/22/11/32/386221132.db2.gz ALACULJVUTUCGO-RKDXNWHRSA-N 2 2 242.750 2.174 20 0 BEADLP CC(C)CO[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414706903 386223278 /nfs/dbraw/zinc/22/32/78/386223278.db2.gz LTHHFRAJEVAVGB-KBPBESRZSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414706903 386223281 /nfs/dbraw/zinc/22/32/81/386223281.db2.gz LTHHFRAJEVAVGB-KBPBESRZSA-N 2 2 242.407 2.107 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)[C@H](C)[NH3+] ZINC000415000851 386227324 /nfs/dbraw/zinc/22/73/24/386227324.db2.gz BQODXQBJKHUJPH-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000414712034 386227931 /nfs/dbraw/zinc/22/79/31/386227931.db2.gz SDQWZLXPQLWHCY-QWHCGFSZSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000414712034 386227936 /nfs/dbraw/zinc/22/79/36/386227936.db2.gz SDQWZLXPQLWHCY-QWHCGFSZSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000414712035 386228406 /nfs/dbraw/zinc/22/84/06/386228406.db2.gz SDQWZLXPQLWHCY-STQMWFEESA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000414712035 386228411 /nfs/dbraw/zinc/22/84/11/386228411.db2.gz SDQWZLXPQLWHCY-STQMWFEESA-N 2 2 235.375 2.448 20 0 BEADLP Cc1ccccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347104121 386253034 /nfs/dbraw/zinc/25/30/34/386253034.db2.gz LBODWWKHVCELHV-OAHLLOKOSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347104121 386253039 /nfs/dbraw/zinc/25/30/39/386253039.db2.gz LBODWWKHVCELHV-OAHLLOKOSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000289291648 386280410 /nfs/dbraw/zinc/28/04/10/386280410.db2.gz PSCAWDDMKIFRMO-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000289291648 386280415 /nfs/dbraw/zinc/28/04/15/386280415.db2.gz PSCAWDDMKIFRMO-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000133165269 386298041 /nfs/dbraw/zinc/29/80/41/386298041.db2.gz GJZDREXEYBGCDE-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000133165269 386298045 /nfs/dbraw/zinc/29/80/45/386298045.db2.gz GJZDREXEYBGCDE-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000289400756 386299448 /nfs/dbraw/zinc/29/94/48/386299448.db2.gz SAVWRPUUWBVJOF-UHFFFAOYSA-N 2 2 243.354 2.485 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000289400756 386299452 /nfs/dbraw/zinc/29/94/52/386299452.db2.gz SAVWRPUUWBVJOF-UHFFFAOYSA-N 2 2 243.354 2.485 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000336730915 386301537 /nfs/dbraw/zinc/30/15/37/386301537.db2.gz IOGFHMYQAPHWMA-XBFCOCLRSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000336730915 386301540 /nfs/dbraw/zinc/30/15/40/386301540.db2.gz IOGFHMYQAPHWMA-XBFCOCLRSA-N 2 2 224.392 2.493 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000647886765 386307035 /nfs/dbraw/zinc/30/70/35/386307035.db2.gz RJOQHXJAHMRSSL-NSHDSACASA-N 2 2 236.334 2.354 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000647886765 386307041 /nfs/dbraw/zinc/30/70/41/386307041.db2.gz RJOQHXJAHMRSSL-NSHDSACASA-N 2 2 236.334 2.354 20 0 BEADLP CCC1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000453277519 386312530 /nfs/dbraw/zinc/31/25/30/386312530.db2.gz DESBREKQRWDOJS-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP CCC1([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000453277519 386312535 /nfs/dbraw/zinc/31/25/35/386312535.db2.gz DESBREKQRWDOJS-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H](C[NH2+]CCc1cccc(Cl)c1)[NH+](C)C ZINC000297613850 386265735 /nfs/dbraw/zinc/26/57/35/386265735.db2.gz KTVJDXHKSXPZHX-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CO)CC1 ZINC000289185052 386268629 /nfs/dbraw/zinc/26/86/29/386268629.db2.gz TXHIOVRHVPWHNJ-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCOC1 ZINC000289172042 386269154 /nfs/dbraw/zinc/26/91/54/386269154.db2.gz FHUCQNSVWVVHMX-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)CCc1ccccc1 ZINC000297661073 386270084 /nfs/dbraw/zinc/27/00/84/386270084.db2.gz JODSUNSJOZBOGG-UHFFFAOYSA-N 2 2 243.354 2.137 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1ccccc1 ZINC000297661073 386270089 /nfs/dbraw/zinc/27/00/89/386270089.db2.gz JODSUNSJOZBOGG-UHFFFAOYSA-N 2 2 243.354 2.137 20 0 BEADLP CC[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@@H]1O ZINC000289240202 386274188 /nfs/dbraw/zinc/27/41/88/386274188.db2.gz LAQJKUMHRQVEDJ-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@@H]1O ZINC000289240202 386274190 /nfs/dbraw/zinc/27/41/90/386274190.db2.gz LAQJKUMHRQVEDJ-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000415006596 386341461 /nfs/dbraw/zinc/34/14/61/386341461.db2.gz KQNIYMBEELUDFN-BDAKNGLRSA-N 2 2 227.377 2.092 20 0 BEADLP CO[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289746653 386350138 /nfs/dbraw/zinc/35/01/38/386350138.db2.gz HWKGMLWPMIIICG-NEPJUHHUSA-N 2 2 247.342 2.156 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000289896637 386368934 /nfs/dbraw/zinc/36/89/34/386368934.db2.gz XGQVUCYTZKMQCW-CQSZACIVSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000289896637 386368936 /nfs/dbraw/zinc/36/89/36/386368936.db2.gz XGQVUCYTZKMQCW-CQSZACIVSA-N 2 2 248.370 2.025 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000414750004 386369691 /nfs/dbraw/zinc/36/96/91/386369691.db2.gz QITQABHGVZEYQB-CQSZACIVSA-N 2 2 248.370 2.124 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2ccc(O)cc2C1 ZINC000414750004 386369693 /nfs/dbraw/zinc/36/96/93/386369693.db2.gz QITQABHGVZEYQB-CQSZACIVSA-N 2 2 248.370 2.124 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000289973916 386379279 /nfs/dbraw/zinc/37/92/79/386379279.db2.gz BWYLXWLCGSNOOG-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP CO[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000290027125 386385187 /nfs/dbraw/zinc/38/51/87/386385187.db2.gz NCOWQDBBOAJAJT-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP CO[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000290027125 386385189 /nfs/dbraw/zinc/38/51/89/386385189.db2.gz NCOWQDBBOAJAJT-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP CC[NH+](CC)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265340702 386329902 /nfs/dbraw/zinc/32/99/02/386329902.db2.gz IOAHRCQNIHTHMP-UHFFFAOYSA-N 2 2 248.374 2.416 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)C[N@@H+]1C1CC1 ZINC000336777635 386437548 /nfs/dbraw/zinc/43/75/48/386437548.db2.gz JBABJNGXVNKNCV-RHYQMDGZSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](F)C2)C[N@H+]1C1CC1 ZINC000336777635 386437552 /nfs/dbraw/zinc/43/75/52/386437552.db2.gz JBABJNGXVNKNCV-RHYQMDGZSA-N 2 2 226.339 2.092 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000094078463 386444466 /nfs/dbraw/zinc/44/44/66/386444466.db2.gz RMPQGZKALXUFBW-KBPBESRZSA-N 2 2 236.334 2.474 20 0 BEADLP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000094088747 386444812 /nfs/dbraw/zinc/44/48/12/386444812.db2.gz DJFVLLLBWMTXIB-CQSZACIVSA-N 2 2 226.323 2.291 20 0 BEADLP CC(C)(C)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336703622 386390752 /nfs/dbraw/zinc/39/07/52/386390752.db2.gz JWCOTPBNFUVFRW-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)(C)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336703622 386390754 /nfs/dbraw/zinc/39/07/54/386390754.db2.gz JWCOTPBNFUVFRW-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H]2c2cccnc2)c[nH+]1 ZINC000336706412 386398198 /nfs/dbraw/zinc/39/81/98/386398198.db2.gz JVYIMNTYHYZZNN-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H]2c2cccnc2)c[nH+]1 ZINC000336706412 386398202 /nfs/dbraw/zinc/39/82/02/386398202.db2.gz JVYIMNTYHYZZNN-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP CC[C@H](COC)[NH2+]CCCc1c[nH+]ccc1C ZINC000290196685 386404874 /nfs/dbraw/zinc/40/48/74/386404874.db2.gz COKUVXAQSFAKDA-CQSZACIVSA-N 2 2 236.359 2.337 20 0 BEADLP C[NH+](C)[C@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000277218398 386418543 /nfs/dbraw/zinc/41/85/43/386418543.db2.gz RLWKNWKXNNKLIW-LBPRGKRZSA-N 2 2 219.332 2.002 20 0 BEADLP COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442663582 386420904 /nfs/dbraw/zinc/42/09/04/386420904.db2.gz HWBLQTPTTBEHCJ-BXUZGUMPSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442663582 386420909 /nfs/dbraw/zinc/42/09/09/386420909.db2.gz HWBLQTPTTBEHCJ-BXUZGUMPSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccc([C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000442663645 386421129 /nfs/dbraw/zinc/42/11/29/386421129.db2.gz HWBLQTPTTBEHCJ-SMDDNHRTSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccc([C@H]2CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000442663645 386421135 /nfs/dbraw/zinc/42/11/35/386421135.db2.gz HWBLQTPTTBEHCJ-SMDDNHRTSA-N 2 2 234.343 2.179 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414910169 386429395 /nfs/dbraw/zinc/42/93/95/386429395.db2.gz CGXNNTJYSKQQAX-IUODEOHRSA-N 2 2 232.371 2.337 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000391182048 386468163 /nfs/dbraw/zinc/46/81/63/386468163.db2.gz KPVGHJOBXZBYAF-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccn1 ZINC000391182048 386468168 /nfs/dbraw/zinc/46/81/68/386468168.db2.gz KPVGHJOBXZBYAF-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000266806147 386470413 /nfs/dbraw/zinc/47/04/13/386470413.db2.gz ZYVLEPKKFMRDMC-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCSCC1 ZINC000336742166 386475274 /nfs/dbraw/zinc/47/52/74/386475274.db2.gz WOPIUVZEZVCQSK-MNOVXSKESA-N 2 2 230.421 2.058 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000335426951 386480087 /nfs/dbraw/zinc/48/00/87/386480087.db2.gz ODOWCPSAHVEJAE-NEPJUHHUSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000335426951 386480093 /nfs/dbraw/zinc/48/00/93/386480093.db2.gz ODOWCPSAHVEJAE-NEPJUHHUSA-N 2 2 221.348 2.312 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000415010830 386480985 /nfs/dbraw/zinc/48/09/85/386480985.db2.gz HEMIMQOXKVJJQB-IUCAKERBSA-N 2 2 241.404 2.266 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000415010825 386481148 /nfs/dbraw/zinc/48/11/48/386481148.db2.gz HEMIMQOXKVJJQB-BDAKNGLRSA-N 2 2 241.404 2.266 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)CS1 ZINC000336756825 386493771 /nfs/dbraw/zinc/49/37/71/386493771.db2.gz JVBAYIHLBNQRIS-WOPDTQHZSA-N 2 2 230.421 2.056 20 0 BEADLP Cc1nc(C[NH2+]CCc2cc[nH+]cc2C)[nH]c1C ZINC000519618783 386508840 /nfs/dbraw/zinc/50/88/40/386508840.db2.gz RUVBDMSZVOSMNV-UHFFFAOYSA-N 2 2 244.342 2.062 20 0 BEADLP Cc1ccncc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000135499501 386511399 /nfs/dbraw/zinc/51/13/99/386511399.db2.gz YORHCCDGKYTCGV-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000135499501 386511404 /nfs/dbraw/zinc/51/14/04/386511404.db2.gz YORHCCDGKYTCGV-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c[nH+]1 ZINC000415027597 386517250 /nfs/dbraw/zinc/51/72/50/386517250.db2.gz BFYNOOJUHXUYPE-CABCVRRESA-N 3 2 247.386 2.040 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000414784889 386517902 /nfs/dbraw/zinc/51/79/02/386517902.db2.gz IDSXDVGHRJMCCU-CWRNSKLLSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000414784889 386517906 /nfs/dbraw/zinc/51/79/06/386517906.db2.gz IDSXDVGHRJMCCU-CWRNSKLLSA-N 2 2 244.382 2.474 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1F ZINC000415031724 386519551 /nfs/dbraw/zinc/51/95/51/386519551.db2.gz FDXCFMVXRUFMJS-CYBMUJFWSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)[C@@H]1C ZINC000336755462 386530443 /nfs/dbraw/zinc/53/04/43/386530443.db2.gz IWRCIFQTIIKHQK-LBELIVKGSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)[C@@H]1C ZINC000336755462 386530449 /nfs/dbraw/zinc/53/04/49/386530449.db2.gz IWRCIFQTIIKHQK-LBELIVKGSA-N 2 2 210.365 2.103 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000415037422 386524980 /nfs/dbraw/zinc/52/49/80/386524980.db2.gz LCKDBJLNOYHWOS-AWEZNQCLSA-N 2 2 232.371 2.479 20 0 BEADLP CC[C@@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347581896 386460790 /nfs/dbraw/zinc/46/07/90/386460790.db2.gz IBJVWAXHJHEVAJ-SNVBAGLBSA-N 2 2 241.404 2.435 20 0 BEADLP CC[C@@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347581896 386460795 /nfs/dbraw/zinc/46/07/95/386460795.db2.gz IBJVWAXHJHEVAJ-SNVBAGLBSA-N 2 2 241.404 2.435 20 0 BEADLP CC[C@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347581894 386460842 /nfs/dbraw/zinc/46/08/42/386460842.db2.gz IBJVWAXHJHEVAJ-JTQLQIEISA-N 2 2 241.404 2.435 20 0 BEADLP CC[C@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347581894 386460849 /nfs/dbraw/zinc/46/08/49/386460849.db2.gz IBJVWAXHJHEVAJ-JTQLQIEISA-N 2 2 241.404 2.435 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1C ZINC000519694620 386528362 /nfs/dbraw/zinc/52/83/62/386528362.db2.gz UDAUURSWKOPQQQ-NQBHXWOUSA-N 2 2 233.359 2.354 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1F ZINC000414798620 386575607 /nfs/dbraw/zinc/57/56/07/386575607.db2.gz FHQHRZLLQSETIO-UHFFFAOYSA-N 2 2 224.323 2.433 20 0 BEADLP Cc1cccc(OC[C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000415076843 386576738 /nfs/dbraw/zinc/57/67/38/386576738.db2.gz GSWXSDPEMAOXNM-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)[NH+](C)C ZINC000278753063 386579068 /nfs/dbraw/zinc/57/90/68/386579068.db2.gz NYZOMKINEMOUNM-SWLSCSKDSA-N 2 2 247.386 2.473 20 0 BEADLP CCOC[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797598 386581661 /nfs/dbraw/zinc/58/16/61/386581661.db2.gz BHULVTYYNBQRNC-CYBMUJFWSA-N 2 2 242.407 2.313 20 0 BEADLP C[NH+](C)CCNc1cc(C(C)(C)C)cc[nH+]1 ZINC000204266076 386584733 /nfs/dbraw/zinc/58/47/33/386584733.db2.gz UHZHADGXEBCYDP-UHFFFAOYSA-N 2 2 221.348 2.353 20 0 BEADLP Cc1ccc(NC[C@@H]([NH3+])CC(C)C)c[nH+]1 ZINC000415079533 386589503 /nfs/dbraw/zinc/58/95/03/386589503.db2.gz IDSUNHGGCZSSCV-NSHDSACASA-N 2 2 207.321 2.175 20 0 BEADLP Cc1ccc(NC[C@H]([NH3+])CC(C)C)c[nH+]1 ZINC000415079532 386589735 /nfs/dbraw/zinc/58/97/35/386589735.db2.gz IDSUNHGGCZSSCV-LLVKDONJSA-N 2 2 207.321 2.175 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000278484048 386532397 /nfs/dbraw/zinc/53/23/97/386532397.db2.gz AUZUFHYSKJVVEC-HUUCEWRRSA-N 2 2 248.370 2.216 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1sccc1Cl ZINC000414788759 386533035 /nfs/dbraw/zinc/53/30/35/386533035.db2.gz DVUKYLZKCMRQKR-SECBINFHSA-N 2 2 232.780 2.474 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000188442876 386533400 /nfs/dbraw/zinc/53/34/00/386533400.db2.gz MJFUEVZGVXRVGQ-NWDGAFQWSA-N 2 2 208.349 2.167 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000188442876 386533408 /nfs/dbraw/zinc/53/34/08/386533408.db2.gz MJFUEVZGVXRVGQ-NWDGAFQWSA-N 2 2 208.349 2.167 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000414802609 386596971 /nfs/dbraw/zinc/59/69/71/386596971.db2.gz ILDASROHLDZGHR-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415064202 386545201 /nfs/dbraw/zinc/54/52/01/386545201.db2.gz BZFTWUQSJKPQSD-RZIFZGNASA-N 2 2 230.355 2.432 20 0 BEADLP Cc1nc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cs1 ZINC000415063675 386545404 /nfs/dbraw/zinc/54/54/04/386545404.db2.gz IQYHPGGCKYOZCP-LBPRGKRZSA-N 2 2 239.388 2.059 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417360179 386547378 /nfs/dbraw/zinc/54/73/78/386547378.db2.gz XEIZJIFXYQPUIE-SECBINFHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000063191826 386553737 /nfs/dbraw/zinc/55/37/37/386553737.db2.gz LKXQZYCEWUPFSB-BXUZGUMPSA-N 2 2 234.343 2.094 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000063191826 386553741 /nfs/dbraw/zinc/55/37/41/386553741.db2.gz LKXQZYCEWUPFSB-BXUZGUMPSA-N 2 2 234.343 2.094 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415071341 386557249 /nfs/dbraw/zinc/55/72/49/386557249.db2.gz SORRKIDBLSBSNK-OAHLLOKOSA-N 2 2 248.370 2.065 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983926 386558867 /nfs/dbraw/zinc/55/88/67/386558867.db2.gz VINYCDSJUHTFAI-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061983926 386558872 /nfs/dbraw/zinc/55/88/72/386558872.db2.gz VINYCDSJUHTFAI-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000417361403 386567251 /nfs/dbraw/zinc/56/72/51/386567251.db2.gz YXVUHNCJHXXZNH-QWHCGFSZSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000417361402 386568870 /nfs/dbraw/zinc/56/88/70/386568870.db2.gz YXVUHNCJHXXZNH-OLZOCXBDSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000415111562 386620993 /nfs/dbraw/zinc/62/09/93/386620993.db2.gz REMCWAMOHQZSNV-MWLCHTKSSA-N 2 2 240.297 2.020 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccsc1 ZINC000414809809 386621534 /nfs/dbraw/zinc/62/15/34/386621534.db2.gz HALLULAQAISEDT-NSHDSACASA-N 2 2 212.362 2.355 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc(-c2ccccn2)c1 ZINC000415104980 386622915 /nfs/dbraw/zinc/62/29/15/386622915.db2.gz HJUDDTMWYDVMGF-UHFFFAOYSA-N 2 2 241.338 2.139 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc(-c2ccccn2)c1 ZINC000415104980 386622919 /nfs/dbraw/zinc/62/29/19/386622919.db2.gz HJUDDTMWYDVMGF-UHFFFAOYSA-N 2 2 241.338 2.139 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000335497998 386623496 /nfs/dbraw/zinc/62/34/96/386623496.db2.gz CMBORTYHDOZRRF-UWVGGRQHSA-N 2 2 210.346 2.069 20 0 BEADLP CCCc1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000415115199 386627577 /nfs/dbraw/zinc/62/75/77/386627577.db2.gz WTFYXDNNCXUJRH-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CCCc1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000415115199 386627581 /nfs/dbraw/zinc/62/75/81/386627581.db2.gz WTFYXDNNCXUJRH-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1nc(C)cs1 ZINC000414814162 386640556 /nfs/dbraw/zinc/64/05/56/386640556.db2.gz NINOKWPOIOWPRX-JTQLQIEISA-N 2 2 227.377 2.059 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335423684 386599309 /nfs/dbraw/zinc/59/93/09/386599309.db2.gz CGCNHBLQOCJKGQ-ZFWWWQNUSA-N 2 2 241.338 2.204 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1C ZINC000414923086 386601416 /nfs/dbraw/zinc/60/14/16/386601416.db2.gz GXPRZANPFIPEGD-FZMZJTMJSA-N 2 2 248.370 2.091 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1C ZINC000414923090 386601818 /nfs/dbraw/zinc/60/18/18/386601818.db2.gz GXPRZANPFIPEGD-SMDDNHRTSA-N 2 2 248.370 2.091 20 0 BEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000187812159 386602710 /nfs/dbraw/zinc/60/27/10/386602710.db2.gz CSQHDUWIOGCOHH-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000187812159 386602719 /nfs/dbraw/zinc/60/27/19/386602719.db2.gz CSQHDUWIOGCOHH-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414923559 386609088 /nfs/dbraw/zinc/60/90/88/386609088.db2.gz HPZYTXXGSMWVFV-SMDDNHRTSA-N 2 2 236.334 2.222 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1c(F)cccc1Cl ZINC000414806876 386616176 /nfs/dbraw/zinc/61/61/76/386616176.db2.gz QOJJYYINWCCYJB-UHFFFAOYSA-N 2 2 230.714 2.306 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC12CCC2 ZINC000335521781 386661993 /nfs/dbraw/zinc/66/19/93/386661993.db2.gz DKUZPCOOYUWCTJ-UHFFFAOYSA-N 2 2 219.332 2.210 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC12CCC2 ZINC000335521781 386661998 /nfs/dbraw/zinc/66/19/98/386661998.db2.gz DKUZPCOOYUWCTJ-UHFFFAOYSA-N 2 2 219.332 2.210 20 0 BEADLP COCC[C@@H](C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000414477216 386664941 /nfs/dbraw/zinc/66/49/41/386664941.db2.gz CANKAHWVXXBPDX-GFCCVEGCSA-N 2 2 247.342 2.097 20 0 BEADLP CCCc1cccc(C[NH2+]CC[NH2+]CC)c1 ZINC000414820046 386666096 /nfs/dbraw/zinc/66/60/96/386666096.db2.gz AAPMFARAXRFLGY-UHFFFAOYSA-N 2 2 220.360 2.338 20 0 BEADLP CC[C@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000337210160 386668983 /nfs/dbraw/zinc/66/89/83/386668983.db2.gz CBHROMFWHITLKR-ZDUSSCGKSA-N 2 2 233.359 2.311 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)COC(C)C ZINC000337211722 386669050 /nfs/dbraw/zinc/66/90/50/386669050.db2.gz AQDPYUKJDPAMTN-ZDUSSCGKSA-N 2 2 236.359 2.336 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414822680 386673859 /nfs/dbraw/zinc/67/38/59/386673859.db2.gz FEYGTQXOWFZJDG-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000292691864 386709584 /nfs/dbraw/zinc/70/95/84/386709584.db2.gz BMVUYVOCJORSFN-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000292691864 386709592 /nfs/dbraw/zinc/70/95/92/386709592.db2.gz BMVUYVOCJORSFN-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000292691864 386709598 /nfs/dbraw/zinc/70/95/98/386709598.db2.gz BMVUYVOCJORSFN-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000292691864 386709603 /nfs/dbraw/zinc/70/96/03/386709603.db2.gz BMVUYVOCJORSFN-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]C1CCCC1 ZINC000043596137 386710999 /nfs/dbraw/zinc/71/09/99/386710999.db2.gz ZFQHWNCCNKIHPC-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1cccnc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830822 386711477 /nfs/dbraw/zinc/71/14/77/386711477.db2.gz BPBSHKRVLXPCHA-CQSZACIVSA-N 2 2 247.386 2.387 20 0 BEADLP Cc1ccc(CCCN2C[C@H](C)[NH2+]C[C@H]2C)c[nH+]1 ZINC000340687593 386696709 /nfs/dbraw/zinc/69/67/09/386696709.db2.gz BWMCGEQSOMIVLR-UONOGXRCSA-N 2 2 247.386 2.005 20 0 BEADLP c1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000043326573 386703246 /nfs/dbraw/zinc/70/32/46/386703246.db2.gz BRRBWMHXGDTDKQ-CABCVRRESA-N 2 2 230.355 2.479 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324719 386704898 /nfs/dbraw/zinc/70/48/98/386704898.db2.gz LHCDDWXDTFCOKJ-OCCSQVGLSA-N 2 2 216.328 2.016 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000292808486 386730332 /nfs/dbraw/zinc/73/03/32/386730332.db2.gz OKMLKOPBQMVKSF-OAHLLOKOSA-N 2 2 248.370 2.370 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000335486011 386717658 /nfs/dbraw/zinc/71/76/58/386717658.db2.gz DURWWXDUNNRFBY-NHYWBVRUSA-N 2 2 246.354 2.119 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000050559347 386727986 /nfs/dbraw/zinc/72/79/86/386727986.db2.gz XAMGZJGGGRELMU-CYBMUJFWSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1F ZINC000050559347 386727992 /nfs/dbraw/zinc/72/79/92/386727992.db2.gz XAMGZJGGGRELMU-CYBMUJFWSA-N 2 2 236.334 2.447 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000292808486 386730314 /nfs/dbraw/zinc/73/03/14/386730314.db2.gz OKMLKOPBQMVKSF-OAHLLOKOSA-N 2 2 248.370 2.370 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000292808486 386730321 /nfs/dbraw/zinc/73/03/21/386730321.db2.gz OKMLKOPBQMVKSF-OAHLLOKOSA-N 2 2 248.370 2.370 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000292808486 386730326 /nfs/dbraw/zinc/73/03/26/386730326.db2.gz OKMLKOPBQMVKSF-OAHLLOKOSA-N 2 2 248.370 2.370 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000414841373 386754991 /nfs/dbraw/zinc/75/49/91/386754991.db2.gz NTRKVHXFMABLHF-SECBINFHSA-N 2 2 244.741 2.424 20 0 BEADLP Cc1[nH+]cn(Cc2c[nH+]ccc2C)c1C ZINC000334155492 386755372 /nfs/dbraw/zinc/75/53/72/386755372.db2.gz VMBRSPRXHSTSRJ-UHFFFAOYSA-N 2 2 201.273 2.252 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCC[C@H]3CCO3)C2)[nH]1 ZINC000637953459 386760676 /nfs/dbraw/zinc/76/06/76/386760676.db2.gz QJZMFQLYFKRAHV-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCC[C@H]3CCO3)C2)[nH]1 ZINC000637953459 386760681 /nfs/dbraw/zinc/76/06/81/386760681.db2.gz QJZMFQLYFKRAHV-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839414 386741009 /nfs/dbraw/zinc/74/10/09/386741009.db2.gz WHRSOGJNSBDANW-OAHLLOKOSA-N 2 2 241.338 2.180 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839304 386741828 /nfs/dbraw/zinc/74/18/28/386741828.db2.gz VYQOOWUMTRCRPP-BNOWGMLFSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839308 386742254 /nfs/dbraw/zinc/74/22/54/386742254.db2.gz VYQOOWUMTRCRPP-KWCYVHTRSA-N 2 2 218.344 2.465 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C[NH3+])CC(C)C)c[nH+]1 ZINC000414838988 386743563 /nfs/dbraw/zinc/74/35/63/386743563.db2.gz LFVFOMJKGSABRX-HNNXBMFYSA-N 3 2 249.402 2.286 20 0 BEADLP C[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000269356984 386783251 /nfs/dbraw/zinc/78/32/51/386783251.db2.gz LPXBPKUEIFNZIV-UHFFFAOYSA-N 2 2 242.326 2.136 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@@H]1C ZINC000321112599 386821965 /nfs/dbraw/zinc/82/19/65/386821965.db2.gz QTSSHBYRWNLZKJ-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000414845496 386800653 /nfs/dbraw/zinc/80/06/53/386800653.db2.gz MBEBZORJXQKTOJ-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP CCC1CC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000336744199 386804350 /nfs/dbraw/zinc/80/43/50/386804350.db2.gz ZBGYQDTWYAUQMV-XVSSEFHLSA-N 2 2 210.365 2.247 20 0 BEADLP CCC1CC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000336744199 386804355 /nfs/dbraw/zinc/80/43/55/386804355.db2.gz ZBGYQDTWYAUQMV-XVSSEFHLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414936465 386831491 /nfs/dbraw/zinc/83/14/91/386831491.db2.gz WPFWAYWWOARMRT-ZCFIWIBFSA-N 2 2 238.278 2.204 20 0 BEADLP CC(C)c1nc(NC[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000301286596 386831459 /nfs/dbraw/zinc/83/14/59/386831459.db2.gz VKLGEBZTTQPWOW-LBPRGKRZSA-N 2 2 248.374 2.354 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1Cl ZINC000414847179 386831865 /nfs/dbraw/zinc/83/18/65/386831865.db2.gz OLLVERTYBPXRAJ-GFCCVEGCSA-N 2 2 238.762 2.490 20 0 BEADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000414936612 386835889 /nfs/dbraw/zinc/83/58/89/386835889.db2.gz WTHXAHPOXLTLRM-AWEZNQCLSA-N 2 2 248.370 2.260 20 0 BEADLP C[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000334782807 386839185 /nfs/dbraw/zinc/83/91/85/386839185.db2.gz BWCAEFQXEKALOA-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP C[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1 ZINC000334782807 386839190 /nfs/dbraw/zinc/83/91/90/386839190.db2.gz BWCAEFQXEKALOA-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP [NH3+][C@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334783774 386842318 /nfs/dbraw/zinc/84/23/18/386842318.db2.gz BTNOPDFOIVJMJX-JSGCOSHPSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334783774 386842322 /nfs/dbraw/zinc/84/23/22/386842322.db2.gz BTNOPDFOIVJMJX-JSGCOSHPSA-N 2 2 234.318 2.236 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835407 386876532 /nfs/dbraw/zinc/87/65/32/386876532.db2.gz HXLLJLDLYVMNDL-YPMHNXCESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835407 386876537 /nfs/dbraw/zinc/87/65/37/386876537.db2.gz HXLLJLDLYVMNDL-YPMHNXCESA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414941033 386888629 /nfs/dbraw/zinc/88/86/29/386888629.db2.gz YDRVSALSVJGJEW-SMDDNHRTSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000334842729 386889306 /nfs/dbraw/zinc/88/93/06/386889306.db2.gz NMLYQFJNOKIJBR-ZANVPECISA-N 2 2 248.301 2.493 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000334842729 386889309 /nfs/dbraw/zinc/88/93/09/386889309.db2.gz NMLYQFJNOKIJBR-ZANVPECISA-N 2 2 248.301 2.493 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CC[NH2+]1 ZINC000334867040 386924130 /nfs/dbraw/zinc/92/41/30/386924130.db2.gz ZFSXFBGBKKRUJQ-UWVGGRQHSA-N 2 2 240.297 2.195 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334867726 386925424 /nfs/dbraw/zinc/92/54/24/386925424.db2.gz HXPSOVXGODIILK-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334867726 386925428 /nfs/dbraw/zinc/92/54/28/386925428.db2.gz HXPSOVXGODIILK-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(Cl)s2)CC[NH2+]1 ZINC000334867375 386926776 /nfs/dbraw/zinc/92/67/76/386926776.db2.gz DAAAQRQJDUWLOX-HTQZYQBOSA-N 2 2 245.779 2.027 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104037 386941871 /nfs/dbraw/zinc/94/18/71/386941871.db2.gz ZZWWNWKBWWRWOA-PWSUYJOCSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104037 386941875 /nfs/dbraw/zinc/94/18/75/386941875.db2.gz ZZWWNWKBWWRWOA-PWSUYJOCSA-N 2 2 233.359 2.435 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)nc1C ZINC000314760255 386997900 /nfs/dbraw/zinc/99/79/00/386997900.db2.gz KASJLUQPKGJINY-IUODEOHRSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)nc1C ZINC000314760255 386997905 /nfs/dbraw/zinc/99/79/05/386997905.db2.gz KASJLUQPKGJINY-IUODEOHRSA-N 2 2 247.386 2.128 20 0 BEADLP C[N@H+](CC[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000334970714 387054076 /nfs/dbraw/zinc/05/40/76/387054076.db2.gz DQLMTDOOULXIGO-GFCCVEGCSA-N 2 2 224.735 2.218 20 0 BEADLP C[N@@H+](CC[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000334970714 387054080 /nfs/dbraw/zinc/05/40/80/387054080.db2.gz DQLMTDOOULXIGO-GFCCVEGCSA-N 2 2 224.735 2.218 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000053201466 387019990 /nfs/dbraw/zinc/01/99/90/387019990.db2.gz WKSUEWWGIUZVFL-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000053201466 387019993 /nfs/dbraw/zinc/01/99/93/387019993.db2.gz WKSUEWWGIUZVFL-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CC1([NH3+])CC[NH+](CC=C(Cl)Cl)CC1 ZINC000575458052 387022225 /nfs/dbraw/zinc/02/22/25/387022225.db2.gz XAHSVSUJJXIWSX-UHFFFAOYSA-N 2 2 223.147 2.119 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418058302 387078390 /nfs/dbraw/zinc/07/83/90/387078390.db2.gz PEYXXZNCRIEZQI-QEJZJMRPSA-N 2 2 232.371 2.330 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(C)n1 ZINC000334997195 387087838 /nfs/dbraw/zinc/08/78/38/387087838.db2.gz AXWVLTJPNLTPPX-WFASDCNBSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c(C)n1 ZINC000334997195 387087840 /nfs/dbraw/zinc/08/78/40/387087840.db2.gz AXWVLTJPNLTPPX-WFASDCNBSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000334997239 387088766 /nfs/dbraw/zinc/08/87/66/387088766.db2.gz CALHTEXLSVUHGD-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000334997239 387088769 /nfs/dbraw/zinc/08/87/69/387088769.db2.gz CALHTEXLSVUHGD-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000370114724 387088893 /nfs/dbraw/zinc/08/88/93/387088893.db2.gz VIRZKMONEYEXMM-NSHDSACASA-N 2 2 233.359 2.150 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CCCC2)C[N@@H+]1C1CC1 ZINC000129877051 387101083 /nfs/dbraw/zinc/10/10/83/387101083.db2.gz XIHCUNFTCYWUIB-PWSUYJOCSA-N 2 2 208.349 2.144 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CCCC2)C[N@H+]1C1CC1 ZINC000129877051 387101085 /nfs/dbraw/zinc/10/10/85/387101085.db2.gz XIHCUNFTCYWUIB-PWSUYJOCSA-N 2 2 208.349 2.144 20 0 BEADLP C[N@H+](Cc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000071311516 387101735 /nfs/dbraw/zinc/10/17/35/387101735.db2.gz SVCJXSOAYHITRE-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000071311516 387101737 /nfs/dbraw/zinc/10/17/37/387101737.db2.gz SVCJXSOAYHITRE-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CCCC2)C[N@@H+]1C1CC1 ZINC000129877723 387102643 /nfs/dbraw/zinc/10/26/43/387102643.db2.gz XIHCUNFTCYWUIB-CMPLNLGQSA-N 2 2 208.349 2.144 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CCCC2)C[N@H+]1C1CC1 ZINC000129877723 387102649 /nfs/dbraw/zinc/10/26/49/387102649.db2.gz XIHCUNFTCYWUIB-CMPLNLGQSA-N 2 2 208.349 2.144 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCOCC1 ZINC000062767648 387115236 /nfs/dbraw/zinc/11/52/36/387115236.db2.gz PBPPVYZAHWEPQZ-CQSZACIVSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCOCC1 ZINC000062767648 387115240 /nfs/dbraw/zinc/11/52/40/387115240.db2.gz PBPPVYZAHWEPQZ-CQSZACIVSA-N 2 2 240.391 2.020 20 0 BEADLP [NH3+]C1(C[NH2+][C@@H]2CCCc3occc32)CCC1 ZINC000335024506 387116653 /nfs/dbraw/zinc/11/66/53/387116653.db2.gz PIROUWGKGCXQDS-LLVKDONJSA-N 2 2 220.316 2.128 20 0 BEADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccco1 ZINC000335026391 387118770 /nfs/dbraw/zinc/11/87/70/387118770.db2.gz ZVPXVOOSACPFSF-NWDGAFQWSA-N 2 2 208.305 2.029 20 0 BEADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000335026392 387118831 /nfs/dbraw/zinc/11/88/31/387118831.db2.gz ZVPXVOOSACPFSF-RYUDHWBXSA-N 2 2 208.305 2.029 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250695108 387120278 /nfs/dbraw/zinc/12/02/78/387120278.db2.gz BCDMVGZNVYTDHT-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250695108 387120281 /nfs/dbraw/zinc/12/02/81/387120281.db2.gz BCDMVGZNVYTDHT-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000335028036 387120580 /nfs/dbraw/zinc/12/05/80/387120580.db2.gz RUUCECJVBGJKRS-PSASIEDQSA-N 2 2 242.725 2.492 20 0 BEADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335031242 387127694 /nfs/dbraw/zinc/12/76/94/387127694.db2.gz GOVBRPBAFIIPIW-WFASDCNBSA-N 2 2 245.370 2.275 20 0 BEADLP CC[C@@H](C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353133971 387142175 /nfs/dbraw/zinc/14/21/75/387142175.db2.gz GTOAILADGAUWTN-GFCCVEGCSA-N 2 2 244.342 2.206 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423309889 387146872 /nfs/dbraw/zinc/14/68/72/387146872.db2.gz MKSYGYAUYDRGLB-HNNXBMFYSA-N 2 2 248.370 2.272 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccc1F ZINC000423318756 387159049 /nfs/dbraw/zinc/15/90/49/387159049.db2.gz DPVSBZSUEQFOAB-BXKDBHETSA-N 2 2 210.296 2.214 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccncc1 ZINC000423319482 387162567 /nfs/dbraw/zinc/16/25/67/387162567.db2.gz ZYWPBNACUOUATQ-CYBMUJFWSA-N 2 2 221.348 2.122 20 0 BEADLP COCCCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000418140600 387164513 /nfs/dbraw/zinc/16/45/13/387164513.db2.gz VWNBVWWZHNRQPW-UHFFFAOYSA-N 2 2 247.342 2.193 20 0 BEADLP COCCCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000418140600 387164519 /nfs/dbraw/zinc/16/45/19/387164519.db2.gz VWNBVWWZHNRQPW-UHFFFAOYSA-N 2 2 247.342 2.193 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423323260 387168854 /nfs/dbraw/zinc/16/88/54/387168854.db2.gz OTHPXDJWBSKPOU-MFKMUULPSA-N 2 2 234.343 2.083 20 0 BEADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]cc1Cl ZINC000336342139 387172816 /nfs/dbraw/zinc/17/28/16/387172816.db2.gz DDSOBNOBIJMARX-UHFFFAOYSA-N 2 2 222.679 2.095 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423334570 387182053 /nfs/dbraw/zinc/18/20/53/387182053.db2.gz WSBSDZZNBHXTAP-ZWNOBZJWSA-N 2 2 233.359 2.032 20 0 BEADLP Cc1ccc(CCC[NH+]2CCSCC2)c[nH+]1 ZINC000353388198 387191571 /nfs/dbraw/zinc/19/15/71/387191571.db2.gz YFPHBZUTCVDFLB-UHFFFAOYSA-N 2 2 236.384 2.371 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400576313 387133322 /nfs/dbraw/zinc/13/33/22/387133322.db2.gz OZDLEKZUIDHWCI-HLTSFMKQSA-N 2 2 224.270 2.057 20 0 BEADLP CCCC[C@H](C[NH3+])N[C@H](C)c1[nH+]ccn1CC ZINC000423303745 387137170 /nfs/dbraw/zinc/13/71/70/387137170.db2.gz XIRSIUFCMOXENE-VXGBXAGGSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1nccn1CC ZINC000423303745 387137174 /nfs/dbraw/zinc/13/71/74/387137174.db2.gz XIRSIUFCMOXENE-VXGBXAGGSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccn1 ZINC000423304274 387138201 /nfs/dbraw/zinc/13/82/01/387138201.db2.gz YHBOFIUVZWUCEK-NEPJUHHUSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000162015928 387138736 /nfs/dbraw/zinc/13/87/36/387138736.db2.gz CIMYDMQHWKKQRW-MRVPVSSYSA-N 2 2 232.249 2.142 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccncc1F ZINC000423304327 387139499 /nfs/dbraw/zinc/13/94/99/387139499.db2.gz YJLCKZVDLRTAKR-GHMZBOCLSA-N 2 2 239.338 2.389 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423354957 387205499 /nfs/dbraw/zinc/20/54/99/387205499.db2.gz DIPIKEGEBZQSHC-SLEUVZQESA-N 2 2 248.370 2.344 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)cc1 ZINC000423359113 387209615 /nfs/dbraw/zinc/20/96/15/387209615.db2.gz KGGOJPOTHMXNOV-MJVIPROJSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cnc2ccsc2c1 ZINC000423359939 387209703 /nfs/dbraw/zinc/20/97/03/387209703.db2.gz DQTUIHYBNDOHPY-DTWKUNHWSA-N 2 2 235.356 2.294 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1F ZINC000423359563 387210665 /nfs/dbraw/zinc/21/06/65/387210665.db2.gz DEFZMNZIVKDSFZ-UFBFGSQYSA-N 2 2 228.286 2.353 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000423363249 387216159 /nfs/dbraw/zinc/21/61/59/387216159.db2.gz NUBVYRQTAKOICP-MDZLAQPJSA-N 2 2 236.359 2.491 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572012410 387220718 /nfs/dbraw/zinc/22/07/18/387220718.db2.gz ZKRQKZOHQYAYPG-TZMCWYRMSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572012410 387220723 /nfs/dbraw/zinc/22/07/23/387220723.db2.gz ZKRQKZOHQYAYPG-TZMCWYRMSA-N 2 2 235.375 2.473 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1F ZINC000423372971 387225720 /nfs/dbraw/zinc/22/57/20/387225720.db2.gz GLUWRVRAERXURS-MNOVXSKESA-N 2 2 224.323 2.474 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H](C)C[NH3+] ZINC000423373785 387230579 /nfs/dbraw/zinc/23/05/79/387230579.db2.gz SFSRXFOWISNZII-WCQYABFASA-N 2 2 234.343 2.146 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423326817 387231262 /nfs/dbraw/zinc/23/12/62/387231262.db2.gz REEUPACXSJLFIA-BXUZGUMPSA-N 2 2 248.370 2.473 20 0 BEADLP CCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120410800 387244383 /nfs/dbraw/zinc/24/43/83/387244383.db2.gz AAFKHHWQKNURSX-RYUDHWBXSA-N 2 2 222.376 2.391 20 0 BEADLP CCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120410800 387244388 /nfs/dbraw/zinc/24/43/88/387244388.db2.gz AAFKHHWQKNURSX-RYUDHWBXSA-N 2 2 222.376 2.391 20 0 BEADLP COC[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353656100 387250401 /nfs/dbraw/zinc/25/04/01/387250401.db2.gz KBDURXFAWXBQPU-HNNXBMFYSA-N 2 2 248.370 2.291 20 0 BEADLP COC[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353656100 387250403 /nfs/dbraw/zinc/25/04/03/387250403.db2.gz KBDURXFAWXBQPU-HNNXBMFYSA-N 2 2 248.370 2.291 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000300939227 387251606 /nfs/dbraw/zinc/25/16/06/387251606.db2.gz OPDIAQVGPGHTPY-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000300939227 387251613 /nfs/dbraw/zinc/25/16/13/387251613.db2.gz OPDIAQVGPGHTPY-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000300939230 387251975 /nfs/dbraw/zinc/25/19/75/387251975.db2.gz OPDIAQVGPGHTPY-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000300939230 387251976 /nfs/dbraw/zinc/25/19/76/387251976.db2.gz OPDIAQVGPGHTPY-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C2CC[NH2+]CC2)c(C)s1 ZINC000643496187 387196927 /nfs/dbraw/zinc/19/69/27/387196927.db2.gz NRHRVTINIADKCI-QMMMGPOBSA-N 2 2 239.388 2.163 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423463081 387310546 /nfs/dbraw/zinc/31/05/46/387310546.db2.gz LBYHBQIDRGIBEB-AAEUAGOBSA-N 2 2 234.343 2.227 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423464022 387313243 /nfs/dbraw/zinc/31/32/43/387313243.db2.gz LTWMVKDWOJBIAZ-PSASIEDQSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423467086 387315001 /nfs/dbraw/zinc/31/50/01/387315001.db2.gz NXRMQMHDWRYEPX-DGCLKSJQSA-N 2 2 239.338 2.245 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423467032 387315522 /nfs/dbraw/zinc/31/55/22/387315522.db2.gz NWGJREJJOMWYDV-VXGBXAGGSA-N 2 2 236.359 2.473 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423375264 387258178 /nfs/dbraw/zinc/25/81/78/387258178.db2.gz XTTORSWNKQVHNY-DYEKYZERSA-N 2 2 233.359 2.039 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423378792 387259036 /nfs/dbraw/zinc/25/90/36/387259036.db2.gz ZXLNMEQNBHEEKL-MBNYWOFBSA-N 2 2 233.359 2.039 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423386505 387271597 /nfs/dbraw/zinc/27/15/97/387271597.db2.gz SAMABHDJRMHLOW-BXUZGUMPSA-N 2 2 248.370 2.270 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cn1 ZINC000423387305 387271967 /nfs/dbraw/zinc/27/19/67/387271967.db2.gz RXWAGRWTMCZMPV-SCVCMEIPSA-N 2 2 237.322 2.012 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000423393050 387278920 /nfs/dbraw/zinc/27/89/20/387278920.db2.gz YCYKQUJHRGSCSG-BXUZGUMPSA-N 2 2 218.344 2.262 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H]2C)n1C ZINC000514734381 387282480 /nfs/dbraw/zinc/28/24/80/387282480.db2.gz DDTBSHMXYBFYAL-CMPLNLGQSA-N 2 2 221.348 2.254 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423438187 387288545 /nfs/dbraw/zinc/28/85/45/387288545.db2.gz GYCGKSXRKADEEQ-CIUDSAMLSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)[C@H](C)[NH3+] ZINC000423439212 387288742 /nfs/dbraw/zinc/28/87/42/387288742.db2.gz HRQRRMPOWXBEPT-SXMVTHIZSA-N 2 2 240.297 2.277 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])CC)s1 ZINC000423441826 387293239 /nfs/dbraw/zinc/29/32/39/387293239.db2.gz BFMBVCJZJSLSOU-WCBMZHEXSA-N 2 2 241.404 2.402 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(F)c1 ZINC000423442890 387293723 /nfs/dbraw/zinc/29/37/23/387293723.db2.gz KGEWRKKLUQPVRY-BBBLOLIVSA-N 2 2 240.322 2.221 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCO2)c[nH+]1 ZINC000353915028 387296627 /nfs/dbraw/zinc/29/66/27/387296627.db2.gz MAOHZOQHIRUPCT-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423523841 387356893 /nfs/dbraw/zinc/35/68/93/387356893.db2.gz NTKULHLYFHIGJQ-HUUCEWRRSA-N 2 2 248.370 2.106 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000515308747 387362836 /nfs/dbraw/zinc/36/28/36/387362836.db2.gz YQSXEMVKGBSRDU-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000515308747 387362841 /nfs/dbraw/zinc/36/28/41/387362841.db2.gz YQSXEMVKGBSRDU-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C)c1 ZINC000423547540 387371418 /nfs/dbraw/zinc/37/14/18/387371418.db2.gz DLPIMSIHCQOLRP-CABCVRRESA-N 2 2 248.370 2.024 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@H]1C ZINC000321925017 387321978 /nfs/dbraw/zinc/32/19/78/387321978.db2.gz RQQLEEZFOFMVSY-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423476851 387324685 /nfs/dbraw/zinc/32/46/85/387324685.db2.gz SRKQYZJOZWTTSH-CBAPKCEASA-N 2 2 246.276 2.492 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000423476853 387325265 /nfs/dbraw/zinc/32/52/65/387325265.db2.gz SRKQYZJOZWTTSH-VXNVDRBHSA-N 2 2 246.276 2.492 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000423483178 387328602 /nfs/dbraw/zinc/32/86/02/387328602.db2.gz SDBFHBNAXBUFIB-SWLSCSKDSA-N 2 2 247.386 2.007 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000423483178 387328606 /nfs/dbraw/zinc/32/86/06/387328606.db2.gz SDBFHBNAXBUFIB-SWLSCSKDSA-N 2 2 247.386 2.007 20 0 BEADLP COCC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354125040 387334742 /nfs/dbraw/zinc/33/47/42/387334742.db2.gz PSUDHLDYPJQWSO-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)[C@@H]1C[C@@H]1C ZINC000321975899 387344946 /nfs/dbraw/zinc/34/49/46/387344946.db2.gz BSAJBYYPTYRDSB-YUTCNCBUSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)[C@@H]1C[C@@H]1C ZINC000321975899 387344951 /nfs/dbraw/zinc/34/49/51/387344951.db2.gz BSAJBYYPTYRDSB-YUTCNCBUSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCCF)C1 ZINC000367133764 387437409 /nfs/dbraw/zinc/43/74/09/387437409.db2.gz PXFIDQDOOWWCLJ-GFCCVEGCSA-N 2 2 239.338 2.349 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCCF)C1 ZINC000367133764 387437411 /nfs/dbraw/zinc/43/74/11/387437411.db2.gz PXFIDQDOOWWCLJ-GFCCVEGCSA-N 2 2 239.338 2.349 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643505240 387448914 /nfs/dbraw/zinc/44/89/14/387448914.db2.gz OFJDJKAPKVFUES-ZDUSSCGKSA-N 2 2 240.297 2.151 20 0 BEADLP CSC1(C[NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000304246917 387453034 /nfs/dbraw/zinc/45/30/34/387453034.db2.gz GACDRLHWLPOUJC-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000084574690 387455837 /nfs/dbraw/zinc/45/58/37/387455837.db2.gz GZZDHASKLQVODJ-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)CCO1 ZINC000648485753 387387679 /nfs/dbraw/zinc/38/76/79/387387679.db2.gz BTKJVRFBILIQQM-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506396 387460026 /nfs/dbraw/zinc/46/00/26/387460026.db2.gz UYPNYARXLWKWSV-GFCCVEGCSA-N 2 2 248.370 2.406 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](O)C2(C)C)c[nH+]1 ZINC000354634319 387407523 /nfs/dbraw/zinc/40/75/23/387407523.db2.gz JBSDUDZAOQHIGD-UONOGXRCSA-N 2 2 248.370 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2(CCO)CC2)c[nH+]1 ZINC000354648429 387411020 /nfs/dbraw/zinc/41/10/20/387411020.db2.gz MYUWVDPZKFQKKV-UHFFFAOYSA-N 2 2 248.370 2.075 20 0 BEADLP C[C@@H](C[NH2+]C(C1CCC1)C1CCC1)[NH+](C)C ZINC000304312857 387460897 /nfs/dbraw/zinc/46/08/97/387460897.db2.gz KPMUAUSUKIOEJE-NSHDSACASA-N 2 2 224.392 2.495 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000361230608 387420579 /nfs/dbraw/zinc/42/05/79/387420579.db2.gz PUIZFQNYVKSUTO-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000361230608 387420584 /nfs/dbraw/zinc/42/05/84/387420584.db2.gz PUIZFQNYVKSUTO-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000300409779 387520309 /nfs/dbraw/zinc/52/03/09/387520309.db2.gz UBMHZXOASSXTLI-CABCVRRESA-N 2 2 232.371 2.331 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000300409779 387520315 /nfs/dbraw/zinc/52/03/15/387520315.db2.gz UBMHZXOASSXTLI-CABCVRRESA-N 2 2 232.371 2.331 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000397032448 387533163 /nfs/dbraw/zinc/53/31/63/387533163.db2.gz MAEIELLXYRULBR-ZFWWWQNUSA-N 2 2 247.386 2.319 20 0 BEADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC000122472886 387533647 /nfs/dbraw/zinc/53/36/47/387533647.db2.gz LCZXJPPCMQHCLU-QWHCGFSZSA-N 2 2 244.448 2.448 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](CC3(F)CC3)CC2)c1 ZINC000527218575 387537967 /nfs/dbraw/zinc/53/79/67/387537967.db2.gz HQAKPVDJJAMIRB-UHFFFAOYSA-N 2 2 249.333 2.014 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(F)c1 ZINC000643505851 387463605 /nfs/dbraw/zinc/46/36/05/387463605.db2.gz BOFWGWYRXZZXEJ-JTQLQIEISA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(F)cc(F)c1 ZINC000643506311 387465931 /nfs/dbraw/zinc/46/59/31/387465931.db2.gz RQWPFGVWJMQVKK-SECBINFHSA-N 2 2 240.297 2.367 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506065 387466644 /nfs/dbraw/zinc/46/66/44/387466644.db2.gz JQHYWVIBGJYAAL-HNNXBMFYSA-N 2 2 230.355 2.324 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CO[C@H](C)C2)c[nH+]1 ZINC000516182675 387467844 /nfs/dbraw/zinc/46/78/44/387467844.db2.gz HVCTULPKNLVCFN-OCCSQVGLSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1N(C)C ZINC000643507235 387475841 /nfs/dbraw/zinc/47/58/41/387475841.db2.gz WTDIWROLBADLIY-GFCCVEGCSA-N 2 2 247.386 2.155 20 0 BEADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507561 387477211 /nfs/dbraw/zinc/47/72/11/387477211.db2.gz IFAUIXRRLGPGEV-SWLSCSKDSA-N 2 2 248.370 2.104 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396701574 387486724 /nfs/dbraw/zinc/48/67/24/387486724.db2.gz NFJZOLFJNSGMNI-WFASDCNBSA-N 2 2 232.371 2.479 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cccnc21 ZINC000643511301 387593320 /nfs/dbraw/zinc/59/33/20/387593320.db2.gz XARJDLGSRZXKNC-KBPBESRZSA-N 2 2 247.386 2.422 20 0 BEADLP Cc1ccc(C[N@H+](C)CC[NH3+])cc1Cl ZINC000162904061 387597941 /nfs/dbraw/zinc/59/79/41/387597941.db2.gz RQPFZYBMDFNWTA-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC[NH3+])cc1Cl ZINC000162904061 387597948 /nfs/dbraw/zinc/59/79/48/387597948.db2.gz RQPFZYBMDFNWTA-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000122855091 387609670 /nfs/dbraw/zinc/60/96/70/387609670.db2.gz GCJZFCXADNMLHH-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000122855091 387609674 /nfs/dbraw/zinc/60/96/74/387609674.db2.gz GCJZFCXADNMLHH-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP c1csc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000527533249 387623734 /nfs/dbraw/zinc/62/37/34/387623734.db2.gz SEHBWKODLFHYQE-NSHDSACASA-N 2 2 222.357 2.122 20 0 BEADLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccn1 ZINC000527533532 387625823 /nfs/dbraw/zinc/62/58/23/387625823.db2.gz HRLBTNLDTJTEEH-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000375500137 387545242 /nfs/dbraw/zinc/54/52/42/387545242.db2.gz XTTAQVKCBKYTEA-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000375500137 387545251 /nfs/dbraw/zinc/54/52/51/387545251.db2.gz XTTAQVKCBKYTEA-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000426472195 387575235 /nfs/dbraw/zinc/57/52/35/387575235.db2.gz OBJZZRVSFOFRGR-QWHCGFSZSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000426472195 387575239 /nfs/dbraw/zinc/57/52/39/387575239.db2.gz OBJZZRVSFOFRGR-QWHCGFSZSA-N 2 2 219.332 2.148 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000123052629 387641665 /nfs/dbraw/zinc/64/16/65/387641665.db2.gz XCBZEVOSRPTGEX-LEWSCRJBSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000123052629 387641670 /nfs/dbraw/zinc/64/16/70/387641670.db2.gz XCBZEVOSRPTGEX-LEWSCRJBSA-N 2 2 222.376 2.247 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cccnc2C)CC1 ZINC000125276156 387648626 /nfs/dbraw/zinc/64/86/26/387648626.db2.gz SUIFWHHLUVEJDJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cccnc2C)CC1 ZINC000125276156 387648632 /nfs/dbraw/zinc/64/86/32/387648632.db2.gz SUIFWHHLUVEJDJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527638609 387648759 /nfs/dbraw/zinc/64/87/59/387648759.db2.gz XTQYAPPKLAQGCY-RFHZTLPTSA-N 2 2 233.359 2.296 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527722026 387678067 /nfs/dbraw/zinc/67/80/67/387678067.db2.gz TVRDTTRPVNBKSP-DRZSPHRISA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781013 387680590 /nfs/dbraw/zinc/68/05/90/387680590.db2.gz JZKPHQONTFDZSE-BNOWGMLFSA-N 2 2 233.359 2.263 20 0 BEADLP COc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000422783035 387681647 /nfs/dbraw/zinc/68/16/47/387681647.db2.gz KMFYRLCYURCEAV-ZFWWWQNUSA-N 2 2 248.370 2.344 20 0 BEADLP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000422783030 387681754 /nfs/dbraw/zinc/68/17/54/387681754.db2.gz KMFYRLCYURCEAV-DZGCQCFKSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694800 387687806 /nfs/dbraw/zinc/68/78/06/387687806.db2.gz KYGFRFWNGDLPPO-ZZVYKPCYSA-N 2 2 245.370 2.222 20 0 BEADLP c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684989 387687914 /nfs/dbraw/zinc/68/79/14/387687914.db2.gz SDBZIWZVQZJRPY-ZDUSSCGKSA-N 2 2 216.328 2.013 20 0 BEADLP c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684989 387687919 /nfs/dbraw/zinc/68/79/19/387687919.db2.gz SDBZIWZVQZJRPY-ZDUSSCGKSA-N 2 2 216.328 2.013 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422791047 387694047 /nfs/dbraw/zinc/69/40/47/387694047.db2.gz VGUAHWSHCWKKOQ-SWLSCSKDSA-N 2 2 232.371 2.337 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000422861220 387743110 /nfs/dbraw/zinc/74/31/10/387743110.db2.gz NOLVMZZWQFJMFQ-AVGNSLFASA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000422863221 387746834 /nfs/dbraw/zinc/74/68/34/387746834.db2.gz RIGUGBUBGTXSBT-OUAUKWLOSA-N 2 2 239.388 2.182 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000643526260 387750610 /nfs/dbraw/zinc/75/06/10/387750610.db2.gz WVYDSRPXMRUTSC-RKDXNWHRSA-N 2 2 244.285 2.286 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1OC(F)F ZINC000643526258 387750917 /nfs/dbraw/zinc/75/09/17/387750917.db2.gz WVYDSRPXMRUTSC-DTWKUNHWSA-N 2 2 244.285 2.286 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527844481 387752248 /nfs/dbraw/zinc/75/22/48/387752248.db2.gz ARTDXQJXJODLAG-UTUOFQBUSA-N 2 2 219.332 2.050 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000440783605 387697449 /nfs/dbraw/zinc/69/74/49/387697449.db2.gz LNMDZCWADJNYLX-CHWSQXEVSA-N 2 2 239.338 2.404 20 0 BEADLP CC[C@@H](F)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000440783605 387697450 /nfs/dbraw/zinc/69/74/50/387697450.db2.gz LNMDZCWADJNYLX-CHWSQXEVSA-N 2 2 239.338 2.404 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422800002 387700519 /nfs/dbraw/zinc/70/05/19/387700519.db2.gz ZARKRKMVHFMGLL-BYCMXARLSA-N 2 2 230.355 2.404 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H](C)C1 ZINC000377550703 387728007 /nfs/dbraw/zinc/72/80/07/387728007.db2.gz QUOKNYKWKILSRM-CYBMUJFWSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H](C)C1 ZINC000377550703 387728011 /nfs/dbraw/zinc/72/80/11/387728011.db2.gz QUOKNYKWKILSRM-CYBMUJFWSA-N 2 2 248.370 2.291 20 0 BEADLP c1cncc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527808102 387731428 /nfs/dbraw/zinc/73/14/28/387731428.db2.gz QCNSENYQFOKQCT-HNNXBMFYSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527808102 387731433 /nfs/dbraw/zinc/73/14/33/387731433.db2.gz QCNSENYQFOKQCT-HNNXBMFYSA-N 2 2 245.370 2.188 20 0 BEADLP CC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527811585 387734988 /nfs/dbraw/zinc/73/49/88/387734988.db2.gz RKHGUISNVKSWPY-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527811585 387734992 /nfs/dbraw/zinc/73/49/92/387734992.db2.gz RKHGUISNVKSWPY-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527864249 387738349 /nfs/dbraw/zinc/73/83/49/387738349.db2.gz KNTGCUMAQSMBGS-UPJWGTAASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527864249 387738355 /nfs/dbraw/zinc/73/83/55/387738355.db2.gz KNTGCUMAQSMBGS-UPJWGTAASA-N 2 2 222.376 2.106 20 0 BEADLP CCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378063787 387762867 /nfs/dbraw/zinc/76/28/67/387762867.db2.gz XMHCJPDZJXBJFC-UHFFFAOYSA-N 2 2 207.321 2.389 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000129103692 387763138 /nfs/dbraw/zinc/76/31/38/387763138.db2.gz OVVSVSHRIRGXHD-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000129103692 387763145 /nfs/dbraw/zinc/76/31/45/387763145.db2.gz OVVSVSHRIRGXHD-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527873915 387765880 /nfs/dbraw/zinc/76/58/80/387765880.db2.gz WXXLXLSTUYIRSG-OXHZDVMGSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527873915 387765885 /nfs/dbraw/zinc/76/58/85/387765885.db2.gz WXXLXLSTUYIRSG-OXHZDVMGSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000643528981 387771958 /nfs/dbraw/zinc/77/19/58/387771958.db2.gz SGRKZROYPFJZOI-MWLCHTKSSA-N 2 2 222.332 2.230 20 0 BEADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCCO2 ZINC000643529232 387772034 /nfs/dbraw/zinc/77/20/34/387772034.db2.gz XCYCSCCRRPGBLE-TZMCWYRMSA-N 2 2 248.370 2.454 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000643529240 387772844 /nfs/dbraw/zinc/77/28/44/387772844.db2.gz XLRRLBCEEIFENS-UFBFGSQYSA-N 2 2 228.286 2.353 20 0 BEADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)[NH3+])oc21 ZINC000643528750 387773241 /nfs/dbraw/zinc/77/32/41/387773241.db2.gz ODTNRJJXNFYXQP-UWVGGRQHSA-N 2 2 248.326 2.439 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CCCO2 ZINC000643529341 387776762 /nfs/dbraw/zinc/77/67/62/387776762.db2.gz YUBFEXNHQSQNFV-WCQYABFASA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC12CC2 ZINC000527901107 387780163 /nfs/dbraw/zinc/78/01/63/387780163.db2.gz QJFTWVRRLMPZPO-WCQYABFASA-N 2 2 245.370 2.498 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC12CC2 ZINC000527901097 387780359 /nfs/dbraw/zinc/78/03/59/387780359.db2.gz QJFTWVRRLMPZPO-AAEUAGOBSA-N 2 2 245.370 2.498 20 0 BEADLP C[C@H]([NH2+]C1(c2ccccc2F)CC1)C1C[NH2+]C1 ZINC000422947128 387786167 /nfs/dbraw/zinc/78/61/67/387786167.db2.gz PTJCWZTVCZOJPX-JTQLQIEISA-N 2 2 234.318 2.012 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000527913756 387787080 /nfs/dbraw/zinc/78/70/80/387787080.db2.gz JWEXVOUDDQLWCA-NWDGAFQWSA-N 2 2 249.358 2.375 20 0 BEADLP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422979416 387788437 /nfs/dbraw/zinc/78/84/37/387788437.db2.gz MQXRAXVJWATNNW-MKNKUNMXSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)Oc1ccccc1 ZINC000422980153 387791724 /nfs/dbraw/zinc/79/17/24/387791724.db2.gz LCHYYDFLFLZESM-GZBFAFLISA-N 2 2 248.370 2.042 20 0 BEADLP CC1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527999171 387805139 /nfs/dbraw/zinc/80/51/39/387805139.db2.gz FPEUGFHGJPFLIQ-ORHYLEIMSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527999171 387805142 /nfs/dbraw/zinc/80/51/42/387805142.db2.gz FPEUGFHGJPFLIQ-ORHYLEIMSA-N 2 2 222.376 2.391 20 0 BEADLP COC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952902 387808830 /nfs/dbraw/zinc/80/88/30/387808830.db2.gz COAVKFWHDBHNIN-VHDGCEQUSA-N 2 2 248.370 2.104 20 0 BEADLP COC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952903 387809016 /nfs/dbraw/zinc/80/90/16/387809016.db2.gz COAVKFWHDBHNIN-YUELXQCFSA-N 2 2 248.370 2.104 20 0 BEADLP COC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952896 387809213 /nfs/dbraw/zinc/80/92/13/387809213.db2.gz COAVKFWHDBHNIN-AEGPPILISA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000442649834 387809868 /nfs/dbraw/zinc/80/98/68/387809868.db2.gz NIUMOUVTSLBMOP-FZMZJTMJSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000442649834 387809876 /nfs/dbraw/zinc/80/98/76/387809876.db2.gz NIUMOUVTSLBMOP-FZMZJTMJSA-N 2 2 236.334 2.180 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527855380 387757259 /nfs/dbraw/zinc/75/72/59/387757259.db2.gz XAVMLIOONKDDLL-AGIUHOORSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527855380 387757266 /nfs/dbraw/zinc/75/72/66/387757266.db2.gz XAVMLIOONKDDLL-AGIUHOORSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000643526549 387758371 /nfs/dbraw/zinc/75/83/71/387758371.db2.gz AXSKQSYFZWYANV-GHMZBOCLSA-N 2 2 229.327 2.233 20 0 BEADLP CCC[N@@H+]1CC[C@H](CNc2[nH+]cccc2OC)C1 ZINC000527860447 387760708 /nfs/dbraw/zinc/76/07/08/387760708.db2.gz VXEQMJZXAJJYDN-GFCCVEGCSA-N 2 2 249.358 2.234 20 0 BEADLP CCC[N@H+]1CC[C@H](CNc2[nH+]cccc2OC)C1 ZINC000527860447 387760713 /nfs/dbraw/zinc/76/07/13/387760713.db2.gz VXEQMJZXAJJYDN-GFCCVEGCSA-N 2 2 249.358 2.234 20 0 BEADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)[NH3+])C2CCC2)o1 ZINC000643528001 387761363 /nfs/dbraw/zinc/76/13/63/387761363.db2.gz XDYXVDRAMSOUSX-ZANVPECISA-N 2 2 222.332 2.366 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423008292 387831776 /nfs/dbraw/zinc/83/17/76/387831776.db2.gz ZSQJWHDQTXLPNM-WFASDCNBSA-N 2 2 248.370 2.234 20 0 BEADLP CC[C@H](C)[C@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000442776097 387837145 /nfs/dbraw/zinc/83/71/45/387837145.db2.gz YCZHDSMOYZOVLW-GUBZILKMSA-N 2 2 240.351 2.161 20 0 BEADLP C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423015742 387839000 /nfs/dbraw/zinc/83/90/00/387839000.db2.gz RKQCEVAQASCDRV-CQDKDKBSSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643535814 387865403 /nfs/dbraw/zinc/86/54/03/387865403.db2.gz JPHUAVKBSXKIBN-DRZSPHRISA-N 2 2 222.307 2.037 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccs1 ZINC000643537275 387874812 /nfs/dbraw/zinc/87/48/12/387874812.db2.gz CGGMDHZSVYQFRT-UTLUCORTSA-N 2 2 228.336 2.099 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1CCC[NH2+]1 ZINC000422963786 387814827 /nfs/dbraw/zinc/81/48/27/387814827.db2.gz JMENSHMWYWTCNZ-WXHSDQCUSA-N 2 2 234.343 2.387 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309520407 387815186 /nfs/dbraw/zinc/81/51/86/387815186.db2.gz ZXMTUFPOHADOER-XBFCOCLRSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000309520407 387815190 /nfs/dbraw/zinc/81/51/90/387815190.db2.gz ZXMTUFPOHADOER-XBFCOCLRSA-N 2 2 222.376 2.106 20 0 BEADLP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000442667197 387818807 /nfs/dbraw/zinc/81/88/07/387818807.db2.gz YOKIRYKCWWZKKJ-WCQYABFASA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000442667197 387818809 /nfs/dbraw/zinc/81/88/09/387818809.db2.gz YOKIRYKCWWZKKJ-WCQYABFASA-N 2 2 234.343 2.179 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000564081155 387819434 /nfs/dbraw/zinc/81/94/34/387819434.db2.gz ZDVPRGORBQBCTH-CABCVRRESA-N 2 2 248.370 2.025 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000564081155 387819443 /nfs/dbraw/zinc/81/94/43/387819443.db2.gz ZDVPRGORBQBCTH-CABCVRRESA-N 2 2 248.370 2.025 20 0 BEADLP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000442667194 387819530 /nfs/dbraw/zinc/81/95/30/387819530.db2.gz YOKIRYKCWWZKKJ-AAEUAGOBSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000442667194 387819533 /nfs/dbraw/zinc/81/95/33/387819533.db2.gz YOKIRYKCWWZKKJ-AAEUAGOBSA-N 2 2 234.343 2.179 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000423106849 387891559 /nfs/dbraw/zinc/89/15/59/387891559.db2.gz DMQMHNNKIOIYCR-MNOVXSKESA-N 2 2 236.384 2.421 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccon1 ZINC000444633414 387896094 /nfs/dbraw/zinc/89/60/94/387896094.db2.gz SVYYGHNYALNUST-LBPRGKRZSA-N 2 2 237.347 2.201 20 0 BEADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537311 387875761 /nfs/dbraw/zinc/87/57/61/387875761.db2.gz DXEIGFGBBHKGPT-CYDGBPFRSA-N 2 2 230.371 2.491 20 0 BEADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423076819 387876051 /nfs/dbraw/zinc/87/60/51/387876051.db2.gz ZWLCKZZMFDUTJJ-MGPQQGTHSA-N 2 2 246.354 2.288 20 0 BEADLP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423076817 387876476 /nfs/dbraw/zinc/87/64/76/387876476.db2.gz ZWLCKZZMFDUTJJ-BFHYXJOUSA-N 2 2 246.354 2.288 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCC[C@H]1C ZINC000643538389 387876428 /nfs/dbraw/zinc/87/64/28/387876428.db2.gz JBPFMFCQPQLNME-QMVSFRDZSA-N 2 2 242.382 2.491 20 0 BEADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538733 387877415 /nfs/dbraw/zinc/87/74/15/387877415.db2.gz UBLIUVMETJNXNM-CYDGBPFRSA-N 2 2 246.345 2.194 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000643540444 387881667 /nfs/dbraw/zinc/88/16/67/387881667.db2.gz IAVLFMUFWDXBRR-XVKPBYJWSA-N 2 2 227.377 2.148 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424175998 387884228 /nfs/dbraw/zinc/88/42/28/387884228.db2.gz RKKDVZTXOAXCLS-MXAVVETBSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)[C@@H](C)C1 ZINC000424175998 387884231 /nfs/dbraw/zinc/88/42/31/387884231.db2.gz RKKDVZTXOAXCLS-MXAVVETBSA-N 2 2 236.403 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)[C@@H]1C[C@H]1C ZINC000322077158 387884395 /nfs/dbraw/zinc/88/43/95/387884395.db2.gz UCRVGIUTEWZWIP-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154538768 387899889 /nfs/dbraw/zinc/89/98/89/387899889.db2.gz HHAGTZJQXCTAMQ-WDEREUQCSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccs1 ZINC000154538768 387899891 /nfs/dbraw/zinc/89/98/91/387899891.db2.gz HHAGTZJQXCTAMQ-WDEREUQCSA-N 2 2 224.373 2.493 20 0 BEADLP CC[C@H]([NH2+]Cc1occc1C)[C@@H]1CCC[NH2+]1 ZINC000423122230 387903206 /nfs/dbraw/zinc/90/32/06/387903206.db2.gz BXRUJFBWZRRVMV-RYUDHWBXSA-N 2 2 222.332 2.208 20 0 BEADLP C[C@H](CCCC[NH3+])[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000423136811 387914421 /nfs/dbraw/zinc/91/44/21/387914421.db2.gz ZMPGQYLZZBNQMD-SCZZXKLOSA-N 2 2 238.297 2.434 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@H]1C ZINC000321153027 387952158 /nfs/dbraw/zinc/95/21/58/387952158.db2.gz WLISNLOWYLUVIV-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1F ZINC000225191173 387940788 /nfs/dbraw/zinc/94/07/88/387940788.db2.gz ZQGLSHFWKIREOW-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000225191173 387940793 /nfs/dbraw/zinc/94/07/93/387940793.db2.gz ZQGLSHFWKIREOW-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000245545976 387959428 /nfs/dbraw/zinc/95/94/28/387959428.db2.gz USDJIZPDOVUEFL-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000245545976 387959433 /nfs/dbraw/zinc/95/94/33/387959433.db2.gz USDJIZPDOVUEFL-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423176556 387962024 /nfs/dbraw/zinc/96/20/24/387962024.db2.gz GKFJEIHDGKGXIU-MROQNXINSA-N 2 2 234.343 2.256 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423176555 387962432 /nfs/dbraw/zinc/96/24/32/387962432.db2.gz GKFJEIHDGKGXIU-FVCCEPFGSA-N 2 2 234.343 2.256 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094558 387963615 /nfs/dbraw/zinc/96/36/15/387963615.db2.gz LQDWSBJPZXMUOJ-GFCCVEGCSA-N 2 2 209.337 2.297 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000045094611 387964561 /nfs/dbraw/zinc/96/45/61/387964561.db2.gz YBSWYKBNJKUQQI-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423177133 387964917 /nfs/dbraw/zinc/96/49/17/387964917.db2.gz AJBCPYKLBBZPDX-KBPBESRZSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400473837 387965992 /nfs/dbraw/zinc/96/59/92/387965992.db2.gz ZARKRKMVHFMGLL-TUKIKUTGSA-N 2 2 230.355 2.404 20 0 BEADLP CCCCOc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423181932 387967264 /nfs/dbraw/zinc/96/72/64/387967264.db2.gz JYRPJNCDIOCUGV-GFCCVEGCSA-N 2 2 236.359 2.475 20 0 BEADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423186427 387971085 /nfs/dbraw/zinc/97/10/85/387971085.db2.gz ODAPHNFVZPBPEE-MRVPVSSYSA-N 2 2 227.377 2.184 20 0 BEADLP c1cncc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423196034 387981802 /nfs/dbraw/zinc/98/18/02/387981802.db2.gz UKECFRSWLCMPOI-LSDHHAIUSA-N 2 2 245.370 2.264 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196011 387981309 /nfs/dbraw/zinc/98/13/09/387981309.db2.gz UHHHHBGVJIOOFO-WCQYABFASA-N 2 2 233.359 2.047 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1 ZINC000453056532 387975296 /nfs/dbraw/zinc/97/52/96/387975296.db2.gz LIXHNEARYFIKRS-AWEZNQCLSA-N 2 2 244.342 2.409 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)[NH+](C)C ZINC000453115333 387987390 /nfs/dbraw/zinc/98/73/90/387987390.db2.gz XEVKYYAIAPOBIJ-GXFFZTMASA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000423204187 387989659 /nfs/dbraw/zinc/98/96/59/387989659.db2.gz NXISEMWCIMPLJN-ZFWWWQNUSA-N 2 2 248.370 2.488 20 0 BEADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423204854 387992112 /nfs/dbraw/zinc/99/21/12/387992112.db2.gz OUAASNZSRWGACH-KGLIPLIRSA-N 2 2 234.318 2.228 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423209613 387992810 /nfs/dbraw/zinc/99/28/10/387992810.db2.gz VHKFBMOYRQDBSK-LJWDBELGSA-N 2 2 234.318 2.011 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000251577457 135071213 /nfs/dbraw/zinc/07/12/13/135071213.db2.gz BXBSGGPTCKYSCL-XQQFMLRXSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000251577457 135071215 /nfs/dbraw/zinc/07/12/15/135071215.db2.gz BXBSGGPTCKYSCL-XQQFMLRXSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cc(F)ccc1F ZINC000420399452 387999146 /nfs/dbraw/zinc/99/91/46/387999146.db2.gz HVWGGJHURHIQOG-PELKAZGASA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cc(F)ccc1F ZINC000420399453 387999909 /nfs/dbraw/zinc/99/99/09/387999909.db2.gz HVWGGJHURHIQOG-PRHODGIISA-N 2 2 228.286 2.353 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCSc2ccccc21 ZINC000423222274 388002497 /nfs/dbraw/zinc/00/24/97/388002497.db2.gz ALLFNDDCBDDXAJ-NSHDSACASA-N 2 2 222.357 2.033 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H](C)C2 ZINC000423220441 388002552 /nfs/dbraw/zinc/00/25/52/388002552.db2.gz XXYSCTSIHRJKPU-CORIIIEPSA-N 2 2 230.355 2.180 20 0 BEADLP CCCOc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423222467 388004296 /nfs/dbraw/zinc/00/42/96/388004296.db2.gz BCSTVEZVMUQGPO-LBPRGKRZSA-N 2 2 236.359 2.345 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000423222853 388004511 /nfs/dbraw/zinc/00/45/11/388004511.db2.gz CYNQEMZAXCQEHG-GFCCVEGCSA-N 2 2 236.359 2.344 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423224253 388005494 /nfs/dbraw/zinc/00/54/94/388005494.db2.gz ISEPQJAWWQMBCT-LLVKDONJSA-N 2 2 206.333 2.119 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423226530 388008943 /nfs/dbraw/zinc/00/89/43/388008943.db2.gz RBPDNSBKEPFHHJ-JTQLQIEISA-N 2 2 224.373 2.279 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000423226023 388009718 /nfs/dbraw/zinc/00/97/18/388009718.db2.gz PDNNVBYZVGFYQS-SECBINFHSA-N 2 2 244.285 2.158 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423227462 388010688 /nfs/dbraw/zinc/01/06/88/388010688.db2.gz VWYURFCRZVBWRD-CYBMUJFWSA-N 2 2 234.343 2.018 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423242910 388025588 /nfs/dbraw/zinc/02/55/88/388025588.db2.gz JPXPVHDKVRCSPD-AWEZNQCLSA-N 2 2 248.370 2.408 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000423227910 388013344 /nfs/dbraw/zinc/01/33/44/388013344.db2.gz XMBFUNAOWWQMBN-JTQLQIEISA-N 2 2 238.400 2.497 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423231915 388016509 /nfs/dbraw/zinc/01/65/09/388016509.db2.gz HLBDUQHYNKEVMX-UONOGXRCSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCCOC1 ZINC000423233674 388018726 /nfs/dbraw/zinc/01/87/26/388018726.db2.gz DZSLOSJRUGGPGW-NWANDNLSSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423235846 388021408 /nfs/dbraw/zinc/02/14/08/388021408.db2.gz BLLOLEVVNDNBPY-GXSJLCMTSA-N 2 2 224.373 2.496 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423238096 388022618 /nfs/dbraw/zinc/02/26/18/388022618.db2.gz FAYIRKMMTGITCM-CQSZACIVSA-N 2 2 218.344 2.181 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000423238141 388023094 /nfs/dbraw/zinc/02/30/94/388023094.db2.gz FGZXZUJNAWTEEC-NSHDSACASA-N 2 2 238.379 2.033 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000423249453 388032351 /nfs/dbraw/zinc/03/23/51/388032351.db2.gz SCUPMCNWFQFNAL-LBPRGKRZSA-N 2 2 206.333 2.255 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1(C)CC1 ZINC000423252286 388033732 /nfs/dbraw/zinc/03/37/32/388033732.db2.gz XIWGCYVXVZIAJJ-AAEUAGOBSA-N 2 2 218.344 2.465 20 0 BEADLP COC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCC1 ZINC000446757125 388036936 /nfs/dbraw/zinc/03/69/36/388036936.db2.gz QVGSGEHZLIWJCI-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)oc1C ZINC000423265516 388044471 /nfs/dbraw/zinc/04/44/71/388044471.db2.gz BCIXLXFAFIBFLS-BXKDBHETSA-N 2 2 222.332 2.284 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccncn1 ZINC000423259353 388038013 /nfs/dbraw/zinc/03/80/13/388038013.db2.gz DOAYIUYSPBMQJG-RISCZKNCSA-N 2 2 248.374 2.035 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000423261623 388040913 /nfs/dbraw/zinc/04/09/13/388040913.db2.gz KIOORSNYZXKMTR-MNOVXSKESA-N 2 2 210.321 2.222 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423264978 388044037 /nfs/dbraw/zinc/04/40/37/388044037.db2.gz QJVWJBXPNDJLRI-TZMCWYRMSA-N 2 2 235.375 2.414 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423245927 388028275 /nfs/dbraw/zinc/02/82/75/388028275.db2.gz MRAXBQPNUSISEN-CQSZACIVSA-N 2 2 218.344 2.337 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423246256 388029625 /nfs/dbraw/zinc/02/96/25/388029625.db2.gz NDWJGADJLSWZKH-ZWNOBZJWSA-N 2 2 204.317 2.044 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C)c1cccc(F)c1 ZINC000423247741 388029938 /nfs/dbraw/zinc/02/99/38/388029938.db2.gz PISYXHIDRKGSGA-LBPRGKRZSA-N 2 2 210.296 2.086 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423246287 388030012 /nfs/dbraw/zinc/03/00/12/388030012.db2.gz NIEYVDJHDAWQII-SECBINFHSA-N 2 2 228.286 2.225 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423246254 388030314 /nfs/dbraw/zinc/03/03/14/388030314.db2.gz NDWJGADJLSWZKH-GXFFZTMASA-N 2 2 204.317 2.044 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423248421 388031301 /nfs/dbraw/zinc/03/13/01/388031301.db2.gz RSGZPWLTHKDJDQ-TZMCWYRMSA-N 2 2 241.338 2.432 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423248851 388031846 /nfs/dbraw/zinc/03/18/46/388031846.db2.gz RDEFOSIMFDIDKN-GFCCVEGCSA-N 2 2 235.375 2.013 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271428 388050873 /nfs/dbraw/zinc/05/08/73/388050873.db2.gz HKRXYYULLFYCEU-MFKMUULPSA-N 2 2 234.343 2.083 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423278863 388060781 /nfs/dbraw/zinc/06/07/81/388060781.db2.gz REOBADHEEBWLIB-MFKMUULPSA-N 2 2 222.332 2.026 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccccn1 ZINC000423281498 388063668 /nfs/dbraw/zinc/06/36/68/388063668.db2.gz BLTRNNHHICRYLV-NSHDSACASA-N 2 2 221.348 2.250 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccccn1 ZINC000423281495 388064052 /nfs/dbraw/zinc/06/40/52/388064052.db2.gz BLTRNNHHICRYLV-LLVKDONJSA-N 2 2 221.348 2.250 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccco1 ZINC000423284008 388067640 /nfs/dbraw/zinc/06/76/40/388067640.db2.gz XXKBJDMRLOPGLS-GHMZBOCLSA-N 2 2 210.321 2.304 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453395443 388071378 /nfs/dbraw/zinc/07/13/78/388071378.db2.gz JTOUNBNZALFPDB-GFCCVEGCSA-N 2 2 242.407 2.264 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453395443 388071379 /nfs/dbraw/zinc/07/13/79/388071379.db2.gz JTOUNBNZALFPDB-GFCCVEGCSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccn1 ZINC000423288844 388072758 /nfs/dbraw/zinc/07/27/58/388072758.db2.gz VILIIBGFMVTZQJ-NSHDSACASA-N 2 2 221.348 2.250 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)c(F)c(F)c1 ZINC000423288834 388073231 /nfs/dbraw/zinc/07/32/31/388073231.db2.gz VHYOGDFBFIVGSC-ZETCQYMHSA-N 2 2 246.276 2.492 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1nccs1 ZINC000423297374 388080072 /nfs/dbraw/zinc/08/00/72/388080072.db2.gz KARMTQVSAWGIKR-NXEZZACHSA-N 2 2 227.377 2.311 20 0 BEADLP CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)CCO1 ZINC000453624209 388094732 /nfs/dbraw/zinc/09/47/32/388094732.db2.gz PRFDQQZIAVKLPL-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]1C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)CCO1 ZINC000453624211 388094796 /nfs/dbraw/zinc/09/47/96/388094796.db2.gz PRFDQQZIAVKLPL-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(CCC[NH2+]C(C)(C)C[NH+](C)C)cn1 ZINC000453625830 388094956 /nfs/dbraw/zinc/09/49/56/388094956.db2.gz RVPWEXVRCMFEET-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423266882 388045556 /nfs/dbraw/zinc/04/55/56/388045556.db2.gz SOFBZNYEDBFPOT-CMPLNLGQSA-N 2 2 239.338 2.245 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423267302 388045836 /nfs/dbraw/zinc/04/58/36/388045836.db2.gz FEGIWSPQBSTBLA-ONGXEEELSA-N 2 2 241.766 2.369 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)CC1CCCCC1 ZINC000179448523 256514698 /nfs/dbraw/zinc/51/46/98/256514698.db2.gz NOINDCVWLNNPSK-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)CC1CCCCC1 ZINC000179448523 256514700 /nfs/dbraw/zinc/51/47/00/256514700.db2.gz NOINDCVWLNNPSK-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1cccc(CC[NH2+]C[C@@H](C)[NH+](C)C)c1 ZINC000449225710 388159347 /nfs/dbraw/zinc/15/93/47/388159347.db2.gz OUSLKAUVGLETJJ-CYBMUJFWSA-N 2 2 220.360 2.077 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449259973 388164043 /nfs/dbraw/zinc/16/40/43/388164043.db2.gz UHBZDYMITGTBTM-AAEUAGOBSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449259975 388164143 /nfs/dbraw/zinc/16/41/43/388164143.db2.gz UHBZDYMITGTBTM-WCQYABFASA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449338532 388175676 /nfs/dbraw/zinc/17/56/76/388175676.db2.gz SHGHUSXTTTVMNZ-CMPLNLGQSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449338532 388175677 /nfs/dbraw/zinc/17/56/77/388175677.db2.gz SHGHUSXTTTVMNZ-CMPLNLGQSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000488474395 388182020 /nfs/dbraw/zinc/18/20/20/388182020.db2.gz ZMTJATRHQHTEME-BMFZPTHFSA-N 2 2 246.398 2.405 20 0 BEADLP COc1cc(C)ccc1C[NH2+]CCC[NH+](C)C ZINC000449065214 388137925 /nfs/dbraw/zinc/13/79/25/388137925.db2.gz SNBQDWMAXNPPTO-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000449148859 388149204 /nfs/dbraw/zinc/14/92/04/388149204.db2.gz VESJCLGKZAHHAT-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000449148859 388149205 /nfs/dbraw/zinc/14/92/05/388149205.db2.gz VESJCLGKZAHHAT-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCOC2(C)C)c[nH+]1 ZINC000449413121 388197992 /nfs/dbraw/zinc/19/79/92/388197992.db2.gz FPGZADHVTHAJKO-CQSZACIVSA-N 2 2 248.370 2.480 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C1COC1 ZINC000449429642 388204217 /nfs/dbraw/zinc/20/42/17/388204217.db2.gz XRBFVVKDATUYHW-UHFFFAOYSA-N 2 2 234.343 2.043 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C1COC1 ZINC000449429642 388204220 /nfs/dbraw/zinc/20/42/20/388204220.db2.gz XRBFVVKDATUYHW-UHFFFAOYSA-N 2 2 234.343 2.043 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccsc1 ZINC000313289927 256546545 /nfs/dbraw/zinc/54/65/45/256546545.db2.gz DQHBTWDSZPPBPE-SNVBAGLBSA-N 2 2 235.356 2.375 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1 ZINC000313282407 256546602 /nfs/dbraw/zinc/54/66/02/256546602.db2.gz NEHJYGNKVGKIGU-LLVKDONJSA-N 2 2 247.317 2.453 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000449499270 388219931 /nfs/dbraw/zinc/21/99/31/388219931.db2.gz TWZCSUOICARAEW-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000449499270 388219934 /nfs/dbraw/zinc/21/99/34/388219934.db2.gz TWZCSUOICARAEW-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@H](C)O ZINC000449540144 388226957 /nfs/dbraw/zinc/22/69/57/388226957.db2.gz IZFUQNCCODFMPV-GXTWGEPZSA-N 2 2 236.359 2.072 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H](C)C1)C1CC1 ZINC000164483030 388238990 /nfs/dbraw/zinc/23/89/90/388238990.db2.gz YJHFXGCMJALXLJ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H](C)C1)C1CC1 ZINC000164483030 388238993 /nfs/dbraw/zinc/23/89/93/388238993.db2.gz YJHFXGCMJALXLJ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2COCC2(C)C)c[nH+]1 ZINC000449624384 388245274 /nfs/dbraw/zinc/24/52/74/388245274.db2.gz OGLSEQHZLIONFV-AWEZNQCLSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)[NH+](C)C ZINC000235578354 388371830 /nfs/dbraw/zinc/37/18/30/388371830.db2.gz DUPUWMYQNDOULN-SDDRHHMPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)c(C)cc1C ZINC000300802053 388396333 /nfs/dbraw/zinc/39/63/33/388396333.db2.gz JGIZOOKFZNOWQJ-UHFFFAOYSA-N 2 2 220.360 2.392 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C[C@]1(C)CCCS1 ZINC000328040462 388399227 /nfs/dbraw/zinc/39/92/27/388399227.db2.gz NQBDCIAOTNAJDZ-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C[C@]1(C)CCCS1 ZINC000328040462 388399229 /nfs/dbraw/zinc/39/92/29/388399229.db2.gz NQBDCIAOTNAJDZ-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP CCC[C@H]([NH2+]CC[N@H+](C)CCOC)C1CCC1 ZINC000322720779 388444712 /nfs/dbraw/zinc/44/47/12/388444712.db2.gz SXPQLPZPQPGORU-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@H]([NH2+]CC[N@@H+](C)CCOC)C1CCC1 ZINC000322720779 388444714 /nfs/dbraw/zinc/44/47/14/388444714.db2.gz SXPQLPZPQPGORU-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCCCCF ZINC000308634669 388446401 /nfs/dbraw/zinc/44/64/01/388446401.db2.gz FIGMULNSWAHOQX-UHFFFAOYSA-N 2 2 204.333 2.056 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)s1 ZINC000335354941 388449955 /nfs/dbraw/zinc/44/99/55/388449955.db2.gz FBOMCOGRGQHBHH-JQWIXIFHSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000335298343 388450311 /nfs/dbraw/zinc/45/03/11/388450311.db2.gz JAPCYDAEHZJLEI-CABCVRRESA-N 2 2 230.355 2.097 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000335298343 388450313 /nfs/dbraw/zinc/45/03/13/388450313.db2.gz JAPCYDAEHZJLEI-CABCVRRESA-N 2 2 230.355 2.097 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335641678 388452319 /nfs/dbraw/zinc/45/23/19/388452319.db2.gz CVLVZRKAYMDAKE-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336654499 388458782 /nfs/dbraw/zinc/45/87/82/388458782.db2.gz GTEHBCUEVRLZLR-AAEUAGOBSA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336654499 388458784 /nfs/dbraw/zinc/45/87/84/388458784.db2.gz GTEHBCUEVRLZLR-AAEUAGOBSA-N 2 2 240.416 2.098 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[N@H+](C)C1CC1 ZINC000336697835 388464714 /nfs/dbraw/zinc/46/47/14/388464714.db2.gz OKBNICWGXJKDRM-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[N@@H+](C)C1CC1 ZINC000336697835 388464716 /nfs/dbraw/zinc/46/47/16/388464716.db2.gz OKBNICWGXJKDRM-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000328535084 388418219 /nfs/dbraw/zinc/41/82/19/388418219.db2.gz ZWTIYYDVCQIWCA-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000328535084 388418221 /nfs/dbraw/zinc/41/82/21/388418221.db2.gz ZWTIYYDVCQIWCA-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP Cc1ccc(NC(=O)CCCC[NH+](C)C)c(C)[nH+]1 ZINC000573171134 388427181 /nfs/dbraw/zinc/42/71/81/388427181.db2.gz KXEVCJMCDYTZDR-UHFFFAOYSA-N 2 2 249.358 2.369 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322368511 388433362 /nfs/dbraw/zinc/43/33/62/388433362.db2.gz ISSVEFGBRIFQBN-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000322368511 388433363 /nfs/dbraw/zinc/43/33/63/388433363.db2.gz ISSVEFGBRIFQBN-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP C/C(Cl)=C/C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528512142 388538390 /nfs/dbraw/zinc/53/83/90/388538390.db2.gz ILNPOQZHKWCRJZ-LCKPPEIMSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C/C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000528512142 388538392 /nfs/dbraw/zinc/53/83/92/388538392.db2.gz ILNPOQZHKWCRJZ-LCKPPEIMSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C/C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000528512142 388538394 /nfs/dbraw/zinc/53/83/94/388538394.db2.gz ILNPOQZHKWCRJZ-LCKPPEIMSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000528512142 388538397 /nfs/dbraw/zinc/53/83/97/388538397.db2.gz ILNPOQZHKWCRJZ-LCKPPEIMSA-N 2 2 228.767 2.157 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2=CCCCC2)n1C ZINC000517177068 388540798 /nfs/dbraw/zinc/54/07/98/388540798.db2.gz LIFYKFQFIHLZLL-UHFFFAOYSA-N 2 2 219.332 2.319 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CC1(C)C ZINC000397690147 388490340 /nfs/dbraw/zinc/49/03/40/388490340.db2.gz WZLDOVNIANIWDM-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CC1(C)C ZINC000397690149 388490405 /nfs/dbraw/zinc/49/04/05/388490405.db2.gz WZLDOVNIANIWDM-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000397766801 388497147 /nfs/dbraw/zinc/49/71/47/388497147.db2.gz KCJHRBBKLZNOOL-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)[C@H]1C ZINC000397793138 388499526 /nfs/dbraw/zinc/49/95/26/388499526.db2.gz SKINEQUNTVUQKZ-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000397794369 388499813 /nfs/dbraw/zinc/49/98/13/388499813.db2.gz BANJCQABDSOXBH-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCCC1 ZINC000397874512 388508445 /nfs/dbraw/zinc/50/84/45/388508445.db2.gz VCNDIVOSXHPLLK-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC000397872382 388508474 /nfs/dbraw/zinc/50/84/74/388508474.db2.gz GGTRXKHFZQDDLE-RMKNXTFCSA-N 2 2 230.355 2.384 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000398066161 388516666 /nfs/dbraw/zinc/51/66/66/388516666.db2.gz NUWKFZKFGAXUJH-NHYWBVRUSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000564342694 388517662 /nfs/dbraw/zinc/51/76/62/388517662.db2.gz GZYJOZVYHQOZGV-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000564342694 388517664 /nfs/dbraw/zinc/51/76/64/388517664.db2.gz GZYJOZVYHQOZGV-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000347093873 388521873 /nfs/dbraw/zinc/52/18/73/388521873.db2.gz GUNRJOGVBPZPEL-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000347093873 388521875 /nfs/dbraw/zinc/52/18/75/388521875.db2.gz GUNRJOGVBPZPEL-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)[NH+](C)C ZINC000081636826 388587791 /nfs/dbraw/zinc/58/77/91/388587791.db2.gz AKUZKVMUHNULSH-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]ccn1CCCn1cc[nH+]c1C1CC1 ZINC000530130466 388614984 /nfs/dbraw/zinc/61/49/84/388614984.db2.gz WIPYMXJDQNDFHB-UHFFFAOYSA-N 2 2 230.315 2.356 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000184258488 388576218 /nfs/dbraw/zinc/57/62/18/388576218.db2.gz HMYMJMLJVHLKGJ-ZDUSSCGKSA-N 2 2 233.359 2.136 20 0 BEADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C ZINC000125639359 388673168 /nfs/dbraw/zinc/67/31/68/388673168.db2.gz KZHQPCWENCANPN-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248054371 388673497 /nfs/dbraw/zinc/67/34/97/388673497.db2.gz WXODSHQMYZQOQQ-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248054371 388673498 /nfs/dbraw/zinc/67/34/98/388673498.db2.gz WXODSHQMYZQOQQ-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000125638692 388673647 /nfs/dbraw/zinc/67/36/47/388673647.db2.gz KZHQPCWENCANPN-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(C(C)C)CC2)n1C ZINC000522015657 388674673 /nfs/dbraw/zinc/67/46/73/388674673.db2.gz YTYFVIUHEOUYAW-UHFFFAOYSA-N 2 2 221.348 2.254 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000530218817 388631425 /nfs/dbraw/zinc/63/14/25/388631425.db2.gz JUNPJQBBOKYGBZ-WCQYABFASA-N 2 2 231.343 2.017 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2ncccc2Cl)CC1 ZINC000530219839 388631805 /nfs/dbraw/zinc/63/18/05/388631805.db2.gz REUUOUYEQYXIGO-UHFFFAOYSA-N 2 2 239.750 2.048 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530225184 388635215 /nfs/dbraw/zinc/63/52/15/388635215.db2.gz WWCLKIBHKVCMJE-TZMCWYRMSA-N 2 2 245.370 2.325 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249410950 388721122 /nfs/dbraw/zinc/72/11/22/388721122.db2.gz XYVGJFMJDSKPMR-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249410950 388721123 /nfs/dbraw/zinc/72/11/23/388721123.db2.gz XYVGJFMJDSKPMR-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000322207090 388796982 /nfs/dbraw/zinc/79/69/82/388796982.db2.gz SNGQIXXUINETIA-UZWSLXQKSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000322207090 388796985 /nfs/dbraw/zinc/79/69/85/388796985.db2.gz SNGQIXXUINETIA-UZWSLXQKSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000540181708 388798548 /nfs/dbraw/zinc/79/85/48/388798548.db2.gz RMLZBNGNYNZTCS-WKPIXPDZSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000540181708 388798550 /nfs/dbraw/zinc/79/85/50/388798550.db2.gz RMLZBNGNYNZTCS-WKPIXPDZSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000229299395 388785876 /nfs/dbraw/zinc/78/58/76/388785876.db2.gz GABRGOVYFONDMY-WOPDTQHZSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000229299395 388785879 /nfs/dbraw/zinc/78/58/79/388785879.db2.gz GABRGOVYFONDMY-WOPDTQHZSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000129577604 388853396 /nfs/dbraw/zinc/85/33/96/388853396.db2.gz NWJLUZPOQNNUMA-AVGNSLFASA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000129577604 388853398 /nfs/dbraw/zinc/85/33/98/388853398.db2.gz NWJLUZPOQNNUMA-AVGNSLFASA-N 2 2 233.359 2.215 20 0 BEADLP CCn1cc[nH+]c1CNc1cc2c(c[nH+]1)CCC2 ZINC000555636891 388858215 /nfs/dbraw/zinc/85/82/15/388858215.db2.gz CSMRHFFJJONHGB-UHFFFAOYSA-N 2 2 242.326 2.399 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000129771236 388869230 /nfs/dbraw/zinc/86/92/30/388869230.db2.gz QVTGLSWULLTEFU-SDDRHHMPSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000129771236 388869233 /nfs/dbraw/zinc/86/92/33/388869233.db2.gz QVTGLSWULLTEFU-SDDRHHMPSA-N 2 2 222.332 2.413 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(C)(F)F)C1 ZINC000565157700 388918769 /nfs/dbraw/zinc/91/87/69/388918769.db2.gz PBGWRHNQAVLQPW-JTQLQIEISA-N 2 2 243.301 2.255 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(C)(F)F)C1 ZINC000565157700 388918767 /nfs/dbraw/zinc/91/87/67/388918767.db2.gz PBGWRHNQAVLQPW-JTQLQIEISA-N 2 2 243.301 2.255 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000565710442 388965172 /nfs/dbraw/zinc/96/51/72/388965172.db2.gz OEPAZMQCYMEWSU-LBPRGKRZSA-N 2 2 224.735 2.136 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000566088785 388986454 /nfs/dbraw/zinc/98/64/54/388986454.db2.gz MKBUHEQOGAUGJG-RKDXNWHRSA-N 2 2 238.297 2.163 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000566088784 388986918 /nfs/dbraw/zinc/98/69/18/388986918.db2.gz MKBUHEQOGAUGJG-IUCAKERBSA-N 2 2 238.297 2.163 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(C)C ZINC000487266386 533548008 /nfs/dbraw/zinc/54/80/08/533548008.db2.gz CERZWUZIVZXLGR-RFHZTLPTSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(C)C ZINC000487266386 533548009 /nfs/dbraw/zinc/54/80/09/533548009.db2.gz CERZWUZIVZXLGR-RFHZTLPTSA-N 2 2 236.403 2.493 20 0 BEADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975293 132207017 /nfs/dbraw/zinc/20/70/17/132207017.db2.gz GDIJQVDWRDKPDC-STQMWFEESA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975293 132207018 /nfs/dbraw/zinc/20/70/18/132207018.db2.gz GDIJQVDWRDKPDC-STQMWFEESA-N 2 2 231.343 2.002 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124897404 132228386 /nfs/dbraw/zinc/22/83/86/132228386.db2.gz PTIGLVRZJJSXEW-STQMWFEESA-N 2 2 245.370 2.296 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000334289514 132296132 /nfs/dbraw/zinc/29/61/32/132296132.db2.gz BDSQTSGTZVVCKD-GXTWGEPZSA-N 2 2 245.370 2.439 20 0 BEADLP CC(C)c1cc(N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000045950735 132299232 /nfs/dbraw/zinc/29/92/32/132299232.db2.gz XVOIHRQWRAQXTP-UHFFFAOYSA-N 2 2 248.374 2.133 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccco2)CC1 ZINC000336193697 134124826 /nfs/dbraw/zinc/12/48/26/134124826.db2.gz SEYLVRAOIHUDEY-GFCCVEGCSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccco2)CC1 ZINC000336193697 134124827 /nfs/dbraw/zinc/12/48/27/134124827.db2.gz SEYLVRAOIHUDEY-GFCCVEGCSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)s1 ZINC000169222285 134250312 /nfs/dbraw/zinc/25/03/12/134250312.db2.gz UPKPGKHEMJQZGM-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)s1 ZINC000169222285 134250313 /nfs/dbraw/zinc/25/03/13/134250313.db2.gz UPKPGKHEMJQZGM-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219814388 134292383 /nfs/dbraw/zinc/29/23/83/134292383.db2.gz BNCPDMPMUQDCFO-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219814388 134292384 /nfs/dbraw/zinc/29/23/84/134292384.db2.gz BNCPDMPMUQDCFO-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000178042583 134302733 /nfs/dbraw/zinc/30/27/33/134302733.db2.gz FNYCEEVFQSIRSW-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000178081017 134302969 /nfs/dbraw/zinc/30/29/69/134302969.db2.gz ABIZOZGJBGJGPT-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000178081017 134302970 /nfs/dbraw/zinc/30/29/70/134302970.db2.gz ABIZOZGJBGJGPT-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220677328 134311653 /nfs/dbraw/zinc/31/16/53/134311653.db2.gz VNKPUXKAJDSMJM-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220677328 134311654 /nfs/dbraw/zinc/31/16/54/134311654.db2.gz VNKPUXKAJDSMJM-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1COc2ccccc21 ZINC000179006173 134314135 /nfs/dbraw/zinc/31/41/35/134314135.db2.gz UFBCKMCCEKIMKY-MFKMUULPSA-N 2 2 243.310 2.064 20 0 BEADLP c1coc(C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000179414585 134317619 /nfs/dbraw/zinc/31/76/19/134317619.db2.gz NNPZJPWRBCZPMK-UHFFFAOYSA-N 2 2 227.267 2.217 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000221672655 134325833 /nfs/dbraw/zinc/32/58/33/134325833.db2.gz WYGKEEZNOASXOF-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C1CC([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000232539470 134553693 /nfs/dbraw/zinc/55/36/93/134553693.db2.gz NVZONDZESQIJDG-PNESKVBLSA-N 2 2 221.348 2.296 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]21 ZINC000248438054 135009621 /nfs/dbraw/zinc/00/96/21/135009621.db2.gz SVGLFKIKEKXMTQ-HZSPNIEDSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]21 ZINC000248438054 135009622 /nfs/dbraw/zinc/00/96/22/135009622.db2.gz SVGLFKIKEKXMTQ-HZSPNIEDSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000248438055 135009969 /nfs/dbraw/zinc/00/99/69/135009969.db2.gz SVGLFKIKEKXMTQ-MGPQQGTHSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000248438055 135009970 /nfs/dbraw/zinc/00/99/70/135009970.db2.gz SVGLFKIKEKXMTQ-MGPQQGTHSA-N 2 2 233.359 2.394 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ccoc1C ZINC000163620884 135021073 /nfs/dbraw/zinc/02/10/73/135021073.db2.gz NVJPFEIUHDWXSV-UHFFFAOYSA-N 2 2 224.348 2.410 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000251890020 135079931 /nfs/dbraw/zinc/07/99/31/135079931.db2.gz VXTQNLGSRSFKRJ-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333549 135081581 /nfs/dbraw/zinc/08/15/81/135081581.db2.gz HYZKECQTNFYULD-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086333549 135081584 /nfs/dbraw/zinc/08/15/84/135081584.db2.gz HYZKECQTNFYULD-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000252088465 135082952 /nfs/dbraw/zinc/08/29/52/135082952.db2.gz GVBPGJOLYWIRMD-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)[C@H]1C ZINC000252172498 135086105 /nfs/dbraw/zinc/08/61/05/135086105.db2.gz OGAHWHAYQTXYKC-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1csc(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)n1 ZINC000086495764 135087537 /nfs/dbraw/zinc/08/75/37/135087537.db2.gz PAKWKENKWHGEBD-MWLCHTKSSA-N 2 2 239.388 2.072 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2ccsc2)[C@H]1C[NH3+] ZINC000252221320 135087530 /nfs/dbraw/zinc/08/75/30/135087530.db2.gz ZCHDXDAIDQQHTQ-PWSUYJOCSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2ccsc2)[C@H]1C[NH3+] ZINC000252221320 135087531 /nfs/dbraw/zinc/08/75/31/135087531.db2.gz ZCHDXDAIDQQHTQ-PWSUYJOCSA-N 2 2 224.373 2.307 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000086855841 135098705 /nfs/dbraw/zinc/09/87/05/135098705.db2.gz YDJVIMPWBOTWHY-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931050 135103300 /nfs/dbraw/zinc/10/33/00/135103300.db2.gz USTBBZAKRNRBHF-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@H](C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931050 135103302 /nfs/dbraw/zinc/10/33/02/135103302.db2.gz USTBBZAKRNRBHF-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@H](C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086931050 135103303 /nfs/dbraw/zinc/10/33/03/135103303.db2.gz USTBBZAKRNRBHF-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@H](C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000086931050 135103305 /nfs/dbraw/zinc/10/33/05/135103305.db2.gz USTBBZAKRNRBHF-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cnc2ccccc2c1 ZINC000261537231 135109151 /nfs/dbraw/zinc/10/91/51/135109151.db2.gz DDSPOOCLOOSZQX-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000261537231 135109152 /nfs/dbraw/zinc/10/91/52/135109152.db2.gz DDSPOOCLOOSZQX-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252798720 135110539 /nfs/dbraw/zinc/11/05/39/135110539.db2.gz PEYXXZNCRIEZQI-SNPRPXQTSA-N 2 2 232.371 2.330 20 0 BEADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000259037488 135136814 /nfs/dbraw/zinc/13/68/14/135136814.db2.gz PCFOJNJPBRZDKM-AWEZNQCLSA-N 2 2 232.371 2.436 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000260103547 135147222 /nfs/dbraw/zinc/14/72/22/135147222.db2.gz OLPNILGAGWUVJE-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000260103547 135147220 /nfs/dbraw/zinc/14/72/20/135147220.db2.gz OLPNILGAGWUVJE-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000261527612 135152278 /nfs/dbraw/zinc/15/22/78/135152278.db2.gz DKCWAALLEKEUSV-RQJHMYQMSA-N 2 2 218.753 2.227 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1Cl ZINC000261532347 135162917 /nfs/dbraw/zinc/16/29/17/135162917.db2.gz AHDGKWWPWPJJQT-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1Cl ZINC000261532347 135162919 /nfs/dbraw/zinc/16/29/19/135162919.db2.gz AHDGKWWPWPJJQT-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H](C)[NH3+] ZINC000261536677 135171818 /nfs/dbraw/zinc/17/18/18/135171818.db2.gz SLYLHOBMMRBMEM-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)[NH3+])s1 ZINC000261538624 135176256 /nfs/dbraw/zinc/17/62/56/135176256.db2.gz YTHFVEIEZPMRND-APPZFPTMSA-N 2 2 227.377 2.100 20 0 BEADLP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](C)[NH3+])s1 ZINC000261538624 135176257 /nfs/dbraw/zinc/17/62/57/135176257.db2.gz YTHFVEIEZPMRND-APPZFPTMSA-N 2 2 227.377 2.100 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1[NH3+] ZINC000261539761 135178773 /nfs/dbraw/zinc/17/87/73/135178773.db2.gz BMMLDUQNORJTDE-IAQYHMDHSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1[NH3+] ZINC000261539761 135178774 /nfs/dbraw/zinc/17/87/74/135178774.db2.gz BMMLDUQNORJTDE-IAQYHMDHSA-N 2 2 230.355 2.343 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000261543036 135183957 /nfs/dbraw/zinc/18/39/57/135183957.db2.gz CQKXEDHTPMJZNZ-WOPDTQHZSA-N 2 2 236.359 2.390 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261549368 135188588 /nfs/dbraw/zinc/18/85/88/135188588.db2.gz HVVBEFPZPBVKJE-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261549368 135188590 /nfs/dbraw/zinc/18/85/90/135188590.db2.gz HVVBEFPZPBVKJE-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2cccnc21 ZINC000261553044 135191852 /nfs/dbraw/zinc/19/18/52/135191852.db2.gz AALPSZMJGXCLCL-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000261553044 135191854 /nfs/dbraw/zinc/19/18/54/135191854.db2.gz AALPSZMJGXCLCL-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261553634 135193294 /nfs/dbraw/zinc/19/32/94/135193294.db2.gz AJOMBNPDRSKZPX-IUODEOHRSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261553634 135193296 /nfs/dbraw/zinc/19/32/96/135193296.db2.gz AJOMBNPDRSKZPX-IUODEOHRSA-N 2 2 248.345 2.318 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261558404 135199520 /nfs/dbraw/zinc/19/95/20/135199520.db2.gz SHXRZSDQJYXLIH-BXUZGUMPSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261558404 135199521 /nfs/dbraw/zinc/19/95/21/135199521.db2.gz SHXRZSDQJYXLIH-BXUZGUMPSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000261558469 135199538 /nfs/dbraw/zinc/19/95/38/135199538.db2.gz SMZWXFPXUMSLPZ-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000261558469 135199539 /nfs/dbraw/zinc/19/95/39/135199539.db2.gz SMZWXFPXUMSLPZ-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261558406 135199559 /nfs/dbraw/zinc/19/95/59/135199559.db2.gz SHXRZSDQJYXLIH-RISCZKNCSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261558406 135199560 /nfs/dbraw/zinc/19/95/60/135199560.db2.gz SHXRZSDQJYXLIH-RISCZKNCSA-N 2 2 234.343 2.007 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1C ZINC000261560350 135201074 /nfs/dbraw/zinc/20/10/74/135201074.db2.gz ZTQIGLSREKPOHR-NSHDSACASA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1C ZINC000261560350 135201076 /nfs/dbraw/zinc/20/10/76/135201076.db2.gz ZTQIGLSREKPOHR-NSHDSACASA-N 2 2 206.333 2.082 20 0 BEADLP Fc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261563397 135205117 /nfs/dbraw/zinc/20/51/17/135205117.db2.gz XBCRYJORSRBKLU-GXTWGEPZSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261563397 135205119 /nfs/dbraw/zinc/20/51/19/135205119.db2.gz XBCRYJORSRBKLU-GXTWGEPZSA-N 2 2 234.318 2.010 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261565642 135207663 /nfs/dbraw/zinc/20/76/63/135207663.db2.gz DCAKQNBEYLAIAQ-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261565642 135207664 /nfs/dbraw/zinc/20/76/64/135207664.db2.gz DCAKQNBEYLAIAQ-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000261566175 135208583 /nfs/dbraw/zinc/20/85/83/135208583.db2.gz YSHLUTDYJQVMQJ-ZWNOBZJWSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2o1 ZINC000261566175 135208585 /nfs/dbraw/zinc/20/85/85/135208585.db2.gz YSHLUTDYJQVMQJ-ZWNOBZJWSA-N 2 2 230.311 2.354 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000261585748 135226811 /nfs/dbraw/zinc/22/68/11/135226811.db2.gz QPAPCVJQQVLTPI-DCAQKATOSA-N 2 2 222.332 2.082 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000261585751 135226960 /nfs/dbraw/zinc/22/69/60/135226960.db2.gz QPAPCVJQQVLTPI-VWYCJHECSA-N 2 2 222.332 2.082 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C/C=C/c1ccccc1 ZINC000261591092 135231657 /nfs/dbraw/zinc/23/16/57/135231657.db2.gz UYPYBGJOPXZSMI-VMIDCOPPSA-N 2 2 216.328 2.121 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C/C=C/c1ccccc1 ZINC000261591092 135231658 /nfs/dbraw/zinc/23/16/58/135231658.db2.gz UYPYBGJOPXZSMI-VMIDCOPPSA-N 2 2 216.328 2.121 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000261592475 135232819 /nfs/dbraw/zinc/23/28/19/135232819.db2.gz YMGGDEYABCDZKY-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000261592475 135232820 /nfs/dbraw/zinc/23/28/20/135232820.db2.gz YMGGDEYABCDZKY-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC[NH3+])C1 ZINC000261599669 135238033 /nfs/dbraw/zinc/23/80/33/135238033.db2.gz ZWJSLRIBJDBDOU-ZWNOBZJWSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[NH3+])C1 ZINC000261599669 135238034 /nfs/dbraw/zinc/23/80/34/135238034.db2.gz ZWJSLRIBJDBDOU-ZWNOBZJWSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@H]1[NH3+] ZINC000261546096 135238246 /nfs/dbraw/zinc/23/82/46/135238246.db2.gz NGXORWXWSCTMFG-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1[NH3+] ZINC000261546096 135238247 /nfs/dbraw/zinc/23/82/47/135238247.db2.gz NGXORWXWSCTMFG-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP Clc1sccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261547984 135240748 /nfs/dbraw/zinc/24/07/48/135240748.db2.gz MYJNHTAQCYUGKC-AOOOYVTPSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1sccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261547984 135240750 /nfs/dbraw/zinc/24/07/50/135240750.db2.gz MYJNHTAQCYUGKC-AOOOYVTPSA-N 2 2 242.775 2.053 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000261753542 135249837 /nfs/dbraw/zinc/24/98/37/135249837.db2.gz CIGWWKSGSYGYBG-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000261753542 135249838 /nfs/dbraw/zinc/24/98/38/135249838.db2.gz CIGWWKSGSYGYBG-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP Cc1nc2ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc2s1 ZINC000261803569 135254652 /nfs/dbraw/zinc/25/46/52/135254652.db2.gz HCHDWPXEZGRNJX-VIFPVBQESA-N 2 2 249.383 2.384 20 0 BEADLP Cc1nc2ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc2s1 ZINC000261803569 135254653 /nfs/dbraw/zinc/25/46/53/135254653.db2.gz HCHDWPXEZGRNJX-VIFPVBQESA-N 2 2 249.383 2.384 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCSCc1ccccc1 ZINC000261942852 135265236 /nfs/dbraw/zinc/26/52/36/135265236.db2.gz MWJGLVDZLCMXIH-GFCCVEGCSA-N 2 2 238.400 2.199 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCSCc1ccccc1 ZINC000261942852 135265238 /nfs/dbraw/zinc/26/52/38/135265238.db2.gz MWJGLVDZLCMXIH-GFCCVEGCSA-N 2 2 238.400 2.199 20 0 BEADLP C[NH2+]CC[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000261992466 135270291 /nfs/dbraw/zinc/27/02/91/135270291.db2.gz SMKZDBRPANLBNE-NSHDSACASA-N 2 2 224.323 2.080 20 0 BEADLP C[NH2+]CC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000261992466 135270293 /nfs/dbraw/zinc/27/02/93/135270293.db2.gz SMKZDBRPANLBNE-NSHDSACASA-N 2 2 224.323 2.080 20 0 BEADLP C[C@H]1COc2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000262018910 135273260 /nfs/dbraw/zinc/27/32/60/135273260.db2.gz VYTCCCFWWLADMV-NSHDSACASA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H]1COc2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000262018910 135273262 /nfs/dbraw/zinc/27/32/62/135273262.db2.gz VYTCCCFWWLADMV-NSHDSACASA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000262065077 135277218 /nfs/dbraw/zinc/27/72/18/135277218.db2.gz JMDGYBIHCSYRHO-WCBMZHEXSA-N 2 2 242.725 2.492 20 0 BEADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000342591451 135293289 /nfs/dbraw/zinc/29/32/89/135293289.db2.gz HITRYMPYFDVQHV-ZDUSSCGKSA-N 2 2 244.423 2.105 20 0 BEADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000342591451 135293291 /nfs/dbraw/zinc/29/32/91/135293291.db2.gz HITRYMPYFDVQHV-ZDUSSCGKSA-N 2 2 244.423 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1F ZINC000334165530 135322576 /nfs/dbraw/zinc/32/25/76/135322576.db2.gz AGFYVSWAFULIMB-FZMZJTMJSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1F ZINC000334165530 135322578 /nfs/dbraw/zinc/32/25/78/135322578.db2.gz AGFYVSWAFULIMB-FZMZJTMJSA-N 2 2 236.334 2.174 20 0 BEADLP C[C@H]1SCC[N@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000262952180 135324946 /nfs/dbraw/zinc/32/49/46/135324946.db2.gz JTWNYDGYAHEMCB-YPMHNXCESA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]1SCC[N@@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000262952180 135324947 /nfs/dbraw/zinc/32/49/47/135324947.db2.gz JTWNYDGYAHEMCB-YPMHNXCESA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343071517 135356579 /nfs/dbraw/zinc/35/65/79/135356579.db2.gz BJEXZVOZMAATBY-IPYPFGDCSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343071517 135356581 /nfs/dbraw/zinc/35/65/81/135356581.db2.gz BJEXZVOZMAATBY-IPYPFGDCSA-N 2 2 232.371 2.330 20 0 BEADLP CCCCOCCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000343112906 135357591 /nfs/dbraw/zinc/35/75/91/135357591.db2.gz WLFQPXHPKNKTJQ-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCCCOCCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343112906 135357592 /nfs/dbraw/zinc/35/75/92/135357592.db2.gz WLFQPXHPKNKTJQ-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343141621 135360795 /nfs/dbraw/zinc/36/07/95/135360795.db2.gz LPPLTXHYESUACX-CYBMUJFWSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343141621 135360797 /nfs/dbraw/zinc/36/07/97/135360797.db2.gz LPPLTXHYESUACX-CYBMUJFWSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1ccccc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299918592 135381657 /nfs/dbraw/zinc/38/16/57/135381657.db2.gz KEEGYVOOZMIQIF-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299918592 135381659 /nfs/dbraw/zinc/38/16/59/135381659.db2.gz KEEGYVOOZMIQIF-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1C ZINC000299920059 135382550 /nfs/dbraw/zinc/38/25/50/135382550.db2.gz NNLFOHTXTYFYDB-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1C ZINC000299920059 135382551 /nfs/dbraw/zinc/38/25/51/135382551.db2.gz NNLFOHTXTYFYDB-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000334402550 135390882 /nfs/dbraw/zinc/39/08/82/135390882.db2.gz ZQUBYVPJKRPBRY-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000334402550 135390883 /nfs/dbraw/zinc/39/08/83/135390883.db2.gz ZQUBYVPJKRPBRY-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000334402555 135391010 /nfs/dbraw/zinc/39/10/10/135391010.db2.gz ZQUBYVPJKRPBRY-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000334402555 135391012 /nfs/dbraw/zinc/39/10/12/135391012.db2.gz ZQUBYVPJKRPBRY-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000335283321 136001228 /nfs/dbraw/zinc/00/12/28/136001228.db2.gz XMDOUNWAOGAXBN-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000335283321 136001229 /nfs/dbraw/zinc/00/12/29/136001229.db2.gz XMDOUNWAOGAXBN-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CCSCC1 ZINC000347660016 136002458 /nfs/dbraw/zinc/00/24/58/136002458.db2.gz ZZXYUFOTLCQRPG-UHFFFAOYSA-N 2 2 236.384 2.371 20 0 BEADLP CC[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000347738918 136004970 /nfs/dbraw/zinc/00/49/70/136004970.db2.gz WZBJNCCLHZSNMP-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP CC[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000347738918 136004971 /nfs/dbraw/zinc/00/49/71/136004971.db2.gz WZBJNCCLHZSNMP-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP CCC(=O)CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000347744625 136011056 /nfs/dbraw/zinc/01/10/56/136011056.db2.gz GWUJFCGBANDOFH-UHFFFAOYSA-N 2 2 240.391 2.208 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(C)CCOC1 ZINC000347998453 136023721 /nfs/dbraw/zinc/02/37/21/136023721.db2.gz HTGKHXKVTCHLSW-OAHLLOKOSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311677 136029887 /nfs/dbraw/zinc/02/98/87/136029887.db2.gz MXTDUHIUEMYIQK-BXUZGUMPSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311677 136029888 /nfs/dbraw/zinc/02/98/88/136029888.db2.gz MXTDUHIUEMYIQK-BXUZGUMPSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348086565 136034809 /nfs/dbraw/zinc/03/48/09/136034809.db2.gz PWJOFWVDNJNBMT-KJEVXHAQSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348086565 136034810 /nfs/dbraw/zinc/03/48/10/136034810.db2.gz PWJOFWVDNJNBMT-KJEVXHAQSA-N 2 2 234.387 2.247 20 0 BEADLP CC[C@@H](O)CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348094528 136035764 /nfs/dbraw/zinc/03/57/64/136035764.db2.gz GQKNEGWRZFOICZ-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152312 136040400 /nfs/dbraw/zinc/04/04/00/136040400.db2.gz CGJOCRSQKPRJAJ-OCCSQVGLSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152312 136040401 /nfs/dbraw/zinc/04/04/01/136040401.db2.gz CGJOCRSQKPRJAJ-OCCSQVGLSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152312 136040402 /nfs/dbraw/zinc/04/04/02/136040402.db2.gz CGJOCRSQKPRJAJ-OCCSQVGLSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152312 136040403 /nfs/dbraw/zinc/04/04/03/136040403.db2.gz CGJOCRSQKPRJAJ-OCCSQVGLSA-N 2 2 248.374 2.031 20 0 BEADLP CC[C@@]1(O)CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348195795 136051051 /nfs/dbraw/zinc/05/10/51/136051051.db2.gz YXFZRDAIDGGGTB-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@@]1(O)CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348195795 136051052 /nfs/dbraw/zinc/05/10/52/136051052.db2.gz YXFZRDAIDGGGTB-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000348256642 136057967 /nfs/dbraw/zinc/05/79/67/136057967.db2.gz WTSJGCOBGQLSGY-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000348256642 136057968 /nfs/dbraw/zinc/05/79/68/136057968.db2.gz WTSJGCOBGQLSGY-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP CCC1(CC)[C@H]([NH2+][C@H](C)C[NH+](C)C)C[C@@H]1OC ZINC000348275137 136059372 /nfs/dbraw/zinc/05/93/72/136059372.db2.gz CBWGNQRLXXUGFH-UPJWGTAASA-N 2 2 242.407 2.120 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](C)C)c1cccc(OC)c1 ZINC000348329815 136067606 /nfs/dbraw/zinc/06/76/06/136067606.db2.gz RRMCCYPJELKLSJ-AWEZNQCLSA-N 2 2 236.359 2.298 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000335359273 136075308 /nfs/dbraw/zinc/07/53/08/136075308.db2.gz XBJXOTQPNIIXQC-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1C[C@H]1c1ccccc1 ZINC000348335501 136075813 /nfs/dbraw/zinc/07/58/13/136075813.db2.gz QTXFYYHMXCKVJL-CFVMTHIKSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1C1CC1 ZINC000335375198 136085279 /nfs/dbraw/zinc/08/52/79/136085279.db2.gz XISHNVZQZXJEAY-QKIYJJFGSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1C1CC1 ZINC000335375198 136085280 /nfs/dbraw/zinc/08/52/80/136085280.db2.gz XISHNVZQZXJEAY-QKIYJJFGSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@H]1C)[NH+](C)C ZINC000449555265 397956191 /nfs/dbraw/zinc/95/61/91/397956191.db2.gz GVBPGJOLYWIRMD-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538491 397918375 /nfs/dbraw/zinc/91/83/75/397918375.db2.gz LLDSJXKBTPSRON-NNYUYHANSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537859 397919229 /nfs/dbraw/zinc/91/92/29/397919229.db2.gz SJGSOMOHQRPWRD-BJDJZHNGSA-N 2 2 228.355 2.101 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000382204929 397921628 /nfs/dbraw/zinc/92/16/28/397921628.db2.gz JZITVAAEBWDOHB-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000382204929 397921630 /nfs/dbraw/zinc/92/16/30/397921630.db2.gz JZITVAAEBWDOHB-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)o1 ZINC000291704656 397993343 /nfs/dbraw/zinc/99/33/43/397993343.db2.gz KNAHUBSAWLEJJN-NSHDSACASA-N 2 2 224.348 2.129 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000649616947 397999514 /nfs/dbraw/zinc/99/95/14/397999514.db2.gz UVZOFQQIJZVRQM-GRYCIOLGSA-N 2 2 244.329 2.058 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000649616947 397999515 /nfs/dbraw/zinc/99/95/15/397999515.db2.gz UVZOFQQIJZVRQM-GRYCIOLGSA-N 2 2 244.329 2.058 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000649616947 397999516 /nfs/dbraw/zinc/99/95/16/397999516.db2.gz UVZOFQQIJZVRQM-GRYCIOLGSA-N 2 2 244.329 2.058 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000649616947 397999517 /nfs/dbraw/zinc/99/95/17/397999517.db2.gz UVZOFQQIJZVRQM-GRYCIOLGSA-N 2 2 244.329 2.058 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414823250 398047310 /nfs/dbraw/zinc/04/73/10/398047310.db2.gz HRIUCGFEUBNICZ-UHFFFAOYSA-N 2 2 246.276 2.323 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]C[C@@H]2CCC[N@H+]2C)cn1 ZINC000649585754 397974606 /nfs/dbraw/zinc/97/46/06/397974606.db2.gz FLKXSHMLFMLXOG-AWEZNQCLSA-N 2 2 247.386 2.309 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000649585754 397974611 /nfs/dbraw/zinc/97/46/11/397974611.db2.gz FLKXSHMLFMLXOG-AWEZNQCLSA-N 2 2 247.386 2.309 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)[C@@H](C)CO1 ZINC000649735590 398076488 /nfs/dbraw/zinc/07/64/88/398076488.db2.gz NIXCWSYIPYWEEO-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)[C@@H](C)CO1 ZINC000649735590 398076489 /nfs/dbraw/zinc/07/64/89/398076489.db2.gz NIXCWSYIPYWEEO-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000414829413 398051002 /nfs/dbraw/zinc/05/10/02/398051002.db2.gz AQCNTCKVZDJKOY-SNVBAGLBSA-N 2 2 241.404 2.212 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000292817671 398109523 /nfs/dbraw/zinc/10/95/23/398109523.db2.gz PNFWFEZONLYLLI-ZFWWWQNUSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000292817671 398109525 /nfs/dbraw/zinc/10/95/25/398109525.db2.gz PNFWFEZONLYLLI-ZFWWWQNUSA-N 2 2 248.370 2.168 20 0 BEADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062016765 398110262 /nfs/dbraw/zinc/11/02/62/398110262.db2.gz DSXACKMKJZDHLI-NSHDSACASA-N 2 2 224.323 2.428 20 0 BEADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062016765 398110265 /nfs/dbraw/zinc/11/02/65/398110265.db2.gz DSXACKMKJZDHLI-NSHDSACASA-N 2 2 224.323 2.428 20 0 BEADLP CC(C)CCOCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000111679709 398115033 /nfs/dbraw/zinc/11/50/33/398115033.db2.gz PKLIUICBXOBXRA-KGLIPLIRSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000111679709 398115035 /nfs/dbraw/zinc/11/50/35/398115035.db2.gz PKLIUICBXOBXRA-KGLIPLIRSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccoc1 ZINC000087290051 322877315 /nfs/dbraw/zinc/87/73/15/322877315.db2.gz ATDUNSNORLRWEX-GHMZBOCLSA-N 2 2 210.321 2.270 20 0 BEADLP c1csc(C[NH2+]CCCNc2cccc[nH+]2)n1 ZINC001650647439 1172885346 /nfs/dbraw/zinc/88/53/46/1172885346.db2.gz KZAQIMDAYNGDLH-UHFFFAOYSA-N 2 2 248.355 2.130 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662161 487572008 /nfs/dbraw/zinc/57/20/08/487572008.db2.gz PMIMWSZOAGUGAU-ZYHUDNBSSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662161 487572015 /nfs/dbraw/zinc/57/20/15/487572015.db2.gz PMIMWSZOAGUGAU-ZYHUDNBSSA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000393410576 487575125 /nfs/dbraw/zinc/57/51/25/487575125.db2.gz DRCGNHXMUPJQKP-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000393410576 487575130 /nfs/dbraw/zinc/57/51/30/487575130.db2.gz DRCGNHXMUPJQKP-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCSc1ccc(F)cc1 ZINC000383001196 487575661 /nfs/dbraw/zinc/57/56/61/487575661.db2.gz SPSZYNJKSVRMIN-JTQLQIEISA-N 2 2 242.363 2.197 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCSc1ccc(F)cc1 ZINC000383001196 487575665 /nfs/dbraw/zinc/57/56/65/487575665.db2.gz SPSZYNJKSVRMIN-JTQLQIEISA-N 2 2 242.363 2.197 20 0 BEADLP CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128266062 167222619 /nfs/dbraw/zinc/22/26/19/167222619.db2.gz WHQJCOFYXBPDEE-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128266062 167222622 /nfs/dbraw/zinc/22/26/22/167222622.db2.gz WHQJCOFYXBPDEE-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000086935732 487586136 /nfs/dbraw/zinc/58/61/36/487586136.db2.gz FRFCIBWCDQDNHJ-VXGBXAGGSA-N 2 2 239.388 2.147 20 0 BEADLP CC1(C[NH2+]CC[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001651668079 1172974304 /nfs/dbraw/zinc/97/43/04/1172974304.db2.gz ULVCSCXAGYPYLS-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C[NH2+]CC[N@H+]2CCC(C)(C)C2)CCC1 ZINC001651668079 1172974309 /nfs/dbraw/zinc/97/43/09/1172974309.db2.gz ULVCSCXAGYPYLS-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP Cn1c[nH+]cc1C[NH+]1CCc2ccccc2CC1 ZINC000530962941 487600750 /nfs/dbraw/zinc/60/07/50/487600750.db2.gz DBAJWHZJISCVAR-UHFFFAOYSA-N 2 2 241.338 2.021 20 0 BEADLP CC1(C)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667533279 487614453 /nfs/dbraw/zinc/61/44/53/487614453.db2.gz MPERZGOWWRLWGG-UHFFFAOYSA-N 2 2 233.359 2.451 20 0 BEADLP CC1(C)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667533279 487614459 /nfs/dbraw/zinc/61/44/59/487614459.db2.gz MPERZGOWWRLWGG-UHFFFAOYSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703487 410333137 /nfs/dbraw/zinc/33/31/37/410333137.db2.gz BRCLDYCEZNQKHY-WBMJQRKESA-N 2 2 244.382 2.263 20 0 BEADLP CCc1nc(NC[C@@H]2CC[C@H](C)[N@@H+]2C)cc(C)[nH+]1 ZINC000663857482 410360270 /nfs/dbraw/zinc/36/02/70/410360270.db2.gz IODKDSILRWWGFF-RYUDHWBXSA-N 2 2 248.374 2.242 20 0 BEADLP CCc1nc(NC[C@@H]2CC[C@H](C)[N@H+]2C)cc(C)[nH+]1 ZINC000663857482 410360278 /nfs/dbraw/zinc/36/02/78/410360278.db2.gz IODKDSILRWWGFF-RYUDHWBXSA-N 2 2 248.374 2.242 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000075183346 487616400 /nfs/dbraw/zinc/61/64/00/487616400.db2.gz FTOIAUSLRAPVNQ-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000075183346 487616406 /nfs/dbraw/zinc/61/64/06/487616406.db2.gz FTOIAUSLRAPVNQ-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000393260269 410671157 /nfs/dbraw/zinc/67/11/57/410671157.db2.gz BVPAIKNWAZAYJJ-ZDUSSCGKSA-N 2 2 242.432 2.204 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000393260269 410671164 /nfs/dbraw/zinc/67/11/64/410671164.db2.gz BVPAIKNWAZAYJJ-ZDUSSCGKSA-N 2 2 242.432 2.204 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000665296638 410815241 /nfs/dbraw/zinc/81/52/41/410815241.db2.gz VTCUDTPBMZISQB-SCZZXKLOSA-N 2 2 210.321 2.155 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000665294120 410782847 /nfs/dbraw/zinc/78/28/47/410782847.db2.gz IMTPKTVETHSHMT-VHSXEESVSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000665294118 410782956 /nfs/dbraw/zinc/78/29/56/410782956.db2.gz IMTPKTVETHSHMT-NXEZZACHSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000665296798 410817208 /nfs/dbraw/zinc/81/72/08/410817208.db2.gz XXQLODRRRQWIAZ-JSGCOSHPSA-N 2 2 248.370 2.406 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000665295566 410791945 /nfs/dbraw/zinc/79/19/45/410791945.db2.gz GCGBHUBOEQLIAQ-YGRLFVJLSA-N 2 2 236.334 2.474 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000665295345 410795207 /nfs/dbraw/zinc/79/52/07/410795207.db2.gz CGELASQHDUFHCI-SCZZXKLOSA-N 2 2 239.388 2.026 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000665296151 410805747 /nfs/dbraw/zinc/80/57/47/410805747.db2.gz NNQJHJSHGKZRGS-JSGCOSHPSA-N 2 2 248.370 2.406 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000665296800 410816681 /nfs/dbraw/zinc/81/66/81/410816681.db2.gz XXQLODRRRQWIAZ-TZMCWYRMSA-N 2 2 248.370 2.406 20 0 BEADLP CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccnc1 ZINC000665298585 410831624 /nfs/dbraw/zinc/83/16/24/410831624.db2.gz YMWPMKOUBBUJED-DGCLKSJQSA-N 2 2 221.348 2.120 20 0 BEADLP CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccnc1 ZINC000665298586 410832264 /nfs/dbraw/zinc/83/22/64/410832264.db2.gz YMWPMKOUBBUJED-WCQYABFASA-N 2 2 221.348 2.120 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000651198347 410857142 /nfs/dbraw/zinc/85/71/42/410857142.db2.gz ARXXAUVPXBNWPL-ZIAGYGMSSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000651198347 410857146 /nfs/dbraw/zinc/85/71/46/410857146.db2.gz ARXXAUVPXBNWPL-ZIAGYGMSSA-N 2 2 233.359 2.217 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000665297773 410819757 /nfs/dbraw/zinc/81/97/57/410819757.db2.gz LJVPJURXHBQLFF-UHIISALHSA-N 2 2 218.344 2.432 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000651268513 410892083 /nfs/dbraw/zinc/89/20/83/410892083.db2.gz PBJPIGYADMQCMA-GRYCIOLGSA-N 2 2 212.381 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000651268513 410892086 /nfs/dbraw/zinc/89/20/86/410892086.db2.gz PBJPIGYADMQCMA-GRYCIOLGSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000049592535 167005505 /nfs/dbraw/zinc/00/55/05/167005505.db2.gz UXAODFUTNJDUJM-UHFFFAOYSA-N 2 2 220.360 2.364 20 0 BEADLP CC(C)C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000049592535 167005509 /nfs/dbraw/zinc/00/55/09/167005509.db2.gz UXAODFUTNJDUJM-UHFFFAOYSA-N 2 2 220.360 2.364 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596136 167007289 /nfs/dbraw/zinc/00/72/89/167007289.db2.gz APDBNXXPSYPRAS-AWEZNQCLSA-N 2 2 218.344 2.119 20 0 BEADLP CC(C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000125182417 167099725 /nfs/dbraw/zinc/09/97/25/167099725.db2.gz QIQGKURPGMAGJI-UHFFFAOYSA-N 2 2 242.432 2.346 20 0 BEADLP CC(C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000271879061 167100154 /nfs/dbraw/zinc/10/01/54/167100154.db2.gz PBQJWDAJRQCAAK-UHFFFAOYSA-N 2 2 232.371 2.084 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027998 167294537 /nfs/dbraw/zinc/29/45/37/167294537.db2.gz KPYISNAPFQBANW-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027998 167294539 /nfs/dbraw/zinc/29/45/39/167294539.db2.gz KPYISNAPFQBANW-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000040666737 167303877 /nfs/dbraw/zinc/30/38/77/167303877.db2.gz GAYNSATUFLYQLJ-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000040666737 167303881 /nfs/dbraw/zinc/30/38/81/167303881.db2.gz GAYNSATUFLYQLJ-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309321385 167334118 /nfs/dbraw/zinc/33/41/18/167334118.db2.gz FGXSEWRIWNIOMP-YPMHNXCESA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309321385 167334120 /nfs/dbraw/zinc/33/41/20/167334120.db2.gz FGXSEWRIWNIOMP-YPMHNXCESA-N 2 2 242.432 2.200 20 0 BEADLP Cc1cccc(N(C)CC[NH+]2CCCCC2)[nH+]1 ZINC000651478039 411059701 /nfs/dbraw/zinc/05/97/01/411059701.db2.gz QWDUFSDLPYNXSS-UHFFFAOYSA-N 2 2 233.359 2.312 20 0 BEADLP Cc1cc(N(C)CC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000651477258 411059776 /nfs/dbraw/zinc/05/97/76/411059776.db2.gz XAPZFGVQLVECMN-UHFFFAOYSA-N 2 2 248.374 2.016 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000300046801 411078231 /nfs/dbraw/zinc/07/82/31/411078231.db2.gz AAAOWOQWINYTIO-IAQYHMDHSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000300046801 411078234 /nfs/dbraw/zinc/07/82/34/411078234.db2.gz AAAOWOQWINYTIO-IAQYHMDHSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1[NH3+] ZINC000300081503 411079031 /nfs/dbraw/zinc/07/90/31/411079031.db2.gz BJVHNMQVPDOMAZ-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@H]1[NH3+] ZINC000300081503 411079036 /nfs/dbraw/zinc/07/90/36/411079036.db2.gz BJVHNMQVPDOMAZ-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+]CC[NH+]1CCCC1 ZINC000651750071 411140965 /nfs/dbraw/zinc/14/09/65/411140965.db2.gz VDMUSWRZYMYTAT-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cncs1 ZINC000651865713 411147820 /nfs/dbraw/zinc/14/78/20/411147820.db2.gz FOBOXQNZVDNNNO-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cncs1 ZINC000651865713 411147821 /nfs/dbraw/zinc/14/78/21/411147821.db2.gz FOBOXQNZVDNNNO-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP FCC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000661689929 411151029 /nfs/dbraw/zinc/15/10/29/411151029.db2.gz HLRUIMYCUDFSHN-ZDUSSCGKSA-N 2 2 239.338 2.345 20 0 BEADLP FCC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000661689929 411151030 /nfs/dbraw/zinc/15/10/30/411151030.db2.gz HLRUIMYCUDFSHN-ZDUSSCGKSA-N 2 2 239.338 2.345 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000657898865 411159583 /nfs/dbraw/zinc/15/95/83/411159583.db2.gz GMQJILABROGVTP-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000657898865 411159585 /nfs/dbraw/zinc/15/95/85/411159585.db2.gz GMQJILABROGVTP-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657900591 411160274 /nfs/dbraw/zinc/16/02/74/411160274.db2.gz RDAUFKCCGKEBOM-NSHDSACASA-N 2 2 246.345 2.006 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657900591 411160276 /nfs/dbraw/zinc/16/02/76/411160276.db2.gz RDAUFKCCGKEBOM-NSHDSACASA-N 2 2 246.345 2.006 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000123885420 411178098 /nfs/dbraw/zinc/17/80/98/411178098.db2.gz GZSATMFJZSTXSY-IPYPFGDCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000123885420 411178100 /nfs/dbraw/zinc/17/81/00/411178100.db2.gz GZSATMFJZSTXSY-IPYPFGDCSA-N 2 2 248.370 2.104 20 0 BEADLP COCc1ccc(C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397913319 411243923 /nfs/dbraw/zinc/24/39/23/411243923.db2.gz BVNCPDCEQKRABL-UHFFFAOYSA-N 2 2 248.370 2.017 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCCSCC2)CCC1 ZINC000657985489 411190736 /nfs/dbraw/zinc/19/07/36/411190736.db2.gz TULSLGFTPQAGLQ-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP COCc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000652330236 411202399 /nfs/dbraw/zinc/20/23/99/411202399.db2.gz AAYJPZCDMXZFDU-WCQYABFASA-N 2 2 249.358 2.123 20 0 BEADLP COCc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000652330236 411202400 /nfs/dbraw/zinc/20/24/00/411202400.db2.gz AAYJPZCDMXZFDU-WCQYABFASA-N 2 2 249.358 2.123 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CS1 ZINC000655683281 411223777 /nfs/dbraw/zinc/22/37/77/411223777.db2.gz BVXOUPIBGUAORP-RYUDHWBXSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000655683264 411224131 /nfs/dbraw/zinc/22/41/31/411224131.db2.gz BDCVTSCJGXTLMQ-WDEREUQCSA-N 2 2 230.421 2.200 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000658059443 411226692 /nfs/dbraw/zinc/22/66/92/411226692.db2.gz JJXIXIIEAKMPQL-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000658059443 411226694 /nfs/dbraw/zinc/22/66/94/411226694.db2.gz JJXIXIIEAKMPQL-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000658062934 411229454 /nfs/dbraw/zinc/22/94/54/411229454.db2.gz TVTWFZVYRWBPHG-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000658062934 411229460 /nfs/dbraw/zinc/22/94/60/411229460.db2.gz TVTWFZVYRWBPHG-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)CS1 ZINC000655686551 411230249 /nfs/dbraw/zinc/23/02/49/411230249.db2.gz KQIJVZNEPTTWBW-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655693265 411239078 /nfs/dbraw/zinc/23/90/78/411239078.db2.gz VYFBRKJWNKGNPK-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655693265 411239080 /nfs/dbraw/zinc/23/90/80/411239080.db2.gz VYFBRKJWNKGNPK-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401665727 411276785 /nfs/dbraw/zinc/27/67/85/411276785.db2.gz HJPPTLFOYNRSDR-MWLCHTKSSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000186277830 411293109 /nfs/dbraw/zinc/29/31/09/411293109.db2.gz YXVOTCOAFGNLRS-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000186277830 411293114 /nfs/dbraw/zinc/29/31/14/411293114.db2.gz YXVOTCOAFGNLRS-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@]1(C)CC1(C)C ZINC000658309983 411331065 /nfs/dbraw/zinc/33/10/65/411331065.db2.gz ZZWOVCVPECTPCI-SCDSUCTJSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@]1(C)CC1(C)C ZINC000658309983 411331067 /nfs/dbraw/zinc/33/10/67/411331067.db2.gz ZZWOVCVPECTPCI-SCDSUCTJSA-N 2 2 222.376 2.247 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658285705 411323150 /nfs/dbraw/zinc/32/31/50/411323150.db2.gz MQCZLTYPWOJUAN-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658285705 411323152 /nfs/dbraw/zinc/32/31/52/411323152.db2.gz MQCZLTYPWOJUAN-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2CCC2)C1 ZINC000660130118 411250353 /nfs/dbraw/zinc/25/03/53/411250353.db2.gz VPHMCYXRRBTEEH-CYBMUJFWSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000660130118 411250354 /nfs/dbraw/zinc/25/03/54/411250354.db2.gz VPHMCYXRRBTEEH-CYBMUJFWSA-N 2 2 233.359 2.400 20 0 BEADLP C[C@H]1CCC[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784639 411361989 /nfs/dbraw/zinc/36/19/89/411361989.db2.gz GHOTVCTVGXDPQS-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784639 411361991 /nfs/dbraw/zinc/36/19/91/411361991.db2.gz GHOTVCTVGXDPQS-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2F)CCCC1 ZINC000656788445 411367901 /nfs/dbraw/zinc/36/79/01/411367901.db2.gz PMAKEVLFHLPNRY-UHFFFAOYSA-N 2 2 240.297 2.326 20 0 BEADLP CC1CC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000309744100 168145053 /nfs/dbraw/zinc/14/50/53/168145053.db2.gz FBAKSEIDKPONOM-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CC1CC([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000309744100 168145054 /nfs/dbraw/zinc/14/50/54/168145054.db2.gz FBAKSEIDKPONOM-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CC1CCC([N@H+](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000042317308 168160401 /nfs/dbraw/zinc/16/04/01/168160401.db2.gz KOGJBHSEEQJNCC-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([N@@H+](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000042317308 168160403 /nfs/dbraw/zinc/16/04/03/168160403.db2.gz KOGJBHSEEQJNCC-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC(=O)CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000294965822 168199441 /nfs/dbraw/zinc/19/94/41/168199441.db2.gz NUBXGYOCTGECIU-LBPRGKRZSA-N 2 2 249.358 2.348 20 0 BEADLP CCC(=O)CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000294965822 168199442 /nfs/dbraw/zinc/19/94/42/168199442.db2.gz NUBXGYOCTGECIU-LBPRGKRZSA-N 2 2 249.358 2.348 20 0 BEADLP Fc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657300759 411457924 /nfs/dbraw/zinc/45/79/24/411457924.db2.gz MXUBFKNKWUWFIL-UHFFFAOYSA-N 2 2 245.301 2.258 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657300406 411458015 /nfs/dbraw/zinc/45/80/15/411458015.db2.gz NJHAWYLZBNYXEF-VXGBXAGGSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CO[C@H](CC)C1)[NH+]1CCCC1 ZINC000657306581 411458264 /nfs/dbraw/zinc/45/82/64/411458264.db2.gz NHDZCQYRSRPRRB-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC1(C)C[C@@H]([NH2+]CC[NH+]2CCCCC2)CCO1 ZINC000070360179 411408498 /nfs/dbraw/zinc/40/84/98/411408498.db2.gz MJBSHBZOWKACAL-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)CCO1 ZINC000070360181 411408905 /nfs/dbraw/zinc/40/89/05/411408905.db2.gz FSUOUILDJPVEKK-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@@H]1C[N@H+](C)CCCN1c1cc(C)[nH+]c(C)n1 ZINC000657208300 411419015 /nfs/dbraw/zinc/41/90/15/411419015.db2.gz FDHKVLRVLUYDNV-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP CC[C@@H]1C[N@@H+](C)CCCN1c1cc(C)[nH+]c(C)n1 ZINC000657208300 411419017 /nfs/dbraw/zinc/41/90/17/411419017.db2.gz FDHKVLRVLUYDNV-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323793 411463545 /nfs/dbraw/zinc/46/35/45/411463545.db2.gz AGKAEZZMUCJZLN-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323793 411463547 /nfs/dbraw/zinc/46/35/47/411463547.db2.gz AGKAEZZMUCJZLN-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1CCCCC1)CCC2 ZINC000657287500 411447100 /nfs/dbraw/zinc/44/71/00/411447100.db2.gz OZPGYKTYHQTHHV-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP Cc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657298256 411454756 /nfs/dbraw/zinc/45/47/56/411454756.db2.gz NLGVCDPSYPYBJC-UHFFFAOYSA-N 2 2 241.338 2.428 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C)(C)C(C)C)n1C ZINC000657357090 411477866 /nfs/dbraw/zinc/47/78/66/411477866.db2.gz WYVMSXKDAOFLFO-UHFFFAOYSA-N 2 2 209.337 2.253 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000307760408 411484424 /nfs/dbraw/zinc/48/44/24/411484424.db2.gz VRZOJNQNGDBLAI-QMMMGPOBSA-N 2 2 230.764 2.182 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000307760408 411484427 /nfs/dbraw/zinc/48/44/27/411484427.db2.gz VRZOJNQNGDBLAI-QMMMGPOBSA-N 2 2 230.764 2.182 20 0 BEADLP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CO1 ZINC000659882690 411489170 /nfs/dbraw/zinc/48/91/70/411489170.db2.gz LJZDGWYWOOPSJH-OLZOCXBDSA-N 2 2 249.358 2.088 20 0 BEADLP CC1(C)C[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CO1 ZINC000659882690 411489173 /nfs/dbraw/zinc/48/91/73/411489173.db2.gz LJZDGWYWOOPSJH-OLZOCXBDSA-N 2 2 249.358 2.088 20 0 BEADLP C1=CCC(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000659882730 411489350 /nfs/dbraw/zinc/48/93/50/411489350.db2.gz MMHCLZWLQKQUMW-AWEZNQCLSA-N 2 2 231.343 2.486 20 0 BEADLP C1=CCC(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000659882730 411489352 /nfs/dbraw/zinc/48/93/52/411489352.db2.gz MMHCLZWLQKQUMW-AWEZNQCLSA-N 2 2 231.343 2.486 20 0 BEADLP C1=CCC(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000659882731 411489808 /nfs/dbraw/zinc/48/98/08/411489808.db2.gz MMHCLZWLQKQUMW-CQSZACIVSA-N 2 2 231.343 2.486 20 0 BEADLP C1=CCC(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000659882731 411489811 /nfs/dbraw/zinc/48/98/11/411489811.db2.gz MMHCLZWLQKQUMW-CQSZACIVSA-N 2 2 231.343 2.486 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388840 411489991 /nfs/dbraw/zinc/48/99/91/411489991.db2.gz PEMWEBCQQKTUTO-GFCCVEGCSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CO1 ZINC000657391007 411491628 /nfs/dbraw/zinc/49/16/28/411491628.db2.gz LXJNOONBBUTYFM-OLZOCXBDSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117199 411492327 /nfs/dbraw/zinc/49/23/27/411492327.db2.gz BXJMAVIMWBWGJE-UQFNBPPOSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117199 411492330 /nfs/dbraw/zinc/49/23/30/411492330.db2.gz BXJMAVIMWBWGJE-UQFNBPPOSA-N 2 2 248.345 2.208 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C(C)C)C(C)C)n1C ZINC000657402502 411496038 /nfs/dbraw/zinc/49/60/38/411496038.db2.gz GTZLVGWEAOHVAY-UHFFFAOYSA-N 2 2 223.364 2.499 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336750731 411510335 /nfs/dbraw/zinc/51/03/35/411510335.db2.gz ZRPMEYWDEHUURZ-BBBLOLIVSA-N 2 2 238.297 2.257 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336750731 411510337 /nfs/dbraw/zinc/51/03/37/411510337.db2.gz ZRPMEYWDEHUURZ-BBBLOLIVSA-N 2 2 238.297 2.257 20 0 BEADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000336750341 411511052 /nfs/dbraw/zinc/51/10/52/411511052.db2.gz URJSOBSDCMARFK-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000336750341 411511053 /nfs/dbraw/zinc/51/10/53/411511053.db2.gz URJSOBSDCMARFK-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)cs1 ZINC000655793102 411516411 /nfs/dbraw/zinc/51/64/11/411516411.db2.gz WLLJSWIBNREROL-UHFFFAOYSA-N 2 2 224.373 2.239 20 0 BEADLP C[C@@]1([NH2+]Cc2c[nH+]c3n2CCC3)CC=CCC1 ZINC000657491223 411531547 /nfs/dbraw/zinc/53/15/47/411531547.db2.gz VZUBVIKKUWSCCG-CQSZACIVSA-N 2 2 231.343 2.418 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)C[C@H]1C ZINC000353749903 170009701 /nfs/dbraw/zinc/00/97/01/170009701.db2.gz NCGKFFDTAPTPOX-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)C[C@H]1C ZINC000353749903 170009702 /nfs/dbraw/zinc/00/97/02/170009702.db2.gz NCGKFFDTAPTPOX-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccnc2)C[C@H]1C ZINC000353749903 170009703 /nfs/dbraw/zinc/00/97/03/170009703.db2.gz NCGKFFDTAPTPOX-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccnc2)C[C@H]1C ZINC000353749903 170009705 /nfs/dbraw/zinc/00/97/05/170009705.db2.gz NCGKFFDTAPTPOX-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000328395727 170011115 /nfs/dbraw/zinc/01/11/15/170011115.db2.gz YYURWDGHNKAWAM-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000328395727 170011117 /nfs/dbraw/zinc/01/11/17/170011117.db2.gz YYURWDGHNKAWAM-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccco2)[C@H](C)C1 ZINC000173364117 170011384 /nfs/dbraw/zinc/01/13/84/170011384.db2.gz HBVUSVTYCCSFFV-DGCLKSJQSA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccco2)[C@H](C)C1 ZINC000173364117 170011387 /nfs/dbraw/zinc/01/13/87/170011387.db2.gz HBVUSVTYCCSFFV-DGCLKSJQSA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000328454187 170011447 /nfs/dbraw/zinc/01/14/47/170011447.db2.gz DXXCCIUVXRTVRU-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000328454187 170011449 /nfs/dbraw/zinc/01/14/49/170011449.db2.gz DXXCCIUVXRTVRU-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000328456094 170012886 /nfs/dbraw/zinc/01/28/86/170012886.db2.gz FJINDQGTOJFRAX-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000328456094 170012888 /nfs/dbraw/zinc/01/28/88/170012888.db2.gz FJINDQGTOJFRAX-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000328199371 170014053 /nfs/dbraw/zinc/01/40/53/170014053.db2.gz RODLHYPMUOXWLJ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000328199371 170014054 /nfs/dbraw/zinc/01/40/54/170014054.db2.gz RODLHYPMUOXWLJ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP CC1([NH2+]Cc2c[nH+]c3n2CCC3)CC=CC1 ZINC000657504237 411538906 /nfs/dbraw/zinc/53/89/06/411538906.db2.gz FSSPSXYARBWFEU-UHFFFAOYSA-N 2 2 217.316 2.028 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145074 170020886 /nfs/dbraw/zinc/02/08/86/170020886.db2.gz BZXDKFQRIMBJOK-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145074 170020887 /nfs/dbraw/zinc/02/08/87/170020887.db2.gz BZXDKFQRIMBJOK-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP Cn1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857738 411539334 /nfs/dbraw/zinc/53/93/34/411539334.db2.gz VCSWTZVEFDXMPL-HUUCEWRRSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857738 411539337 /nfs/dbraw/zinc/53/93/37/411539337.db2.gz VCSWTZVEFDXMPL-HUUCEWRRSA-N 2 2 247.386 2.132 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2(C)CC2)C1 ZINC000309044324 170029615 /nfs/dbraw/zinc/02/96/15/170029615.db2.gz NJBZITMIXGEEKS-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2(C)CC2)C1 ZINC000309044324 170029617 /nfs/dbraw/zinc/02/96/17/170029617.db2.gz NJBZITMIXGEEKS-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC)CCC2)C1 ZINC000309986749 170031079 /nfs/dbraw/zinc/03/10/79/170031079.db2.gz YQDFKESSAJWNGN-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC)CCC2)C1 ZINC000309986749 170031081 /nfs/dbraw/zinc/03/10/81/170031081.db2.gz YQDFKESSAJWNGN-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCCCSC)[C@@H](C)C1 ZINC000309058373 170035596 /nfs/dbraw/zinc/03/55/96/170035596.db2.gz VMFJAVAXSQSYAE-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000309040461 170036647 /nfs/dbraw/zinc/03/66/47/170036647.db2.gz KXYLYZNRGCHJIP-XQQFMLRXSA-N 2 2 208.349 2.025 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000309040461 170036648 /nfs/dbraw/zinc/03/66/48/170036648.db2.gz KXYLYZNRGCHJIP-XQQFMLRXSA-N 2 2 208.349 2.025 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H](C)C1 ZINC000309922716 170037328 /nfs/dbraw/zinc/03/73/28/170037328.db2.gz TTWFTDQYIWIJPJ-XQQFMLRXSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H](C)C1 ZINC000309922716 170037330 /nfs/dbraw/zinc/03/73/30/170037330.db2.gz TTWFTDQYIWIJPJ-XQQFMLRXSA-N 2 2 242.432 2.059 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848684 411536512 /nfs/dbraw/zinc/53/65/12/411536512.db2.gz JRZWKIHZCYGBPI-RWMBFGLXSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848684 411536515 /nfs/dbraw/zinc/53/65/15/411536515.db2.gz JRZWKIHZCYGBPI-RWMBFGLXSA-N 2 2 210.365 2.391 20 0 BEADLP C1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000655848674 411536562 /nfs/dbraw/zinc/53/65/62/411536562.db2.gz JPUMOXDINRNAFW-AVGNSLFASA-N 2 2 240.416 2.098 20 0 BEADLP C1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CS1 ZINC000655848674 411536564 /nfs/dbraw/zinc/53/65/64/411536564.db2.gz JPUMOXDINRNAFW-AVGNSLFASA-N 2 2 240.416 2.098 20 0 BEADLP COCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850839 411536770 /nfs/dbraw/zinc/53/67/70/411536770.db2.gz ZFZRLVHAIJFWHZ-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850839 411536771 /nfs/dbraw/zinc/53/67/71/411536771.db2.gz ZFZRLVHAIJFWHZ-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849225 411536828 /nfs/dbraw/zinc/53/68/28/411536828.db2.gz QKHKSFCTFVSURO-HOAMVYINSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849225 411536829 /nfs/dbraw/zinc/53/68/29/411536829.db2.gz QKHKSFCTFVSURO-HOAMVYINSA-N 2 2 222.376 2.391 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849444 411537764 /nfs/dbraw/zinc/53/77/64/411537764.db2.gz UYFXQPXKTFHPSG-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849444 411537765 /nfs/dbraw/zinc/53/77/65/411537765.db2.gz UYFXQPXKTFHPSG-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1c(C)cc(C)cc1C ZINC000161307493 170115706 /nfs/dbraw/zinc/11/57/06/170115706.db2.gz NZZQODODVBGGFY-UHFFFAOYSA-N 2 2 220.360 2.311 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564223 411552225 /nfs/dbraw/zinc/55/22/25/411552225.db2.gz XBSFXACEOSZFQZ-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564223 411552226 /nfs/dbraw/zinc/55/22/26/411552226.db2.gz XBSFXACEOSZFQZ-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000657563758 411552360 /nfs/dbraw/zinc/55/23/60/411552360.db2.gz QIZKKGQILFUWCQ-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000657563758 411552362 /nfs/dbraw/zinc/55/23/62/411552362.db2.gz QIZKKGQILFUWCQ-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H](C)O1 ZINC000657564533 411552875 /nfs/dbraw/zinc/55/28/75/411552875.db2.gz WEWMGSUATAZTAJ-LPWJVIDDSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)[C@@H](C)O1 ZINC000657564533 411552877 /nfs/dbraw/zinc/55/28/77/411552877.db2.gz WEWMGSUATAZTAJ-LPWJVIDDSA-N 2 2 240.391 2.015 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CCCC1CCC1)CCC2 ZINC000657667958 411573989 /nfs/dbraw/zinc/57/39/89/411573989.db2.gz VJKKJZCHULIJBS-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP CCOCC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000292899084 170355009 /nfs/dbraw/zinc/35/50/09/170355009.db2.gz GJLSFKXORCIZGB-UHFFFAOYSA-N 2 2 247.342 2.239 20 0 BEADLP CCOC1CCC([NH2+]CC[NH+](CC)CC)CC1 ZINC000657816423 411605358 /nfs/dbraw/zinc/60/53/58/411605358.db2.gz JFDUQUKFIVJOIY-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCCSCC1 ZINC000657819801 411606709 /nfs/dbraw/zinc/60/67/09/411606709.db2.gz ZBHVESCOSIFBJG-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)[NH+](C)C ZINC000657871697 411613816 /nfs/dbraw/zinc/61/38/16/411613816.db2.gz LHRDHQDJFJWNOO-QNWHQSFQSA-N 2 2 224.392 2.351 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)CCC1 ZINC000657873805 411614869 /nfs/dbraw/zinc/61/48/69/411614869.db2.gz VJFUTXBDQMXCPI-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCC1 ZINC000657873805 411614871 /nfs/dbraw/zinc/61/48/71/411614871.db2.gz VJFUTXBDQMXCPI-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCSCC1)[N@H+](C)C1CC1 ZINC000657873722 411614981 /nfs/dbraw/zinc/61/49/81/411614981.db2.gz UWUYAVTUAOILJF-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCSCC1)[N@@H+](C)C1CC1 ZINC000657873722 411614982 /nfs/dbraw/zinc/61/49/82/411614982.db2.gz UWUYAVTUAOILJF-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCSCC1)[N@H+](C)C1CC1 ZINC000657873725 411615108 /nfs/dbraw/zinc/61/51/08/411615108.db2.gz UWUYAVTUAOILJF-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCSCC1)[N@@H+](C)C1CC1 ZINC000657873725 411615110 /nfs/dbraw/zinc/61/51/10/411615110.db2.gz UWUYAVTUAOILJF-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@H](C)[N@H+](CC)CCc1c[nH+]cn1C ZINC000661105527 411710029 /nfs/dbraw/zinc/71/00/29/411710029.db2.gz YCDTZNFOLSKCDA-NSHDSACASA-N 2 2 209.337 2.083 20 0 BEADLP CC[C@H](C)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000661105527 411710032 /nfs/dbraw/zinc/71/00/32/411710032.db2.gz YCDTZNFOLSKCDA-NSHDSACASA-N 2 2 209.337 2.083 20 0 BEADLP c1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc(C2CC2)c1 ZINC000663500805 411684441 /nfs/dbraw/zinc/68/44/41/411684441.db2.gz OORMPCLTBSUEIA-UHFFFAOYSA-N 2 2 242.366 2.406 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000663509118 411689914 /nfs/dbraw/zinc/68/99/14/411689914.db2.gz WQLBDXXMBQCCPE-LLVKDONJSA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000663508159 411690514 /nfs/dbraw/zinc/69/05/14/411690514.db2.gz KYFWSOZREUJNQB-SNVBAGLBSA-N 2 2 247.317 2.071 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000663509219 411691607 /nfs/dbraw/zinc/69/16/07/411691607.db2.gz IMCWHTDKVPTKLO-UMBAGQNISA-N 2 2 240.297 2.176 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000663509278 411692684 /nfs/dbraw/zinc/69/26/84/411692684.db2.gz IMCWHTDKVPTKLO-XOULXFPDSA-N 2 2 240.297 2.176 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000663514775 411694323 /nfs/dbraw/zinc/69/43/23/411694323.db2.gz SWWTXWYJXUUJEU-SECBINFHSA-N 2 2 228.286 2.322 20 0 BEADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661969003 411925117 /nfs/dbraw/zinc/92/51/17/411925117.db2.gz AXBZHZKHUGBRJY-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661969003 411925119 /nfs/dbraw/zinc/92/51/19/411925119.db2.gz AXBZHZKHUGBRJY-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000662239702 412037831 /nfs/dbraw/zinc/03/78/31/412037831.db2.gz FQZULWMOEHJDPN-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000662239702 412037834 /nfs/dbraw/zinc/03/78/34/412037834.db2.gz FQZULWMOEHJDPN-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@@H]1CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000292771823 171024056 /nfs/dbraw/zinc/02/40/56/171024056.db2.gz KMAVAQAUVZNEFN-LLVKDONJSA-N 2 2 215.300 2.319 20 0 BEADLP CC[C@@H]1CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000292771823 171024059 /nfs/dbraw/zinc/02/40/59/171024059.db2.gz KMAVAQAUVZNEFN-LLVKDONJSA-N 2 2 215.300 2.319 20 0 BEADLP CC[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000292117286 171024763 /nfs/dbraw/zinc/02/47/63/171024763.db2.gz AAYOPRUIQWTHAV-CYBMUJFWSA-N 2 2 242.326 2.252 20 0 BEADLP CC[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000292117286 171024767 /nfs/dbraw/zinc/02/47/67/171024767.db2.gz AAYOPRUIQWTHAV-CYBMUJFWSA-N 2 2 242.326 2.252 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000310038234 171041602 /nfs/dbraw/zinc/04/16/02/171041602.db2.gz VWZQMZUVRFARGB-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000310038234 171041603 /nfs/dbraw/zinc/04/16/03/171041603.db2.gz VWZQMZUVRFARGB-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336736849 171045253 /nfs/dbraw/zinc/04/52/53/171045253.db2.gz MZHPBLZBEUBCBZ-OPDFLTKYSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336736849 171045255 /nfs/dbraw/zinc/04/52/55/171045255.db2.gz MZHPBLZBEUBCBZ-OPDFLTKYSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273869 412064675 /nfs/dbraw/zinc/06/46/75/412064675.db2.gz AVQDCDQNUYKNQU-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273869 412064678 /nfs/dbraw/zinc/06/46/78/412064678.db2.gz AVQDCDQNUYKNQU-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000309099297 171125824 /nfs/dbraw/zinc/12/58/24/171125824.db2.gz GCCFXXBWNBWBNQ-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000360461811 171160341 /nfs/dbraw/zinc/16/03/41/171160341.db2.gz VVOHZXUAQRLBMC-DGCLKSJQSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1CCn1cc[nH+]c1C ZINC000360461811 171160344 /nfs/dbraw/zinc/16/03/44/171160344.db2.gz VVOHZXUAQRLBMC-DGCLKSJQSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000185632779 171161490 /nfs/dbraw/zinc/16/14/90/171161490.db2.gz OYUPROJFPIFWDV-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000185632779 171161493 /nfs/dbraw/zinc/16/14/93/171161493.db2.gz OYUPROJFPIFWDV-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000308954326 171284787 /nfs/dbraw/zinc/28/47/87/171284787.db2.gz QCATZNNEJZQJDM-LBPRGKRZSA-N 2 2 210.365 2.274 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000308954326 171284788 /nfs/dbraw/zinc/28/47/88/171284788.db2.gz QCATZNNEJZQJDM-LBPRGKRZSA-N 2 2 210.365 2.274 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000126776425 171284791 /nfs/dbraw/zinc/28/47/91/171284791.db2.gz PHYLRENOPDLMRS-RYUDHWBXSA-N 2 2 209.337 2.155 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000309197190 171341351 /nfs/dbraw/zinc/34/13/51/171341351.db2.gz QSZWUAOPFTZQNQ-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000309197190 171341352 /nfs/dbraw/zinc/34/13/52/171341352.db2.gz QSZWUAOPFTZQNQ-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685487 171390402 /nfs/dbraw/zinc/39/04/02/171390402.db2.gz UYQLWLFTLKUCGW-SDDRHHMPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685487 171390403 /nfs/dbraw/zinc/39/04/03/171390403.db2.gz UYQLWLFTLKUCGW-SDDRHHMPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336743977 171391463 /nfs/dbraw/zinc/39/14/63/171391463.db2.gz YRMQKPGTLTVFQU-CYDGBPFRSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336743977 171391465 /nfs/dbraw/zinc/39/14/65/171391465.db2.gz YRMQKPGTLTVFQU-CYDGBPFRSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000310019370 171391579 /nfs/dbraw/zinc/39/15/79/171391579.db2.gz MJPMBKBGDTUKNY-DCAQKATOSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000310019370 171391581 /nfs/dbraw/zinc/39/15/81/171391581.db2.gz MJPMBKBGDTUKNY-DCAQKATOSA-N 2 2 221.348 2.291 20 0 BEADLP C[NH+](C)Cc1cc(-c2[nH]cc[nH+]2)ccc1F ZINC000665199620 412131683 /nfs/dbraw/zinc/13/16/83/412131683.db2.gz PPQYFXROVDLCMC-UHFFFAOYSA-N 2 2 219.263 2.277 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276785 412218737 /nfs/dbraw/zinc/21/87/37/412218737.db2.gz MRYKUCRTQIVADQ-XSRFYTQQSA-N 2 2 236.384 2.459 20 0 BEADLP COc1cccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665276598 412219451 /nfs/dbraw/zinc/21/94/51/412219451.db2.gz HNWODTIYJRLCLD-BZUNDVKYSA-N 2 2 246.354 2.098 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276621 412219919 /nfs/dbraw/zinc/21/99/19/412219919.db2.gz IGATZBSJSQCXNP-XIKARTHZSA-N 2 2 246.354 2.098 20 0 BEADLP CCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccnc1 ZINC000665279065 412223005 /nfs/dbraw/zinc/22/30/05/412223005.db2.gz WDHGWECETQOARS-HNFVBEJKSA-N 2 2 245.370 2.264 20 0 BEADLP CC(C)[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccnc1 ZINC000665279214 412223593 /nfs/dbraw/zinc/22/35/93/412223593.db2.gz ZLIAAQWUUNOTMC-BLZCZZARSA-N 2 2 245.370 2.120 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(F)cc1 ZINC000665293697 412238998 /nfs/dbraw/zinc/23/89/98/412238998.db2.gz BABAAFNNFIWNQI-MFKMUULPSA-N 2 2 224.323 2.474 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000665294072 412239273 /nfs/dbraw/zinc/23/92/73/412239273.db2.gz HNANWQPAFCCJLF-XHDPSFHLSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000665293785 412239462 /nfs/dbraw/zinc/23/94/62/412239462.db2.gz CVUTZBJROMQARJ-PSASIEDQSA-N 2 2 212.362 2.315 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000665295425 412242433 /nfs/dbraw/zinc/24/24/33/412242433.db2.gz DITKHPCXYCCIDC-YUMQZZPRSA-N 2 2 246.276 2.362 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000665295765 412242525 /nfs/dbraw/zinc/24/25/25/412242525.db2.gz ISQXLIHIFBZVTJ-RISCZKNCSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000665295433 412242782 /nfs/dbraw/zinc/24/27/82/412242782.db2.gz DLTBHUMSPZXYPB-TVQRCGJNSA-N 2 2 222.307 2.011 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000665295432 412242817 /nfs/dbraw/zinc/24/28/17/412242817.db2.gz DLTBHUMSPZXYPB-RNCFNFMXSA-N 2 2 222.307 2.011 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000665297708 412244801 /nfs/dbraw/zinc/24/48/01/412244801.db2.gz KERHTTYUSZBULY-BXUZGUMPSA-N 2 2 233.359 2.131 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000665296829 412244865 /nfs/dbraw/zinc/24/48/65/412244865.db2.gz YJEBQHJFKSEVSF-SDBXPKJASA-N 2 2 240.297 2.150 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000665298706 412246100 /nfs/dbraw/zinc/24/61/00/412246100.db2.gz ZYSYKXJWYHVWSG-MNOVXSKESA-N 2 2 238.379 2.031 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000665298494 412246228 /nfs/dbraw/zinc/24/62/28/412246228.db2.gz XAHLJSWPYJFIFW-BXUZGUMPSA-N 2 2 233.359 2.120 20 0 BEADLP Cc1nc2[nH]ccc2c(NCC[C@@H]([NH3+])C(C)C)[nH+]1 ZINC000663275649 412405278 /nfs/dbraw/zinc/40/52/78/412405278.db2.gz AMFWUBOFEGUHBU-LLVKDONJSA-N 2 2 247.346 2.052 20 0 BEADLP CCc1[nH+]ccn1Cc1cn2c(cccc2C)[nH+]1 ZINC000158348488 172027814 /nfs/dbraw/zinc/02/78/14/172027814.db2.gz HZSJRHSDXCMXBK-UHFFFAOYSA-N 2 2 240.310 2.450 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000107788367 173034248 /nfs/dbraw/zinc/03/42/48/173034248.db2.gz MZPHZTYJPALQRG-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000107788367 173034250 /nfs/dbraw/zinc/03/42/50/173034250.db2.gz MZPHZTYJPALQRG-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000040671726 173046728 /nfs/dbraw/zinc/04/67/28/173046728.db2.gz PJSOSTJBONCFLN-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000040671726 173046729 /nfs/dbraw/zinc/04/67/29/173046729.db2.gz PJSOSTJBONCFLN-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000222697861 173056284 /nfs/dbraw/zinc/05/62/84/173056284.db2.gz CMLMAUTXTMLBFB-XHDPSFHLSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000222697861 173056287 /nfs/dbraw/zinc/05/62/87/173056287.db2.gz CMLMAUTXTMLBFB-XHDPSFHLSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000107788371 173057512 /nfs/dbraw/zinc/05/75/12/173057512.db2.gz MZPHZTYJPALQRG-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000107788371 173057514 /nfs/dbraw/zinc/05/75/14/173057514.db2.gz MZPHZTYJPALQRG-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542711 173132301 /nfs/dbraw/zinc/13/23/01/173132301.db2.gz CFPOCJAGEFHOBS-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542711 173132305 /nfs/dbraw/zinc/13/23/05/173132305.db2.gz CFPOCJAGEFHOBS-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542711 173132307 /nfs/dbraw/zinc/13/23/07/173132307.db2.gz CFPOCJAGEFHOBS-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542711 173132311 /nfs/dbraw/zinc/13/23/11/173132311.db2.gz CFPOCJAGEFHOBS-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3F)[C@H]2C1 ZINC000336469153 173132908 /nfs/dbraw/zinc/13/29/08/173132908.db2.gz YPKJFFMAHKIXID-DOMZBBRYSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3F)[C@H]2C1 ZINC000336469153 173132910 /nfs/dbraw/zinc/13/29/10/173132910.db2.gz YPKJFFMAHKIXID-DOMZBBRYSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3F)[C@H]2C1 ZINC000336469153 173132912 /nfs/dbraw/zinc/13/29/12/173132912.db2.gz YPKJFFMAHKIXID-DOMZBBRYSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3F)[C@H]2C1 ZINC000336469153 173132913 /nfs/dbraw/zinc/13/29/13/173132913.db2.gz YPKJFFMAHKIXID-DOMZBBRYSA-N 2 2 248.345 2.352 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328174113 487626008 /nfs/dbraw/zinc/62/60/08/487626008.db2.gz KTQDIJGSJABIOC-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328174113 487626013 /nfs/dbraw/zinc/62/60/13/487626013.db2.gz KTQDIJGSJABIOC-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000042544683 173152200 /nfs/dbraw/zinc/15/22/00/173152200.db2.gz XYWQSMRTYUNQKU-LBPRGKRZSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000042544683 173152201 /nfs/dbraw/zinc/15/22/01/173152201.db2.gz XYWQSMRTYUNQKU-LBPRGKRZSA-N 2 2 224.735 2.134 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000042489270 173345751 /nfs/dbraw/zinc/34/57/51/173345751.db2.gz DPVXNMCDRBWDDM-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000042489270 173345753 /nfs/dbraw/zinc/34/57/53/173345753.db2.gz DPVXNMCDRBWDDM-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000124763242 173346390 /nfs/dbraw/zinc/34/63/90/173346390.db2.gz FSQUCBMQLSSRSQ-UHFFFAOYSA-N 2 2 246.276 2.145 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000124763242 173346392 /nfs/dbraw/zinc/34/63/92/173346392.db2.gz FSQUCBMQLSSRSQ-UHFFFAOYSA-N 2 2 246.276 2.145 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc2ccccc2c1 ZINC000161271771 173356081 /nfs/dbraw/zinc/35/60/81/173356081.db2.gz ZYGJFOKUBKUFIT-UHFFFAOYSA-N 2 2 214.312 2.149 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(COC)c1 ZINC000133093176 173368697 /nfs/dbraw/zinc/36/86/97/173368697.db2.gz SUTCEXKHRJCFOF-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(COC)c1 ZINC000133093176 173368698 /nfs/dbraw/zinc/36/86/98/173368698.db2.gz SUTCEXKHRJCFOF-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000111234587 173370596 /nfs/dbraw/zinc/37/05/96/173370596.db2.gz RCLORHKXZHHCDK-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000111234587 173370598 /nfs/dbraw/zinc/37/05/98/173370598.db2.gz RCLORHKXZHHCDK-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011888696 173378596 /nfs/dbraw/zinc/37/85/96/173378596.db2.gz OFXLDUUPFGAWEY-GFCCVEGCSA-N 2 2 236.334 2.257 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011888696 173378597 /nfs/dbraw/zinc/37/85/97/173378597.db2.gz OFXLDUUPFGAWEY-GFCCVEGCSA-N 2 2 236.334 2.257 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000111234588 173381460 /nfs/dbraw/zinc/38/14/60/173381460.db2.gz RCLORHKXZHHCDK-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000111234588 173381461 /nfs/dbraw/zinc/38/14/61/173381461.db2.gz RCLORHKXZHHCDK-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000062037069 174215049 /nfs/dbraw/zinc/21/50/49/174215049.db2.gz ADKFKDNXUCZIHF-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000062037069 174215051 /nfs/dbraw/zinc/21/50/51/174215051.db2.gz ADKFKDNXUCZIHF-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353446627 174215244 /nfs/dbraw/zinc/21/52/44/174215244.db2.gz GNRZBEMULCETKA-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP COCCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353446627 174215246 /nfs/dbraw/zinc/21/52/46/174215246.db2.gz GNRZBEMULCETKA-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP COCCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289333402 174215864 /nfs/dbraw/zinc/21/58/64/174215864.db2.gz LDJDZKMMSXCYRR-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP COCCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289333402 174215865 /nfs/dbraw/zinc/21/58/65/174215865.db2.gz LDJDZKMMSXCYRR-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000337385275 174397305 /nfs/dbraw/zinc/39/73/05/174397305.db2.gz HHQYSPXDYTVODN-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356521774 174848730 /nfs/dbraw/zinc/84/87/30/174848730.db2.gz KIUYAZMTRBURGF-QWHCGFSZSA-N 2 2 236.359 2.336 20 0 BEADLP COc1ccc(C)[nH+]c1NCc1[nH+]cc(C)n1C ZINC000341276019 175083477 /nfs/dbraw/zinc/08/34/77/175083477.db2.gz HEBJSDMTPPBJLA-UHFFFAOYSA-N 2 2 246.314 2.053 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274835 175109345 /nfs/dbraw/zinc/10/93/45/175109345.db2.gz CYTWZLKOQVINAI-LBPRGKRZSA-N 2 2 245.326 2.070 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119130 175177284 /nfs/dbraw/zinc/17/72/84/175177284.db2.gz QOOAYDLNIMUFDI-GFCCVEGCSA-N 2 2 245.326 2.243 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126858 175188037 /nfs/dbraw/zinc/18/80/37/175188037.db2.gz BNOGMOFEHDRWBG-ZDUSSCGKSA-N 2 2 248.370 2.442 20 0 BEADLP COc1ccc2c(c1)[nH+]c(C1CC[NH2+]CC1)n2C ZINC000074298121 175218614 /nfs/dbraw/zinc/21/86/14/175218614.db2.gz UWQCIVCPFMZKIT-UHFFFAOYSA-N 2 2 245.326 2.049 20 0 BEADLP COc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000093394497 175254103 /nfs/dbraw/zinc/25/41/03/175254103.db2.gz UZVTXVKZZGDYLA-UHFFFAOYSA-N 2 2 234.343 2.008 20 0 BEADLP COc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000093394497 175254105 /nfs/dbraw/zinc/25/41/05/175254105.db2.gz UZVTXVKZZGDYLA-UHFFFAOYSA-N 2 2 234.343 2.008 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000234975460 175286618 /nfs/dbraw/zinc/28/66/18/175286618.db2.gz XZEZFHMQUPZTFO-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054765031 175287087 /nfs/dbraw/zinc/28/70/87/175287087.db2.gz ZYHIJRSFBDHISN-SNVBAGLBSA-N 2 2 231.299 2.269 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042544290 175293334 /nfs/dbraw/zinc/29/33/34/175293334.db2.gz WTEMZKXLENHNSN-WCQYABFASA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042544290 175293335 /nfs/dbraw/zinc/29/33/35/175293335.db2.gz WTEMZKXLENHNSN-WCQYABFASA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358407128 175293349 /nfs/dbraw/zinc/29/33/49/175293349.db2.gz SOYCXQGWPQFZHU-XUJVJEKNSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358407128 175293350 /nfs/dbraw/zinc/29/33/50/175293350.db2.gz SOYCXQGWPQFZHU-XUJVJEKNSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358407126 175293782 /nfs/dbraw/zinc/29/37/82/175293782.db2.gz SOYCXQGWPQFZHU-TYNCELHUSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358407126 175293783 /nfs/dbraw/zinc/29/37/83/175293783.db2.gz SOYCXQGWPQFZHU-TYNCELHUSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234884137 175344172 /nfs/dbraw/zinc/34/41/72/175344172.db2.gz TZCKRLHMEMARKH-NEPJUHHUSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234899072 175351542 /nfs/dbraw/zinc/35/15/42/175351542.db2.gz TZCKRLHMEMARKH-RYUDHWBXSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358408259 175351964 /nfs/dbraw/zinc/35/19/64/175351964.db2.gz SIGVEXGEKQLSCX-SGMGOOAPSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358408259 175351966 /nfs/dbraw/zinc/35/19/66/175351966.db2.gz SIGVEXGEKQLSCX-SGMGOOAPSA-N 2 2 248.370 2.296 20 0 BEADLP CSC1(C[NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000304358921 175451385 /nfs/dbraw/zinc/45/13/85/175451385.db2.gz YIHPNJDZAPQCOI-GFCCVEGCSA-N 2 2 244.448 2.448 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245323 176012773 /nfs/dbraw/zinc/01/27/73/176012773.db2.gz SPZHFEQLRZOVRO-VHSXEESVSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245323 176012775 /nfs/dbraw/zinc/01/27/75/176012775.db2.gz SPZHFEQLRZOVRO-VHSXEESVSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245342 176015834 /nfs/dbraw/zinc/01/58/34/176015834.db2.gz ANXMSEUBCHWAGL-VHSXEESVSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245342 176015835 /nfs/dbraw/zinc/01/58/35/176015835.db2.gz ANXMSEUBCHWAGL-VHSXEESVSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780466 176077392 /nfs/dbraw/zinc/07/73/92/176077392.db2.gz RKHCSCQJSKLXQZ-SYQHCUMBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780466 176077393 /nfs/dbraw/zinc/07/73/93/176077393.db2.gz RKHCSCQJSKLXQZ-SYQHCUMBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770772 176081925 /nfs/dbraw/zinc/08/19/25/176081925.db2.gz WZJZDPWMTVXXRJ-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770772 176081926 /nfs/dbraw/zinc/08/19/26/176081926.db2.gz WZJZDPWMTVXXRJ-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086718 176084612 /nfs/dbraw/zinc/08/46/12/176084612.db2.gz SREOGLUZORHDBK-FRRDWIJNSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086718 176084613 /nfs/dbraw/zinc/08/46/13/176084613.db2.gz SREOGLUZORHDBK-FRRDWIJNSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000034937286 176088303 /nfs/dbraw/zinc/08/83/03/176088303.db2.gz YLNWYYNARWDHMV-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000226770354 176098156 /nfs/dbraw/zinc/09/81/56/176098156.db2.gz MYEPDGOJYMUEGK-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000226770354 176098157 /nfs/dbraw/zinc/09/81/57/176098157.db2.gz MYEPDGOJYMUEGK-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2ccccc2F)[C@@H]1C[NH3+] ZINC000070175279 176102468 /nfs/dbraw/zinc/10/24/68/176102468.db2.gz CPEWSBVEPSQLDK-BXUZGUMPSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2F)[C@@H]1C[NH3+] ZINC000070175279 176102471 /nfs/dbraw/zinc/10/24/71/176102471.db2.gz CPEWSBVEPSQLDK-BXUZGUMPSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CC[N@H+](CC2CCCCC2)CC[NH2+]1 ZINC000049661966 176167891 /nfs/dbraw/zinc/16/78/91/176167891.db2.gz RYQCUNZNUNLANY-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC2CCCCC2)CC[NH2+]1 ZINC000049661966 176167893 /nfs/dbraw/zinc/16/78/93/176167893.db2.gz RYQCUNZNUNLANY-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948510 176209779 /nfs/dbraw/zinc/20/97/79/176209779.db2.gz NKUFQLCTEDVQFS-IUODEOHRSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948510 176209781 /nfs/dbraw/zinc/20/97/81/176209781.db2.gz NKUFQLCTEDVQFS-IUODEOHRSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000129347644 176212993 /nfs/dbraw/zinc/21/29/93/176212993.db2.gz CKMDNPHGHNLKIM-BNOWGMLFSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000335605298 176217286 /nfs/dbraw/zinc/21/72/86/176217286.db2.gz QPAWKSCAOJEUBS-PWSUYJOCSA-N 2 2 215.300 2.222 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990897 176272119 /nfs/dbraw/zinc/27/21/19/176272119.db2.gz FJBGYYXFEAWINN-HIFRSBDPSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990897 176272120 /nfs/dbraw/zinc/27/21/20/176272120.db2.gz FJBGYYXFEAWINN-HIFRSBDPSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603242 176272843 /nfs/dbraw/zinc/27/28/43/176272843.db2.gz ZPSYGOJKZKAOQQ-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603242 176272844 /nfs/dbraw/zinc/27/28/44/176272844.db2.gz ZPSYGOJKZKAOQQ-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000358188131 176274037 /nfs/dbraw/zinc/27/40/37/176274037.db2.gz LBDLKTKUTCFSIN-BVUBDWEXSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000358188131 176274039 /nfs/dbraw/zinc/27/40/39/176274039.db2.gz LBDLKTKUTCFSIN-BVUBDWEXSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000358231330 176274943 /nfs/dbraw/zinc/27/49/43/176274943.db2.gz YVFBDDHZJQUKCO-ONERCXAPSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000358231330 176274946 /nfs/dbraw/zinc/27/49/46/176274946.db2.gz YVFBDDHZJQUKCO-ONERCXAPSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702080 176276965 /nfs/dbraw/zinc/27/69/65/176276965.db2.gz ILAOVNQNCUQJSQ-HBIQZDMRSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702080 176276966 /nfs/dbraw/zinc/27/69/66/176276966.db2.gz ILAOVNQNCUQJSQ-HBIQZDMRSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562157 176277511 /nfs/dbraw/zinc/27/75/11/176277511.db2.gz IJPJDVRDNUJSMP-DGCLKSJQSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562157 176277512 /nfs/dbraw/zinc/27/75/12/176277512.db2.gz IJPJDVRDNUJSMP-DGCLKSJQSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000336781266 176278038 /nfs/dbraw/zinc/27/80/38/176278038.db2.gz UFBAECKASCZXJG-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000336781266 176278040 /nfs/dbraw/zinc/27/80/40/176278040.db2.gz UFBAECKASCZXJG-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336779465 176281157 /nfs/dbraw/zinc/28/11/57/176281157.db2.gz OHYJYWNDYOKUJI-NTZNESFSSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336779465 176281158 /nfs/dbraw/zinc/28/11/58/176281158.db2.gz OHYJYWNDYOKUJI-NTZNESFSSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337489086 176281255 /nfs/dbraw/zinc/28/12/55/176281255.db2.gz UYTDXDSYMZPYQY-KWCYVHTRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337489086 176281257 /nfs/dbraw/zinc/28/12/57/176281257.db2.gz UYTDXDSYMZPYQY-KWCYVHTRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145593 176281608 /nfs/dbraw/zinc/28/16/08/176281608.db2.gz BHBHZPZQKHFXQJ-KOLCDFICSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145593 176281609 /nfs/dbraw/zinc/28/16/09/176281609.db2.gz BHBHZPZQKHFXQJ-KOLCDFICSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337489087 176281626 /nfs/dbraw/zinc/28/16/26/176281626.db2.gz UYTDXDSYMZPYQY-MRVWCRGKSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000337489087 176281627 /nfs/dbraw/zinc/28/16/27/176281627.db2.gz UYTDXDSYMZPYQY-MRVWCRGKSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555251 176281658 /nfs/dbraw/zinc/28/16/58/176281658.db2.gz JLWFYDJHUJCFSR-WZRBSPASSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555251 176281659 /nfs/dbraw/zinc/28/16/59/176281659.db2.gz JLWFYDJHUJCFSR-WZRBSPASSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H](C)[NH+]1C ZINC000338790272 176321030 /nfs/dbraw/zinc/32/10/30/176321030.db2.gz XQGVXGMWWQEAQK-GHMZBOCLSA-N 2 2 244.342 2.092 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000304522655 176353014 /nfs/dbraw/zinc/35/30/14/176353014.db2.gz PNBMMVITXUSQDU-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)[C@@H]1C ZINC000336712899 176374819 /nfs/dbraw/zinc/37/48/19/176374819.db2.gz VHKJNFMYZVHXSO-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)[C@@H](C)O1 ZINC000295503166 176375000 /nfs/dbraw/zinc/37/50/00/176375000.db2.gz UFLJKBXXITZJON-JHJVBQTASA-N 2 2 249.358 2.039 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000162028545 176661873 /nfs/dbraw/zinc/66/18/73/176661873.db2.gz KOVBONGLTIKFRF-SSDOTTSWSA-N 2 2 233.142 2.430 20 0 BEADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC([NH3+])CC1 ZINC000034958699 177031493 /nfs/dbraw/zinc/03/14/93/177031493.db2.gz DEWKYLIFLSRGRH-SECBINFHSA-N 2 2 240.297 2.449 20 0 BEADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CC[NH3+] ZINC000054416846 177033547 /nfs/dbraw/zinc/03/35/47/177033547.db2.gz XYNMDIYFEJBXLN-MRVPVSSYSA-N 2 2 230.714 2.431 20 0 BEADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CC[NH3+] ZINC000054416846 177033548 /nfs/dbraw/zinc/03/35/48/177033548.db2.gz XYNMDIYFEJBXLN-MRVPVSSYSA-N 2 2 230.714 2.431 20 0 BEADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC[NH3+] ZINC000054417043 177035518 /nfs/dbraw/zinc/03/55/18/177035518.db2.gz UAECKRAFGBVDRA-SECBINFHSA-N 2 2 244.285 2.240 20 0 BEADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC[NH3+] ZINC000054417043 177035520 /nfs/dbraw/zinc/03/55/20/177035520.db2.gz UAECKRAFGBVDRA-SECBINFHSA-N 2 2 244.285 2.240 20 0 BEADLP C[C@H](c1cccc(O)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000161762098 177038005 /nfs/dbraw/zinc/03/80/05/177038005.db2.gz DGIIUPYHXDHCCB-GFCCVEGCSA-N 2 2 245.326 2.282 20 0 BEADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000161762098 177038006 /nfs/dbraw/zinc/03/80/06/177038006.db2.gz DGIIUPYHXDHCCB-GFCCVEGCSA-N 2 2 245.326 2.282 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289505059 177050258 /nfs/dbraw/zinc/05/02/58/177050258.db2.gz DUCNINUYUNMISR-GFCCVEGCSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000034937285 177082618 /nfs/dbraw/zinc/08/26/18/177082618.db2.gz YLNWYYNARWDHMV-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000309811557 177097436 /nfs/dbraw/zinc/09/74/36/177097436.db2.gz UITJCIDXLVSEFJ-QWHCGFSZSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000309811557 177097437 /nfs/dbraw/zinc/09/74/37/177097437.db2.gz UITJCIDXLVSEFJ-QWHCGFSZSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780500 177237029 /nfs/dbraw/zinc/23/70/29/177237029.db2.gz RNBNHPRLOXLMHM-WCQYABFASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780500 177237030 /nfs/dbraw/zinc/23/70/30/177237030.db2.gz RNBNHPRLOXLMHM-WCQYABFASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798169 177237167 /nfs/dbraw/zinc/23/71/67/177237167.db2.gz QPVSLKBVMVGGHZ-RJZJGCCBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798169 177237168 /nfs/dbraw/zinc/23/71/68/177237168.db2.gz QPVSLKBVMVGGHZ-RJZJGCCBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794675 177237385 /nfs/dbraw/zinc/23/73/85/177237385.db2.gz PVLXVELZFZAWNC-WDEREUQCSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794675 177237387 /nfs/dbraw/zinc/23/73/87/177237387.db2.gz PVLXVELZFZAWNC-WDEREUQCSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000336747397 177239766 /nfs/dbraw/zinc/23/97/66/177239766.db2.gz RZGGBHMTDCTUKZ-PEBLQZBPSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000336747397 177239768 /nfs/dbraw/zinc/23/97/68/177239768.db2.gz RZGGBHMTDCTUKZ-PEBLQZBPSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1[NH3+] ZINC000235725788 177263038 /nfs/dbraw/zinc/26/30/38/177263038.db2.gz ZMLMJMNKUOEURP-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1[NH3+] ZINC000235725788 177263039 /nfs/dbraw/zinc/26/30/39/177263039.db2.gz ZMLMJMNKUOEURP-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000051017517 177263720 /nfs/dbraw/zinc/26/37/20/177263720.db2.gz MHQIEYUKEUYJGC-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000051017517 177263721 /nfs/dbraw/zinc/26/37/21/177263721.db2.gz MHQIEYUKEUYJGC-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)[N@H+]1C ZINC000292913128 177278336 /nfs/dbraw/zinc/27/83/36/177278336.db2.gz XQGVXGMWWQEAQK-PHIMTYICSA-N 2 2 244.342 2.092 20 0 BEADLP C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)[N@@H+]1C ZINC000292913128 177278339 /nfs/dbraw/zinc/27/83/39/177278339.db2.gz XQGVXGMWWQEAQK-PHIMTYICSA-N 2 2 244.342 2.092 20 0 BEADLP C[C@H]1C[NH2+]CC[N@H+](CCC2CCCCC2)C1 ZINC000049662270 177282849 /nfs/dbraw/zinc/28/28/49/177282849.db2.gz JNAFTBGZZZKGKB-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]1C[NH2+]CC[N@@H+](CCC2CCCCC2)C1 ZINC000049662270 177282852 /nfs/dbraw/zinc/28/28/52/177282852.db2.gz JNAFTBGZZZKGKB-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH3+])c2ccsc2S1 ZINC000127644929 177331731 /nfs/dbraw/zinc/33/17/31/177331731.db2.gz RUVXIKULOIVMEG-IONNQARKSA-N 2 2 228.386 2.222 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@@H+]1C1CC1 ZINC000231632374 177369024 /nfs/dbraw/zinc/36/90/24/177369024.db2.gz XIPBMMLPLHCOQY-QWRGUYRKSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)C[N@H+]1C1CC1 ZINC000231632374 177369026 /nfs/dbraw/zinc/36/90/26/177369026.db2.gz XIPBMMLPLHCOQY-QWRGUYRKSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155679068 177391645 /nfs/dbraw/zinc/39/16/45/177391645.db2.gz WAGKWOUINUJUMC-WFASDCNBSA-N 2 2 241.338 2.406 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000229604434 177395090 /nfs/dbraw/zinc/39/50/90/177395090.db2.gz ZPEFNXVSBYBREX-ZJUUUORDSA-N 2 2 230.315 2.115 20 0 BEADLP Nc1[nH+]cccc1CNc1ccc2c([nH+]1)CCC2 ZINC001652482826 1173090615 /nfs/dbraw/zinc/09/06/15/1173090615.db2.gz GUDDURHBZLQACV-UHFFFAOYSA-N 2 2 240.310 2.160 20 0 BEADLP COCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400360825 225093855 /nfs/dbraw/zinc/09/38/55/225093855.db2.gz CZPQBHLAIKNKHZ-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP COCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400360822 225094252 /nfs/dbraw/zinc/09/42/52/225094252.db2.gz CZPQBHLAIKNKHZ-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400384411 225119044 /nfs/dbraw/zinc/11/90/44/225119044.db2.gz LLPWSHKHTWSEHP-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP COCc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400520002 226345621 /nfs/dbraw/zinc/34/56/21/226345621.db2.gz OAZUZLCXDDPNBQ-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400540704 226345980 /nfs/dbraw/zinc/34/59/80/226345980.db2.gz USUYENNMOZACLD-YWPYICTPSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000674913006 487653290 /nfs/dbraw/zinc/65/32/90/487653290.db2.gz UFPHQMPSBYREFB-ZFWWWQNUSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000674913006 487653294 /nfs/dbraw/zinc/65/32/94/487653294.db2.gz UFPHQMPSBYREFB-ZFWWWQNUSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1ccccc1C[NH2+]CC1([NH+](C)C)CC1 ZINC000397753162 262744493 /nfs/dbraw/zinc/74/44/93/262744493.db2.gz FEXWQRBDGOVZFG-UHFFFAOYSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)n1C ZINC000667649943 487695425 /nfs/dbraw/zinc/69/54/25/487695425.db2.gz HIUMLZZORQCSRB-UWVGGRQHSA-N 2 2 239.388 2.054 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)n1C ZINC000667649943 487695428 /nfs/dbraw/zinc/69/54/28/487695428.db2.gz HIUMLZZORQCSRB-UWVGGRQHSA-N 2 2 239.388 2.054 20 0 BEADLP FC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000527220165 262833120 /nfs/dbraw/zinc/83/31/20/262833120.db2.gz FNLHIDCJIQXAKU-CYBMUJFWSA-N 2 2 240.366 2.439 20 0 BEADLP FC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000527220165 262833122 /nfs/dbraw/zinc/83/31/22/262833122.db2.gz FNLHIDCJIQXAKU-CYBMUJFWSA-N 2 2 240.366 2.439 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccn1 ZINC000527650279 262871826 /nfs/dbraw/zinc/87/18/26/262871826.db2.gz XOCNKYYYAXNLQL-GFCCVEGCSA-N 2 2 244.342 2.012 20 0 BEADLP CC(C)(CC[N@@H+]1CCC[NH2+]CC1)C1CC1 ZINC000328567544 487715446 /nfs/dbraw/zinc/71/54/46/487715446.db2.gz NZMZURCKDPPEPI-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC(C)(CC[N@H+]1CCC[NH2+]CC1)C1CC1 ZINC000328567544 487715448 /nfs/dbraw/zinc/71/54/48/487715448.db2.gz NZMZURCKDPPEPI-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC[C@@]1(C)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667682108 487716414 /nfs/dbraw/zinc/71/64/14/487716414.db2.gz ABATVRMSXBGTIE-AWEZNQCLSA-N 2 2 233.359 2.451 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667682108 487716420 /nfs/dbraw/zinc/71/64/20/487716420.db2.gz ABATVRMSXBGTIE-AWEZNQCLSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000668432662 487746432 /nfs/dbraw/zinc/74/64/32/487746432.db2.gz WGBCBVKMSHYJPF-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000668432662 487746436 /nfs/dbraw/zinc/74/64/36/487746436.db2.gz WGBCBVKMSHYJPF-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+]1CCC(Nc2c[nH+]cc3c2CCCC3)CC1 ZINC000668440104 487757796 /nfs/dbraw/zinc/75/77/96/487757796.db2.gz IHAXWGLQBTXEKK-UHFFFAOYSA-N 2 2 245.370 2.467 20 0 BEADLP CC(C)C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459359652 487760661 /nfs/dbraw/zinc/76/06/61/487760661.db2.gz OCWRJTIBDCRUPK-ZDUSSCGKSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459359652 487760665 /nfs/dbraw/zinc/76/06/65/487760665.db2.gz OCWRJTIBDCRUPK-ZDUSSCGKSA-N 2 2 235.375 2.331 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000675767320 487776221 /nfs/dbraw/zinc/77/62/21/487776221.db2.gz SLBQLBLZVLWZBP-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP CCc1cnc(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000234220639 487776518 /nfs/dbraw/zinc/77/65/18/487776518.db2.gz QJCZVTJDKUVKQO-UHFFFAOYSA-N 2 2 239.388 2.067 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000675767320 487776222 /nfs/dbraw/zinc/77/62/22/487776222.db2.gz SLBQLBLZVLWZBP-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000294699145 487778351 /nfs/dbraw/zinc/77/83/51/487778351.db2.gz DZIHDFVWARXKTO-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000294699145 487778357 /nfs/dbraw/zinc/77/83/57/487778357.db2.gz DZIHDFVWARXKTO-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000294699145 487778360 /nfs/dbraw/zinc/77/83/60/487778360.db2.gz DZIHDFVWARXKTO-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000294699145 487778365 /nfs/dbraw/zinc/77/83/65/487778365.db2.gz DZIHDFVWARXKTO-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459396 487783207 /nfs/dbraw/zinc/78/32/07/487783207.db2.gz UBWLYTJVGLQRJB-UTUOFQBUSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459396 487783215 /nfs/dbraw/zinc/78/32/15/487783215.db2.gz UBWLYTJVGLQRJB-UTUOFQBUSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC12CCC2 ZINC000394730783 487808267 /nfs/dbraw/zinc/80/82/67/487808267.db2.gz KWNNHNOECOLBQQ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cn1 ZINC000414842321 487826052 /nfs/dbraw/zinc/82/60/52/487826052.db2.gz YYPRHEJTSQUFAL-HNNXBMFYSA-N 2 2 241.338 2.180 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000414842323 487826485 /nfs/dbraw/zinc/82/64/85/487826485.db2.gz YYPRHEJTSQUFAL-OAHLLOKOSA-N 2 2 241.338 2.180 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000414932893 487830388 /nfs/dbraw/zinc/83/03/88/487830388.db2.gz WDMANDTWGROWHG-LSDHHAIUSA-N 3 2 247.386 2.182 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747140 487853860 /nfs/dbraw/zinc/85/38/60/487853860.db2.gz RURVMIPOHKFHAO-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747140 487853866 /nfs/dbraw/zinc/85/38/66/487853866.db2.gz RURVMIPOHKFHAO-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP c1cc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc2cn1 ZINC000666814497 487867552 /nfs/dbraw/zinc/86/75/52/487867552.db2.gz CWYRXQICSDRAJK-HNNXBMFYSA-N 2 2 241.338 2.076 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666767003 487875920 /nfs/dbraw/zinc/87/59/20/487875920.db2.gz ORFMMNWRJHOQPD-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000666782314 487879586 /nfs/dbraw/zinc/87/95/86/487879586.db2.gz JQMWODUBRBSRAU-UHFFFAOYSA-N 2 2 228.286 2.323 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000668219709 487881259 /nfs/dbraw/zinc/88/12/59/487881259.db2.gz UHHKFXLSGRDQRT-GJZGRUSLSA-N 2 2 245.370 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000668219709 487881266 /nfs/dbraw/zinc/88/12/66/487881266.db2.gz UHHKFXLSGRDQRT-GJZGRUSLSA-N 2 2 245.370 2.349 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847143 487881410 /nfs/dbraw/zinc/88/14/10/487881410.db2.gz HXBNAAZKLKQOKG-XQLPTFJDSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847143 487881415 /nfs/dbraw/zinc/88/14/15/487881415.db2.gz HXBNAAZKLKQOKG-XQLPTFJDSA-N 2 2 234.387 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000668219708 487881483 /nfs/dbraw/zinc/88/14/83/487881483.db2.gz UHHKFXLSGRDQRT-CABCVRRESA-N 2 2 245.370 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)n1C ZINC000668219708 487881487 /nfs/dbraw/zinc/88/14/87/487881487.db2.gz UHHKFXLSGRDQRT-CABCVRRESA-N 2 2 245.370 2.349 20 0 BEADLP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](CC)CO1 ZINC000403782927 487888074 /nfs/dbraw/zinc/88/80/74/487888074.db2.gz GUINWKHKBRZPTK-BFHYXJOUSA-N 2 2 242.407 2.249 20 0 BEADLP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](CC)CO1 ZINC000403782927 487888081 /nfs/dbraw/zinc/88/80/81/487888081.db2.gz GUINWKHKBRZPTK-BFHYXJOUSA-N 2 2 242.407 2.249 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948151 487890969 /nfs/dbraw/zinc/89/09/69/487890969.db2.gz STUKLPIHNUCHDC-AVGNSLFASA-N 2 2 230.371 2.491 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000666879629 487895417 /nfs/dbraw/zinc/89/54/17/487895417.db2.gz LFKZRNAMTOFAIT-KCJUWKMLSA-N 2 2 244.791 2.489 20 0 BEADLP Cc1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1C ZINC000668537728 487903061 /nfs/dbraw/zinc/90/30/61/487903061.db2.gz MWXXBZCDXMFTCQ-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1C ZINC000668537728 487903063 /nfs/dbraw/zinc/90/30/63/487903063.db2.gz MWXXBZCDXMFTCQ-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538405 487903006 /nfs/dbraw/zinc/90/30/06/487903006.db2.gz ZXCNARXOATVAIR-BXUZGUMPSA-N 2 2 248.370 2.396 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538405 487903011 /nfs/dbraw/zinc/90/30/11/487903011.db2.gz ZXCNARXOATVAIR-BXUZGUMPSA-N 2 2 248.370 2.396 20 0 BEADLP C[N@H+](CC1C[NH+](C)C1)CC1CCCCC1 ZINC000668540080 487905166 /nfs/dbraw/zinc/90/51/66/487905166.db2.gz VZQQTBADIGHRTN-UHFFFAOYSA-N 2 2 210.365 2.060 20 0 BEADLP C[N@@H+](CC1C[NH+](C)C1)CC1CCCCC1 ZINC000668540080 487905168 /nfs/dbraw/zinc/90/51/68/487905168.db2.gz VZQQTBADIGHRTN-UHFFFAOYSA-N 2 2 210.365 2.060 20 0 BEADLP C[C@@H]([NH2+]Cc1cscc1Cl)[C@H](C)[NH3+] ZINC000666930284 487907477 /nfs/dbraw/zinc/90/74/77/487907477.db2.gz VQWKECLBIGLFQI-NKWVEPMBSA-N 2 2 218.753 2.227 20 0 BEADLP CC1(C)CCC[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666945286 487909073 /nfs/dbraw/zinc/90/90/73/487909073.db2.gz INRTTYRFFIDCAZ-AGIUHOORSA-N 2 2 242.382 2.492 20 0 BEADLP Cc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1C ZINC000666943453 487909874 /nfs/dbraw/zinc/90/98/74/487909874.db2.gz ITFGERSAVWRUHC-KBPBESRZSA-N 2 2 236.334 2.093 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C ZINC000666946780 487909570 /nfs/dbraw/zinc/90/95/70/487909570.db2.gz QCHGBCYCCIYDPR-NAWOPXAZSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000083427821 487910665 /nfs/dbraw/zinc/91/06/65/487910665.db2.gz PGVDUCUULBKEHU-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000666945459 487910281 /nfs/dbraw/zinc/91/02/81/487910281.db2.gz RDQNXCFDTKJQLC-YUMQZZPRSA-N 2 2 248.754 2.191 20 0 BEADLP C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)O1 ZINC000308616197 533701793 /nfs/dbraw/zinc/70/17/93/533701793.db2.gz VBTYKWOMRZAHBQ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H]1C ZINC000666946778 487910857 /nfs/dbraw/zinc/91/08/57/487910857.db2.gz QCHGBCYCCIYDPR-BNDIWNMDSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000666946717 487910925 /nfs/dbraw/zinc/91/09/25/487910925.db2.gz NEBJJZMSRVNFQC-FQUUOJAGSA-N 2 2 240.366 2.245 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)CC1 ZINC000083434956 487911972 /nfs/dbraw/zinc/91/19/72/487911972.db2.gz IPKWJTRIWIODGL-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417361057 487916088 /nfs/dbraw/zinc/91/60/88/487916088.db2.gz YGKJHOMKCZFTPE-RYUDHWBXSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000357710362 487917262 /nfs/dbraw/zinc/91/72/62/487917262.db2.gz OOXMTNZJJNAXMA-ZJUUUORDSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@H+]1C1CC1 ZINC000357710362 487917266 /nfs/dbraw/zinc/91/72/66/487917266.db2.gz OOXMTNZJJNAXMA-ZJUUUORDSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652363294 487933295 /nfs/dbraw/zinc/93/32/95/487933295.db2.gz ACBPZOJQYCIBOG-WDEREUQCSA-N 2 2 236.334 2.135 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652363294 487933299 /nfs/dbraw/zinc/93/32/99/487933299.db2.gz ACBPZOJQYCIBOG-WDEREUQCSA-N 2 2 236.334 2.135 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000562955702 323034888 /nfs/dbraw/zinc/03/48/88/323034888.db2.gz IYZAOBBQEJQYGI-CHWSQXEVSA-N 2 2 248.370 2.406 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(C)(C)C2)n1C ZINC000569710432 323038258 /nfs/dbraw/zinc/03/82/58/323038258.db2.gz RJXKXCRQYCYWOX-NSHDSACASA-N 2 2 221.348 2.397 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000570225373 323053766 /nfs/dbraw/zinc/05/37/66/323053766.db2.gz OGLWMGGSLBMBFK-STQMWFEESA-N 2 2 246.358 2.132 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000570225373 323053767 /nfs/dbraw/zinc/05/37/67/323053767.db2.gz OGLWMGGSLBMBFK-STQMWFEESA-N 2 2 246.358 2.132 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@H]1C ZINC000570775943 323069826 /nfs/dbraw/zinc/06/98/26/323069826.db2.gz NZASTMZPOYDQIK-NTZNESFSSA-N 2 2 233.359 2.354 20 0 BEADLP C[C@H]1CC([NH2+]CC2([NH+](C)C)CC2)C[C@H](C)C1 ZINC000397791417 323096472 /nfs/dbraw/zinc/09/64/72/323096472.db2.gz RYGBNGNODBBRLF-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC12CCC2)[NH+](C)C ZINC000394741077 323097630 /nfs/dbraw/zinc/09/76/30/323097630.db2.gz QVJBXUPEURARPO-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCC12CCC2)[NH+](C)C ZINC000394741078 323097639 /nfs/dbraw/zinc/09/76/39/323097639.db2.gz QVJBXUPEURARPO-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394743042 323099222 /nfs/dbraw/zinc/09/92/22/323099222.db2.gz SWGRJGCXNBDEJH-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394743042 323099223 /nfs/dbraw/zinc/09/92/23/323099223.db2.gz SWGRJGCXNBDEJH-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CCOCC1 ZINC000531706468 323111993 /nfs/dbraw/zinc/11/19/93/323111993.db2.gz HJHUGGONZNLZBP-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCOCC1 ZINC000531706468 323111994 /nfs/dbraw/zinc/11/19/94/323111994.db2.gz HJHUGGONZNLZBP-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[NH2+]CC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000563415333 323123492 /nfs/dbraw/zinc/12/34/92/323123492.db2.gz NMBQBUWXZKWQJR-ZDUSSCGKSA-N 2 2 242.407 2.028 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563438472 323125654 /nfs/dbraw/zinc/12/56/54/323125654.db2.gz DTLXIKFVDOVOQL-NXEZZACHSA-N 2 2 209.337 2.253 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1F ZINC000414942581 323152161 /nfs/dbraw/zinc/15/21/61/323152161.db2.gz ZVADTHDMQQJYMH-HZMBPMFUSA-N 2 2 236.334 2.222 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)C1CCOCC1 ZINC000531932624 323155055 /nfs/dbraw/zinc/15/50/55/323155055.db2.gz ZKROLFASDNCCKI-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CCCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000541892866 323162073 /nfs/dbraw/zinc/16/20/73/323162073.db2.gz ODQDUIWEYJDMIC-LBPRGKRZSA-N 2 2 221.348 2.400 20 0 BEADLP CCCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000541892866 323162074 /nfs/dbraw/zinc/16/20/74/323162074.db2.gz ODQDUIWEYJDMIC-LBPRGKRZSA-N 2 2 221.348 2.400 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1C1CC1 ZINC000308721567 323177326 /nfs/dbraw/zinc/17/73/26/323177326.db2.gz DMMPFPBXGWCSMG-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@H+]1C1CC1 ZINC000308721567 323177327 /nfs/dbraw/zinc/17/73/27/323177327.db2.gz DMMPFPBXGWCSMG-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2cccc(C)n2)CC1 ZINC000051573729 323189992 /nfs/dbraw/zinc/18/99/92/323189992.db2.gz YEUFUCJDXZYJQB-UHFFFAOYSA-N 2 2 247.386 2.354 20 0 BEADLP CC(C)[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000535746961 323190200 /nfs/dbraw/zinc/19/02/00/323190200.db2.gz AYAVQYWLALBCOV-UHFFFAOYSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000535746961 323190201 /nfs/dbraw/zinc/19/02/01/323190201.db2.gz AYAVQYWLALBCOV-UHFFFAOYSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000161193123 323196028 /nfs/dbraw/zinc/19/60/28/323196028.db2.gz NSXOWJNKSFOQRK-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cscn1 ZINC000161193123 323196029 /nfs/dbraw/zinc/19/60/29/323196029.db2.gz NSXOWJNKSFOQRK-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000399238762 323201349 /nfs/dbraw/zinc/20/13/49/323201349.db2.gz FZODKODHOCKFTH-VIFPVBQESA-N 2 2 230.764 2.228 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240828 323211681 /nfs/dbraw/zinc/21/16/81/323211681.db2.gz ZEXWSXQCDGWYCQ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240828 323211683 /nfs/dbraw/zinc/21/16/83/323211683.db2.gz ZEXWSXQCDGWYCQ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240825 323211748 /nfs/dbraw/zinc/21/17/48/323211748.db2.gz ZEXWSXQCDGWYCQ-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240825 323211749 /nfs/dbraw/zinc/21/17/49/323211749.db2.gz ZEXWSXQCDGWYCQ-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544023 323249115 /nfs/dbraw/zinc/24/91/15/323249115.db2.gz XUKGALSPUJRSFG-DZGCQCFKSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544023 323249118 /nfs/dbraw/zinc/24/91/18/323249118.db2.gz XUKGALSPUJRSFG-DZGCQCFKSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544481 323249521 /nfs/dbraw/zinc/24/95/21/323249521.db2.gz VHUXMLXEHVGPPB-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544481 323249525 /nfs/dbraw/zinc/24/95/25/323249525.db2.gz VHUXMLXEHVGPPB-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042544491 323249538 /nfs/dbraw/zinc/24/95/38/323249538.db2.gz VHUXMLXEHVGPPB-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042544491 323249542 /nfs/dbraw/zinc/24/95/42/323249542.db2.gz VHUXMLXEHVGPPB-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP c1cn(CCC[NH2+][C@@H](C2CC2)C2CCC2)c[nH+]1 ZINC000324991341 323306906 /nfs/dbraw/zinc/30/69/06/323306906.db2.gz VPBODANKRFOXCQ-CQSZACIVSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000309374071 323348993 /nfs/dbraw/zinc/34/89/93/323348993.db2.gz CKGJNTKBXXYNGR-AGIUHOORSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000309374071 323348994 /nfs/dbraw/zinc/34/89/94/323348994.db2.gz CKGJNTKBXXYNGR-AGIUHOORSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000321522111 323621416 /nfs/dbraw/zinc/62/14/16/323621416.db2.gz OGDFZTZLYYITNP-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396712862 323653231 /nfs/dbraw/zinc/65/32/31/323653231.db2.gz RTCWMQGLBVLNPQ-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1CC12CC2 ZINC000527856015 323709887 /nfs/dbraw/zinc/70/98/87/323709887.db2.gz ZPCZODSIHYGDLP-ZIAGYGMSSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538062 324329687 /nfs/dbraw/zinc/32/96/87/324329687.db2.gz JVASXCJCAUTPES-MWLCHTKSSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538062 324329694 /nfs/dbraw/zinc/32/96/94/324329694.db2.gz JVASXCJCAUTPES-MWLCHTKSSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542652 324332503 /nfs/dbraw/zinc/33/25/03/324332503.db2.gz RAVAWSKZNQIKEI-WDEREUQCSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542652 324332505 /nfs/dbraw/zinc/33/25/05/324332505.db2.gz RAVAWSKZNQIKEI-WDEREUQCSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000529568557 324345752 /nfs/dbraw/zinc/34/57/52/324345752.db2.gz BRKYHBPFUKIQOJ-IUODEOHRSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000529568557 324345755 /nfs/dbraw/zinc/34/57/55/324345755.db2.gz BRKYHBPFUKIQOJ-IUODEOHRSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccn1 ZINC000529568557 324345758 /nfs/dbraw/zinc/34/57/58/324345758.db2.gz BRKYHBPFUKIQOJ-IUODEOHRSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccn1 ZINC000529568557 324345763 /nfs/dbraw/zinc/34/57/63/324345763.db2.gz BRKYHBPFUKIQOJ-IUODEOHRSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1(C)CC1 ZINC000131080506 325113377 /nfs/dbraw/zinc/11/33/77/325113377.db2.gz HMJMYILWWPEDND-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1(C)CC1 ZINC000131080506 325113379 /nfs/dbraw/zinc/11/33/79/325113379.db2.gz HMJMYILWWPEDND-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000132054628 325196597 /nfs/dbraw/zinc/19/65/97/325196597.db2.gz PNHBREUMCSUHOL-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@H](C)C1 ZINC000133353188 325289085 /nfs/dbraw/zinc/28/90/85/325289085.db2.gz VMXUQCHFZZOJAC-QWHCGFSZSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@H](C)C1 ZINC000133353188 325289086 /nfs/dbraw/zinc/28/90/86/325289086.db2.gz VMXUQCHFZZOJAC-QWHCGFSZSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1cc(OCc2c[nH+]cn2C)cc(C)[nH+]1 ZINC000547814446 325402767 /nfs/dbraw/zinc/40/27/67/325402767.db2.gz RNZSLGSJHYXHTI-UHFFFAOYSA-N 2 2 217.272 2.011 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)cn2)CC1 ZINC000154283389 326138207 /nfs/dbraw/zinc/13/82/07/326138207.db2.gz LIPUTECSEKHZBQ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)cn2)CC1 ZINC000154283389 326138208 /nfs/dbraw/zinc/13/82/08/326138208.db2.gz LIPUTECSEKHZBQ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000154626764 326154154 /nfs/dbraw/zinc/15/41/54/326154154.db2.gz KARBORBHEKEWNK-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000154626764 326154155 /nfs/dbraw/zinc/15/41/55/326154155.db2.gz KARBORBHEKEWNK-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccoc1 ZINC000156588391 326236106 /nfs/dbraw/zinc/23/61/06/326236106.db2.gz RJCUMBXSTMAIGQ-GMXVVIOVSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccoc1 ZINC000156588391 326236107 /nfs/dbraw/zinc/23/61/07/326236107.db2.gz RJCUMBXSTMAIGQ-GMXVVIOVSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313282153 326261967 /nfs/dbraw/zinc/26/19/67/326261967.db2.gz MMVWXHCYLPTYGF-LBPRGKRZSA-N 2 2 247.342 2.167 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313282152 326262002 /nfs/dbraw/zinc/26/20/02/326262002.db2.gz MMVWXHCYLPTYGF-GFCCVEGCSA-N 2 2 247.342 2.167 20 0 BEADLP Cc1cccc(C[NH2+]CCC[NH+]2CCC2)c1F ZINC000568238260 326332346 /nfs/dbraw/zinc/33/23/46/326332346.db2.gz QMOLVBLAHMDYIZ-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccncc1 ZINC000568273091 326339034 /nfs/dbraw/zinc/33/90/34/326339034.db2.gz JHHXMELYLVFAAJ-AWEZNQCLSA-N 2 2 244.342 2.364 20 0 BEADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1(C)C ZINC000568494722 326359405 /nfs/dbraw/zinc/35/94/05/326359405.db2.gz AVVSNJBDOGNIIF-RWMBFGLXSA-N 2 2 242.407 2.118 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568828151 326378180 /nfs/dbraw/zinc/37/81/80/326378180.db2.gz PMLBDHWQKPPUSD-HZSPNIEDSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568828151 326378181 /nfs/dbraw/zinc/37/81/81/326378181.db2.gz PMLBDHWQKPPUSD-HZSPNIEDSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568828151 326378182 /nfs/dbraw/zinc/37/81/82/326378182.db2.gz PMLBDHWQKPPUSD-HZSPNIEDSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568828151 326378183 /nfs/dbraw/zinc/37/81/83/326378183.db2.gz PMLBDHWQKPPUSD-HZSPNIEDSA-N 2 2 245.370 2.311 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000568901047 326382349 /nfs/dbraw/zinc/38/23/49/326382349.db2.gz KUABCQXJTOPMJL-UHFFFAOYSA-N 2 2 222.307 2.008 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000235510448 487975249 /nfs/dbraw/zinc/97/52/49/487975249.db2.gz ZCARBAIOTNPISB-WCQYABFASA-N 2 2 234.343 2.185 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(O)c2)n1C ZINC000667463409 488014667 /nfs/dbraw/zinc/01/46/67/488014667.db2.gz MCXHIMQKUHOSFQ-UHFFFAOYSA-N 2 2 245.326 2.066 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(O)c2)n1C ZINC000667463409 488014675 /nfs/dbraw/zinc/01/46/75/488014675.db2.gz MCXHIMQKUHOSFQ-UHFFFAOYSA-N 2 2 245.326 2.066 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000488342390 533715502 /nfs/dbraw/zinc/71/55/02/533715502.db2.gz WVVRGLUJLAMWPC-MGPQQGTHSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000488342390 533715509 /nfs/dbraw/zinc/71/55/09/533715509.db2.gz WVVRGLUJLAMWPC-MGPQQGTHSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667473635 488020530 /nfs/dbraw/zinc/02/05/30/488020530.db2.gz QCQCKCAIURRQNX-LLVKDONJSA-N 2 2 219.332 2.204 20 0 BEADLP C[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667473635 488020533 /nfs/dbraw/zinc/02/05/33/488020533.db2.gz QCQCKCAIURRQNX-LLVKDONJSA-N 2 2 219.332 2.204 20 0 BEADLP C[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667473636 488020211 /nfs/dbraw/zinc/02/02/11/488020211.db2.gz QCQCKCAIURRQNX-NSHDSACASA-N 2 2 219.332 2.204 20 0 BEADLP C[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667473636 488020215 /nfs/dbraw/zinc/02/02/15/488020215.db2.gz QCQCKCAIURRQNX-NSHDSACASA-N 2 2 219.332 2.204 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)n1C ZINC000667517798 488036595 /nfs/dbraw/zinc/03/65/95/488036595.db2.gz GJUWFUVEOYTJKA-JTQLQIEISA-N 2 2 233.359 2.491 20 0 BEADLP Cc1[nH+]cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)n1C ZINC000667517798 488036600 /nfs/dbraw/zinc/03/66/00/488036600.db2.gz GJUWFUVEOYTJKA-JTQLQIEISA-N 2 2 233.359 2.491 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000488357531 533718594 /nfs/dbraw/zinc/71/85/94/533718594.db2.gz PCMDBXAMZQLEMN-MGPQQGTHSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000488357531 533718603 /nfs/dbraw/zinc/71/86/03/533718603.db2.gz PCMDBXAMZQLEMN-MGPQQGTHSA-N 2 2 222.376 2.203 20 0 BEADLP CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667534525 488040551 /nfs/dbraw/zinc/04/05/51/488040551.db2.gz CGKAYUZKVIQSEO-UHFFFAOYSA-N 2 2 233.359 2.451 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccoc2C)n1C ZINC000667551620 488042324 /nfs/dbraw/zinc/04/23/24/488042324.db2.gz RYHUNKOIWFHVBQ-UHFFFAOYSA-N 2 2 233.315 2.262 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccoc2C)n1C ZINC000667551620 488042330 /nfs/dbraw/zinc/04/23/30/488042330.db2.gz RYHUNKOIWFHVBQ-UHFFFAOYSA-N 2 2 233.315 2.262 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)n1C ZINC000667559556 488047015 /nfs/dbraw/zinc/04/70/15/488047015.db2.gz AVNLDNSLCFFNKX-AOOOYVTPSA-N 2 2 239.388 2.054 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)n1C ZINC000667559556 488047018 /nfs/dbraw/zinc/04/70/18/488047018.db2.gz AVNLDNSLCFFNKX-AOOOYVTPSA-N 2 2 239.388 2.054 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)n1C ZINC000667568139 488050128 /nfs/dbraw/zinc/05/01/28/488050128.db2.gz UVOYYBLFNHXLKF-MNOVXSKESA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)n1C ZINC000667568139 488050131 /nfs/dbraw/zinc/05/01/31/488050131.db2.gz UVOYYBLFNHXLKF-MNOVXSKESA-N 2 2 221.348 2.349 20 0 BEADLP CCC(CC)C[N@@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000393914820 488066658 /nfs/dbraw/zinc/06/66/58/488066658.db2.gz YIFAFOQGWRKFLK-RYUDHWBXSA-N 2 2 216.344 2.054 20 0 BEADLP CCC(CC)C[N@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000393914820 488066663 /nfs/dbraw/zinc/06/66/63/488066663.db2.gz YIFAFOQGWRKFLK-RYUDHWBXSA-N 2 2 216.344 2.054 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667650814 488074589 /nfs/dbraw/zinc/07/45/89/488074589.db2.gz DXVFLJFBHBJIAP-ZYHUDNBSSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667650814 488074590 /nfs/dbraw/zinc/07/45/90/488074590.db2.gz DXVFLJFBHBJIAP-ZYHUDNBSSA-N 2 2 221.348 2.349 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000656527558 488089391 /nfs/dbraw/zinc/08/93/91/488089391.db2.gz WHYCMVXRIFRKCD-GFCCVEGCSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000656527558 488089399 /nfs/dbraw/zinc/08/93/99/488089399.db2.gz WHYCMVXRIFRKCD-GFCCVEGCSA-N 2 2 222.376 2.251 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccnc2ccccc12 ZINC000092347487 488089924 /nfs/dbraw/zinc/08/99/24/488089924.db2.gz NLIAWYGDKUQEFQ-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccnc2ccccc12 ZINC000092347487 488089926 /nfs/dbraw/zinc/08/99/26/488089926.db2.gz NLIAWYGDKUQEFQ-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(C)C)C2)n1C ZINC000667696754 488091787 /nfs/dbraw/zinc/09/17/87/488091787.db2.gz GELMGNNNHOFHBH-GFCCVEGCSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(C)C)C2)n1C ZINC000667696754 488091792 /nfs/dbraw/zinc/09/17/92/488091792.db2.gz GELMGNNNHOFHBH-GFCCVEGCSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[NH+]2[C@H](C)CC[C@H]2C)n1C ZINC000667699242 488093067 /nfs/dbraw/zinc/09/30/67/488093067.db2.gz WWWBYTLZFLWEPP-NXEZZACHSA-N 2 2 207.321 2.101 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000389402019 488094594 /nfs/dbraw/zinc/09/45/94/488094594.db2.gz PVJXDKVBJJRZEQ-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000389402019 488094596 /nfs/dbraw/zinc/09/45/96/488094596.db2.gz PVJXDKVBJJRZEQ-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCn1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000683031658 488101822 /nfs/dbraw/zinc/10/18/22/488101822.db2.gz VMSOHHVDMZTNOI-UHFFFAOYSA-N 2 2 246.358 2.227 20 0 BEADLP CCn1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000683031658 488101824 /nfs/dbraw/zinc/10/18/24/488101824.db2.gz VMSOHHVDMZTNOI-UHFFFAOYSA-N 2 2 246.358 2.227 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2C[C@@H]2C)C1 ZINC000321178368 488131345 /nfs/dbraw/zinc/13/13/45/488131345.db2.gz ZFTHSFUANFZGCZ-XDQVBPFNSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2C[C@@H]2C)C1 ZINC000321178368 488131351 /nfs/dbraw/zinc/13/13/51/488131351.db2.gz ZFTHSFUANFZGCZ-XDQVBPFNSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382342458 487540624 /nfs/dbraw/zinc/54/06/24/487540624.db2.gz CQGCUQFUCVOJEC-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000162142684 487540744 /nfs/dbraw/zinc/54/07/44/487540744.db2.gz WXZKLEUMLOARJR-MRVPVSSYSA-N 2 2 230.714 2.177 20 0 BEADLP Cn1c[nH+]cc1COc1cc[nH+]c2c1CCCC2 ZINC000655701238 487543070 /nfs/dbraw/zinc/54/30/70/487543070.db2.gz DBQJYANPTRHATN-UHFFFAOYSA-N 2 2 243.310 2.273 20 0 BEADLP C[C@H]1CC(C)(C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668240414 487531220 /nfs/dbraw/zinc/53/12/20/487531220.db2.gz HVMDELPNHGPVKI-NSHDSACASA-N 2 2 233.359 2.450 20 0 BEADLP C[C@H]1CC(C)(C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668240414 487531222 /nfs/dbraw/zinc/53/12/22/487531222.db2.gz HVMDELPNHGPVKI-NSHDSACASA-N 2 2 233.359 2.450 20 0 BEADLP CCc1ccccc1C[N@H+](CC)CC[NH3+] ZINC000231819390 487477323 /nfs/dbraw/zinc/47/73/23/487477323.db2.gz STPCMZSWDODKBL-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CCc1ccccc1C[N@@H+](CC)CC[NH3+] ZINC000231819390 487477329 /nfs/dbraw/zinc/47/73/29/487477329.db2.gz STPCMZSWDODKBL-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccccc1SC ZINC000231818976 487477371 /nfs/dbraw/zinc/47/73/71/487477371.db2.gz PCJMTRFLASUBET-UHFFFAOYSA-N 2 2 224.373 2.189 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccccc1SC ZINC000231818976 487477373 /nfs/dbraw/zinc/47/73/73/487477373.db2.gz PCJMTRFLASUBET-UHFFFAOYSA-N 2 2 224.373 2.189 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000231819407 487477490 /nfs/dbraw/zinc/47/74/90/487477490.db2.gz FINITUDWJJBBOW-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000231819407 487477495 /nfs/dbraw/zinc/47/74/95/487477495.db2.gz FINITUDWJJBBOW-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP C[C@H]1CC[C@@H](C[N@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997321 487497081 /nfs/dbraw/zinc/49/70/81/487497081.db2.gz XWTPMPIGDYIRLG-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@H]1CC[C@@H](C[N@@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997321 487497087 /nfs/dbraw/zinc/49/70/87/487497087.db2.gz XWTPMPIGDYIRLG-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP C[N@@H+]1CC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000674065805 487506080 /nfs/dbraw/zinc/50/60/80/487506080.db2.gz WXHZGVZISXEZRG-NSHDSACASA-N 2 2 248.374 2.138 20 0 BEADLP C[N@H+]1CC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000674065805 487506082 /nfs/dbraw/zinc/50/60/82/487506082.db2.gz WXHZGVZISXEZRG-NSHDSACASA-N 2 2 248.374 2.138 20 0 BEADLP CCc1cc(NCCCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000665724642 487523764 /nfs/dbraw/zinc/52/37/64/487523764.db2.gz CICMEYQUCFHMFH-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1cc(NCCCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000665724642 487523768 /nfs/dbraw/zinc/52/37/68/487523768.db2.gz CICMEYQUCFHMFH-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167331176 488156729 /nfs/dbraw/zinc/15/67/29/488156729.db2.gz MWBRJNJGMSJXEV-QWRGUYRKSA-N 2 2 226.389 2.219 20 0 BEADLP Cc1occc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000680541452 487613440 /nfs/dbraw/zinc/61/34/40/487613440.db2.gz BNQRLHAAIYWLQT-UHFFFAOYSA-N 2 2 245.326 2.339 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1C[C@@H]3CCCC[C@@H]31)CCC2 ZINC000668298698 487634355 /nfs/dbraw/zinc/63/43/55/487634355.db2.gz HQYGSCLHHRSDCA-AAEUAGOBSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1C[C@@H]3CCCC[C@@H]31)CCC2 ZINC000668298698 487634361 /nfs/dbraw/zinc/63/43/61/487634361.db2.gz HQYGSCLHHRSDCA-AAEUAGOBSA-N 2 2 231.343 2.204 20 0 BEADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946494 487908833 /nfs/dbraw/zinc/90/88/33/487908833.db2.gz FLALPCMRZLAJSP-ZDEQEGDKSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946492 487908936 /nfs/dbraw/zinc/90/89/36/487908936.db2.gz FLALPCMRZLAJSP-MROQNXINSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946493 487909018 /nfs/dbraw/zinc/90/90/18/487909018.db2.gz FLALPCMRZLAJSP-VOAKCMCISA-N 2 2 242.382 2.491 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCCC[C@H]2C)n1C ZINC000667632043 488065080 /nfs/dbraw/zinc/06/50/80/488065080.db2.gz PMCSANIMFZMGEC-LLVKDONJSA-N 2 2 221.348 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCCC[C@H]2C)n1C ZINC000667632043 488065087 /nfs/dbraw/zinc/06/50/87/488065087.db2.gz PMCSANIMFZMGEC-LLVKDONJSA-N 2 2 221.348 2.493 20 0 BEADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000668679032 488105562 /nfs/dbraw/zinc/10/55/62/488105562.db2.gz XQYMHMZOOUCPIB-VXGBXAGGSA-N 2 2 219.332 2.306 20 0 BEADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000668679032 488105568 /nfs/dbraw/zinc/10/55/68/488105568.db2.gz XQYMHMZOOUCPIB-VXGBXAGGSA-N 2 2 219.332 2.306 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC000258818639 488137503 /nfs/dbraw/zinc/13/75/03/488137503.db2.gz FDHXRBIMVOIPTA-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC000258818639 488137505 /nfs/dbraw/zinc/13/75/05/488137505.db2.gz FDHXRBIMVOIPTA-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1C ZINC000666088614 488149588 /nfs/dbraw/zinc/14/95/88/488149588.db2.gz CQNOGZZWAXXIMI-NGFQHRJXSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1C ZINC000666088614 488149592 /nfs/dbraw/zinc/14/95/92/488149592.db2.gz CQNOGZZWAXXIMI-NGFQHRJXSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088615 488150280 /nfs/dbraw/zinc/15/02/80/488150280.db2.gz CQNOGZZWAXXIMI-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088615 488150285 /nfs/dbraw/zinc/15/02/85/488150285.db2.gz CQNOGZZWAXXIMI-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000677980392 488168120 /nfs/dbraw/zinc/16/81/20/488168120.db2.gz AFIGJKMPAILGPB-UHFFFAOYSA-N 2 2 245.326 2.449 20 0 BEADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)o1 ZINC000677980392 488168125 /nfs/dbraw/zinc/16/81/25/488168125.db2.gz AFIGJKMPAILGPB-UHFFFAOYSA-N 2 2 245.326 2.449 20 0 BEADLP COc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1C ZINC000683705420 488210717 /nfs/dbraw/zinc/21/07/17/488210717.db2.gz QQIJQLTUMYHDOO-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1C ZINC000683705420 488210720 /nfs/dbraw/zinc/21/07/20/488210720.db2.gz QQIJQLTUMYHDOO-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154905 488210863 /nfs/dbraw/zinc/21/08/63/488210863.db2.gz ZPPSHZLZIARYBN-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000668154132 488211159 /nfs/dbraw/zinc/21/11/59/488211159.db2.gz GBIKKAPZACIWOM-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC1(C)C ZINC000683769431 488218392 /nfs/dbraw/zinc/21/83/92/488218392.db2.gz UBFNTYGBGWPFPB-UBHSHLNASA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC1(C)C ZINC000683769431 488218395 /nfs/dbraw/zinc/21/83/95/488218395.db2.gz UBFNTYGBGWPFPB-UBHSHLNASA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@@](C)(O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684367322 488301594 /nfs/dbraw/zinc/30/15/94/488301594.db2.gz AUVKDDYBBGGWFQ-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)C(C)(C)O)c[nH+]1 ZINC000684374550 488302276 /nfs/dbraw/zinc/30/22/76/488302276.db2.gz LGDHPRFYGJDYBA-LBPRGKRZSA-N 2 2 236.359 2.072 20 0 BEADLP CCc1ccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000057953711 490198601 /nfs/dbraw/zinc/19/86/01/490198601.db2.gz ZRZHGXXNLZZAMW-HNNXBMFYSA-N 2 2 232.371 2.215 20 0 BEADLP CCc1ccc(CC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000057953711 490198610 /nfs/dbraw/zinc/19/86/10/490198610.db2.gz ZRZHGXXNLZZAMW-HNNXBMFYSA-N 2 2 232.371 2.215 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070327243 490208163 /nfs/dbraw/zinc/20/81/63/490208163.db2.gz XJZJVJRVOZDRKK-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070327240 490208484 /nfs/dbraw/zinc/20/84/84/490208484.db2.gz XJZJVJRVOZDRKK-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210749 490225698 /nfs/dbraw/zinc/22/56/98/490225698.db2.gz WNTJGWUCHZSNGW-MHEUCROKSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210749 490225699 /nfs/dbraw/zinc/22/56/99/490225699.db2.gz WNTJGWUCHZSNGW-MHEUCROKSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CC1(F)F ZINC000666228697 490291156 /nfs/dbraw/zinc/29/11/56/490291156.db2.gz WDIIHOHVOWIHHT-DTHBNOIPSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CC1(F)F ZINC000666228697 490291160 /nfs/dbraw/zinc/29/11/60/490291160.db2.gz WDIIHOHVOWIHHT-DTHBNOIPSA-N 2 2 244.329 2.245 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)C2(CO)CC2)c[nH+]1 ZINC000668508421 490342765 /nfs/dbraw/zinc/34/27/65/490342765.db2.gz SWXOTBBHXYOXDP-ZDUSSCGKSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cccn2c(C[N@@H+]3CC[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000668675544 490509441 /nfs/dbraw/zinc/50/94/41/490509441.db2.gz FANUGHGIUURKNX-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP Cc1cccn2c(C[N@H+]3CC[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000668675544 490509443 /nfs/dbraw/zinc/50/94/43/490509443.db2.gz FANUGHGIUURKNX-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000300993176 490573972 /nfs/dbraw/zinc/57/39/72/490573972.db2.gz VXEKHUROXWBEMH-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000300993176 490573978 /nfs/dbraw/zinc/57/39/78/490573978.db2.gz VXEKHUROXWBEMH-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000038040906 491076370 /nfs/dbraw/zinc/07/63/70/491076370.db2.gz AVNJMOFHMVRYDE-VIFPVBQESA-N 2 2 240.297 2.367 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655704630 491062570 /nfs/dbraw/zinc/06/25/70/491062570.db2.gz HCSAFVONMXWPEM-NEPJUHHUSA-N 2 2 230.421 2.200 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655704630 491062571 /nfs/dbraw/zinc/06/25/71/491062571.db2.gz HCSAFVONMXWPEM-NEPJUHHUSA-N 2 2 230.421 2.200 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000651910716 491077981 /nfs/dbraw/zinc/07/79/81/491077981.db2.gz GBCNOWIGAVVGIR-SLBVQIDZSA-N 2 2 244.382 2.391 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000651910716 491077982 /nfs/dbraw/zinc/07/79/82/491077982.db2.gz GBCNOWIGAVVGIR-SLBVQIDZSA-N 2 2 244.382 2.391 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651695341 491073952 /nfs/dbraw/zinc/07/39/52/491073952.db2.gz GDJSBEMPFZMRTC-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651695341 491073953 /nfs/dbraw/zinc/07/39/53/491073953.db2.gz GDJSBEMPFZMRTC-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCc1cc(NCC2(C)CC[NH+](C)CC2)nc[nH+]1 ZINC000227306925 491058124 /nfs/dbraw/zinc/05/81/24/491058124.db2.gz JKFSNFDLVJCOCD-UHFFFAOYSA-N 2 2 248.374 2.183 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655704632 491062527 /nfs/dbraw/zinc/06/25/27/491062527.db2.gz HCSAFVONMXWPEM-RYUDHWBXSA-N 2 2 230.421 2.200 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655704632 491062528 /nfs/dbraw/zinc/06/25/28/491062528.db2.gz HCSAFVONMXWPEM-RYUDHWBXSA-N 2 2 230.421 2.200 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651695340 491073912 /nfs/dbraw/zinc/07/39/12/491073912.db2.gz GDJSBEMPFZMRTC-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651695340 491073914 /nfs/dbraw/zinc/07/39/14/491073914.db2.gz GDJSBEMPFZMRTC-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CC[NH2+]C ZINC000069800744 491125400 /nfs/dbraw/zinc/12/54/00/491125400.db2.gz SCBLLUXTMFXABS-CYBMUJFWSA-N 2 2 224.323 2.428 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC[NH2+]C ZINC000069800744 491125401 /nfs/dbraw/zinc/12/54/01/491125401.db2.gz SCBLLUXTMFXABS-CYBMUJFWSA-N 2 2 224.323 2.428 20 0 BEADLP C[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000091660536 491131370 /nfs/dbraw/zinc/13/13/70/491131370.db2.gz IJTJULJVTZPTRK-AWEZNQCLSA-N 2 2 245.370 2.143 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000158512186 491132343 /nfs/dbraw/zinc/13/23/43/491132343.db2.gz MWZCLSZNSZLLHT-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C)c(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000158512186 491132344 /nfs/dbraw/zinc/13/23/44/491132344.db2.gz MWZCLSZNSZLLHT-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000132178489 491134629 /nfs/dbraw/zinc/13/46/29/491134629.db2.gz PIFKAOWPQAVEJR-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CCn1cc[nH+]c1 ZINC000132119072 491134912 /nfs/dbraw/zinc/13/49/12/491134912.db2.gz KOZVNIZKQPTTPB-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP Cc1cc(N2CCC[N@@H+](C(C)C)CC2)nc(C)[nH+]1 ZINC000132348396 491135377 /nfs/dbraw/zinc/13/53/77/491135377.db2.gz UYCWIPMJVGXOHH-UHFFFAOYSA-N 2 2 248.374 2.014 20 0 BEADLP Cc1cc(N2CCC[N@H+](C(C)C)CC2)nc(C)[nH+]1 ZINC000132348396 491135378 /nfs/dbraw/zinc/13/53/78/491135378.db2.gz UYCWIPMJVGXOHH-UHFFFAOYSA-N 2 2 248.374 2.014 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000488300746 533722701 /nfs/dbraw/zinc/72/27/01/533722701.db2.gz SEXMOLUIHIVARY-SYQHCUMBSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000488300746 533722710 /nfs/dbraw/zinc/72/27/10/533722710.db2.gz SEXMOLUIHIVARY-SYQHCUMBSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000488418752 533726607 /nfs/dbraw/zinc/72/66/07/533726607.db2.gz OAAMJPMLYBIZHC-UKRRQHHQSA-N 2 2 232.371 2.364 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000488418752 533726615 /nfs/dbraw/zinc/72/66/15/533726615.db2.gz OAAMJPMLYBIZHC-UKRRQHHQSA-N 2 2 232.371 2.364 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309085068 533735170 /nfs/dbraw/zinc/73/51/70/533735170.db2.gz WGWHEOLDKVOOJT-UHTWSYAYSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400576317 533742807 /nfs/dbraw/zinc/74/28/07/533742807.db2.gz OZDLEKZUIDHWCI-IWSPIJDZSA-N 2 2 224.270 2.057 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000488342391 534021641 /nfs/dbraw/zinc/02/16/41/534021641.db2.gz WVVRGLUJLAMWPC-RDBSUJKOSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000488342391 534021650 /nfs/dbraw/zinc/02/16/50/534021650.db2.gz WVVRGLUJLAMWPC-RDBSUJKOSA-N 2 2 222.376 2.203 20 0 BEADLP Cc1cc(NCCc2[nH+]cccc2C)cc[nH+]1 ZINC000404636840 534032591 /nfs/dbraw/zinc/03/25/91/534032591.db2.gz ABQFLMWAQFTVNG-UHFFFAOYSA-N 2 2 227.311 2.170 20 0 BEADLP Cc1csc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400566375 534819258 /nfs/dbraw/zinc/81/92/58/534819258.db2.gz IWOKOUODBWKXKV-ZYHUDNBSSA-N 2 2 224.373 2.287 20 0 BEADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1(C)C ZINC000348281508 534903862 /nfs/dbraw/zinc/90/38/62/534903862.db2.gz AVVSNJBDOGNIIF-JHJVBQTASA-N 2 2 242.407 2.118 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549417 534985328 /nfs/dbraw/zinc/98/53/28/534985328.db2.gz IRIYKEBOAOMORX-SWLSCSKDSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549417 534985333 /nfs/dbraw/zinc/98/53/33/534985333.db2.gz IRIYKEBOAOMORX-SWLSCSKDSA-N 2 2 248.370 2.253 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1cnc(C)s1 ZINC000086814568 535193912 /nfs/dbraw/zinc/19/39/12/535193912.db2.gz JJJPKQRGJXPKMX-UHFFFAOYSA-N 2 2 227.377 2.059 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000220430532 535209370 /nfs/dbraw/zinc/20/93/70/535209370.db2.gz LURHTOJQFJVOIF-UHFFFAOYSA-N 2 2 212.724 2.167 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334395434 535328014 /nfs/dbraw/zinc/32/80/14/535328014.db2.gz BKPZSVZERJKSKQ-QWRGUYRKSA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334395434 535328017 /nfs/dbraw/zinc/32/80/17/535328017.db2.gz BKPZSVZERJKSKQ-QWRGUYRKSA-N 2 2 233.359 2.435 20 0 BEADLP CC[NH+](CC)CCC[N@H+](C)Cc1cccnc1 ZINC000171931250 535503127 /nfs/dbraw/zinc/50/31/27/535503127.db2.gz LXPSLSOLXIKCCK-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cccnc1 ZINC000171931250 535503131 /nfs/dbraw/zinc/50/31/31/535503131.db2.gz LXPSLSOLXIKCCK-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)C ZINC000165171486 535897529 /nfs/dbraw/zinc/89/75/29/535897529.db2.gz HRCMEZCUFUESGP-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000082774852 535936758 /nfs/dbraw/zinc/93/67/58/535936758.db2.gz VGXMVIRELKYXEK-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000082774852 535936762 /nfs/dbraw/zinc/93/67/62/535936762.db2.gz VGXMVIRELKYXEK-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000082774596 535940333 /nfs/dbraw/zinc/94/03/33/535940333.db2.gz TZDPNVQOYFZRBO-CQSZACIVSA-N 2 2 218.344 2.091 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064683 536389799 /nfs/dbraw/zinc/38/97/99/536389799.db2.gz PEMAHRHLEMNTHG-STQMWFEESA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064683 536389800 /nfs/dbraw/zinc/38/98/00/536389800.db2.gz PEMAHRHLEMNTHG-STQMWFEESA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064683 536389804 /nfs/dbraw/zinc/38/98/04/536389804.db2.gz PEMAHRHLEMNTHG-STQMWFEESA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000351064683 536389807 /nfs/dbraw/zinc/38/98/07/536389807.db2.gz PEMAHRHLEMNTHG-STQMWFEESA-N 2 2 248.374 2.031 20 0 BEADLP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351064683 536389809 /nfs/dbraw/zinc/38/98/09/536389809.db2.gz PEMAHRHLEMNTHG-STQMWFEESA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351064683 536389810 /nfs/dbraw/zinc/38/98/10/536389810.db2.gz PEMAHRHLEMNTHG-STQMWFEESA-N 2 2 248.374 2.031 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000346694038 536458909 /nfs/dbraw/zinc/45/89/09/536458909.db2.gz RMCAHNYGYZJBGX-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346694038 536458911 /nfs/dbraw/zinc/45/89/11/536458911.db2.gz RMCAHNYGYZJBGX-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000335606857 566405263 /nfs/dbraw/zinc/40/52/63/566405263.db2.gz YTLUIUVGADJDRZ-SNVBAGLBSA-N 2 2 219.332 2.047 20 0 BEADLP CC1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000335606857 566405273 /nfs/dbraw/zinc/40/52/73/566405273.db2.gz YTLUIUVGADJDRZ-SNVBAGLBSA-N 2 2 219.332 2.047 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000251874086 566435632 /nfs/dbraw/zinc/43/56/32/566435632.db2.gz QSVKIAYQYQPCNO-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000251874086 566435641 /nfs/dbraw/zinc/43/56/41/566435641.db2.gz QSVKIAYQYQPCNO-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000893320835 583100114 /nfs/dbraw/zinc/10/01/14/583100114.db2.gz SGCIDPNAIRHNEA-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000893354597 583120846 /nfs/dbraw/zinc/12/08/46/583120846.db2.gz NREKTENSUDXVEU-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000893354597 583120849 /nfs/dbraw/zinc/12/08/49/583120849.db2.gz NREKTENSUDXVEU-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP CC(C)c1nc(NCC[C@@H](C)[NH+](C)C)cc[nH+]1 ZINC000853798159 588763748 /nfs/dbraw/zinc/76/37/48/588763748.db2.gz CSGVGUHQCYSGJX-LLVKDONJSA-N 2 2 236.363 2.352 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc2c(c1)CCO2 ZINC000854231742 588781409 /nfs/dbraw/zinc/78/14/09/588781409.db2.gz GPVQSVRKPRTQNS-BXUZGUMPSA-N 2 2 248.370 2.270 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccsc1 ZINC000393609136 582819821 /nfs/dbraw/zinc/81/98/21/582819821.db2.gz RIGYZBKEAKKMLA-SCVCMEIPSA-N 2 2 224.373 2.349 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000393609136 582819822 /nfs/dbraw/zinc/81/98/22/582819822.db2.gz RIGYZBKEAKKMLA-SCVCMEIPSA-N 2 2 224.373 2.349 20 0 BEADLP C[C@H](C1CC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000782181596 582870276 /nfs/dbraw/zinc/87/02/76/582870276.db2.gz AMIBLIQFNIBLMF-SNVBAGLBSA-N 2 2 219.332 2.388 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892429062 582885227 /nfs/dbraw/zinc/88/52/27/582885227.db2.gz CEJJOUOWLXGHAN-UHFFFAOYSA-N 2 2 242.750 2.087 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+](C)C ZINC000393619857 582925136 /nfs/dbraw/zinc/92/51/36/582925136.db2.gz OVHZCAXEMGLQMM-QWRGUYRKSA-N 2 2 226.389 2.219 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000893354594 583120789 /nfs/dbraw/zinc/12/07/89/583120789.db2.gz NREKTENSUDXVEU-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000893354594 583120791 /nfs/dbraw/zinc/12/07/91/583120791.db2.gz NREKTENSUDXVEU-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000222583449 583178895 /nfs/dbraw/zinc/17/88/95/583178895.db2.gz ZEYPPJADGYKWNT-AAEUAGOBSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000222583449 583178897 /nfs/dbraw/zinc/17/88/97/583178897.db2.gz ZEYPPJADGYKWNT-AAEUAGOBSA-N 2 2 236.334 2.050 20 0 BEADLP Fc1cccc(C2(C[NH2+]Cc3c[nH+]c[nH]3)CC2)c1 ZINC000894280094 583408081 /nfs/dbraw/zinc/40/80/81/583408081.db2.gz GYEPSYKEJYQSNX-UHFFFAOYSA-N 2 2 245.301 2.370 20 0 BEADLP C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894368507 583439563 /nfs/dbraw/zinc/43/95/63/583439563.db2.gz RSHFROXOXDKIDI-SMDDNHRTSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894446456 583460705 /nfs/dbraw/zinc/46/07/05/583460705.db2.gz RQCMKZRJBPDGHU-JSGCOSHPSA-N 2 2 232.371 2.256 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)Cc2ncc[nH]2)c[nH+]1 ZINC000894586723 583488843 /nfs/dbraw/zinc/48/88/43/583488843.db2.gz TVFTWLJDTQHRQW-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1ccc(CCC[N@H+](C)Cc2ncc[nH]2)c[nH+]1 ZINC000894586723 583488844 /nfs/dbraw/zinc/48/88/44/583488844.db2.gz TVFTWLJDTQHRQW-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP C[C@@H]1CC(CC[NH2+]Cc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000894685041 583506737 /nfs/dbraw/zinc/50/67/37/583506737.db2.gz UPHSYZVMXKJWOC-GHMZBOCLSA-N 2 2 237.347 2.093 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[NH+](C)C ZINC000894742246 583515687 /nfs/dbraw/zinc/51/56/87/583515687.db2.gz AIKJUBIPMJIQQG-RVMXOQNASA-N 2 2 210.365 2.105 20 0 BEADLP COC1CCC(C[NH2+]C(C)(C)C[NH+](C)C)CC1 ZINC000894810411 583523745 /nfs/dbraw/zinc/52/37/45/583523745.db2.gz GDDCSSCYIMTIAK-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1C ZINC000894862213 583535239 /nfs/dbraw/zinc/53/52/39/583535239.db2.gz UFUOLHPSCLFPOX-VXGBXAGGSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1C ZINC000894862213 583535240 /nfs/dbraw/zinc/53/52/40/583535240.db2.gz UFUOLHPSCLFPOX-VXGBXAGGSA-N 2 2 242.326 2.108 20 0 BEADLP Cc1nc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc[nH+]1 ZINC000857760917 588909927 /nfs/dbraw/zinc/90/99/27/588909927.db2.gz WYLMWZDSACQBJG-RYUDHWBXSA-N 2 2 246.358 2.070 20 0 BEADLP Fc1ccc(CC2([NH2+]Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000894914200 583554552 /nfs/dbraw/zinc/55/45/52/583554552.db2.gz LEEMNPRDWCTLCD-UHFFFAOYSA-N 2 2 245.301 2.414 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1C ZINC000882518667 583619125 /nfs/dbraw/zinc/61/91/25/583619125.db2.gz VPOCSPLWODGQKM-VXGBXAGGSA-N 2 2 248.374 2.234 20 0 BEADLP C[C@H](CC[NH2+]Cc1nc(Cl)cs1)[NH+](C)C ZINC000895291736 583637104 /nfs/dbraw/zinc/63/71/04/583637104.db2.gz CFKCFGJEWCFWNR-MRVPVSSYSA-N 2 2 247.795 2.226 20 0 BEADLP CSc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)o1 ZINC000895291581 583637118 /nfs/dbraw/zinc/63/71/18/583637118.db2.gz GGBRGROHBHVXFY-SNVBAGLBSA-N 2 2 242.388 2.431 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CSC3)n2c1 ZINC000895421313 583673134 /nfs/dbraw/zinc/67/31/34/583673134.db2.gz GHXOEEBWXUWRPC-UHFFFAOYSA-N 2 2 247.367 2.095 20 0 BEADLP FC1(F)CCC[C@H]1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895545570 583689340 /nfs/dbraw/zinc/68/93/40/583689340.db2.gz RUMAGSYMJBJSKL-VIFPVBQESA-N 2 2 229.274 2.325 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC000895670081 583706077 /nfs/dbraw/zinc/70/60/77/583706077.db2.gz BEPVVONHGLMUON-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC000895670081 583706078 /nfs/dbraw/zinc/70/60/78/583706078.db2.gz BEPVVONHGLMUON-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000895739972 583714443 /nfs/dbraw/zinc/71/44/43/583714443.db2.gz KXICZGRXNPYVLE-CMPLNLGQSA-N 2 2 246.358 2.167 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000895739972 583714445 /nfs/dbraw/zinc/71/44/45/583714445.db2.gz KXICZGRXNPYVLE-CMPLNLGQSA-N 2 2 246.358 2.167 20 0 BEADLP CCC1([NH+]2CCC2)CC[NH+](CC2(F)CC2)CC1 ZINC000895821631 583734642 /nfs/dbraw/zinc/73/46/42/583734642.db2.gz GHHOKJYICPMNCI-UHFFFAOYSA-N 2 2 240.366 2.439 20 0 BEADLP Cc1cc(NCC2CC[NH+](C)CC2)c[nH+]c1C ZINC000896020712 583764043 /nfs/dbraw/zinc/76/40/43/583764043.db2.gz CPZDLQQKAKSJMZ-UHFFFAOYSA-N 2 2 233.359 2.452 20 0 BEADLP CC[N@H+](CC[NH3+])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883437003 583810340 /nfs/dbraw/zinc/81/03/40/583810340.db2.gz HGAUTISPFLDPKS-LSDHHAIUSA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883437003 583810341 /nfs/dbraw/zinc/81/03/41/583810341.db2.gz HGAUTISPFLDPKS-LSDHHAIUSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)cn1 ZINC000896555941 583811549 /nfs/dbraw/zinc/81/15/49/583811549.db2.gz SKIMVAFFDBRXHJ-DZGCQCFKSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)cn1 ZINC000896555941 583811550 /nfs/dbraw/zinc/81/15/50/583811550.db2.gz SKIMVAFFDBRXHJ-DZGCQCFKSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000896555942 583811809 /nfs/dbraw/zinc/81/18/09/583811809.db2.gz SKIMVAFFDBRXHJ-HIFRSBDPSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000896555942 583811811 /nfs/dbraw/zinc/81/18/11/583811811.db2.gz SKIMVAFFDBRXHJ-HIFRSBDPSA-N 2 2 247.386 2.005 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000896555927 583812075 /nfs/dbraw/zinc/81/20/75/583812075.db2.gz SFECNPUGHGDLBH-AGIUHOORSA-N 2 2 208.349 2.167 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000896555927 583812076 /nfs/dbraw/zinc/81/20/76/583812076.db2.gz SFECNPUGHGDLBH-AGIUHOORSA-N 2 2 208.349 2.167 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCO[C@@H](C)CC2)c[nH+]1 ZINC000896585629 583815325 /nfs/dbraw/zinc/81/53/25/583815325.db2.gz TWPTXGTWIZFMHV-AWEZNQCLSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCO[C@@H](C)CC2)c[nH+]1 ZINC000896585629 583815326 /nfs/dbraw/zinc/81/53/26/583815326.db2.gz TWPTXGTWIZFMHV-AWEZNQCLSA-N 2 2 248.370 2.433 20 0 BEADLP CCn1c[nH+]c2c1CCN(c1cc[nH+]cc1C)C2 ZINC000896653250 583820747 /nfs/dbraw/zinc/82/07/47/583820747.db2.gz DBBXNBJCKFKOLA-UHFFFAOYSA-N 2 2 242.326 2.169 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000796766055 583881092 /nfs/dbraw/zinc/88/10/92/583881092.db2.gz XXGPRWYOACXNDJ-QLFBSQMISA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000796766055 583881093 /nfs/dbraw/zinc/88/10/93/583881093.db2.gz XXGPRWYOACXNDJ-QLFBSQMISA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000840725403 583934215 /nfs/dbraw/zinc/93/42/15/583934215.db2.gz AFLXCSBUCLNGSD-FQUUOJAGSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000840725403 583934217 /nfs/dbraw/zinc/93/42/17/583934217.db2.gz AFLXCSBUCLNGSD-FQUUOJAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccon1 ZINC000148630295 584019623 /nfs/dbraw/zinc/01/96/23/584019623.db2.gz WQEYXUMVQYMYFB-NWDGAFQWSA-N 2 2 237.347 2.075 20 0 BEADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccon1 ZINC000148629886 584019629 /nfs/dbraw/zinc/01/96/29/584019629.db2.gz WQEYXUMVQYMYFB-RYUDHWBXSA-N 2 2 237.347 2.075 20 0 BEADLP Cn1cc[nH+]c1CNc1ccc(C2CC2)c[nH+]1 ZINC000897711574 584042442 /nfs/dbraw/zinc/04/24/42/584042442.db2.gz DWKZJFDTHYZCDA-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797223 584049313 /nfs/dbraw/zinc/04/93/13/584049313.db2.gz FGKUMHXWDBSREG-IJLUTSLNSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797223 584049314 /nfs/dbraw/zinc/04/93/14/584049314.db2.gz FGKUMHXWDBSREG-IJLUTSLNSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797294 584049320 /nfs/dbraw/zinc/04/93/20/584049320.db2.gz FGKUMHXWDBSREG-WOPDTQHZSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797294 584049321 /nfs/dbraw/zinc/04/93/21/584049321.db2.gz FGKUMHXWDBSREG-WOPDTQHZSA-N 2 2 242.432 2.200 20 0 BEADLP CCn1c[nH+]cc1C[NH2+][C@@H](C)c1cncs1 ZINC000897930264 584061412 /nfs/dbraw/zinc/06/14/12/584061412.db2.gz LTJWQQNBVIBOQW-VIFPVBQESA-N 2 2 236.344 2.210 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897955133 584064961 /nfs/dbraw/zinc/06/49/61/584064961.db2.gz PUCYQDXABPRKTC-NXRJPMIISA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897955133 584064964 /nfs/dbraw/zinc/06/49/64/584064964.db2.gz PUCYQDXABPRKTC-NXRJPMIISA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898035181 584078928 /nfs/dbraw/zinc/07/89/28/584078928.db2.gz NQIODGFNTGDDPX-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898035181 584078929 /nfs/dbraw/zinc/07/89/29/584078929.db2.gz NQIODGFNTGDDPX-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccncc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308181 584109713 /nfs/dbraw/zinc/10/97/13/584109713.db2.gz RBASTBPLAQIECH-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1ccncc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308181 584109715 /nfs/dbraw/zinc/10/97/15/584109715.db2.gz RBASTBPLAQIECH-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1cnccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308039 584109991 /nfs/dbraw/zinc/10/99/91/584109991.db2.gz MNOLXYBTPRNTHZ-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1cnccc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308039 584109993 /nfs/dbraw/zinc/10/99/93/584109993.db2.gz MNOLXYBTPRNTHZ-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccco1 ZINC000898309473 584110426 /nfs/dbraw/zinc/11/04/26/584110426.db2.gz MPBTZIPMTDDGIC-UHFFFAOYSA-N 2 2 224.348 2.299 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccco1 ZINC000898309473 584110427 /nfs/dbraw/zinc/11/04/27/584110427.db2.gz MPBTZIPMTDDGIC-UHFFFAOYSA-N 2 2 224.348 2.299 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1C ZINC000898315899 584110711 /nfs/dbraw/zinc/11/07/11/584110711.db2.gz BSBDLEFAMGIKTJ-AGIUHOORSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CSC[C@H]1C ZINC000898314374 584110730 /nfs/dbraw/zinc/11/07/30/584110730.db2.gz VCTTVTUUBPDLPU-AGIUHOORSA-N 2 2 244.448 2.304 20 0 BEADLP CCCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858549390 588964814 /nfs/dbraw/zinc/96/48/14/588964814.db2.gz VUOOLAWDNIPBTR-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858549390 588964816 /nfs/dbraw/zinc/96/48/16/588964816.db2.gz VUOOLAWDNIPBTR-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1cc2[nH+]ccn2c(C2=CCC[NH2+]C2)c1 ZINC000899324522 584196733 /nfs/dbraw/zinc/19/67/33/584196733.db2.gz NGTJRCVIQNKOJN-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP Cc1cc(NCc2c[nH+]cn2C(C)C)nc(C)[nH+]1 ZINC000902169544 584534184 /nfs/dbraw/zinc/53/41/84/584534184.db2.gz FDFDZXHXMMPCAY-UHFFFAOYSA-N 2 2 245.330 2.483 20 0 BEADLP [NH3+]C1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000902412501 584576042 /nfs/dbraw/zinc/57/60/42/584576042.db2.gz BMWKXXPSXVTOSK-NSHDSACASA-N 2 2 238.281 2.033 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000902403014 584588345 /nfs/dbraw/zinc/58/83/45/584588345.db2.gz GGIPTMGMHODXGF-DGCLKSJQSA-N 2 2 234.343 2.016 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902435313 584596717 /nfs/dbraw/zinc/59/67/17/584596717.db2.gz BJEZECAQTUPINK-OBCWZRDOSA-N 2 2 230.355 2.389 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902439195 584596919 /nfs/dbraw/zinc/59/69/19/584596919.db2.gz QFRCRAVDNQVVQG-COLVAYQJSA-N 2 2 230.355 2.389 20 0 BEADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902438988 584597076 /nfs/dbraw/zinc/59/70/76/584597076.db2.gz PYZDXHCNIHTOMV-RRFJBIMHSA-N 2 2 230.355 2.389 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000902439991 584597199 /nfs/dbraw/zinc/59/71/99/584597199.db2.gz WIBLIULWHUPSCP-MRVWCRGKSA-N 2 2 248.395 2.096 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902441510 584597474 /nfs/dbraw/zinc/59/74/74/584597474.db2.gz DMTODTZOVGRJMB-ZLKJLUDKSA-N 2 2 218.344 2.245 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902441509 584597841 /nfs/dbraw/zinc/59/78/41/584597841.db2.gz DMTODTZOVGRJMB-LERXQTSPSA-N 2 2 218.344 2.245 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902478624 584603797 /nfs/dbraw/zinc/60/37/97/584603797.db2.gz VKMDYFUISRLXML-WAZAZEMKSA-N 2 2 246.354 2.239 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000902446580 584604156 /nfs/dbraw/zinc/60/41/56/584604156.db2.gz PJEPZLWNCMXVER-KGLIPLIRSA-N 2 2 248.345 2.401 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000902448363 584605380 /nfs/dbraw/zinc/60/53/80/584605380.db2.gz ZTLIFUVFRXQYDV-ZIAGYGMSSA-N 2 2 248.345 2.401 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccncc1 ZINC000902464098 584612025 /nfs/dbraw/zinc/61/20/25/584612025.db2.gz AELAFRVWAYTADB-ZOBORPQBSA-N 2 2 231.343 2.015 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902463649 584612104 /nfs/dbraw/zinc/61/21/04/584612104.db2.gz AHAFPTKZRZTKTH-XEZLXBQYSA-N 2 2 232.327 2.140 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464120 584612277 /nfs/dbraw/zinc/61/22/77/584612277.db2.gz AHAFPTKZRZTKTH-FOUMNBMASA-N 2 2 232.327 2.140 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465304 584613187 /nfs/dbraw/zinc/61/31/87/584613187.db2.gz FJDLFYOTOXLUFK-SPWCGHHHSA-N 2 2 246.329 2.296 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(F)c1 ZINC000902466486 584613797 /nfs/dbraw/zinc/61/37/97/584613797.db2.gz KFBUHVPPEBOTRL-GJQVQUKXSA-N 2 2 234.318 2.369 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902466546 584614089 /nfs/dbraw/zinc/61/40/89/584614089.db2.gz LTCVJXVJLDAFNR-ZGKBOVNRSA-N 2 2 246.329 2.296 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467885 584615069 /nfs/dbraw/zinc/61/50/69/584615069.db2.gz QXSMRNHBRGQYHY-DANNLKNASA-N 2 2 242.366 2.465 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902484273 584624965 /nfs/dbraw/zinc/62/49/65/584624965.db2.gz VDORXPBKEONWIO-JSGCOSHPSA-N 2 2 233.359 2.264 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902726066 584660943 /nfs/dbraw/zinc/66/09/43/584660943.db2.gz JDOLDAWCNPSLPP-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP c1cn(CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000902724844 584660967 /nfs/dbraw/zinc/66/09/67/584660967.db2.gz KAJYOEFOAUCEHH-VXGBXAGGSA-N 2 2 219.332 2.051 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902793941 584673421 /nfs/dbraw/zinc/67/34/21/584673421.db2.gz OYPUCVLISKNVQI-XJFOESAGSA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902793941 584673423 /nfs/dbraw/zinc/67/34/23/584673423.db2.gz OYPUCVLISKNVQI-XJFOESAGSA-N 2 2 234.387 2.391 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000903184124 584733434 /nfs/dbraw/zinc/73/34/34/584733434.db2.gz UTNYCEXNGMLPPC-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000903184124 584733436 /nfs/dbraw/zinc/73/34/36/584733436.db2.gz UTNYCEXNGMLPPC-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000903201621 584735374 /nfs/dbraw/zinc/73/53/74/584735374.db2.gz LAQUKXHBPRWTKY-UHFFFAOYSA-N 2 2 245.370 2.426 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCC3)CC[N@@H+]1C ZINC000903299402 584743405 /nfs/dbraw/zinc/74/34/05/584743405.db2.gz AVOCPOATLYUPQL-UTUOFQBUSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCC3)CC[N@H+]1C ZINC000903299402 584743406 /nfs/dbraw/zinc/74/34/06/584743406.db2.gz AVOCPOATLYUPQL-UTUOFQBUSA-N 2 2 208.349 2.001 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300382 584743475 /nfs/dbraw/zinc/74/34/75/584743475.db2.gz HPWNRCQBJHWXGI-RVMXOQNASA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300382 584743476 /nfs/dbraw/zinc/74/34/76/584743476.db2.gz HPWNRCQBJHWXGI-RVMXOQNASA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300335 584744212 /nfs/dbraw/zinc/74/42/12/584744212.db2.gz GXRMNDPOMAWMDR-RQJABVFESA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300335 584744214 /nfs/dbraw/zinc/74/42/14/584744214.db2.gz GXRMNDPOMAWMDR-RQJABVFESA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000903300901 584744595 /nfs/dbraw/zinc/74/45/95/584744595.db2.gz MVTCGYBJJZMHSC-RGDJUOJXSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000903300901 584744597 /nfs/dbraw/zinc/74/45/97/584744597.db2.gz MVTCGYBJJZMHSC-RGDJUOJXSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000903302136 584744683 /nfs/dbraw/zinc/74/46/83/584744683.db2.gz WTJDNLQCFGQKML-OBJOEFQTSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000903302136 584744685 /nfs/dbraw/zinc/74/46/85/584744685.db2.gz WTJDNLQCFGQKML-OBJOEFQTSA-N 2 2 233.359 2.133 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000903300969 584744757 /nfs/dbraw/zinc/74/47/57/584744757.db2.gz LVIBIKGKRYEQNW-XVSSEFHLSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000903300969 584744758 /nfs/dbraw/zinc/74/47/58/584744758.db2.gz LVIBIKGKRYEQNW-XVSSEFHLSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301032 584744925 /nfs/dbraw/zinc/74/49/25/584744925.db2.gz NIYAKNCYZWZSSJ-UTLUCORTSA-N 2 2 234.334 2.348 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301032 584744927 /nfs/dbraw/zinc/74/49/27/584744927.db2.gz NIYAKNCYZWZSSJ-UTLUCORTSA-N 2 2 234.334 2.348 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903302295 584745110 /nfs/dbraw/zinc/74/51/10/584745110.db2.gz YQKBOCKAMAHYLZ-SRVKXCTJSA-N 2 2 212.381 2.493 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903302295 584745111 /nfs/dbraw/zinc/74/51/11/584745111.db2.gz YQKBOCKAMAHYLZ-SRVKXCTJSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC000903303043 584745526 /nfs/dbraw/zinc/74/55/26/584745526.db2.gz JIIOXGIMGXEBDY-KMUNFCNLSA-N 2 2 248.345 2.495 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC000903303043 584745527 /nfs/dbraw/zinc/74/55/27/584745527.db2.gz JIIOXGIMGXEBDY-KMUNFCNLSA-N 2 2 248.345 2.495 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903342971 584752766 /nfs/dbraw/zinc/75/27/66/584752766.db2.gz BSJKJIKOPVXSOC-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903342971 584752767 /nfs/dbraw/zinc/75/27/67/584752767.db2.gz BSJKJIKOPVXSOC-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC1(C)Nc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903481790 584778231 /nfs/dbraw/zinc/77/82/31/584778231.db2.gz MVFWODKLEODGMN-RISCZKNCSA-N 2 2 245.370 2.273 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c(C)n1 ZINC000903560113 584782328 /nfs/dbraw/zinc/78/23/28/584782328.db2.gz TTWAUMJVLCADIY-AWEZNQCLSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c(C)n1 ZINC000903560113 584782329 /nfs/dbraw/zinc/78/23/29/584782329.db2.gz TTWAUMJVLCADIY-AWEZNQCLSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)c(CN2C[C@H]([NH3+])C(C)(C)C2)c(C)[nH+]1 ZINC000903560113 584782330 /nfs/dbraw/zinc/78/23/30/584782330.db2.gz TTWAUMJVLCADIY-AWEZNQCLSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1ccc(CC[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556155 584782841 /nfs/dbraw/zinc/78/28/41/584782841.db2.gz OTEVQEIDDQQSPB-CQSZACIVSA-N 2 2 232.371 2.207 20 0 BEADLP Cc1ccc(CC[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556155 584782842 /nfs/dbraw/zinc/78/28/42/584782842.db2.gz OTEVQEIDDQQSPB-CQSZACIVSA-N 2 2 232.371 2.207 20 0 BEADLP Cc1cc(C)[nH+]c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000903751664 584795677 /nfs/dbraw/zinc/79/56/77/584795677.db2.gz LGUGZRNWTWTULN-OKILXGFUSA-N 2 2 245.370 2.025 20 0 BEADLP CC[N@H+](Cc1ccccc1CF)[C@H]1CC[NH2+]C1 ZINC000903784419 584800466 /nfs/dbraw/zinc/80/04/66/584800466.db2.gz OGYWJNHPCJLODW-AWEZNQCLSA-N 2 2 236.334 2.340 20 0 BEADLP CC[N@@H+](Cc1ccccc1CF)[C@H]1CC[NH2+]C1 ZINC000903784419 584800468 /nfs/dbraw/zinc/80/04/68/584800468.db2.gz OGYWJNHPCJLODW-AWEZNQCLSA-N 2 2 236.334 2.340 20 0 BEADLP CC(C)OCCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903798274 584801696 /nfs/dbraw/zinc/80/16/96/584801696.db2.gz MYRUZCAIIJXGEO-KBPBESRZSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)OCCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903798274 584801697 /nfs/dbraw/zinc/80/16/97/584801697.db2.gz MYRUZCAIIJXGEO-KBPBESRZSA-N 2 2 240.391 2.005 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCCCCF ZINC000903799513 584801733 /nfs/dbraw/zinc/80/17/33/584801733.db2.gz CRCGPBPXQDLJNF-CHWSQXEVSA-N 2 2 228.355 2.330 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCCCCF ZINC000903799513 584801734 /nfs/dbraw/zinc/80/17/34/584801734.db2.gz CRCGPBPXQDLJNF-CHWSQXEVSA-N 2 2 228.355 2.330 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])nc1 ZINC000903801284 584802176 /nfs/dbraw/zinc/80/21/76/584802176.db2.gz MBLJUAPLXKLYHI-DZGCQCFKSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])nc1 ZINC000903801284 584802177 /nfs/dbraw/zinc/80/21/77/584802177.db2.gz MBLJUAPLXKLYHI-DZGCQCFKSA-N 2 2 245.370 2.093 20 0 BEADLP CC1CC(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903805656 584802788 /nfs/dbraw/zinc/80/27/88/584802788.db2.gz QUHIFJPVUKSMOS-CLRIEMFWSA-N 2 2 222.376 2.236 20 0 BEADLP CC1CC(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903805656 584802789 /nfs/dbraw/zinc/80/27/89/584802789.db2.gz QUHIFJPVUKSMOS-CLRIEMFWSA-N 2 2 222.376 2.236 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000903821023 584803818 /nfs/dbraw/zinc/80/38/18/584803818.db2.gz GAVRFVQOOZMXFD-CQSZACIVSA-N 2 2 232.371 2.337 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000903820902 584803889 /nfs/dbraw/zinc/80/38/89/584803889.db2.gz DSXSYVQWCCCUFE-GFCCVEGCSA-N 2 2 240.297 2.052 20 0 BEADLP COc1cccc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903856837 584810211 /nfs/dbraw/zinc/81/02/11/584810211.db2.gz BHYFAHMKAXYUJT-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903856837 584810212 /nfs/dbraw/zinc/81/02/12/584810212.db2.gz BHYFAHMKAXYUJT-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903862625 584813287 /nfs/dbraw/zinc/81/32/87/584813287.db2.gz AUHYGBABKRSADG-ZFWWWQNUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903862625 584813289 /nfs/dbraw/zinc/81/32/89/584813289.db2.gz AUHYGBABKRSADG-ZFWWWQNUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903862625 584813290 /nfs/dbraw/zinc/81/32/90/584813290.db2.gz AUHYGBABKRSADG-ZFWWWQNUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC(C)(C)[NH3+])c[nH+]1 ZINC000903939001 584824858 /nfs/dbraw/zinc/82/48/58/584824858.db2.gz AVBZTURBTXCLIC-UHFFFAOYSA-N 3 2 235.375 2.040 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(CCF)CC1 ZINC000903935693 584825676 /nfs/dbraw/zinc/82/56/76/584825676.db2.gz SITRKHYSZODDDO-JTQLQIEISA-N 2 2 238.297 2.041 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000903960378 584828269 /nfs/dbraw/zinc/82/82/69/584828269.db2.gz HIHMDQFIZFVTCU-NOZJJQNGSA-N 2 2 248.301 2.269 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000903960794 584828503 /nfs/dbraw/zinc/82/85/03/584828503.db2.gz ZXCQSPVLVXQTET-OIUHTZQUSA-N 2 2 234.318 2.036 20 0 BEADLP Cc1cc(NC[C@H]([NH3+])CC(F)F)c[nH+]c1C ZINC000903947740 584829380 /nfs/dbraw/zinc/82/93/80/584829380.db2.gz GMTJQNXPMOOFRA-SECBINFHSA-N 2 2 229.274 2.093 20 0 BEADLP Cc1cc(N[C@H]2C[NH2+]C[C@H](C)C2)c[nH+]c1C ZINC000903947584 584829795 /nfs/dbraw/zinc/82/97/95/584829795.db2.gz BMUPZFMJMCSUFD-BXKDBHETSA-N 2 2 219.332 2.108 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)c[nH+]c1C ZINC000903948214 584829871 /nfs/dbraw/zinc/82/98/71/584829871.db2.gz NNZMVZDHBMAXDW-RYUDHWBXSA-N 2 2 219.332 2.380 20 0 BEADLP F[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000903948550 584830150 /nfs/dbraw/zinc/83/01/50/584830150.db2.gz QNTKSSVHFJQUIQ-LSDHHAIUSA-N 2 2 248.345 2.354 20 0 BEADLP CC(C)([NH3+])C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000903948192 584830154 /nfs/dbraw/zinc/83/01/54/584830154.db2.gz MXERBSAPBBCSAI-OLZOCXBDSA-N 2 2 236.334 2.339 20 0 BEADLP Cc1cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c[nH+]c1C ZINC000903949009 584830211 /nfs/dbraw/zinc/83/02/11/584830211.db2.gz XZVVJPHHYJXUQR-MGPQQGTHSA-N 2 2 245.370 2.498 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954045 584831665 /nfs/dbraw/zinc/83/16/65/584831665.db2.gz OSVMZVCOFIXVGV-JTQLQIEISA-N 2 2 219.332 2.332 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903953707 584831722 /nfs/dbraw/zinc/83/17/22/584831722.db2.gz JLVOGBDVFVIKKY-NSHDSACASA-N 2 2 221.348 2.436 20 0 BEADLP CC1(C)C[N@H+](Cc2cccc3c2CCC3)C[C@H]1[NH3+] ZINC000903986624 584835597 /nfs/dbraw/zinc/83/55/97/584835597.db2.gz NRRIJGIPZFRQLZ-OAHLLOKOSA-N 2 2 244.382 2.344 20 0 BEADLP CC1(C)C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1[NH3+] ZINC000903986624 584835598 /nfs/dbraw/zinc/83/55/98/584835598.db2.gz NRRIJGIPZFRQLZ-OAHLLOKOSA-N 2 2 244.382 2.344 20 0 BEADLP C[C@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316833 584864136 /nfs/dbraw/zinc/86/41/36/584864136.db2.gz URZHCHJENXYXBV-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316833 584864137 /nfs/dbraw/zinc/86/41/37/584864137.db2.gz URZHCHJENXYXBV-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904353383 584869947 /nfs/dbraw/zinc/86/99/47/584869947.db2.gz LEODYFCZBNRQLW-OLZOCXBDSA-N 3 2 243.439 2.103 20 0 BEADLP CCc1cccc(NC2CC[NH+](CC[NH3+])CC2)c1 ZINC000904360286 584871683 /nfs/dbraw/zinc/87/16/83/584871683.db2.gz YYTGAYBAUCSPHQ-UHFFFAOYSA-N 2 2 247.386 2.084 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098249 585028672 /nfs/dbraw/zinc/02/86/72/585028672.db2.gz JYSHMLZERCRRKE-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098249 585028673 /nfs/dbraw/zinc/02/86/73/585028673.db2.gz JYSHMLZERCRRKE-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000750801912 585220003 /nfs/dbraw/zinc/22/00/03/585220003.db2.gz RQPRKSQNPHEERC-CQSZACIVSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000750801912 585220004 /nfs/dbraw/zinc/22/00/04/585220004.db2.gz RQPRKSQNPHEERC-CQSZACIVSA-N 2 2 242.407 2.002 20 0 BEADLP Cl/C=C\C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000767901085 585527908 /nfs/dbraw/zinc/52/79/08/585527908.db2.gz SOLHSAICXCQBER-RJRFIUFISA-N 2 2 225.723 2.342 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(C(F)F)C1 ZINC000768676659 585541675 /nfs/dbraw/zinc/54/16/75/585541675.db2.gz RDSPIIQLFGITAG-VOMCLLRMSA-N 2 2 246.345 2.494 20 0 BEADLP FC(F)C1CC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000768688656 585541813 /nfs/dbraw/zinc/54/18/13/585541813.db2.gz BRQWWNRAYVPQAR-MOENNCHZSA-N 2 2 244.329 2.104 20 0 BEADLP FC(F)C1CC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000768688656 585541814 /nfs/dbraw/zinc/54/18/14/585541814.db2.gz BRQWWNRAYVPQAR-MOENNCHZSA-N 2 2 244.329 2.104 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](Cc3ccoc3)C2)c[nH+]1 ZINC000769314200 585553521 /nfs/dbraw/zinc/55/35/21/585553521.db2.gz WFHLUBUHARHPPP-ZDUSSCGKSA-N 2 2 231.299 2.313 20 0 BEADLP c1cn([C@H]2CCC[N@H+](Cc3ccoc3)C2)c[nH+]1 ZINC000769314200 585553522 /nfs/dbraw/zinc/55/35/22/585553522.db2.gz WFHLUBUHARHPPP-ZDUSSCGKSA-N 2 2 231.299 2.313 20 0 BEADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccn1 ZINC000775445813 585678090 /nfs/dbraw/zinc/67/80/90/585678090.db2.gz JOOOHVQTEWUGGZ-AWEZNQCLSA-N 2 2 244.342 2.265 20 0 BEADLP C[C@H](C1CC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000777841426 585721144 /nfs/dbraw/zinc/72/11/44/585721144.db2.gz MJNAQGXRSIYUMK-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](C1CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000777841426 585721145 /nfs/dbraw/zinc/72/11/45/585721145.db2.gz MJNAQGXRSIYUMK-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](C1CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777842899 585721315 /nfs/dbraw/zinc/72/13/15/585721315.db2.gz NBRDFQXAZPTBJX-PWSUYJOCSA-N 2 2 219.332 2.388 20 0 BEADLP C[C@H](C1CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777842899 585721316 /nfs/dbraw/zinc/72/13/16/585721316.db2.gz NBRDFQXAZPTBJX-PWSUYJOCSA-N 2 2 219.332 2.388 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccoc1 ZINC000777921371 585723985 /nfs/dbraw/zinc/72/39/85/585723985.db2.gz ZQFLCLFCBZWGRS-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccoc1 ZINC000777921371 585723986 /nfs/dbraw/zinc/72/39/86/585723986.db2.gz ZQFLCLFCBZWGRS-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccoc1 ZINC000777921371 585723987 /nfs/dbraw/zinc/72/39/87/585723987.db2.gz ZQFLCLFCBZWGRS-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccoc1 ZINC000777921371 585723988 /nfs/dbraw/zinc/72/39/88/585723988.db2.gz ZQFLCLFCBZWGRS-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP CC(C)OC1CC([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000779166505 585746588 /nfs/dbraw/zinc/74/65/88/585746588.db2.gz QUOMSMFMTDWYGC-HSBZDZAISA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC1CC([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000779166505 585746589 /nfs/dbraw/zinc/74/65/89/585746589.db2.gz QUOMSMFMTDWYGC-HSBZDZAISA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C1CC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000782185626 585811185 /nfs/dbraw/zinc/81/11/85/585811185.db2.gz ZTRSUEZZPBNTFR-YPMHNXCESA-N 2 2 219.332 2.319 20 0 BEADLP C[C@H](C1CC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000782185626 585811186 /nfs/dbraw/zinc/81/11/86/585811186.db2.gz ZTRSUEZZPBNTFR-YPMHNXCESA-N 2 2 219.332 2.319 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@](C)(CO)C2CC2)c[nH+]1 ZINC000793052433 586008982 /nfs/dbraw/zinc/00/89/82/586008982.db2.gz UTHHOGJTROFJDL-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)co1 ZINC000793335998 586017056 /nfs/dbraw/zinc/01/70/56/586017056.db2.gz JKPRZPILJLGDHJ-UHFFFAOYSA-N 2 2 234.343 2.386 20 0 BEADLP Cl/C=C(\Cl)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859307992 589029907 /nfs/dbraw/zinc/02/99/07/589029907.db2.gz MZLMQTPPWHEKLZ-CLTKARDFSA-N 2 2 232.114 2.087 20 0 BEADLP Cl/C=C(\Cl)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859307992 589029909 /nfs/dbraw/zinc/02/99/09/589029909.db2.gz MZLMQTPPWHEKLZ-CLTKARDFSA-N 2 2 232.114 2.087 20 0 BEADLP C[N@@H+](C/C=C\Cl)CCC[NH+]1CCCC1 ZINC000799174979 586164451 /nfs/dbraw/zinc/16/44/51/586164451.db2.gz VHJYKRFRKQPPQY-XQRVVYSFSA-N 2 2 216.756 2.157 20 0 BEADLP C[N@H+](C/C=C\Cl)CCC[NH+]1CCCC1 ZINC000799174979 586164454 /nfs/dbraw/zinc/16/44/54/586164454.db2.gz VHJYKRFRKQPPQY-XQRVVYSFSA-N 2 2 216.756 2.157 20 0 BEADLP CC(C)C(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000808733298 586485517 /nfs/dbraw/zinc/48/55/17/586485517.db2.gz PFZVRHKXVMBRGU-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000808733298 586485518 /nfs/dbraw/zinc/48/55/18/586485518.db2.gz PFZVRHKXVMBRGU-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000808733298 586485519 /nfs/dbraw/zinc/48/55/19/586485519.db2.gz PFZVRHKXVMBRGU-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000808733298 586485520 /nfs/dbraw/zinc/48/55/20/586485520.db2.gz PFZVRHKXVMBRGU-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@@H](C)CO ZINC000816654025 586753215 /nfs/dbraw/zinc/75/32/15/586753215.db2.gz QPAPIJAGOBSJKR-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H](C)CO ZINC000816654025 586753216 /nfs/dbraw/zinc/75/32/16/586753216.db2.gz QPAPIJAGOBSJKR-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817907579 586836928 /nfs/dbraw/zinc/83/69/28/586836928.db2.gz FGRHOWMMXXQNSH-DZGCQCFKSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817907581 586837379 /nfs/dbraw/zinc/83/73/79/586837379.db2.gz FGRHOWMMXXQNSH-UKRRQHHQSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000817929044 586842600 /nfs/dbraw/zinc/84/26/00/586842600.db2.gz CUKWRQUOYNKPKU-GHMZBOCLSA-N 2 2 239.750 2.013 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccnc(Cl)c1 ZINC000817941248 586845146 /nfs/dbraw/zinc/84/51/46/586845146.db2.gz OQFAQPCDLYPNDJ-GXSJLCMTSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccnc(Cl)c1 ZINC000817941251 586845691 /nfs/dbraw/zinc/84/56/91/586845691.db2.gz OQFAQPCDLYPNDJ-ONGXEEELSA-N 2 2 239.750 2.138 20 0 BEADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000817944612 586846635 /nfs/dbraw/zinc/84/66/35/586846635.db2.gz IBRCYZCCRLRMQJ-CMPLNLGQSA-N 2 2 222.307 2.147 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817953181 586848615 /nfs/dbraw/zinc/84/86/15/586848615.db2.gz WPDHDUBQWOIFNR-DZGCQCFKSA-N 2 2 230.355 2.324 20 0 BEADLP CC(C)c1nc(N2CC[C@H]([NH+](C)C)[C@@H]2C)cc[nH+]1 ZINC000820596302 587057749 /nfs/dbraw/zinc/05/77/49/587057749.db2.gz SVSQTYFRGXUCIO-RYUDHWBXSA-N 2 2 248.374 2.129 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000826868677 587364598 /nfs/dbraw/zinc/36/45/98/587364598.db2.gz VRMSLTSMWBQJLX-HSOILSAZSA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000826868677 587364599 /nfs/dbraw/zinc/36/45/99/587364599.db2.gz VRMSLTSMWBQJLX-HSOILSAZSA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc[nH+]c1 ZINC000828109524 587419685 /nfs/dbraw/zinc/41/96/85/587419685.db2.gz KGFGUFOGCCYSHQ-GFCCVEGCSA-N 2 2 207.321 2.146 20 0 BEADLP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc[nH+]c1 ZINC000828109524 587419687 /nfs/dbraw/zinc/41/96/87/587419687.db2.gz KGFGUFOGCCYSHQ-GFCCVEGCSA-N 2 2 207.321 2.146 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000834566072 587759610 /nfs/dbraw/zinc/75/96/10/587759610.db2.gz BCMXTKWOWMPEJR-INIZCTEOSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000834566072 587759611 /nfs/dbraw/zinc/75/96/11/587759611.db2.gz BCMXTKWOWMPEJR-INIZCTEOSA-N 2 2 244.382 2.228 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000841018020 587935240 /nfs/dbraw/zinc/93/52/40/587935240.db2.gz ADPOHKSHDPOXKI-KBPBESRZSA-N 2 2 247.386 2.244 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000841018020 587935241 /nfs/dbraw/zinc/93/52/41/587935241.db2.gz ADPOHKSHDPOXKI-KBPBESRZSA-N 2 2 247.386 2.244 20 0 BEADLP c1ccc2ncc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2c1 ZINC000841037100 587937977 /nfs/dbraw/zinc/93/79/77/587937977.db2.gz YPQSFHLOUAALCX-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCCCCCC2)C1 ZINC000841078552 587944576 /nfs/dbraw/zinc/94/45/76/587944576.db2.gz ITAYGBXROBXYAN-AAEUAGOBSA-N 2 2 228.355 2.389 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000841104841 587946413 /nfs/dbraw/zinc/94/64/13/587946413.db2.gz UUUHAIAAYCSDCB-UHFFFAOYSA-N 2 2 241.766 2.085 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000841104841 587946414 /nfs/dbraw/zinc/94/64/14/587946414.db2.gz UUUHAIAAYCSDCB-UHFFFAOYSA-N 2 2 241.766 2.085 20 0 BEADLP COc1cccc2cc(C[N@H+](C)[C@H](C)C[NH3+])oc21 ZINC000843051174 588077073 /nfs/dbraw/zinc/07/70/73/588077073.db2.gz FLPFCGXDBNEJST-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP COc1cccc2cc(C[N@@H+](C)[C@H](C)C[NH3+])oc21 ZINC000843051174 588077075 /nfs/dbraw/zinc/07/70/75/588077075.db2.gz FLPFCGXDBNEJST-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@H+](C)C(C)(C)C)s1 ZINC000843432916 588109132 /nfs/dbraw/zinc/10/91/32/588109132.db2.gz NPMZKFCSJAXSLC-UHFFFAOYSA-N 2 2 241.404 2.435 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C(C)(C)C)s1 ZINC000843432916 588109133 /nfs/dbraw/zinc/10/91/33/588109133.db2.gz NPMZKFCSJAXSLC-UHFFFAOYSA-N 2 2 241.404 2.435 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000844328922 588185322 /nfs/dbraw/zinc/18/53/22/588185322.db2.gz YSQQLXDQVRVWQE-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000844328922 588185325 /nfs/dbraw/zinc/18/53/25/588185325.db2.gz YSQQLXDQVRVWQE-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000845935782 588250752 /nfs/dbraw/zinc/25/07/52/588250752.db2.gz SUHBVRNBOJCHGC-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000845935782 588250753 /nfs/dbraw/zinc/25/07/53/588250753.db2.gz SUHBVRNBOJCHGC-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CC(C)C[N@H+](C)CCCN[C@@H](C)c1[nH]cc[nH+]1 ZINC000846178870 588259203 /nfs/dbraw/zinc/25/92/03/588259203.db2.gz YGTSKLUONIWPIB-LBPRGKRZSA-N 2 2 238.379 2.038 20 0 BEADLP CC(C)C[N@@H+](C)CCCN[C@@H](C)c1[nH]cc[nH+]1 ZINC000846178870 588259204 /nfs/dbraw/zinc/25/92/04/588259204.db2.gz YGTSKLUONIWPIB-LBPRGKRZSA-N 2 2 238.379 2.038 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000846178870 588259205 /nfs/dbraw/zinc/25/92/05/588259205.db2.gz YGTSKLUONIWPIB-LBPRGKRZSA-N 2 2 238.379 2.038 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000846178870 588259206 /nfs/dbraw/zinc/25/92/06/588259206.db2.gz YGTSKLUONIWPIB-LBPRGKRZSA-N 2 2 238.379 2.038 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000847089855 588305725 /nfs/dbraw/zinc/30/57/25/588305725.db2.gz LJZPEALHZUSGGI-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000848530871 588392873 /nfs/dbraw/zinc/39/28/73/588392873.db2.gz HVENQHILCKQXJS-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000848530871 588392875 /nfs/dbraw/zinc/39/28/75/588392875.db2.gz HVENQHILCKQXJS-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)c(C)o1 ZINC000848557389 588397309 /nfs/dbraw/zinc/39/73/09/588397309.db2.gz JEFPAZCUMDBLDT-UHFFFAOYSA-N 2 2 222.332 2.079 20 0 BEADLP COCC1(C[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000848923341 588421397 /nfs/dbraw/zinc/42/13/97/588421397.db2.gz JSVILVQJBJGWDE-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000850438329 588546424 /nfs/dbraw/zinc/54/64/24/588546424.db2.gz DZLNSCDAJKFGSY-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000850438329 588546425 /nfs/dbraw/zinc/54/64/25/588546425.db2.gz DZLNSCDAJKFGSY-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC(CF)(CF)C1 ZINC000850440238 588546585 /nfs/dbraw/zinc/54/65/85/588546585.db2.gz YWEUKUULTBLZTD-LLVKDONJSA-N 2 2 246.345 2.148 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC(CF)(CF)C1 ZINC000850440238 588546588 /nfs/dbraw/zinc/54/65/88/588546588.db2.gz YWEUKUULTBLZTD-LLVKDONJSA-N 2 2 246.345 2.148 20 0 BEADLP COC1([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)CCC1 ZINC000850438569 588546667 /nfs/dbraw/zinc/54/66/67/588546667.db2.gz HPUMXJBAYKTSLF-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)CCC1 ZINC000850438569 588546669 /nfs/dbraw/zinc/54/66/69/588546669.db2.gz HPUMXJBAYKTSLF-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000850556143 588559705 /nfs/dbraw/zinc/55/97/05/588559705.db2.gz QYVCWWSWJAWRQA-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000850556143 588559707 /nfs/dbraw/zinc/55/97/07/588559707.db2.gz QYVCWWSWJAWRQA-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC(F)(F)C1 ZINC000862295648 589200849 /nfs/dbraw/zinc/20/08/49/589200849.db2.gz PRIGHKNVMCHEQE-MNOVXSKESA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC(F)(F)C1 ZINC000862295648 589200850 /nfs/dbraw/zinc/20/08/50/589200850.db2.gz PRIGHKNVMCHEQE-MNOVXSKESA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)nc1 ZINC000863546848 589298444 /nfs/dbraw/zinc/29/84/44/589298444.db2.gz NLPJQUMMTDQJTJ-ATZCPNFKSA-N 2 2 239.750 2.136 20 0 BEADLP CC[N@H+](CC[NH3+])CCOC1CCCCCC1 ZINC000863551078 589298647 /nfs/dbraw/zinc/29/86/47/589298647.db2.gz IEWWQUPHAYNEAU-UHFFFAOYSA-N 2 2 228.380 2.006 20 0 BEADLP CC[N@@H+](CC[NH3+])CCOC1CCCCCC1 ZINC000863551078 589298649 /nfs/dbraw/zinc/29/86/49/589298649.db2.gz IEWWQUPHAYNEAU-UHFFFAOYSA-N 2 2 228.380 2.006 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCCCC1(C)C ZINC000863567790 589299983 /nfs/dbraw/zinc/29/99/83/589299983.db2.gz GWFIWHGPBBFLRB-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCCC1(C)C ZINC000863567790 589299984 /nfs/dbraw/zinc/29/99/84/589299984.db2.gz GWFIWHGPBBFLRB-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCOC1CCCCCC1 ZINC000863570217 589300779 /nfs/dbraw/zinc/30/07/79/589300779.db2.gz STDOSJJABLYGGG-LBPRGKRZSA-N 2 2 228.380 2.005 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCOC1CCCCCC1 ZINC000863570217 589300780 /nfs/dbraw/zinc/30/07/80/589300780.db2.gz STDOSJJABLYGGG-LBPRGKRZSA-N 2 2 228.380 2.005 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000863651692 589307384 /nfs/dbraw/zinc/30/73/84/589307384.db2.gz GSDNFSNWLQMXED-OIBJUYFYSA-N 2 2 230.764 2.242 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccn1 ZINC000864055315 589336062 /nfs/dbraw/zinc/33/60/62/589336062.db2.gz NAQDXLJMDPCYOR-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCC2)C[N@@H+]1C1CC1 ZINC000120500888 589422336 /nfs/dbraw/zinc/42/23/36/589422336.db2.gz WAEFNYQRFRZJFF-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCC2)C[N@H+]1C1CC1 ZINC000120500888 589422337 /nfs/dbraw/zinc/42/23/37/589422337.db2.gz WAEFNYQRFRZJFF-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000865696624 589456823 /nfs/dbraw/zinc/45/68/23/589456823.db2.gz HXAYFGRUVIAIJD-NEPJUHHUSA-N 2 2 237.322 2.200 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000866216511 589481307 /nfs/dbraw/zinc/48/13/07/589481307.db2.gz SNXNFZBXMYJCPX-CQSZACIVSA-N 2 2 243.354 2.412 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659305 589508297 /nfs/dbraw/zinc/50/82/97/589508297.db2.gz JSMCCJHEQQTPKO-JQWIXIFHSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659305 589508299 /nfs/dbraw/zinc/50/82/99/589508299.db2.gz JSMCCJHEQQTPKO-JQWIXIFHSA-N 2 2 249.358 2.111 20 0 BEADLP C(CC1CCC1)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866726291 589516478 /nfs/dbraw/zinc/51/64/78/589516478.db2.gz XWDDBTKRPTVYMD-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CCC1)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866726291 589516479 /nfs/dbraw/zinc/51/64/79/589516479.db2.gz XWDDBTKRPTVYMD-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+](CCc1ccccc1F)CCn1cc[nH+]c1 ZINC000019146242 589802153 /nfs/dbraw/zinc/80/21/53/589802153.db2.gz MGADQEDRFOJKRH-UHFFFAOYSA-N 2 2 247.317 2.197 20 0 BEADLP C[N@H+](CCc1ccccc1F)CCn1cc[nH+]c1 ZINC000019146242 589802157 /nfs/dbraw/zinc/80/21/57/589802157.db2.gz MGADQEDRFOJKRH-UHFFFAOYSA-N 2 2 247.317 2.197 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(O)ccc1F ZINC000872016698 589855955 /nfs/dbraw/zinc/85/59/55/589855955.db2.gz NGIKGQHJPGSOBQ-JTQLQIEISA-N 2 2 240.322 2.134 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(O)ccc1F ZINC000872018232 589856846 /nfs/dbraw/zinc/85/68/46/589856846.db2.gz KBNUNVXNSULTJU-SNVBAGLBSA-N 2 2 249.289 2.079 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(O)c1F ZINC000872018987 589857022 /nfs/dbraw/zinc/85/70/22/589857022.db2.gz RHCQPVUIXNFQJC-JTQLQIEISA-N 2 2 249.289 2.079 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872031527 589857808 /nfs/dbraw/zinc/85/78/08/589857808.db2.gz PXMSBGKKNKLSQX-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872031527 589857810 /nfs/dbraw/zinc/85/78/10/589857810.db2.gz PXMSBGKKNKLSQX-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]cc1C1CC1 ZINC000872458387 589941315 /nfs/dbraw/zinc/94/13/15/589941315.db2.gz YTIQMBGQOFLEID-UHFFFAOYSA-N 2 2 228.299 2.319 20 0 BEADLP CC(C)Cc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000872772991 589967663 /nfs/dbraw/zinc/96/76/63/589967663.db2.gz VHRLRXHKEAYUQL-NWDGAFQWSA-N 2 2 248.374 2.228 20 0 BEADLP C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CC[NH2+]CC1 ZINC000872783627 589970757 /nfs/dbraw/zinc/97/07/57/589970757.db2.gz CRAVLKRNSCOPKW-JTQLQIEISA-N 2 2 246.358 2.154 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccc2ncccc12)[NH+](C)C ZINC000873041568 589980844 /nfs/dbraw/zinc/98/08/44/589980844.db2.gz BGCAOYLDVUEFLK-LBPRGKRZSA-N 2 2 243.354 2.275 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1c[nH+]ccc1N ZINC000873239029 590005840 /nfs/dbraw/zinc/00/58/40/590005840.db2.gz MOIFLCUSZNIVOD-XHVZSJERSA-N 2 2 237.322 2.425 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000873293504 590023410 /nfs/dbraw/zinc/02/34/10/590023410.db2.gz LHIYVQBWAOCWPC-CVEARBPZSA-N 2 2 244.382 2.479 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873293513 590023582 /nfs/dbraw/zinc/02/35/82/590023582.db2.gz LPODQHZUSLGNHL-BLLLJJGKSA-N 2 2 244.382 2.479 20 0 BEADLP CCOC1CC([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000124780367 590084602 /nfs/dbraw/zinc/08/46/02/590084602.db2.gz CIHLFMQWCVWIGU-HSBZDZAISA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000125586628 590171950 /nfs/dbraw/zinc/17/19/50/590171950.db2.gz AIWHJZRENOYRIG-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000125586628 590171951 /nfs/dbraw/zinc/17/19/51/590171951.db2.gz AIWHJZRENOYRIG-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000125725236 590185153 /nfs/dbraw/zinc/18/51/53/590185153.db2.gz BMEPYMWGIOTUSI-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000125725236 590185154 /nfs/dbraw/zinc/18/51/54/590185154.db2.gz BMEPYMWGIOTUSI-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C1CCCC1 ZINC000126169107 590246151 /nfs/dbraw/zinc/24/61/51/590246151.db2.gz MZBYMABZDXVOFG-UHFFFAOYSA-N 2 2 204.317 2.465 20 0 BEADLP ClC1(Cl)C[C@@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000876885579 590253621 /nfs/dbraw/zinc/25/36/21/590253621.db2.gz PIYGBOHSQZJUFY-SECBINFHSA-N 2 2 248.157 2.057 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876928793 590258106 /nfs/dbraw/zinc/25/81/06/590258106.db2.gz CTGAREXYUNZKHK-DTWKUNHWSA-N 2 2 248.157 2.055 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000876957010 590260684 /nfs/dbraw/zinc/26/06/84/590260684.db2.gz QNZNRKUHOOTNIS-SRVKXCTJSA-N 2 2 246.345 2.494 20 0 BEADLP Cc1cc(C)cc(CC[NH2+]C[C@H](C)[NH+](C)C)c1 ZINC000877149640 590292507 /nfs/dbraw/zinc/29/25/07/590292507.db2.gz FGVTXYUMJVMFEJ-AWEZNQCLSA-N 2 2 234.387 2.386 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c(C)o1 ZINC000877744421 590411455 /nfs/dbraw/zinc/41/14/55/590411455.db2.gz SSIZDARIOFRBIY-HIFRSBDPSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(C)o1 ZINC000877744421 590411457 /nfs/dbraw/zinc/41/14/57/590411457.db2.gz SSIZDARIOFRBIY-HIFRSBDPSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744421 590411458 /nfs/dbraw/zinc/41/14/58/590411458.db2.gz SSIZDARIOFRBIY-HIFRSBDPSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744421 590411459 /nfs/dbraw/zinc/41/14/59/590411459.db2.gz SSIZDARIOFRBIY-HIFRSBDPSA-N 2 2 248.370 2.422 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744995 590412841 /nfs/dbraw/zinc/41/28/41/590412841.db2.gz YWORJTGJFNIIPO-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744995 590412843 /nfs/dbraw/zinc/41/28/43/590412843.db2.gz YWORJTGJFNIIPO-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744995 590412846 /nfs/dbraw/zinc/41/28/46/590412846.db2.gz YWORJTGJFNIIPO-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744995 590412848 /nfs/dbraw/zinc/41/28/48/590412848.db2.gz YWORJTGJFNIIPO-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[C@H](C[NH2+]C1CCCC1)Cn1cc[nH+]c1 ZINC000126852934 590474086 /nfs/dbraw/zinc/47/40/86/590474086.db2.gz NNPWNGNAZDZMLH-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP C=C/C=C\CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878301828 590538325 /nfs/dbraw/zinc/53/83/25/590538325.db2.gz CLZJPRDGVDHDKE-DSYXLKISSA-N 2 2 231.343 2.342 20 0 BEADLP C=C/C=C\CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878301828 590538327 /nfs/dbraw/zinc/53/83/27/590538327.db2.gz CLZJPRDGVDHDKE-DSYXLKISSA-N 2 2 231.343 2.342 20 0 BEADLP C[N@H+](CCCC1CC1)CCCn1cc[nH+]c1 ZINC000878318685 590543871 /nfs/dbraw/zinc/54/38/71/590543871.db2.gz BXZUYEUHXKBJEA-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[N@@H+](CCCC1CC1)CCCn1cc[nH+]c1 ZINC000878318685 590543873 /nfs/dbraw/zinc/54/38/73/590543873.db2.gz BXZUYEUHXKBJEA-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP ClC1=CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000878792337 590623350 /nfs/dbraw/zinc/62/33/50/590623350.db2.gz OWQFQXFCNATCRZ-UHFFFAOYSA-N 2 2 225.723 2.102 20 0 BEADLP ClC1=CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000878792337 590623352 /nfs/dbraw/zinc/62/33/52/590623352.db2.gz OWQFQXFCNATCRZ-UHFFFAOYSA-N 2 2 225.723 2.102 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579775 590817235 /nfs/dbraw/zinc/81/72/35/590817235.db2.gz PILBVYNFXARDOQ-VHSXEESVSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579775 590817237 /nfs/dbraw/zinc/81/72/37/590817237.db2.gz PILBVYNFXARDOQ-VHSXEESVSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579775 590817241 /nfs/dbraw/zinc/81/72/41/590817241.db2.gz PILBVYNFXARDOQ-VHSXEESVSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579775 590817244 /nfs/dbraw/zinc/81/72/44/590817244.db2.gz PILBVYNFXARDOQ-VHSXEESVSA-N 2 2 249.185 2.331 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131693 590933459 /nfs/dbraw/zinc/93/34/59/590933459.db2.gz LOEYSOMBIXCIEV-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131693 590933462 /nfs/dbraw/zinc/93/34/62/590933462.db2.gz LOEYSOMBIXCIEV-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131693 590933465 /nfs/dbraw/zinc/93/34/65/590933465.db2.gz LOEYSOMBIXCIEV-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880131693 590933468 /nfs/dbraw/zinc/93/34/68/590933468.db2.gz LOEYSOMBIXCIEV-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2[C@@H]1C=CCCC1 ZINC000880134762 590937459 /nfs/dbraw/zinc/93/74/59/590937459.db2.gz VUOPWBWAQTYGOU-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2[C@@H]1C=CCCC1 ZINC000880134762 590937462 /nfs/dbraw/zinc/93/74/62/590937462.db2.gz VUOPWBWAQTYGOU-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2[C@@H]1C=CCCC1 ZINC000880134762 590937464 /nfs/dbraw/zinc/93/74/64/590937464.db2.gz VUOPWBWAQTYGOU-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1C=CCCC1 ZINC000880134762 590937467 /nfs/dbraw/zinc/93/74/67/590937467.db2.gz VUOPWBWAQTYGOU-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C=C/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140073 590940094 /nfs/dbraw/zinc/94/00/94/590940094.db2.gz DNVVVISXAZUGJW-KOABKASLSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140073 590940095 /nfs/dbraw/zinc/94/00/95/590940095.db2.gz DNVVVISXAZUGJW-KOABKASLSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140073 590940097 /nfs/dbraw/zinc/94/00/97/590940097.db2.gz DNVVVISXAZUGJW-KOABKASLSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140073 590940099 /nfs/dbraw/zinc/94/00/99/590940099.db2.gz DNVVVISXAZUGJW-KOABKASLSA-N 2 2 220.360 2.287 20 0 BEADLP CC(C)SCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140830 590941250 /nfs/dbraw/zinc/94/12/50/590941250.db2.gz DGDBZRCPQWJYSK-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140830 590941253 /nfs/dbraw/zinc/94/12/53/590941253.db2.gz DGDBZRCPQWJYSK-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140830 590941256 /nfs/dbraw/zinc/94/12/56/590941256.db2.gz DGDBZRCPQWJYSK-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140830 590941259 /nfs/dbraw/zinc/94/12/59/590941259.db2.gz DGDBZRCPQWJYSK-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCC1 ZINC000880143012 590943811 /nfs/dbraw/zinc/94/38/11/590943811.db2.gz XJSSLWWMHQSEMZ-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCC1 ZINC000880143012 590943815 /nfs/dbraw/zinc/94/38/15/590943815.db2.gz XJSSLWWMHQSEMZ-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCC1 ZINC000880143012 590943816 /nfs/dbraw/zinc/94/38/16/590943816.db2.gz XJSSLWWMHQSEMZ-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCC1 ZINC000880143012 590943820 /nfs/dbraw/zinc/94/38/20/590943820.db2.gz XJSSLWWMHQSEMZ-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)ccn1 ZINC000880143162 590944440 /nfs/dbraw/zinc/94/44/40/590944440.db2.gz YTDBHDUPUMYOFU-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)ccn1 ZINC000880143162 590944444 /nfs/dbraw/zinc/94/44/44/590944444.db2.gz YTDBHDUPUMYOFU-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)ccn1 ZINC000880143162 590944448 /nfs/dbraw/zinc/94/44/48/590944448.db2.gz YTDBHDUPUMYOFU-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)ccn1 ZINC000880143162 590944449 /nfs/dbraw/zinc/94/44/49/590944449.db2.gz YTDBHDUPUMYOFU-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](C/C=C/Cl)CC1 ZINC000880470506 591048613 /nfs/dbraw/zinc/04/86/13/591048613.db2.gz KRYLPUDAXDYTKF-QHHAFSJGSA-N 2 2 228.767 2.299 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000211491444 591177255 /nfs/dbraw/zinc/17/72/55/591177255.db2.gz ZTHHDIVOPLDQQO-DOMZBBRYSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000211491444 591177260 /nfs/dbraw/zinc/17/72/60/591177260.db2.gz ZTHHDIVOPLDQQO-DOMZBBRYSA-N 2 2 230.355 2.401 20 0 BEADLP Cc1[nH+]cnc(NCC(C)(C)C[NH+](C)C)c1C ZINC000881742949 591268385 /nfs/dbraw/zinc/26/83/85/591268385.db2.gz HEVUHKBRQMTGLO-UHFFFAOYSA-N 2 2 236.363 2.093 20 0 BEADLP CC[NH+](CC)CCCNc1nc[nH+]c(C)c1C ZINC000881741698 591268868 /nfs/dbraw/zinc/26/88/68/591268868.db2.gz PSDOZUQWPRPIRJ-UHFFFAOYSA-N 2 2 236.363 2.237 20 0 BEADLP Cc1[nH+]cnc(NCCC[N@@H+](C)C(C)C)c1C ZINC000881802917 591272007 /nfs/dbraw/zinc/27/20/07/591272007.db2.gz IBEMNHLZSWVIDH-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP Cc1[nH+]cnc(NCCC[N@H+](C)C(C)C)c1C ZINC000881802917 591272009 /nfs/dbraw/zinc/27/20/09/591272009.db2.gz IBEMNHLZSWVIDH-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000881815657 591272985 /nfs/dbraw/zinc/27/29/85/591272985.db2.gz UEXKGMJQGZISOB-QWHCGFSZSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000881815657 591272987 /nfs/dbraw/zinc/27/29/87/591272987.db2.gz UEXKGMJQGZISOB-QWHCGFSZSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000881815658 591273365 /nfs/dbraw/zinc/27/33/65/591273365.db2.gz UEXKGMJQGZISOB-STQMWFEESA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000881815658 591273366 /nfs/dbraw/zinc/27/33/66/591273366.db2.gz UEXKGMJQGZISOB-STQMWFEESA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000882263556 591322659 /nfs/dbraw/zinc/32/26/59/591322659.db2.gz HULIDPFOSDAKHC-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1C ZINC000882518665 591381497 /nfs/dbraw/zinc/38/14/97/591381497.db2.gz VPOCSPLWODGQKM-NWDGAFQWSA-N 2 2 248.374 2.234 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249511 591590935 /nfs/dbraw/zinc/59/09/35/591590935.db2.gz IXHRYRQFRRSYTD-AAEUAGOBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249511 591590940 /nfs/dbraw/zinc/59/09/40/591590940.db2.gz IXHRYRQFRRSYTD-AAEUAGOBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883266019 591600916 /nfs/dbraw/zinc/60/09/16/591600916.db2.gz QFPOZJYONYKGHC-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883266019 591600919 /nfs/dbraw/zinc/60/09/19/591600919.db2.gz QFPOZJYONYKGHC-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000883267450 591601169 /nfs/dbraw/zinc/60/11/69/591601169.db2.gz FNZHTLYGMIPICY-VSYHDTTKSA-N 2 2 220.360 2.191 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000883267450 591601172 /nfs/dbraw/zinc/60/11/72/591601172.db2.gz FNZHTLYGMIPICY-VSYHDTTKSA-N 2 2 220.360 2.191 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000883355072 591626566 /nfs/dbraw/zinc/62/65/66/591626566.db2.gz IJYPPHIFSIRBDP-OTTFEQOBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000883355072 591626568 /nfs/dbraw/zinc/62/65/68/591626568.db2.gz IJYPPHIFSIRBDP-OTTFEQOBSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883414867 591652824 /nfs/dbraw/zinc/65/28/24/591652824.db2.gz HXPMOAGRJKJQEB-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883414867 591652828 /nfs/dbraw/zinc/65/28/28/591652828.db2.gz HXPMOAGRJKJQEB-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883417545 591653102 /nfs/dbraw/zinc/65/31/02/591653102.db2.gz DWSWSEZHJHVEGH-SNPRPXQTSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883417545 591653105 /nfs/dbraw/zinc/65/31/05/591653105.db2.gz DWSWSEZHJHVEGH-SNPRPXQTSA-N 2 2 248.370 2.186 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883418135 591654276 /nfs/dbraw/zinc/65/42/76/591654276.db2.gz YOLZRQINHATEOF-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883418135 591654278 /nfs/dbraw/zinc/65/42/78/591654278.db2.gz YOLZRQINHATEOF-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438485 591659846 /nfs/dbraw/zinc/65/98/46/591659846.db2.gz UIVHTCINBGANIO-VWYCJHECSA-N 2 2 232.318 2.233 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438485 591659850 /nfs/dbraw/zinc/65/98/50/591659850.db2.gz UIVHTCINBGANIO-VWYCJHECSA-N 2 2 232.318 2.233 20 0 BEADLP C[N@H+](CC[NH3+])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883432850 591663063 /nfs/dbraw/zinc/66/30/63/591663063.db2.gz BRLSVHJQLHOZCW-GJZGRUSLSA-N 2 2 248.370 2.187 20 0 BEADLP C[N@@H+](CC[NH3+])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000883432850 591663067 /nfs/dbraw/zinc/66/30/67/591663067.db2.gz BRLSVHJQLHOZCW-GJZGRUSLSA-N 2 2 248.370 2.187 20 0 BEADLP C=C/C=C/CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435487 591665598 /nfs/dbraw/zinc/66/55/98/591665598.db2.gz UPLRZILSFVKDOE-ONEGZZNKSA-N 2 2 220.360 2.322 20 0 BEADLP C=C/C=C/CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000883435487 591665601 /nfs/dbraw/zinc/66/56/01/591665601.db2.gz UPLRZILSFVKDOE-ONEGZZNKSA-N 2 2 220.360 2.322 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883438483 591667676 /nfs/dbraw/zinc/66/76/76/591667676.db2.gz UIVHTCINBGANIO-MXWKQRLJSA-N 2 2 232.318 2.233 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1scnc1Cl ZINC000883441509 591669103 /nfs/dbraw/zinc/66/91/03/591669103.db2.gz QGNKSFJMUHEJJR-SFYZADRCSA-N 2 2 245.779 2.012 20 0 BEADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC000883441526 591669432 /nfs/dbraw/zinc/66/94/32/591669432.db2.gz QROYAXMRLJRTHR-YUMQZZPRSA-N 2 2 245.779 2.012 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)o1 ZINC000883442297 591669439 /nfs/dbraw/zinc/66/94/39/591669439.db2.gz IMNHMCDISBQXIP-GHMZBOCLSA-N 2 2 237.347 2.013 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000883450390 591671196 /nfs/dbraw/zinc/67/11/96/591671196.db2.gz LNXUHGLSSOVXTN-OAHLLOKOSA-N 2 2 247.386 2.088 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000883450390 591671199 /nfs/dbraw/zinc/67/11/99/591671199.db2.gz LNXUHGLSSOVXTN-OAHLLOKOSA-N 2 2 247.386 2.088 20 0 BEADLP Cc1ccncc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459854 591674268 /nfs/dbraw/zinc/67/42/68/591674268.db2.gz JAMVIYHZTKTKJY-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ccncc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459854 591674271 /nfs/dbraw/zinc/67/42/71/591674271.db2.gz JAMVIYHZTKTKJY-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000133593507 591831097 /nfs/dbraw/zinc/83/10/97/591831097.db2.gz AQPGMTOTHHIPRU-UWVGGRQHSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)n1 ZINC000133593507 591831098 /nfs/dbraw/zinc/83/10/98/591831098.db2.gz AQPGMTOTHHIPRU-UWVGGRQHSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000134115340 591888068 /nfs/dbraw/zinc/88/80/68/591888068.db2.gz XRUGKJGRQDSKDW-NFAWXSAZSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H](C[NH2+]C/C=C\c1cccc(F)c1)[NH+](C)C ZINC000885968930 592117818 /nfs/dbraw/zinc/11/78/18/592117818.db2.gz FEHGKKWCZSWMAO-HWPRWLFBSA-N 2 2 236.334 2.379 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886116373 592157086 /nfs/dbraw/zinc/15/70/86/592157086.db2.gz GZCNIFJOPXEAHK-PZBABLGHSA-N 2 2 236.334 2.379 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000886792421 592323820 /nfs/dbraw/zinc/32/38/20/592323820.db2.gz YVFBDDHZJQUKCO-NZVBXONLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000886792421 592323826 /nfs/dbraw/zinc/32/38/26/592323826.db2.gz YVFBDDHZJQUKCO-NZVBXONLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000886793949 592325434 /nfs/dbraw/zinc/32/54/34/592325434.db2.gz YVFBDDHZJQUKCO-VQISRLSMSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000886793949 592325440 /nfs/dbraw/zinc/32/54/40/592325440.db2.gz YVFBDDHZJQUKCO-VQISRLSMSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824955 592348834 /nfs/dbraw/zinc/34/88/34/592348834.db2.gz JTVNPJJHYFRXIH-BXUZGUMPSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824955 592348838 /nfs/dbraw/zinc/34/88/38/592348838.db2.gz JTVNPJJHYFRXIH-BXUZGUMPSA-N 2 2 234.387 2.391 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054111302 635392578 /nfs/dbraw/zinc/39/25/78/635392578.db2.gz UWAQJKYWDZXACZ-GFCCVEGCSA-N 2 2 200.370 2.495 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054111302 635392585 /nfs/dbraw/zinc/39/25/85/635392585.db2.gz UWAQJKYWDZXACZ-GFCCVEGCSA-N 2 2 200.370 2.495 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1CC=CCC1 ZINC000054111065 635392740 /nfs/dbraw/zinc/39/27/40/635392740.db2.gz PHNIXUCPWJBJNU-ZDUSSCGKSA-N 2 2 210.365 2.273 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1CC=CCC1 ZINC000054111065 635392748 /nfs/dbraw/zinc/39/27/48/635392748.db2.gz PHNIXUCPWJBJNU-ZDUSSCGKSA-N 2 2 210.365 2.273 20 0 BEADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCC=CO1 ZINC000308612276 631447306 /nfs/dbraw/zinc/44/73/06/631447306.db2.gz CKKHPZAVOOOCSP-ZDUSSCGKSA-N 2 2 238.375 2.143 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309034092 631808193 /nfs/dbraw/zinc/80/81/93/631808193.db2.gz DURUOWBOHLHANI-VHSXEESVSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309034092 631808196 /nfs/dbraw/zinc/80/81/96/631808196.db2.gz DURUOWBOHLHANI-VHSXEESVSA-N 2 2 210.296 2.166 20 0 BEADLP Cc1[nH]c(C[NH2+][C@@H]2CCOC23CCCC3)c(C)[nH+]1 ZINC000934381795 631813834 /nfs/dbraw/zinc/81/38/34/631813834.db2.gz RMIATHQVZJFRIL-CYBMUJFWSA-N 2 2 249.358 2.218 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000308833392 631893076 /nfs/dbraw/zinc/89/30/76/631893076.db2.gz HBQIFOLNRKSPNH-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000308833392 631893082 /nfs/dbraw/zinc/89/30/82/631893082.db2.gz HBQIFOLNRKSPNH-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CC1)[NH+]1CCCCC1 ZINC000308843124 631905371 /nfs/dbraw/zinc/90/53/71/631905371.db2.gz KWLDQOGAFDZTFN-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000235188868 631997188 /nfs/dbraw/zinc/99/71/88/631997188.db2.gz ORUPZUQZRLUKHO-OCCSQVGLSA-N 2 2 218.344 2.398 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]1C ZINC000309559212 632494858 /nfs/dbraw/zinc/49/48/58/632494858.db2.gz KNCXWROZMDEORD-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]1C ZINC000309559212 632494864 /nfs/dbraw/zinc/49/48/64/632494864.db2.gz KNCXWROZMDEORD-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP c1cc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)co1 ZINC000926699908 632836360 /nfs/dbraw/zinc/83/63/60/632836360.db2.gz BLNPLDZHFYWQFZ-LSDHHAIUSA-N 2 2 248.370 2.429 20 0 BEADLP c1cc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)co1 ZINC000926699908 632836362 /nfs/dbraw/zinc/83/63/62/632836362.db2.gz BLNPLDZHFYWQFZ-LSDHHAIUSA-N 2 2 248.370 2.429 20 0 BEADLP CC[C@H](C[C@](C)(O)CC)[NH2+]CC[NH+]1CCCC1 ZINC000924561589 632862086 /nfs/dbraw/zinc/86/20/86/632862086.db2.gz MSIWCRAVWJFGKD-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000306261442 635961367 /nfs/dbraw/zinc/96/13/67/635961367.db2.gz WTZHKWWNYDSNFA-LLVKDONJSA-N 2 2 228.286 2.101 20 0 BEADLP C[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000306261442 635961373 /nfs/dbraw/zinc/96/13/73/635961373.db2.gz WTZHKWWNYDSNFA-LLVKDONJSA-N 2 2 228.286 2.101 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000309801783 633756182 /nfs/dbraw/zinc/75/61/82/633756182.db2.gz RGTZJSJBEFCFPT-RYUDHWBXSA-N 2 2 219.332 2.272 20 0 BEADLP CSC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000925516183 633867428 /nfs/dbraw/zinc/86/74/28/633867428.db2.gz VZWZYMYNKOLNNZ-XVSSEFHLSA-N 2 2 242.432 2.199 20 0 BEADLP CSC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000925516183 633867432 /nfs/dbraw/zinc/86/74/32/633867432.db2.gz VZWZYMYNKOLNNZ-XVSSEFHLSA-N 2 2 242.432 2.199 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000053201907 634072932 /nfs/dbraw/zinc/07/29/32/634072932.db2.gz ACMKKCJSPSDGKR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000053201907 634072937 /nfs/dbraw/zinc/07/29/37/634072937.db2.gz ACMKKCJSPSDGKR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CC1CCCCC1 ZINC000053344145 634168892 /nfs/dbraw/zinc/16/88/92/634168892.db2.gz JMUUFVYSKDXIFL-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CC1CCCCC1 ZINC000053344145 634168900 /nfs/dbraw/zinc/16/89/00/634168900.db2.gz JMUUFVYSKDXIFL-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000053343805 634171135 /nfs/dbraw/zinc/17/11/35/634171135.db2.gz OIYBBWVDDUZKPI-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000053343805 634171140 /nfs/dbraw/zinc/17/11/40/634171140.db2.gz OIYBBWVDDUZKPI-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](CC[NH2+][C@H]1C[NH2+]CCOC1)CC(C)(C)C ZINC000925645144 634199287 /nfs/dbraw/zinc/19/92/87/634199287.db2.gz NYFUPNACURNKLE-STQMWFEESA-N 2 2 242.407 2.027 20 0 BEADLP CC(C)OCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925648295 634202642 /nfs/dbraw/zinc/20/26/42/634202642.db2.gz SNXFPHYUBUVGRC-OCCSQVGLSA-N 2 2 236.359 2.090 20 0 BEADLP CC(C)OCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925648293 634203410 /nfs/dbraw/zinc/20/34/10/634203410.db2.gz SNXFPHYUBUVGRC-GXTWGEPZSA-N 2 2 236.359 2.090 20 0 BEADLP CCCSC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000893345895 634238429 /nfs/dbraw/zinc/23/84/29/634238429.db2.gz ZIKAAZMSGYXORF-WDEREUQCSA-N 2 2 218.410 2.058 20 0 BEADLP CC[C@@H](C[NH2+]C[C@@H]1CCC=CO1)[NH+]1CCCC1 ZINC000194202126 634311175 /nfs/dbraw/zinc/31/11/75/634311175.db2.gz OTNCPLJOOBZSGT-KBPBESRZSA-N 2 2 238.375 2.143 20 0 BEADLP CCCC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201661 634321389 /nfs/dbraw/zinc/32/13/89/634321389.db2.gz OHDVSOMFELDPQE-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000258792622 635200476 /nfs/dbraw/zinc/20/04/76/635200476.db2.gz QGROSBKYZRAQKF-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000258792622 635200480 /nfs/dbraw/zinc/20/04/80/635200480.db2.gz QGROSBKYZRAQKF-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@H](C[NH2+]Cc1cccs1)Cn1cc[nH+]c1 ZINC000067500677 636271021 /nfs/dbraw/zinc/27/10/21/636271021.db2.gz HRAAMWTUHHUIPE-LLVKDONJSA-N 2 2 235.356 2.371 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000925179788 636358152 /nfs/dbraw/zinc/35/81/52/636358152.db2.gz ZSMAHTIQWLXAOH-UONOGXRCSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000925179788 636358156 /nfs/dbraw/zinc/35/81/56/636358156.db2.gz ZSMAHTIQWLXAOH-UONOGXRCSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)o1 ZINC000897621844 636827699 /nfs/dbraw/zinc/82/76/99/636827699.db2.gz WJYDEDQEKOMPSI-CABCVRRESA-N 2 2 248.370 2.280 20 0 BEADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C)o1 ZINC000897621844 636827703 /nfs/dbraw/zinc/82/77/03/636827703.db2.gz WJYDEDQEKOMPSI-CABCVRRESA-N 2 2 248.370 2.280 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c(C)o1 ZINC000897621844 636827706 /nfs/dbraw/zinc/82/77/06/636827706.db2.gz WJYDEDQEKOMPSI-CABCVRRESA-N 2 2 248.370 2.280 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c(C)o1 ZINC000897621844 636827710 /nfs/dbraw/zinc/82/77/10/636827710.db2.gz WJYDEDQEKOMPSI-CABCVRRESA-N 2 2 248.370 2.280 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924650784 636977240 /nfs/dbraw/zinc/97/72/40/636977240.db2.gz WZVRNMXINWALKX-RQJABVFESA-N 2 2 231.343 2.216 20 0 BEADLP CCCCOc1ccccc1C[NH2+]CC1([NH3+])CC1 ZINC000904448535 637414980 /nfs/dbraw/zinc/41/49/80/637414980.db2.gz AQPOKIGGUXBGKC-UHFFFAOYSA-N 2 2 248.370 2.446 20 0 BEADLP CCCC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000906527431 638191403 /nfs/dbraw/zinc/19/14/03/638191403.db2.gz JMYIZKRNHVTQNK-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000906527431 638191406 /nfs/dbraw/zinc/19/14/06/638191406.db2.gz JMYIZKRNHVTQNK-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282296 640136212 /nfs/dbraw/zinc/13/62/12/640136212.db2.gz OMWHPUJDBZLCRB-BSLXNSKLSA-N 2 2 248.345 2.379 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282296 640136217 /nfs/dbraw/zinc/13/62/17/640136217.db2.gz OMWHPUJDBZLCRB-BSLXNSKLSA-N 2 2 248.345 2.379 20 0 BEADLP Cc1cnccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355777 640168763 /nfs/dbraw/zinc/16/87/63/640168763.db2.gz WNSBBWFIFMRGIJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000931717601 640334619 /nfs/dbraw/zinc/33/46/19/640334619.db2.gz KHGZKECBLTURFO-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000931717601 640334621 /nfs/dbraw/zinc/33/46/21/640334621.db2.gz KHGZKECBLTURFO-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](C)CC3)C1 ZINC000931717601 640334625 /nfs/dbraw/zinc/33/46/25/640334625.db2.gz KHGZKECBLTURFO-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)C1 ZINC000931717601 640334631 /nfs/dbraw/zinc/33/46/31/640334631.db2.gz KHGZKECBLTURFO-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cncc2ccccc21 ZINC000165084880 640532897 /nfs/dbraw/zinc/53/28/97/640532897.db2.gz LYNLNQYPGMPRGX-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cncc2ccccc21 ZINC000165084880 640532903 /nfs/dbraw/zinc/53/29/03/640532903.db2.gz LYNLNQYPGMPRGX-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742660 640758141 /nfs/dbraw/zinc/75/81/41/640758141.db2.gz QKBVMXVLFNUYCN-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742660 640758148 /nfs/dbraw/zinc/75/81/48/640758148.db2.gz QKBVMXVLFNUYCN-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742660 640758152 /nfs/dbraw/zinc/75/81/52/640758152.db2.gz QKBVMXVLFNUYCN-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933742660 640758155 /nfs/dbraw/zinc/75/81/55/640758155.db2.gz QKBVMXVLFNUYCN-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@]2(C)C1 ZINC000933747007 640763800 /nfs/dbraw/zinc/76/38/00/640763800.db2.gz DBVGVPXVNGFOGE-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@]2(C)C1 ZINC000933747007 640763803 /nfs/dbraw/zinc/76/38/03/640763803.db2.gz DBVGVPXVNGFOGE-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@]2(C)C1 ZINC000933747007 640763808 /nfs/dbraw/zinc/76/38/08/640763808.db2.gz DBVGVPXVNGFOGE-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@]2(C)C1 ZINC000933747007 640763810 /nfs/dbraw/zinc/76/38/10/640763810.db2.gz DBVGVPXVNGFOGE-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+](C/C=C/Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000158063467 640788115 /nfs/dbraw/zinc/78/81/15/640788115.db2.gz QFBUVZJJSLZIBI-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP C[N@H+](C/C=C/Cl)C[C@H]1CCC[NH+](C)C1 ZINC000158063467 640788100 /nfs/dbraw/zinc/78/81/00/640788100.db2.gz QFBUVZJJSLZIBI-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP C[N@@H+](C/C=C/Cl)C[C@H]1CCC[NH+](C)C1 ZINC000158063467 640788106 /nfs/dbraw/zinc/78/81/06/640788106.db2.gz QFBUVZJJSLZIBI-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C/Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000158063467 640788110 /nfs/dbraw/zinc/78/81/10/640788110.db2.gz QFBUVZJJSLZIBI-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000168296461 640796436 /nfs/dbraw/zinc/79/64/36/640796436.db2.gz CAJHOWXPMZTIAZ-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000168296461 640796438 /nfs/dbraw/zinc/79/64/38/640796438.db2.gz CAJHOWXPMZTIAZ-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819281 640997477 /nfs/dbraw/zinc/99/74/77/640997477.db2.gz BXXDBJFCSCGFSU-LBPRGKRZSA-N 2 2 210.365 2.380 20 0 BEADLP Cc1[nH]c(C[NH2+][C@H](C)Cc2cccnc2)c(C)[nH+]1 ZINC000934225101 641105131 /nfs/dbraw/zinc/10/51/31/641105131.db2.gz AQBAJUDHXOSBJY-SNVBAGLBSA-N 2 2 244.342 2.142 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+]CC[NH+]1CCCCC1 ZINC000934233337 641109477 /nfs/dbraw/zinc/10/94/77/641109477.db2.gz ITQLDCYRZDXZPY-AWEZNQCLSA-N 2 2 247.386 2.088 20 0 BEADLP C[C@@H]1CSCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000934302712 641123199 /nfs/dbraw/zinc/12/31/99/641123199.db2.gz FFPACCPWCNZBRF-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1CSCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000934302712 641123202 /nfs/dbraw/zinc/12/32/02/641123202.db2.gz FFPACCPWCNZBRF-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCSCC1 ZINC000035258993 641330392 /nfs/dbraw/zinc/33/03/92/641330392.db2.gz AKZUEBHJUFEPLZ-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[NH+]1CCCCCC1 ZINC000040767651 641536230 /nfs/dbraw/zinc/53/62/30/641536230.db2.gz HMHYSTZTLDQPCL-CYBMUJFWSA-N 2 2 212.381 2.498 20 0 BEADLP C[N@H+](CCCOc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000234293798 642356443 /nfs/dbraw/zinc/35/64/43/642356443.db2.gz GEHFBAVPHDWTNK-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@@H+](CCCOc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000234293798 642356447 /nfs/dbraw/zinc/35/64/47/642356447.db2.gz GEHFBAVPHDWTNK-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499602 643029323 /nfs/dbraw/zinc/02/93/23/643029323.db2.gz HEZYNOQYIWGRDT-HNNXBMFYSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499602 643029330 /nfs/dbraw/zinc/02/93/30/643029330.db2.gz HEZYNOQYIWGRDT-HNNXBMFYSA-N 2 2 230.355 2.098 20 0 BEADLP CC[N@H+](Cc1cc(C)cc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071312365 643121298 /nfs/dbraw/zinc/12/12/98/643121298.db2.gz RVPQISXVKMRNRU-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071312365 643121299 /nfs/dbraw/zinc/12/12/99/643121299.db2.gz RVPQISXVKMRNRU-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[N@@H+](C/C=C\Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000254991649 643212797 /nfs/dbraw/zinc/21/27/97/643212797.db2.gz QFBUVZJJSLZIBI-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C\Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000254991649 643212801 /nfs/dbraw/zinc/21/28/01/643212801.db2.gz QFBUVZJJSLZIBI-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C\Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000254991649 643212807 /nfs/dbraw/zinc/21/28/07/643212807.db2.gz QFBUVZJJSLZIBI-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP C[N@H+](C/C=C\Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000254991649 643212793 /nfs/dbraw/zinc/21/27/93/643212793.db2.gz QFBUVZJJSLZIBI-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccoc2)CC[N@@H+]1C ZINC000093644821 643339288 /nfs/dbraw/zinc/33/92/88/643339288.db2.gz HPWGCJQESPUINC-YPMHNXCESA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccoc2)CC[N@H+]1C ZINC000093644821 643339292 /nfs/dbraw/zinc/33/92/92/643339292.db2.gz HPWGCJQESPUINC-YPMHNXCESA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644821 643339296 /nfs/dbraw/zinc/33/92/96/643339296.db2.gz HPWGCJQESPUINC-YPMHNXCESA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644821 643339300 /nfs/dbraw/zinc/33/93/00/643339300.db2.gz HPWGCJQESPUINC-YPMHNXCESA-N 2 2 222.332 2.194 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000234160012 643544144 /nfs/dbraw/zinc/54/41/44/643544144.db2.gz NPNKKRKEXRDNGM-FZMZJTMJSA-N 2 2 218.344 2.028 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000234160012 643544147 /nfs/dbraw/zinc/54/41/47/643544147.db2.gz NPNKKRKEXRDNGM-FZMZJTMJSA-N 2 2 218.344 2.028 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)on1 ZINC000923307421 644338886 /nfs/dbraw/zinc/33/88/86/644338886.db2.gz WAPXTKBKIMIAFH-CYBMUJFWSA-N 2 2 249.358 2.262 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2CCC[NH2+]C2CC2)on1 ZINC000923307421 644338895 /nfs/dbraw/zinc/33/88/95/644338895.db2.gz WAPXTKBKIMIAFH-CYBMUJFWSA-N 2 2 249.358 2.262 20 0 BEADLP c1n[nH]cc1[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923324183 644352673 /nfs/dbraw/zinc/35/26/73/644352673.db2.gz DDKGXJFFUDZKKU-CQSZACIVSA-N 2 2 248.374 2.079 20 0 BEADLP c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923324183 644352678 /nfs/dbraw/zinc/35/26/78/644352678.db2.gz DDKGXJFFUDZKKU-CQSZACIVSA-N 2 2 248.374 2.079 20 0 BEADLP CCCCCC[C@@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923427026 644421533 /nfs/dbraw/zinc/42/15/33/644421533.db2.gz WXGSCYINCIQXQB-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923427026 644421536 /nfs/dbraw/zinc/42/15/36/644421536.db2.gz WXGSCYINCIQXQB-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/Cl)[C@@H](C)C1 ZINC000247348425 644633442 /nfs/dbraw/zinc/63/34/42/644633442.db2.gz XZFBJBAKORTTNV-YILIYONBSA-N 2 2 230.783 2.401 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/Cl)[C@@H](C)C1 ZINC000247348425 644633446 /nfs/dbraw/zinc/63/34/46/644633446.db2.gz XZFBJBAKORTTNV-YILIYONBSA-N 2 2 230.783 2.401 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/Cl)[C@@H](C)C1 ZINC000247348425 644633450 /nfs/dbraw/zinc/63/34/50/644633450.db2.gz XZFBJBAKORTTNV-YILIYONBSA-N 2 2 230.783 2.401 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/Cl)[C@@H](C)C1 ZINC000247348425 644633455 /nfs/dbraw/zinc/63/34/55/644633455.db2.gz XZFBJBAKORTTNV-YILIYONBSA-N 2 2 230.783 2.401 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000094371221 644716029 /nfs/dbraw/zinc/71/60/29/644716029.db2.gz LOQCCOJTONXCIP-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C1=C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926690227 645360118 /nfs/dbraw/zinc/36/01/18/645360118.db2.gz OKULNRZKUIFTBN-MELADBBJSA-N 2 2 220.360 2.312 20 0 BEADLP C1=C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926690227 645360125 /nfs/dbraw/zinc/36/01/25/645360125.db2.gz OKULNRZKUIFTBN-MELADBBJSA-N 2 2 220.360 2.312 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883093391 645848646 /nfs/dbraw/zinc/84/86/46/645848646.db2.gz UBZIMFIDFOOMRR-RFQIPJPRSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)[NH+](C)C ZINC000925494599 645924147 /nfs/dbraw/zinc/92/41/47/645924147.db2.gz KPXMDYGPIKHYNU-DZGCQCFKSA-N 3 2 249.402 2.006 20 0 BEADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000235708434 711524341 /nfs/dbraw/zinc/52/43/41/711524341.db2.gz DFFBOTFEEBQELA-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000235708434 711524342 /nfs/dbraw/zinc/52/43/42/711524342.db2.gz DFFBOTFEEBQELA-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccns1 ZINC000924527321 646048349 /nfs/dbraw/zinc/04/83/49/646048349.db2.gz RROIPLNFOMGNPN-SNVBAGLBSA-N 2 2 241.404 2.382 20 0 BEADLP CSC1CC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000924674629 646088848 /nfs/dbraw/zinc/08/88/48/646088848.db2.gz PYBIRUYJUJZDEX-PNESKVBLSA-N 2 2 242.432 2.202 20 0 BEADLP CSC1CC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000924674629 646088857 /nfs/dbraw/zinc/08/88/57/646088857.db2.gz PYBIRUYJUJZDEX-PNESKVBLSA-N 2 2 242.432 2.202 20 0 BEADLP CSC1CC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000924674628 646089507 /nfs/dbraw/zinc/08/95/07/646089507.db2.gz PYBIRUYJUJZDEX-HIFPTAJRSA-N 2 2 242.432 2.202 20 0 BEADLP CSC1CC([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000924674628 646089510 /nfs/dbraw/zinc/08/95/10/646089510.db2.gz PYBIRUYJUJZDEX-HIFPTAJRSA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC[N@H+](C)C(C)C ZINC000924903058 646128355 /nfs/dbraw/zinc/12/83/55/646128355.db2.gz FLRLWNXMAIJULH-KBPBESRZSA-N 2 2 244.423 2.246 20 0 BEADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000924903058 646128358 /nfs/dbraw/zinc/12/83/58/646128358.db2.gz FLRLWNXMAIJULH-KBPBESRZSA-N 2 2 244.423 2.246 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924903761 646128410 /nfs/dbraw/zinc/12/84/10/646128410.db2.gz LOWPMAOGQXEAPY-BFHYXJOUSA-N 2 2 222.376 2.271 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924903761 646128414 /nfs/dbraw/zinc/12/84/14/646128414.db2.gz LOWPMAOGQXEAPY-BFHYXJOUSA-N 2 2 222.376 2.271 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000925481905 646295795 /nfs/dbraw/zinc/29/57/95/646295795.db2.gz OWFDLOSQVMYUEA-CFVMTHIKSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000925535216 646321441 /nfs/dbraw/zinc/32/14/41/646321441.db2.gz DEQJELRFFYHXDL-AEGPPILISA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925579945 646345378 /nfs/dbraw/zinc/34/53/78/646345378.db2.gz OTSUCSSSBJJBPL-AWEZNQCLSA-N 2 2 248.370 2.104 20 0 BEADLP CO[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000925675284 646404765 /nfs/dbraw/zinc/40/47/65/646404765.db2.gz NCRNFXQQYZONIP-GLQYFDAESA-N 2 2 248.370 2.090 20 0 BEADLP CCC1(C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])COC1 ZINC000925684513 646411957 /nfs/dbraw/zinc/41/19/57/646411957.db2.gz AWTLTKVHXPATNB-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP [NH3+][C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)C12CCC2 ZINC000925690198 646416002 /nfs/dbraw/zinc/41/60/02/646416002.db2.gz GEBHCMGZMAVAND-KGLIPLIRSA-N 2 2 243.354 2.336 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1C=CCC1)c1ccccc1 ZINC000925713267 646438276 /nfs/dbraw/zinc/43/82/76/646438276.db2.gz TXHNAMCEPYBQPQ-IACUBPJLSA-N 2 2 216.328 2.383 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)o1 ZINC000925723076 646448472 /nfs/dbraw/zinc/44/84/72/646448472.db2.gz RERRVRPAYVTFPP-RDBSUJKOSA-N 2 2 248.370 2.454 20 0 BEADLP Cc1cc(N[C@@H]2CC[NH2+]CC[C@@H]2C)c[nH+]c1C ZINC000925765031 646466385 /nfs/dbraw/zinc/46/63/85/646466385.db2.gz CNPYRBBWCYDCRL-IINYFYTJSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)c[nH+]c1C ZINC000925768395 646468626 /nfs/dbraw/zinc/46/86/26/646468626.db2.gz JTEGFFGKCBHXQW-NOZJJQNGSA-N 2 2 219.332 2.108 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])c[nH+]c1C ZINC000925770521 646470310 /nfs/dbraw/zinc/47/03/10/646470310.db2.gz USJWBFJVJIJFEC-DGCLKSJQSA-N 2 2 219.332 2.238 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925780676 646477696 /nfs/dbraw/zinc/47/76/96/646477696.db2.gz UVQMNMVJZNIWTI-ZJUUUORDSA-N 2 2 244.285 2.175 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000925783864 646479631 /nfs/dbraw/zinc/47/96/31/646479631.db2.gz LMSZPPRCKABQSX-DDTOSNHZSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000925782602 646479697 /nfs/dbraw/zinc/47/96/97/646479697.db2.gz LHEPQOWXEYMOGV-VCTAVGKDSA-N 2 2 248.345 2.474 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000925786279 646481295 /nfs/dbraw/zinc/48/12/95/646481295.db2.gz YVJFRLVFPQAOIA-VCTAVGKDSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925785614 646481834 /nfs/dbraw/zinc/48/18/34/646481834.db2.gz LQPYSSIHHOTBLQ-BYCMXARLSA-N 2 2 230.355 2.180 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925786998 646482664 /nfs/dbraw/zinc/48/26/64/646482664.db2.gz RPRPEPJEAKVUHR-BYCMXARLSA-N 2 2 230.355 2.180 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC3CCC1CC3)CC2 ZINC000926223076 646596978 /nfs/dbraw/zinc/59/69/78/646596978.db2.gz AZTOGGUWQIUELE-PQAZSJQKSA-N 2 2 245.370 2.366 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC3CCC1CC3)C2 ZINC000926451080 646642118 /nfs/dbraw/zinc/64/21/18/646642118.db2.gz VUODOMIYDIWTNI-BUCSNLDVSA-N 2 2 245.370 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccns1 ZINC000926451160 646642513 /nfs/dbraw/zinc/64/25/13/646642513.db2.gz WPBOFRKQLDPJQW-DTWKUNHWSA-N 2 2 248.355 2.074 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926453751 646643577 /nfs/dbraw/zinc/64/35/77/646643577.db2.gz UYFXQPXKTFHPSG-MQYQWHSLSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926453751 646643579 /nfs/dbraw/zinc/64/35/79/646643579.db2.gz UYFXQPXKTFHPSG-MQYQWHSLSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)OC ZINC000926461033 646647697 /nfs/dbraw/zinc/64/76/97/646647697.db2.gz IQLAGGRXFDTHHQ-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)OC ZINC000926461033 646647700 /nfs/dbraw/zinc/64/77/00/646647700.db2.gz IQLAGGRXFDTHHQ-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP FCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926462684 646648874 /nfs/dbraw/zinc/64/88/74/646648874.db2.gz BKMHJHRHGRNZIB-OLZOCXBDSA-N 2 2 228.355 2.343 20 0 BEADLP FCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926462684 646648879 /nfs/dbraw/zinc/64/88/79/646648879.db2.gz BKMHJHRHGRNZIB-OLZOCXBDSA-N 2 2 228.355 2.343 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000926476292 646653512 /nfs/dbraw/zinc/65/35/12/646653512.db2.gz ZIWGEVMNPCXRFQ-UWVGGRQHSA-N 2 2 239.363 2.140 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(C)[nH+]1 ZINC000724776029 711612624 /nfs/dbraw/zinc/61/26/24/711612624.db2.gz UCPGBEXQVYSYNQ-GFCCVEGCSA-N 2 2 237.347 2.026 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(C)[nH+]1 ZINC000724776029 711612627 /nfs/dbraw/zinc/61/26/27/711612627.db2.gz UCPGBEXQVYSYNQ-GFCCVEGCSA-N 2 2 237.347 2.026 20 0 BEADLP CC(F)(F)CCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000718656535 711662865 /nfs/dbraw/zinc/66/28/65/711662865.db2.gz HTTQQCJGVXFRAK-VIFPVBQESA-N 2 2 220.307 2.091 20 0 BEADLP CC(F)(F)CCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000718656535 711662867 /nfs/dbraw/zinc/66/28/67/711662867.db2.gz HTTQQCJGVXFRAK-VIFPVBQESA-N 2 2 220.307 2.091 20 0 BEADLP CC(C)CCCC[NH2+]C[C@H](C)[NH+](C)C ZINC000703952511 712092751 /nfs/dbraw/zinc/09/27/51/712092751.db2.gz HIRBBWVVEFPYFY-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)CCCC[NH2+][C@@H](C)C[NH+](C)C ZINC000707319815 712169036 /nfs/dbraw/zinc/16/90/36/712169036.db2.gz FMFYWTNPIJWJEH-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000380070474 712685112 /nfs/dbraw/zinc/68/51/12/712685112.db2.gz ISQOQNVKDMFRNK-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000380070474 712685114 /nfs/dbraw/zinc/68/51/14/712685114.db2.gz ISQOQNVKDMFRNK-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000718860207 712786274 /nfs/dbraw/zinc/78/62/74/712786274.db2.gz ONNDBDCSAIXWIS-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP C[NH2+]CC[N@H+](CCc1cccs1)C(C)C ZINC000720748308 712863394 /nfs/dbraw/zinc/86/33/94/712863394.db2.gz OEMQXNKVHTWLMB-UHFFFAOYSA-N 2 2 226.389 2.220 20 0 BEADLP C[NH2+]CC[N@@H+](CCc1cccs1)C(C)C ZINC000720748308 712863397 /nfs/dbraw/zinc/86/33/97/712863397.db2.gz OEMQXNKVHTWLMB-UHFFFAOYSA-N 2 2 226.389 2.220 20 0 BEADLP Cc1ccsc1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720748992 712863659 /nfs/dbraw/zinc/86/36/59/712863659.db2.gz SMSSYSWIQCZUFS-NSHDSACASA-N 2 2 224.373 2.226 20 0 BEADLP Cc1ccsc1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720748992 712863661 /nfs/dbraw/zinc/86/36/61/712863661.db2.gz SMSSYSWIQCZUFS-NSHDSACASA-N 2 2 224.373 2.226 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000721169353 712893983 /nfs/dbraw/zinc/89/39/83/712893983.db2.gz WEBZBGOAQOICLE-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000721169353 712893985 /nfs/dbraw/zinc/89/39/85/712893985.db2.gz WEBZBGOAQOICLE-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)[NH+](C)C ZINC000723601193 710728688 /nfs/dbraw/zinc/72/86/88/710728688.db2.gz CBRUESMFQAEPNU-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC2CCC1CC2 ZINC000382181542 710806070 /nfs/dbraw/zinc/80/60/70/710806070.db2.gz WSVYSNFJWOETIM-WTIISPKJSA-N 2 2 210.365 2.105 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000386265546 711026976 /nfs/dbraw/zinc/02/69/76/711026976.db2.gz XDVLFQAIONVFSM-VXGBXAGGSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000380740462 712902917 /nfs/dbraw/zinc/90/29/17/712902917.db2.gz RUBCFNZEOJPSJL-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000380740462 712902918 /nfs/dbraw/zinc/90/29/18/712902918.db2.gz RUBCFNZEOJPSJL-SECBINFHSA-N 2 2 228.286 2.403 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000388025980 711050213 /nfs/dbraw/zinc/05/02/13/711050213.db2.gz CFPQRXZHGXNRTG-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000388025980 711050216 /nfs/dbraw/zinc/05/02/16/711050216.db2.gz CFPQRXZHGXNRTG-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000389374338 711077549 /nfs/dbraw/zinc/07/75/49/711077549.db2.gz AARGANIYYQGDHI-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000390436035 711116549 /nfs/dbraw/zinc/11/65/49/711116549.db2.gz SDWLKFGTJPNAOF-BNOWGMLFSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000390436035 711116552 /nfs/dbraw/zinc/11/65/52/711116552.db2.gz SDWLKFGTJPNAOF-BNOWGMLFSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393244551 711156342 /nfs/dbraw/zinc/15/63/42/711156342.db2.gz QBZCIFLQTZUNFT-RQJABVFESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393244551 711156344 /nfs/dbraw/zinc/15/63/44/711156344.db2.gz QBZCIFLQTZUNFT-RQJABVFESA-N 2 2 222.376 2.249 20 0 BEADLP CSC(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000395378803 711210573 /nfs/dbraw/zinc/21/05/73/711210573.db2.gz QNNDLYKOYGHBAM-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CSC(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000395378803 711210575 /nfs/dbraw/zinc/21/05/75/711210575.db2.gz QNNDLYKOYGHBAM-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396693474 711364333 /nfs/dbraw/zinc/36/43/33/711364333.db2.gz LUNHBWMRLBKOIG-UKRRQHHQSA-N 2 2 248.370 2.104 20 0 BEADLP COCc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396709478 711367498 /nfs/dbraw/zinc/36/74/98/711367498.db2.gz QEYIUEZSEAFCRP-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000723879517 711542352 /nfs/dbraw/zinc/54/23/52/711542352.db2.gz QBSTUWUYYIYDNS-HNNXBMFYSA-N 2 2 247.386 2.128 20 0 BEADLP CO[C@@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCC2 ZINC000724790389 711614490 /nfs/dbraw/zinc/61/44/90/711614490.db2.gz RILZKSHQTKZVFA-QWHCGFSZSA-N 2 2 249.358 2.074 20 0 BEADLP C[C@H](C[NH2+]C1CC(C(F)F)C1)[N@H+](C)C1CC1 ZINC000309546499 711637061 /nfs/dbraw/zinc/63/70/61/711637061.db2.gz GYLFMBZADBADMI-XNWIYYODSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000393804966 711707154 /nfs/dbraw/zinc/70/71/54/711707154.db2.gz VYUWAODSUQMIGK-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257643751 711720911 /nfs/dbraw/zinc/72/09/11/711720911.db2.gz BMQMDILBOIXBQO-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257643751 711720913 /nfs/dbraw/zinc/72/09/13/711720913.db2.gz BMQMDILBOIXBQO-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP c1ccc(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257703906 711796994 /nfs/dbraw/zinc/79/69/94/711796994.db2.gz QSFHKKPIGNEMKE-HNNXBMFYSA-N 2 2 230.355 2.057 20 0 BEADLP c1ccc(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257703906 711796995 /nfs/dbraw/zinc/79/69/95/711796995.db2.gz QSFHKKPIGNEMKE-HNNXBMFYSA-N 2 2 230.355 2.057 20 0 BEADLP Cc1ccccc1OCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160028958 711805598 /nfs/dbraw/zinc/80/55/98/711805598.db2.gz JZRSRGFRBSRZBP-CQSZACIVSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccccc1OCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160028958 711805599 /nfs/dbraw/zinc/80/55/99/711805599.db2.gz JZRSRGFRBSRZBP-CQSZACIVSA-N 2 2 248.370 2.043 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000700601150 712000684 /nfs/dbraw/zinc/00/06/84/712000684.db2.gz ZAYRXFMSQLIMGV-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000701828028 712030038 /nfs/dbraw/zinc/03/00/38/712030038.db2.gz KNCJXPGXAFPIQA-NXEZZACHSA-N 2 2 238.297 2.041 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](CCF)C1 ZINC000701828028 712030039 /nfs/dbraw/zinc/03/00/39/712030039.db2.gz KNCJXPGXAFPIQA-NXEZZACHSA-N 2 2 238.297 2.041 20 0 BEADLP CSC1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000706912540 712158375 /nfs/dbraw/zinc/15/83/75/712158375.db2.gz CDGOWMQZMVXLEY-UHFFFAOYSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@]12C[C@@H]1CCCC2 ZINC000709140015 712209728 /nfs/dbraw/zinc/20/97/28/712209728.db2.gz FBTHHWXUSZSGHK-MELADBBJSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@]1(C(F)(F)F)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000709637722 712226256 /nfs/dbraw/zinc/22/62/56/712226256.db2.gz KPXYEPNVADPXIF-YVNMAJEFSA-N 2 2 248.292 2.013 20 0 BEADLP C[C@]1(C(F)(F)F)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000709637722 712226259 /nfs/dbraw/zinc/22/62/59/712226259.db2.gz KPXYEPNVADPXIF-YVNMAJEFSA-N 2 2 248.292 2.013 20 0 BEADLP CC(C)(C)C[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710112207 712244711 /nfs/dbraw/zinc/24/47/11/712244711.db2.gz DANGQUXJFBERSH-UHFFFAOYSA-N 2 2 239.388 2.006 20 0 BEADLP CC(C)(C)C[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000710112207 712244712 /nfs/dbraw/zinc/24/47/12/712244712.db2.gz DANGQUXJFBERSH-UHFFFAOYSA-N 2 2 239.388 2.006 20 0 BEADLP Cn1c[nH+]cc1CNc1ccc2c([nH+]1)CCCC2 ZINC000712395593 712429345 /nfs/dbraw/zinc/42/93/45/712429345.db2.gz XJYSINPCTZCKII-UHFFFAOYSA-N 2 2 242.326 2.306 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccns1 ZINC000715920754 712542704 /nfs/dbraw/zinc/54/27/04/712542704.db2.gz NYCJLJZFLFXNBK-NXEZZACHSA-N 2 2 227.377 2.134 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccns2)CC1 ZINC000716047384 712548356 /nfs/dbraw/zinc/54/83/56/712548356.db2.gz LLMKHVMTGMAORH-SNVBAGLBSA-N 2 2 239.388 2.278 20 0 BEADLP CC(C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156696 712549520 /nfs/dbraw/zinc/54/95/20/712549520.db2.gz YQULVZILNHGEEJ-LLVKDONJSA-N 2 2 209.337 2.296 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1CC2(CCC2)C1 ZINC000379961415 712636898 /nfs/dbraw/zinc/63/68/98/712636898.db2.gz WZKAMPBDNVXHDW-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2cc(C)co2)CC1 ZINC000718036569 712737473 /nfs/dbraw/zinc/73/74/73/712737473.db2.gz RTBZSPGSZZUMJY-UHFFFAOYSA-N 2 2 222.332 2.162 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000718036101 712737489 /nfs/dbraw/zinc/73/74/89/712737489.db2.gz OMPJWSXAVFPKEK-NWDGAFQWSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000718036101 712737492 /nfs/dbraw/zinc/73/74/92/712737492.db2.gz OMPJWSXAVFPKEK-NWDGAFQWSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1coc(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000718052693 712739466 /nfs/dbraw/zinc/73/94/66/712739466.db2.gz NAKXJIHYCSYWSI-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP Cc1coc(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000718052693 712739467 /nfs/dbraw/zinc/73/94/67/712739467.db2.gz NAKXJIHYCSYWSI-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP Cc1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000718067277 712741065 /nfs/dbraw/zinc/74/10/65/712741065.db2.gz NTQMKZGJADHGJT-YHWZYXNKSA-N 2 2 234.343 2.303 20 0 BEADLP Cc1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000718067277 712741067 /nfs/dbraw/zinc/74/10/67/712741067.db2.gz NTQMKZGJADHGJT-YHWZYXNKSA-N 2 2 234.343 2.303 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)CC1 ZINC000718791882 712784265 /nfs/dbraw/zinc/78/42/65/712784265.db2.gz RFIXEUYELPHVAZ-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000719574626 712811964 /nfs/dbraw/zinc/81/19/64/712811964.db2.gz ZCHWFOLFFINSCM-ZJUUUORDSA-N 2 2 230.315 2.067 20 0 BEADLP C[C@@H]1[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000719574626 712811966 /nfs/dbraw/zinc/81/19/66/712811966.db2.gz ZCHWFOLFFINSCM-ZJUUUORDSA-N 2 2 230.315 2.067 20 0 BEADLP c1ccc(CCC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000720918729 712878592 /nfs/dbraw/zinc/87/85/92/712878592.db2.gz JMBIJBFQLUECHN-JKSUJKDBSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000720918729 712878593 /nfs/dbraw/zinc/87/85/93/712878593.db2.gz JMBIJBFQLUECHN-JKSUJKDBSA-N 2 2 244.382 2.446 20 0 BEADLP CS[C@H](C)CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208151184 957026754 /nfs/dbraw/zinc/02/67/54/957026754.db2.gz SYVHKGRQADSZJL-JHJVBQTASA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208151184 957026761 /nfs/dbraw/zinc/02/67/61/957026761.db2.gz SYVHKGRQADSZJL-JHJVBQTASA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208151184 957026775 /nfs/dbraw/zinc/02/67/75/957026775.db2.gz SYVHKGRQADSZJL-JHJVBQTASA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208151184 957026790 /nfs/dbraw/zinc/02/67/90/957026790.db2.gz SYVHKGRQADSZJL-JHJVBQTASA-N 2 2 242.432 2.154 20 0 BEADLP Cc1[nH+]cn(C2CCC(C)CC2)c1CC[NH3+] ZINC001168196749 963965465 /nfs/dbraw/zinc/96/54/65/963965465.db2.gz PXUQCQHWMHNXQT-UHFFFAOYSA-N 2 2 221.348 2.444 20 0 BEADLP CC[N@H+](CC[NH2+]C)CCc1ccc(Cl)cc1 ZINC001236143780 966280242 /nfs/dbraw/zinc/28/02/42/966280242.db2.gz NICMYGTYFFAPLL-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP CC[N@@H+](CC[NH2+]C)CCc1ccc(Cl)cc1 ZINC001236143780 966280249 /nfs/dbraw/zinc/28/02/49/966280249.db2.gz NICMYGTYFFAPLL-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP CC[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC000238799171 1165761443 /nfs/dbraw/zinc/76/14/43/1165761443.db2.gz MPSFDXPAYIMTKZ-GHMZBOCLSA-N 2 2 207.321 2.321 20 0 BEADLP C[NH2+]CC[N@@H+](Cc1ccccc1)CC(C)C ZINC001205924412 967887394 /nfs/dbraw/zinc/88/73/94/967887394.db2.gz SKCDUQUUQYRMRA-UHFFFAOYSA-N 2 2 220.360 2.364 20 0 BEADLP C[NH2+]CC[N@H+](Cc1ccccc1)CC(C)C ZINC001205924412 967887395 /nfs/dbraw/zinc/88/73/95/967887395.db2.gz SKCDUQUUQYRMRA-UHFFFAOYSA-N 2 2 220.360 2.364 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCCOC(C)(C)C)C1 ZINC001206578443 968396468 /nfs/dbraw/zinc/39/64/68/968396468.db2.gz WAQBQMNBYRDCFE-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCCOC(C)(C)C)C1 ZINC001206578443 968396479 /nfs/dbraw/zinc/39/64/79/968396479.db2.gz WAQBQMNBYRDCFE-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000130099859 1166150547 /nfs/dbraw/zinc/15/05/47/1166150547.db2.gz LHOUCIMCKMNJEE-NWDGAFQWSA-N 2 2 200.370 2.495 20 0 BEADLP CC[N@H+](CC[C@H](C)SC)CCn1cc[nH+]c1 ZINC001208151291 969074143 /nfs/dbraw/zinc/07/41/43/969074143.db2.gz UKGVUDINGALTCF-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CC[N@@H+](CC[C@H](C)SC)CCn1cc[nH+]c1 ZINC001208151291 969074153 /nfs/dbraw/zinc/07/41/53/969074153.db2.gz UKGVUDINGALTCF-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP Cc1ccc(NC2=CC[N@H+](C)CC2)c(C)[nH+]1 ZINC001208719126 969205282 /nfs/dbraw/zinc/20/52/82/969205282.db2.gz OVTMQZHWYAJTMA-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1ccc(NC2=CC[N@@H+](C)CC2)c(C)[nH+]1 ZINC001208719126 969205291 /nfs/dbraw/zinc/20/52/91/969205291.db2.gz OVTMQZHWYAJTMA-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000723466424 969314567 /nfs/dbraw/zinc/31/45/67/969314567.db2.gz NDEGKWKILJPELF-BTTYYORXSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]([C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000250442269 1166399487 /nfs/dbraw/zinc/39/94/87/1166399487.db2.gz UAAFLRWRINYJHZ-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+]([C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000250442269 1166399492 /nfs/dbraw/zinc/39/94/92/1166399492.db2.gz UAAFLRWRINYJHZ-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](F)C1)C2 ZINC001169139892 969453889 /nfs/dbraw/zinc/45/38/89/969453889.db2.gz FUOYTBYETBEENK-RVMXOQNASA-N 2 2 226.339 2.046 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](F)C1)C2 ZINC001169139892 969453902 /nfs/dbraw/zinc/45/39/02/969453902.db2.gz FUOYTBYETBEENK-RVMXOQNASA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](F)C1)C2 ZINC001169139892 969453911 /nfs/dbraw/zinc/45/39/11/969453911.db2.gz FUOYTBYETBEENK-RVMXOQNASA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](F)C1)C2 ZINC001169139892 969453918 /nfs/dbraw/zinc/45/39/18/969453918.db2.gz FUOYTBYETBEENK-RVMXOQNASA-N 2 2 226.339 2.046 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C/C=C/C1CC1 ZINC000378865514 1166564594 /nfs/dbraw/zinc/56/45/94/1166564594.db2.gz ZNVNVZVNFQOFAZ-OIUHTZQUSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C/C=C/C1CC1 ZINC000378865514 1166564598 /nfs/dbraw/zinc/56/45/98/1166564598.db2.gz ZNVNVZVNFQOFAZ-OIUHTZQUSA-N 2 2 220.360 2.025 20 0 BEADLP CCCC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001255312475 970082629 /nfs/dbraw/zinc/08/26/29/970082629.db2.gz PMZXFGKMIHZQLD-JTQLQIEISA-N 2 2 209.337 2.444 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000111393089 1166622182 /nfs/dbraw/zinc/62/21/82/1166622182.db2.gz YCLSDLKEFWSZFY-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000111393089 1166622185 /nfs/dbraw/zinc/62/21/85/1166622185.db2.gz YCLSDLKEFWSZFY-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+]CCOc1cc[nH+]cc1 ZINC001255645583 970423178 /nfs/dbraw/zinc/42/31/78/970423178.db2.gz GCRDDFILNXRHFH-VIFPVBQESA-N 2 2 248.248 2.391 20 0 BEADLP CCC[N@H+](CCC[NH3+])[C@H](C)CC[NH+](CC)CC ZINC001255942432 970576747 /nfs/dbraw/zinc/57/67/47/970576747.db2.gz GJXUMZMFYZYBPM-CQSZACIVSA-N 3 2 243.439 2.168 20 0 BEADLP CCC[N@@H+](CCC[NH3+])[C@H](C)CC[NH+](CC)CC ZINC001255942432 970576756 /nfs/dbraw/zinc/57/67/56/970576756.db2.gz GJXUMZMFYZYBPM-CQSZACIVSA-N 3 2 243.439 2.168 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccno1 ZINC001255954351 970586131 /nfs/dbraw/zinc/58/61/31/970586131.db2.gz CMCGESAUQPLYRF-NEPJUHHUSA-N 2 2 239.363 2.446 20 0 BEADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073215 970643708 /nfs/dbraw/zinc/64/37/08/970643708.db2.gz OWXPBLYMPFJSMW-LLVKDONJSA-N 2 2 208.349 2.098 20 0 BEADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073215 970643720 /nfs/dbraw/zinc/64/37/20/970643720.db2.gz OWXPBLYMPFJSMW-LLVKDONJSA-N 2 2 208.349 2.098 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[NH+]1C1CC[NH+](C)CC1 ZINC001256201639 970682186 /nfs/dbraw/zinc/68/21/86/970682186.db2.gz JMYJVYYGUAZYRB-VXGBXAGGSA-N 2 2 210.365 2.344 20 0 BEADLP Fc1ccccc1CCC[N@@H+]1CCC[NH2+]CC1 ZINC000041271283 1166991375 /nfs/dbraw/zinc/99/13/75/1166991375.db2.gz VHQUKOBJVFXGGB-UHFFFAOYSA-N 2 2 236.334 2.054 20 0 BEADLP Fc1ccccc1CCC[N@H+]1CCC[NH2+]CC1 ZINC000041271283 1166991380 /nfs/dbraw/zinc/99/13/80/1166991380.db2.gz VHQUKOBJVFXGGB-UHFFFAOYSA-N 2 2 236.334 2.054 20 0 BEADLP CCSC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001173302105 975199117 /nfs/dbraw/zinc/19/91/17/975199117.db2.gz OPCAYPDDXPZSKJ-LLVKDONJSA-N 2 2 240.372 2.192 20 0 BEADLP Cc1cc[nH+]c(C)c1O[C@@H](C)C[NH+](C)C ZINC001227263148 975337821 /nfs/dbraw/zinc/33/78/21/975337821.db2.gz CKNYBYYUKMXHAS-JTQLQIEISA-N 2 2 208.305 2.027 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000309014871 1167237759 /nfs/dbraw/zinc/23/77/59/1167237759.db2.gz UMKZWBIKXAESMA-IVZWLZJFSA-N 2 2 236.281 2.141 20 0 BEADLP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000309014871 1167237763 /nfs/dbraw/zinc/23/77/63/1167237763.db2.gz UMKZWBIKXAESMA-IVZWLZJFSA-N 2 2 236.281 2.141 20 0 BEADLP CCCC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309234425 1167271609 /nfs/dbraw/zinc/27/16/09/1167271609.db2.gz USPOLOCGAYRPNX-LLVKDONJSA-N 2 2 234.334 2.481 20 0 BEADLP C[NH+](C)CC[C@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001224130531 1167523881 /nfs/dbraw/zinc/52/38/81/1167523881.db2.gz JZPSWGSUNBSZOH-HNNXBMFYSA-N 2 2 248.370 2.010 20 0 BEADLP CCc1ccc(NC2CC[NH+](C)CC2)[nH+]c1 ZINC001336416455 977668210 /nfs/dbraw/zinc/66/82/10/977668210.db2.gz CCGVQPSTXQCGSB-UHFFFAOYSA-N 2 2 219.332 2.150 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCCC1 ZINC000698071579 1167608955 /nfs/dbraw/zinc/60/89/55/1167608955.db2.gz LIWBWPNFEFNHEP-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1cn2cc(C3=CC[NH2+]CC3)ccc2[nH+]1 ZINC000084394311 1167710075 /nfs/dbraw/zinc/71/00/75/1167710075.db2.gz LPLJHRDLIGTYKZ-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086935193 1168408078 /nfs/dbraw/zinc/40/80/78/1168408078.db2.gz JTOHFWFQBVOXBU-RWMBFGLXSA-N 2 2 244.448 2.446 20 0 BEADLP C[NH2+]Cc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001242992500 1168515672 /nfs/dbraw/zinc/51/56/72/1168515672.db2.gz JHOHBGXHMRXDKJ-FSCUZGFYSA-N 2 2 202.301 2.282 20 0 BEADLP Cn1c[nH+]c2cc(Nc3[nH]cc[nH+]3)ccc21 ZINC001176083875 1168703615 /nfs/dbraw/zinc/70/36/15/1168703615.db2.gz GOLMIOVDARVEEB-UHFFFAOYSA-N 2 2 213.244 2.040 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000257733434 1168973846 /nfs/dbraw/zinc/97/38/46/1168973846.db2.gz XMQZZTPBTFKDFC-HNNXBMFYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ccncc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000257733434 1168973850 /nfs/dbraw/zinc/97/38/50/1168973850.db2.gz XMQZZTPBTFKDFC-HNNXBMFYSA-N 2 2 245.370 2.108 20 0 BEADLP CCC(CC)C[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201523438 983323223 /nfs/dbraw/zinc/32/32/23/983323223.db2.gz LTCVHWBHNIAELO-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP CCC(CC)C[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201523438 983323229 /nfs/dbraw/zinc/32/32/29/983323229.db2.gz LTCVHWBHNIAELO-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172433416 974720109 /nfs/dbraw/zinc/72/01/09/974720109.db2.gz IJVQCMFHCBERAU-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172398731 974757250 /nfs/dbraw/zinc/75/72/50/974757250.db2.gz VOEJYCILSHYYSF-KBPBESRZSA-N 2 2 242.407 2.074 20 0 BEADLP CC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172398731 974757254 /nfs/dbraw/zinc/75/72/54/974757254.db2.gz VOEJYCILSHYYSF-KBPBESRZSA-N 2 2 242.407 2.074 20 0 BEADLP CC[C@@H](CC(C)C)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172398733 974759952 /nfs/dbraw/zinc/75/99/52/974759952.db2.gz VOEJYCILSHYYSF-UONOGXRCSA-N 2 2 242.407 2.074 20 0 BEADLP CC[C@@H](CC(C)C)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172398733 974759954 /nfs/dbraw/zinc/75/99/54/974759954.db2.gz VOEJYCILSHYYSF-UONOGXRCSA-N 2 2 242.407 2.074 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172445509 974806718 /nfs/dbraw/zinc/80/67/18/974806718.db2.gz QZQHVTJVQVPGIJ-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172445509 974806721 /nfs/dbraw/zinc/80/67/21/974806721.db2.gz QZQHVTJVQVPGIJ-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)([NH3+])CNc1cc(OCC2CC2)cc[nH+]1 ZINC001171191395 972836389 /nfs/dbraw/zinc/83/63/89/972836389.db2.gz SMBDJRCQBPPVPY-UHFFFAOYSA-N 2 2 235.331 2.020 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CC(C)(C[NH3+])C1 ZINC001246597823 973012398 /nfs/dbraw/zinc/01/23/98/973012398.db2.gz NLNMNYSKUNPRSW-NSHDSACASA-N 2 2 236.334 2.037 20 0 BEADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC001206053160 970814672 /nfs/dbraw/zinc/81/46/72/970814672.db2.gz MHVPASNPARGXEO-NQBHXWOUSA-N 2 2 236.359 2.361 20 0 BEADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC001206053160 970814674 /nfs/dbraw/zinc/81/46/74/970814674.db2.gz MHVPASNPARGXEO-NQBHXWOUSA-N 2 2 236.359 2.361 20 0 BEADLP CC(C)(C)[NH+]1CCC([NH2+]C2(CF)CC2)CC1 ZINC001256555344 970860399 /nfs/dbraw/zinc/86/03/99/970860399.db2.gz WOHXQAOGSQYTAT-UHFFFAOYSA-N 2 2 228.355 2.341 20 0 BEADLP CCC1([NH2+]C2CC[NH+](C(C)(C)C)CC2)COC1 ZINC001256561685 970863286 /nfs/dbraw/zinc/86/32/86/970863286.db2.gz MERNHQUJPYUQKU-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccncc1 ZINC001256718091 970936514 /nfs/dbraw/zinc/93/65/14/970936514.db2.gz BSASQVOOPPGLSY-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccncc1 ZINC001256718091 970936519 /nfs/dbraw/zinc/93/65/19/970936519.db2.gz BSASQVOOPPGLSY-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001256720870 970941386 /nfs/dbraw/zinc/94/13/86/970941386.db2.gz ZZSOBSSSXNSQTC-KGLIPLIRSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]2CF)CC1 ZINC001257223671 971133072 /nfs/dbraw/zinc/13/30/72/971133072.db2.gz VJJFQDJCXXUKSU-CYBMUJFWSA-N 2 2 228.355 2.293 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001257223671 971133065 /nfs/dbraw/zinc/13/30/65/971133065.db2.gz VJJFQDJCXXUKSU-CYBMUJFWSA-N 2 2 228.355 2.293 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001257291375 971178182 /nfs/dbraw/zinc/17/81/82/971178182.db2.gz BBECGIVGRSXZIR-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001257291375 971178184 /nfs/dbraw/zinc/17/81/84/971178184.db2.gz BBECGIVGRSXZIR-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257299023 971185698 /nfs/dbraw/zinc/18/56/98/971185698.db2.gz DSJRRLHRIOEWLN-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP CCC(CC)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257299023 971185702 /nfs/dbraw/zinc/18/57/02/971185702.db2.gz DSJRRLHRIOEWLN-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001257310348 971203305 /nfs/dbraw/zinc/20/33/05/971203305.db2.gz BPXTYZWGNLFNOP-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001257310348 971203314 /nfs/dbraw/zinc/20/33/14/971203314.db2.gz BPXTYZWGNLFNOP-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000405757241 971302977 /nfs/dbraw/zinc/30/29/77/971302977.db2.gz FMQZJZOLRMLWIF-CYBMUJFWSA-N 2 2 238.762 2.306 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000405757241 971302981 /nfs/dbraw/zinc/30/29/81/971302981.db2.gz FMQZJZOLRMLWIF-CYBMUJFWSA-N 2 2 238.762 2.306 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000405757244 971305556 /nfs/dbraw/zinc/30/55/56/971305556.db2.gz FMQZJZOLRMLWIF-ZDUSSCGKSA-N 2 2 238.762 2.306 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000405757244 971305561 /nfs/dbraw/zinc/30/55/61/971305561.db2.gz FMQZJZOLRMLWIF-ZDUSSCGKSA-N 2 2 238.762 2.306 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(C)s1 ZINC000405848198 971310868 /nfs/dbraw/zinc/31/08/68/971310868.db2.gz KXJJKTOHHFIDDU-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@](C)([NH3+])C2)c(C)s1 ZINC000405848198 971310880 /nfs/dbraw/zinc/31/08/80/971310880.db2.gz KXJJKTOHHFIDDU-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP CCCC[C@H](CC)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001257417318 971311602 /nfs/dbraw/zinc/31/16/02/971311602.db2.gz BOJHZUBARDWTST-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC[C@H](CC)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001257417318 971311607 /nfs/dbraw/zinc/31/16/07/971311607.db2.gz BOJHZUBARDWTST-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP Cn1cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c2ccccc21 ZINC000405848499 971314459 /nfs/dbraw/zinc/31/44/59/971314459.db2.gz WHWYIZJIWPEWDF-OAHLLOKOSA-N 2 2 243.354 2.101 20 0 BEADLP Cn1cc(C[N@H+]2CC[C@@](C)([NH3+])C2)c2ccccc21 ZINC000405848499 971314465 /nfs/dbraw/zinc/31/44/65/971314465.db2.gz WHWYIZJIWPEWDF-OAHLLOKOSA-N 2 2 243.354 2.101 20 0 BEADLP c1cn2cc(C[NH2+][C@H]3CCCSC3)ccc2[nH+]1 ZINC001257666786 971467736 /nfs/dbraw/zinc/46/77/36/971467736.db2.gz ABNOOCCEXUEOQB-LBPRGKRZSA-N 2 2 247.367 2.320 20 0 BEADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716379 971635470 /nfs/dbraw/zinc/63/54/70/971635470.db2.gz SQMSWJKCDUJGOP-XDQVBPFNSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721877 971650511 /nfs/dbraw/zinc/65/05/11/971650511.db2.gz ZVILKIMXAKEYAD-XDQVBPFNSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721877 971650517 /nfs/dbraw/zinc/65/05/17/971650517.db2.gz ZVILKIMXAKEYAD-XDQVBPFNSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170747628 971714361 /nfs/dbraw/zinc/71/43/61/971714361.db2.gz UKRGCDUEFKMDPY-UBSAEIQESA-N 2 2 245.370 2.442 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)C2 ZINC001170747628 971714367 /nfs/dbraw/zinc/71/43/67/971714367.db2.gz UKRGCDUEFKMDPY-UBSAEIQESA-N 2 2 245.370 2.442 20 0 BEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC000407130611 971772155 /nfs/dbraw/zinc/77/21/55/971772155.db2.gz PFHPEKXIJJAKCU-MRVPVSSYSA-N 2 2 237.174 2.283 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001172377404 974581423 /nfs/dbraw/zinc/58/14/23/974581423.db2.gz BKDFTNXQDZEWMJ-BFHYXJOUSA-N 2 2 242.407 2.441 20 0 BEADLP Cc1cc[nH+]c(C)c1N[C@H]1C[NH+]2CCC1CC2 ZINC000310099226 971937512 /nfs/dbraw/zinc/93/75/12/971937512.db2.gz JUHBBNIZIVCCGP-ZDUSSCGKSA-N 2 2 231.343 2.205 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000310301758 971969730 /nfs/dbraw/zinc/96/97/30/971969730.db2.gz QNRCUHQDOSUXGX-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000310301758 971969733 /nfs/dbraw/zinc/96/97/33/971969733.db2.gz QNRCUHQDOSUXGX-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@@H]([NH3+])CCNc1ccc(-n2cccc2)c[nH+]1 ZINC001170889984 972040195 /nfs/dbraw/zinc/04/01/95/972040195.db2.gz PDABUKCXCFHUOU-LLVKDONJSA-N 2 2 230.315 2.022 20 0 BEADLP Cc1cc2cc(NCC[C@@H](C)[NH3+])[nH+]cc2[nH]1 ZINC001170889904 972040281 /nfs/dbraw/zinc/04/02/81/972040281.db2.gz YTGBFGAMXYBKAM-MRVPVSSYSA-N 2 2 218.304 2.021 20 0 BEADLP C[N@@H+]1CCC=C(c2c[nH+]cc3cc[nH]c32)C1 ZINC001241571310 1169731534 /nfs/dbraw/zinc/73/15/34/1169731534.db2.gz XEFWKMDECPKENU-UHFFFAOYSA-N 2 2 213.284 2.282 20 0 BEADLP C[N@H+]1CCC=C(c2c[nH+]cc3cc[nH]c32)C1 ZINC001241571310 1169731538 /nfs/dbraw/zinc/73/15/38/1169731538.db2.gz XEFWKMDECPKENU-UHFFFAOYSA-N 2 2 213.284 2.282 20 0 BEADLP c1ccc2c(c1)NCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246226912 972236560 /nfs/dbraw/zinc/23/65/60/972236560.db2.gz DBRMYDOSGULUKX-DOMZBBRYSA-N 2 2 245.370 2.275 20 0 BEADLP Cc1cn2c(cccc2NC2=CC[N@H+](C)CC2)[nH+]1 ZINC001208719587 957138471 /nfs/dbraw/zinc/13/84/71/957138471.db2.gz SXKREXPUANFUPD-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP Cc1cn2c(cccc2NC2=CC[N@@H+](C)CC2)[nH+]1 ZINC001208719587 957138477 /nfs/dbraw/zinc/13/84/77/957138477.db2.gz SXKREXPUANFUPD-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC001209424657 957439739 /nfs/dbraw/zinc/43/97/39/957439739.db2.gz ATZSDPCQQQWQSJ-MRVWCRGKSA-N 2 2 246.354 2.499 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC001209424657 957439745 /nfs/dbraw/zinc/43/97/45/957439745.db2.gz ATZSDPCQQQWQSJ-MRVWCRGKSA-N 2 2 246.354 2.499 20 0 BEADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)[nH]3)C[C@@H]2C1 ZINC001209576563 957514463 /nfs/dbraw/zinc/51/44/63/957514463.db2.gz YNDACPAQPULEFI-OKILXGFUSA-N 2 2 247.386 2.097 20 0 BEADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C)[nH]3)C[C@@H]2C1 ZINC001209576563 957514472 /nfs/dbraw/zinc/51/44/72/957514472.db2.gz YNDACPAQPULEFI-OKILXGFUSA-N 2 2 247.386 2.097 20 0 BEADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C)[nH]3)C[C@@H]2C1 ZINC001209576563 957514477 /nfs/dbraw/zinc/51/44/77/957514477.db2.gz YNDACPAQPULEFI-OKILXGFUSA-N 2 2 247.386 2.097 20 0 BEADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C)[nH]3)C[C@@H]2C1 ZINC001209576563 957514486 /nfs/dbraw/zinc/51/44/86/957514486.db2.gz YNDACPAQPULEFI-OKILXGFUSA-N 2 2 247.386 2.097 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000164544714 957627648 /nfs/dbraw/zinc/62/76/48/957627648.db2.gz AYRSTJYCFTXQEU-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000164544714 957627654 /nfs/dbraw/zinc/62/76/54/957627654.db2.gz AYRSTJYCFTXQEU-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246338052 972297421 /nfs/dbraw/zinc/29/74/21/972297421.db2.gz WHGZFSOIXOPSRM-QWHCGFSZSA-N 2 2 244.448 2.496 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)oc1C ZINC001204540495 958030124 /nfs/dbraw/zinc/03/01/24/958030124.db2.gz YCAJTJVZOGVPTE-UKRRQHHQSA-N 2 2 248.370 2.280 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)oc1C ZINC001204540495 958030144 /nfs/dbraw/zinc/03/01/44/958030144.db2.gz YCAJTJVZOGVPTE-UKRRQHHQSA-N 2 2 248.370 2.280 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399226118 958572971 /nfs/dbraw/zinc/57/29/71/958572971.db2.gz NBJXGHVBJFJNMS-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246526828 972397557 /nfs/dbraw/zinc/39/75/57/972397557.db2.gz BUTATDPEAJJRNS-OCCSQVGLSA-N 2 2 248.395 2.127 20 0 BEADLP C[C@]1([NH3+])CC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246526828 972397571 /nfs/dbraw/zinc/39/75/71/972397571.db2.gz BUTATDPEAJJRNS-OCCSQVGLSA-N 2 2 248.395 2.127 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000235212927 959065140 /nfs/dbraw/zinc/06/51/40/959065140.db2.gz ORUPZUQZRLUKHO-TZMCWYRMSA-N 2 2 218.344 2.398 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000693891275 959483507 /nfs/dbraw/zinc/48/35/07/959483507.db2.gz RKGRTWBYNNDGTM-STQMWFEESA-N 2 2 238.375 2.142 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000693891275 959483538 /nfs/dbraw/zinc/48/35/38/959483538.db2.gz RKGRTWBYNNDGTM-STQMWFEESA-N 2 2 238.375 2.142 20 0 BEADLP Cc1sccc1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000309035790 959566944 /nfs/dbraw/zinc/56/69/44/959566944.db2.gz FUTKBUNEQJCESV-SKDRFNHKSA-N 2 2 224.373 2.226 20 0 BEADLP Cc1sccc1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000309035790 959566952 /nfs/dbraw/zinc/56/69/52/959566952.db2.gz FUTKBUNEQJCESV-SKDRFNHKSA-N 2 2 224.373 2.226 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000692622676 960339341 /nfs/dbraw/zinc/33/93/41/960339341.db2.gz MNRGCPRRQOZZMC-PPWQZUPISA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000692622676 960339354 /nfs/dbraw/zinc/33/93/54/960339354.db2.gz MNRGCPRRQOZZMC-PPWQZUPISA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)[C@@H](C)CO1 ZINC001140805385 960601893 /nfs/dbraw/zinc/60/18/93/960601893.db2.gz CQUFZHMAQGTTSR-WDEREUQCSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)[C@@H](C)CO1 ZINC001140805385 960601905 /nfs/dbraw/zinc/60/19/05/960601905.db2.gz CQUFZHMAQGTTSR-WDEREUQCSA-N 2 2 245.326 2.172 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1[nH]cc(C)c1C ZINC001140864279 960648591 /nfs/dbraw/zinc/64/85/91/960648591.db2.gz LTPFVXCQOVXTRJ-UHFFFAOYSA-N 2 2 237.391 2.405 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1[nH]cc(C)c1C ZINC001140864279 960648602 /nfs/dbraw/zinc/64/86/02/960648602.db2.gz LTPFVXCQOVXTRJ-UHFFFAOYSA-N 2 2 237.391 2.405 20 0 BEADLP CNc1ccc(NCc2ccc(N)[nH+]c2C)c[nH+]1 ZINC001167785720 960876210 /nfs/dbraw/zinc/87/62/10/960876210.db2.gz APVVCDLHKMAJLT-UHFFFAOYSA-N 2 2 243.314 2.021 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(NC=[NH2+])c1 ZINC001167867614 961352879 /nfs/dbraw/zinc/35/28/79/961352879.db2.gz NGROYXHKYWBMNA-UHFFFAOYSA-N 2 2 200.245 2.106 20 0 BEADLP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c(C)c1 ZINC000709825792 961674073 /nfs/dbraw/zinc/67/40/73/961674073.db2.gz BFOMKOUGBHHZAE-UHFFFAOYSA-N 2 2 244.382 2.489 20 0 BEADLP Cc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)cc(C(C)C)[nH+]1 ZINC000709843893 961707293 /nfs/dbraw/zinc/70/72/93/961707293.db2.gz XKGFVERTKKYOOJ-ZYHUDNBSSA-N 2 2 248.374 2.224 20 0 BEADLP F[C@H]1C[N@H+](Cc2ccc3[nH+]ccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021972 961868806 /nfs/dbraw/zinc/86/88/06/961868806.db2.gz JEHUHOWKMFLJGQ-AVGNSLFASA-N 2 2 245.301 2.124 20 0 BEADLP F[C@H]1C[N@@H+](Cc2ccc3[nH+]ccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021972 961868807 /nfs/dbraw/zinc/86/88/07/961868807.db2.gz JEHUHOWKMFLJGQ-AVGNSLFASA-N 2 2 245.301 2.124 20 0 BEADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167918445 961904923 /nfs/dbraw/zinc/90/49/23/961904923.db2.gz UDRUHGUDZJTGKA-LJISPDSOSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167918445 961904950 /nfs/dbraw/zinc/90/49/50/961904950.db2.gz UDRUHGUDZJTGKA-LJISPDSOSA-N 2 2 234.387 2.249 20 0 BEADLP Cc1c(F)cc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154987912 962931268 /nfs/dbraw/zinc/93/12/68/962931268.db2.gz YUDWURUCXCZYBN-ZJUUUORDSA-N 2 2 223.295 2.211 20 0 BEADLP Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)cc(C(C)C)[nH+]1 ZINC001155095294 962975846 /nfs/dbraw/zinc/97/58/46/962975846.db2.gz MKBQXAUEDDHBEK-ZYHUDNBSSA-N 2 2 248.374 2.318 20 0 BEADLP CN(c1cc2ccccc2c[nH+]1)C1CC[NH2+]CC1 ZINC001156172331 963273806 /nfs/dbraw/zinc/27/38/06/963273806.db2.gz OTVKDJQHSHLKHG-UHFFFAOYSA-N 2 2 241.338 2.423 20 0 BEADLP Cc1[nH+]c(N)ccc1CNc1[nH+]ccc(F)c1C ZINC001156981029 963506810 /nfs/dbraw/zinc/50/68/10/963506810.db2.gz SWKOZEBETXNPBE-UHFFFAOYSA-N 2 2 246.289 2.427 20 0 BEADLP CSc1cc[nH+]c(NC2(C)CC[NH2+]CC2)c1 ZINC001157402936 963597779 /nfs/dbraw/zinc/59/77/79/963597779.db2.gz JJYKMLFMMVVFPX-UHFFFAOYSA-N 2 2 237.372 2.358 20 0 BEADLP Fc1ccc(C[N@@H+]2CCC[NH2+]CC2)c2occc21 ZINC001204685252 963618256 /nfs/dbraw/zinc/61/82/56/963618256.db2.gz ZLXMMPFKIRLMGC-UHFFFAOYSA-N 2 2 248.301 2.367 20 0 BEADLP Fc1ccc(C[N@H+]2CCC[NH2+]CC2)c2occc21 ZINC001204685252 963618263 /nfs/dbraw/zinc/61/82/63/963618263.db2.gz ZLXMMPFKIRLMGC-UHFFFAOYSA-N 2 2 248.301 2.367 20 0 BEADLP CCOc1ccc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204809479 963779352 /nfs/dbraw/zinc/77/93/52/963779352.db2.gz HHIQZGDFJAZRKJ-OAHLLOKOSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1ccc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204809479 963779363 /nfs/dbraw/zinc/77/93/63/963779363.db2.gz HHIQZGDFJAZRKJ-OAHLLOKOSA-N 2 2 248.370 2.317 20 0 BEADLP CC(C)Oc1cc(NC2(C)CC[NH2+]CC2)cc[nH+]1 ZINC001168186917 963942425 /nfs/dbraw/zinc/94/24/25/963942425.db2.gz KTSMJNCYTIPJAB-UHFFFAOYSA-N 2 2 249.358 2.423 20 0 BEADLP CCSc1cc[nH+]c(NCC[C@@H](C)[NH3+])c1 ZINC001159778208 964191917 /nfs/dbraw/zinc/19/19/17/964191917.db2.gz GZERGIIOKUKTOJ-SECBINFHSA-N 2 2 225.361 2.343 20 0 BEADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(N)c[nH+]1)C2 ZINC001160468472 964307095 /nfs/dbraw/zinc/30/70/95/964307095.db2.gz ADWPRMQCTCWKBV-XYYAHUGASA-N 2 2 246.358 2.091 20 0 BEADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(N)c[nH+]1)C2 ZINC001160468472 964307107 /nfs/dbraw/zinc/30/71/07/964307107.db2.gz ADWPRMQCTCWKBV-XYYAHUGASA-N 2 2 246.358 2.091 20 0 BEADLP Cc1cc2[nH+]ccn2cc1NC1C[NH+](C(C)C)C1 ZINC001168316090 964436399 /nfs/dbraw/zinc/43/63/99/964436399.db2.gz UYWZCMOCCZWSQU-UHFFFAOYSA-N 2 2 244.342 2.147 20 0 BEADLP COc1cc(C)c[nH+]c1NCC[C@H]1CCC[N@@H+]1C ZINC001160970426 964461952 /nfs/dbraw/zinc/46/19/52/964461952.db2.gz HRLSQPHDMJXOLB-GFCCVEGCSA-N 2 2 249.358 2.295 20 0 BEADLP COc1cc(C)c[nH+]c1NCC[C@H]1CCC[N@H+]1C ZINC001160970426 964461958 /nfs/dbraw/zinc/46/19/58/964461958.db2.gz HRLSQPHDMJXOLB-GFCCVEGCSA-N 2 2 249.358 2.295 20 0 BEADLP COc1ccc(C)[nH+]c1NCC[C@H]1CCC[N@@H+]1C ZINC001160963725 964463380 /nfs/dbraw/zinc/46/33/80/964463380.db2.gz FXYIEGPHSHHKTA-GFCCVEGCSA-N 2 2 249.358 2.295 20 0 BEADLP COc1ccc(C)[nH+]c1NCC[C@H]1CCC[N@H+]1C ZINC001160963725 964463388 /nfs/dbraw/zinc/46/33/88/964463388.db2.gz FXYIEGPHSHHKTA-GFCCVEGCSA-N 2 2 249.358 2.295 20 0 BEADLP OCc1cc(Nc2cccc3[nH+]c[nH]c32)cc[nH+]1 ZINC001213028423 964486769 /nfs/dbraw/zinc/48/67/69/964486769.db2.gz PJEFTIQAOVNQPW-UHFFFAOYSA-N 2 2 240.266 2.194 20 0 BEADLP CC(C)n1c[nH+]cc1CNc1cc(N)cc[nH+]1 ZINC001161563168 964643266 /nfs/dbraw/zinc/64/32/66/964643266.db2.gz QPQMRZGZBRYOSJ-UHFFFAOYSA-N 2 2 231.303 2.053 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(NCC[NH+](C)C)c1 ZINC001161671264 964677455 /nfs/dbraw/zinc/67/74/55/964677455.db2.gz NOIHAGYEEDNECJ-UHFFFAOYSA-N 2 2 244.342 2.061 20 0 BEADLP CCOc1cc[nH+]c(N[C@]2(C)CCC[N@H+](C)C2)c1 ZINC001162340828 964939519 /nfs/dbraw/zinc/93/95/19/964939519.db2.gz GUMNLCJQUOIRIJ-CQSZACIVSA-N 2 2 249.358 2.377 20 0 BEADLP CCOc1cc[nH+]c(N[C@]2(C)CCC[N@@H+](C)C2)c1 ZINC001162340828 964939522 /nfs/dbraw/zinc/93/95/22/964939522.db2.gz GUMNLCJQUOIRIJ-CQSZACIVSA-N 2 2 249.358 2.377 20 0 BEADLP C=Cc1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)[nH+]c1 ZINC001162805075 965189037 /nfs/dbraw/zinc/18/90/37/965189037.db2.gz HZHAAZGKHRGJNT-RYUDHWBXSA-N 2 2 235.306 2.084 20 0 BEADLP Cc1cc2cc[nH]c2c(N[C@H](C)C[NH+](C)C)[nH+]1 ZINC001163773988 965577243 /nfs/dbraw/zinc/57/72/43/965577243.db2.gz XGJSTXPIVIRPNV-SNVBAGLBSA-N 2 2 232.331 2.233 20 0 BEADLP Cc1cc(N[C@H](C)C[NH+](C)C)ccc1[NH+](C)C ZINC001163782353 965588233 /nfs/dbraw/zinc/58/82/33/965588233.db2.gz GDIWBMJLOGZLTN-GFCCVEGCSA-N 2 2 235.375 2.423 20 0 BEADLP Cc1cc(N2CC(C)([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC001165121688 965964604 /nfs/dbraw/zinc/96/46/04/965964604.db2.gz XJKCKZLSVAKDDY-UHFFFAOYSA-N 2 2 248.374 2.049 20 0 BEADLP CC(C)Oc1cc[nH+]c(N2CC(C)([NH+](C)C)C2)c1 ZINC001165117662 965965762 /nfs/dbraw/zinc/96/57/62/965965762.db2.gz IXOXNVGHRQZWFX-UHFFFAOYSA-N 2 2 249.358 2.009 20 0 BEADLP CCOc1cc[nH+]c(N(C)CC[NH+]2CCCC2)c1 ZINC001165139768 965970465 /nfs/dbraw/zinc/97/04/65/965970465.db2.gz FRSMRGJUVIDKCX-UHFFFAOYSA-N 2 2 249.358 2.012 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000379741539 1169885982 /nfs/dbraw/zinc/88/59/82/1169885982.db2.gz LMVOOJSIJGUNNK-JTNHKYCSSA-N 2 2 236.334 2.178 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000379741539 1169885993 /nfs/dbraw/zinc/88/59/93/1169885993.db2.gz LMVOOJSIJGUNNK-JTNHKYCSSA-N 2 2 236.334 2.178 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C)OCc1ccccc1 ZINC001205171317 966204594 /nfs/dbraw/zinc/20/45/94/966204594.db2.gz MYBDCNOTWKSWHU-GZBFAFLISA-N 2 2 248.370 2.013 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])[C@H]1C)OCc1ccccc1 ZINC001205171317 966204612 /nfs/dbraw/zinc/20/46/12/966204612.db2.gz MYBDCNOTWKSWHU-GZBFAFLISA-N 2 2 248.370 2.013 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2c[nH]c3c2cccc3F)C1 ZINC001206718325 966411545 /nfs/dbraw/zinc/41/15/45/966411545.db2.gz OWIKCPMRJBDCQK-UHFFFAOYSA-N 2 2 247.317 2.088 20 0 BEADLP C[NH2+]Cc1cccc(Nc2[nH+]cccc2N)c1 ZINC001167032533 966527176 /nfs/dbraw/zinc/52/71/76/966527176.db2.gz FDNGWNDVYNEOAN-UHFFFAOYSA-N 2 2 228.299 2.127 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001236865166 966599309 /nfs/dbraw/zinc/59/93/09/966599309.db2.gz FZMQQYPVHLPDEI-ZDUSSCGKSA-N 2 2 231.343 2.337 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001236865166 966599330 /nfs/dbraw/zinc/59/93/30/966599330.db2.gz FZMQQYPVHLPDEI-ZDUSSCGKSA-N 2 2 231.343 2.337 20 0 BEADLP Cc1cc[nH+]cc1NCC(C)(C)C[NH+](C)C ZINC001168768088 966738747 /nfs/dbraw/zinc/73/87/47/966738747.db2.gz PQOGZDBEHRGRKV-UHFFFAOYSA-N 2 2 221.348 2.390 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001204002466 966844808 /nfs/dbraw/zinc/84/48/08/966844808.db2.gz OAOHVWWLLIUGQK-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001204002466 966844812 /nfs/dbraw/zinc/84/48/12/966844812.db2.gz OAOHVWWLLIUGQK-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204098849 966895054 /nfs/dbraw/zinc/89/50/54/966895054.db2.gz KXONBSXJLQUZRZ-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204098849 966895058 /nfs/dbraw/zinc/89/50/58/966895058.db2.gz KXONBSXJLQUZRZ-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP Cc1nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc[nH+]1 ZINC001168601664 966970765 /nfs/dbraw/zinc/97/07/65/966970765.db2.gz UAOFPSXRSOWJOI-RYUDHWBXSA-N 2 2 234.347 2.070 20 0 BEADLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)o1 ZINC001204393976 966990345 /nfs/dbraw/zinc/99/03/45/966990345.db2.gz GIZFZGSZSBYLMC-BETUJISGSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)o1 ZINC001204393976 966990349 /nfs/dbraw/zinc/99/03/49/966990349.db2.gz GIZFZGSZSBYLMC-BETUJISGSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)o1 ZINC001204393976 966990354 /nfs/dbraw/zinc/99/03/54/966990354.db2.gz GIZFZGSZSBYLMC-BETUJISGSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)o1 ZINC001204393976 966990357 /nfs/dbraw/zinc/99/03/57/966990357.db2.gz GIZFZGSZSBYLMC-BETUJISGSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)o1 ZINC001204393980 966992164 /nfs/dbraw/zinc/99/21/64/966992164.db2.gz GIZFZGSZSBYLMC-STQMWFEESA-N 2 2 248.370 2.226 20 0 BEADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)oc1C ZINC001204532548 967029702 /nfs/dbraw/zinc/02/97/02/967029702.db2.gz YYFKAPXHLMAAGG-UHFFFAOYSA-N 2 2 236.359 2.422 20 0 BEADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)oc1C ZINC001204532548 967029704 /nfs/dbraw/zinc/02/97/04/967029704.db2.gz YYFKAPXHLMAAGG-UHFFFAOYSA-N 2 2 236.359 2.422 20 0 BEADLP C[NH+](C)Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001204632145 967110343 /nfs/dbraw/zinc/11/03/43/967110343.db2.gz UQUNYRMHXAKWCM-UHFFFAOYSA-N 2 2 227.311 2.392 20 0 BEADLP c1cc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc2o1 ZINC001204660837 967120615 /nfs/dbraw/zinc/12/06/15/967120615.db2.gz NYBISYHQQMMWKB-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP c1cc2cc(C[N@H+]3CCC[NH2+]CC3)ccc2o1 ZINC001204660837 967120625 /nfs/dbraw/zinc/12/06/25/967120625.db2.gz NYBISYHQQMMWKB-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP Cc1ccc2c(C[N@@H+]3CC[C@](C)([NH3+])C3)c[nH]c2c1 ZINC001204770566 967161341 /nfs/dbraw/zinc/16/13/41/967161341.db2.gz GVRWHWYXSWKLSU-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1ccc2c(C[N@H+]3CC[C@](C)([NH3+])C3)c[nH]c2c1 ZINC001204770566 967161346 /nfs/dbraw/zinc/16/13/46/967161346.db2.gz GVRWHWYXSWKLSU-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCCc1ccccc1 ZINC000162929979 967180283 /nfs/dbraw/zinc/18/02/83/967180283.db2.gz RUKNRRHCQJWLNH-UHFFFAOYSA-N 2 2 220.360 2.161 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCCc1ccccc1 ZINC000162929979 967180289 /nfs/dbraw/zinc/18/02/89/967180289.db2.gz RUKNRRHCQJWLNH-UHFFFAOYSA-N 2 2 220.360 2.161 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC12CC2 ZINC001204911647 967230112 /nfs/dbraw/zinc/23/01/12/967230112.db2.gz KWTRNQYCRDDVKT-OAHLLOKOSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC12CC2 ZINC001204911647 967230120 /nfs/dbraw/zinc/23/01/20/967230120.db2.gz KWTRNQYCRDDVKT-OAHLLOKOSA-N 2 2 242.366 2.487 20 0 BEADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001204937597 967242125 /nfs/dbraw/zinc/24/21/25/967242125.db2.gz FVZKKZQTIJNIJX-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001204937597 967242139 /nfs/dbraw/zinc/24/21/39/967242139.db2.gz FVZKKZQTIJNIJX-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP Nc1[nH+]c2ccccc2n1-c1ccn2cc[nH+]c2c1 ZINC001204951722 967252629 /nfs/dbraw/zinc/25/26/29/967252629.db2.gz XVKSEALVHOTOQA-UHFFFAOYSA-N 2 2 249.277 2.255 20 0 BEADLP COc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064124 967320438 /nfs/dbraw/zinc/32/04/38/967320438.db2.gz ITCCWSAFHAWZGB-AAEUAGOBSA-N 2 2 234.343 2.007 20 0 BEADLP COc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064124 967320450 /nfs/dbraw/zinc/32/04/50/967320450.db2.gz ITCCWSAFHAWZGB-AAEUAGOBSA-N 2 2 234.343 2.007 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC001205117925 967364129 /nfs/dbraw/zinc/36/41/29/967364129.db2.gz ZALISCKVUARKGY-SECBINFHSA-N 2 2 228.723 2.246 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC001205117925 967364141 /nfs/dbraw/zinc/36/41/41/967364141.db2.gz ZALISCKVUARKGY-SECBINFHSA-N 2 2 228.723 2.246 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ncccc2Cl)CC1 ZINC001205116698 967364310 /nfs/dbraw/zinc/36/43/10/967364310.db2.gz GUDPGZGKSSBRED-SNVBAGLBSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ncccc2Cl)CC1 ZINC001205116698 967364314 /nfs/dbraw/zinc/36/43/14/967364314.db2.gz GUDPGZGKSSBRED-SNVBAGLBSA-N 2 2 239.750 2.048 20 0 BEADLP CCc1csc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205116646 967366461 /nfs/dbraw/zinc/36/64/61/967366461.db2.gz FLCHEEHDBNPZHL-SNVBAGLBSA-N 2 2 239.388 2.019 20 0 BEADLP CCc1csc(C[N@H+]2CCC[C@@H]([NH3+])CC2)n1 ZINC001205116646 967366470 /nfs/dbraw/zinc/36/64/70/967366470.db2.gz FLCHEEHDBNPZHL-SNVBAGLBSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1csc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205265642 967458271 /nfs/dbraw/zinc/45/82/71/967458271.db2.gz QHNXHDCLRANOCQ-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1csc(C[N@H+]2CCC[C@](C)([NH3+])CC2)n1 ZINC001205265642 967458279 /nfs/dbraw/zinc/45/82/79/967458279.db2.gz QHNXHDCLRANOCQ-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1cc(O)cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205838134 967849504 /nfs/dbraw/zinc/84/95/04/967849504.db2.gz AYYGTSSYUOZTRY-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(O)cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205838134 967849505 /nfs/dbraw/zinc/84/95/05/967849505.db2.gz AYYGTSSYUOZTRY-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3c2CCCC3)C[C@H]1[NH3+] ZINC001206070173 968038183 /nfs/dbraw/zinc/03/81/83/968038183.db2.gz CTPZWWRBMCPQRQ-MLGOLLRUSA-N 2 2 244.382 2.344 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3c2CCCC3)C[C@H]1[NH3+] ZINC001206070173 968038194 /nfs/dbraw/zinc/03/81/94/968038194.db2.gz CTPZWWRBMCPQRQ-MLGOLLRUSA-N 2 2 244.382 2.344 20 0 BEADLP Cc1cc[nH+]c(N[C@H](C)C[NH+](C)C)c1C ZINC001163772768 968114638 /nfs/dbraw/zinc/11/46/38/968114638.db2.gz OQHSJPSHIDZUGJ-SNVBAGLBSA-N 2 2 207.321 2.060 20 0 BEADLP CCc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)o1 ZINC000697904064 968157240 /nfs/dbraw/zinc/15/72/40/968157240.db2.gz MVURSPVHFUZZKO-NSHDSACASA-N 2 2 224.348 2.272 20 0 BEADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cscn2)C1 ZINC001206550133 968377002 /nfs/dbraw/zinc/37/70/02/968377002.db2.gz VWMLJXQEUVJXEY-GFCCVEGCSA-N 2 2 239.388 2.094 20 0 BEADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cscn2)C1 ZINC001206550133 968377012 /nfs/dbraw/zinc/37/70/12/968377012.db2.gz VWMLJXQEUVJXEY-GFCCVEGCSA-N 2 2 239.388 2.094 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC2=CCCC2)C1 ZINC001206720384 968440873 /nfs/dbraw/zinc/44/08/73/968440873.db2.gz FQXSLCRKXFUOFD-ZDUSSCGKSA-N 2 2 208.349 2.171 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC2=CCCC2)C1 ZINC001206720384 968440876 /nfs/dbraw/zinc/44/08/76/968440876.db2.gz FQXSLCRKXFUOFD-ZDUSSCGKSA-N 2 2 208.349 2.171 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CCc2ccc(F)cc2)CC[N@@H+]1C ZINC001119980986 968491683 /nfs/dbraw/zinc/49/16/83/968491683.db2.gz QHQNFNFGBGFHLV-RISCZKNCSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC001119980986 968491692 /nfs/dbraw/zinc/49/16/92/968491692.db2.gz QHQNFNFGBGFHLV-RISCZKNCSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CCc2ccc(F)cc2)CC[N@@H+]1C ZINC001119980984 968493880 /nfs/dbraw/zinc/49/38/80/968493880.db2.gz QHQNFNFGBGFHLV-BXUZGUMPSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC001119980984 968493899 /nfs/dbraw/zinc/49/38/99/968493899.db2.gz QHQNFNFGBGFHLV-BXUZGUMPSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822128552 968506368 /nfs/dbraw/zinc/50/63/68/968506368.db2.gz NUAHMNOZOHSELU-UTUOFQBUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000822128552 968506378 /nfs/dbraw/zinc/50/63/78/968506378.db2.gz NUAHMNOZOHSELU-UTUOFQBUSA-N 2 2 210.365 2.247 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001207626274 968839794 /nfs/dbraw/zinc/83/97/94/968839794.db2.gz DCXAIPANGYNRLI-FZKCQIBNSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001207626274 968839800 /nfs/dbraw/zinc/83/98/00/968839800.db2.gz DCXAIPANGYNRLI-FZKCQIBNSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001207626274 968839804 /nfs/dbraw/zinc/83/98/04/968839804.db2.gz DCXAIPANGYNRLI-FZKCQIBNSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@H]2C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001207626274 968839806 /nfs/dbraw/zinc/83/98/06/968839806.db2.gz DCXAIPANGYNRLI-FZKCQIBNSA-N 2 2 246.398 2.369 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632102 968847486 /nfs/dbraw/zinc/84/74/86/968847486.db2.gz MEXULIKZUOJZJE-GCSSGZNBSA-N 2 2 246.398 2.225 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632102 968847488 /nfs/dbraw/zinc/84/74/88/968847488.db2.gz MEXULIKZUOJZJE-GCSSGZNBSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632102 968847494 /nfs/dbraw/zinc/84/74/94/968847494.db2.gz MEXULIKZUOJZJE-GCSSGZNBSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@@H]21 ZINC001207632102 968847496 /nfs/dbraw/zinc/84/74/96/968847496.db2.gz MEXULIKZUOJZJE-GCSSGZNBSA-N 2 2 246.398 2.225 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@H]2CCCC[N@@H+]2C)C1 ZINC001207730234 968869552 /nfs/dbraw/zinc/86/95/52/968869552.db2.gz VFHUTTWSXUUUHE-ROKHWSDSSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@H]2CCCC[N@H+]2C)C1 ZINC001207730234 968869555 /nfs/dbraw/zinc/86/95/55/968869555.db2.gz VFHUTTWSXUUUHE-ROKHWSDSSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)CC1(C[N@@H+]2CC[C@@H](F)C2)CCCC1 ZINC001208184966 969117155 /nfs/dbraw/zinc/11/71/55/969117155.db2.gz RMRVKRXUQNYLOO-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP C[NH+](C)CC1(C[N@H+]2CC[C@@H](F)C2)CCCC1 ZINC001208184966 969117158 /nfs/dbraw/zinc/11/71/58/969117158.db2.gz RMRVKRXUQNYLOO-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CCOC(C)(C)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001209074891 969338102 /nfs/dbraw/zinc/33/81/02/969338102.db2.gz JCZMKNDHMBNRAJ-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP CCOC(C)(C)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001209074891 969338107 /nfs/dbraw/zinc/33/81/07/969338107.db2.gz JCZMKNDHMBNRAJ-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP Cc1ccnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169078359 969398823 /nfs/dbraw/zinc/39/88/23/969398823.db2.gz DLNWSBCOQXIBQU-XMQYKBBCSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccnc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078359 969398831 /nfs/dbraw/zinc/39/88/31/969398831.db2.gz DLNWSBCOQXIBQU-XMQYKBBCSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC001209424654 969494540 /nfs/dbraw/zinc/49/45/40/969494540.db2.gz ATZSDPCQQQWQSJ-FPMFFAJLSA-N 2 2 246.354 2.499 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC001209424654 969494547 /nfs/dbraw/zinc/49/45/47/969494547.db2.gz ATZSDPCQQQWQSJ-FPMFFAJLSA-N 2 2 246.354 2.499 20 0 BEADLP Nc1cc[nH+]cc1C[NH+]1CCCCCCC1 ZINC001209732123 969596831 /nfs/dbraw/zinc/59/68/31/969596831.db2.gz WVKJKCTWQJBMQY-UHFFFAOYSA-N 2 2 219.332 2.260 20 0 BEADLP CN(c1ccc2[nH]c[nH+]c2c1)c1cc(N)cc[nH+]1 ZINC001209848548 969662652 /nfs/dbraw/zinc/66/26/52/969662652.db2.gz OEPCYPJMABQZIS-UHFFFAOYSA-N 2 2 239.282 2.308 20 0 BEADLP F[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832257 969794106 /nfs/dbraw/zinc/79/41/06/969794106.db2.gz DKDZFBIRONABIP-BFHYXJOUSA-N 2 2 240.366 2.199 20 0 BEADLP C([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCC1 ZINC001254833617 969795165 /nfs/dbraw/zinc/79/51/65/969795165.db2.gz QFPJFAUSJFUFAS-AWEZNQCLSA-N 2 2 222.376 2.251 20 0 BEADLP C1=CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847667 969799998 /nfs/dbraw/zinc/79/99/98/969799998.db2.gz IGCOKQJHPMNZGC-UONOGXRCSA-N 2 2 220.360 2.169 20 0 BEADLP C1[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C12CCC2 ZINC001254848384 969803895 /nfs/dbraw/zinc/80/38/95/969803895.db2.gz OLKRCOYYTFSBME-QWHCGFSZSA-N 2 2 220.360 2.003 20 0 BEADLP C1[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C12CCCC2 ZINC001254846929 969804289 /nfs/dbraw/zinc/80/42/89/969804289.db2.gz YIFJVSQNIZTODW-KGLIPLIRSA-N 2 2 234.387 2.393 20 0 BEADLP CCCC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001255312476 970081638 /nfs/dbraw/zinc/08/16/38/970081638.db2.gz PMZXFGKMIHZQLD-SNVBAGLBSA-N 2 2 209.337 2.444 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001170065493 970133052 /nfs/dbraw/zinc/13/30/52/970133052.db2.gz ZPFLFACHTRMOQQ-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1[nH+]cn([C@H]2CC[C@H](C)C2)c1CC[NH3+] ZINC001170098049 970272274 /nfs/dbraw/zinc/27/22/74/970272274.db2.gz KHZPGXGWLRRPPM-ONGXEEELSA-N 2 2 207.321 2.054 20 0 BEADLP CCN(CCn1cc[nH+]c1)c1ccc(C)c(C)[nH+]1 ZINC001157459591 970329282 /nfs/dbraw/zinc/32/92/82/970329282.db2.gz BOQZJWCSNNDLNW-UHFFFAOYSA-N 2 2 244.342 2.421 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC001170116692 970337820 /nfs/dbraw/zinc/33/78/20/970337820.db2.gz FUNNTVXJSYYRAQ-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC001170116692 970337835 /nfs/dbraw/zinc/33/78/35/970337835.db2.gz FUNNTVXJSYYRAQ-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])cc1 ZINC001255759480 970471633 /nfs/dbraw/zinc/47/16/33/970471633.db2.gz WRHVCQUONFWKDC-CYZMBNFOSA-N 2 2 236.384 2.165 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001170156330 970482125 /nfs/dbraw/zinc/48/21/25/970482125.db2.gz DARUGFXNDLKZPC-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001170156330 970482133 /nfs/dbraw/zinc/48/21/33/970482133.db2.gz DARUGFXNDLKZPC-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001170156330 970482139 /nfs/dbraw/zinc/48/21/39/970482139.db2.gz DARUGFXNDLKZPC-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001170156330 970482144 /nfs/dbraw/zinc/48/21/44/970482144.db2.gz DARUGFXNDLKZPC-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP FC1(F)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073021 970639650 /nfs/dbraw/zinc/63/96/50/970639650.db2.gz LYMAYRXCLBKKCB-UHFFFAOYSA-N 2 2 244.329 2.344 20 0 BEADLP C[N@H+](Cc1ccccn1)C1CC[NH+](C2CC2)CC1 ZINC001256072331 970639750 /nfs/dbraw/zinc/63/97/50/970639750.db2.gz BQELLZPJHDESEX-UHFFFAOYSA-N 2 2 245.370 2.140 20 0 BEADLP C[N@@H+](Cc1ccccn1)C1CC[NH+](C2CC2)CC1 ZINC001256072331 970639753 /nfs/dbraw/zinc/63/97/53/970639753.db2.gz BQELLZPJHDESEX-UHFFFAOYSA-N 2 2 245.370 2.140 20 0 BEADLP F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](C2CC2)CC1 ZINC001256081028 970650788 /nfs/dbraw/zinc/65/07/88/970650788.db2.gz LNVSJHVGRREYHU-BPNCWPANSA-N 2 2 238.350 2.046 20 0 BEADLP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](C2CC2)CC1 ZINC001256081028 970650791 /nfs/dbraw/zinc/65/07/91/970650791.db2.gz LNVSJHVGRREYHU-BPNCWPANSA-N 2 2 238.350 2.046 20 0 BEADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108785 970661645 /nfs/dbraw/zinc/66/16/45/970661645.db2.gz OLGHKPYFRNKGNL-BYNSBNAKSA-N 2 2 230.355 2.402 20 0 BEADLP COc1cccc(C[C@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001256145913 970668807 /nfs/dbraw/zinc/66/88/07/970668807.db2.gz OKUYSSDQKVHUNX-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001256145913 970668818 /nfs/dbraw/zinc/66/88/18/970668818.db2.gz OKUYSSDQKVHUNX-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256207222 970714111 /nfs/dbraw/zinc/71/41/11/970714111.db2.gz CXEPKBPVBASMRA-HNNXBMFYSA-N 2 2 245.370 2.313 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256207222 970714123 /nfs/dbraw/zinc/71/41/23/970714123.db2.gz CXEPKBPVBASMRA-HNNXBMFYSA-N 2 2 245.370 2.313 20 0 BEADLP C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246549629 972694899 /nfs/dbraw/zinc/69/48/99/972694899.db2.gz LMVOOJSIJGUNNK-MISXGVKJSA-N 2 2 236.334 2.178 20 0 BEADLP C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246549629 972694903 /nfs/dbraw/zinc/69/49/03/972694903.db2.gz LMVOOJSIJGUNNK-MISXGVKJSA-N 2 2 236.334 2.178 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570140 972837860 /nfs/dbraw/zinc/83/78/60/972837860.db2.gz SWSYFBWNQJQSDD-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570140 972837866 /nfs/dbraw/zinc/83/78/66/972837866.db2.gz SWSYFBWNQJQSDD-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)COc1cc(NCC(C)(C)[NH3+])cc[nH+]1 ZINC001171193903 972852026 /nfs/dbraw/zinc/85/20/26/972852026.db2.gz GLCQPHUKXPPOSC-UHFFFAOYSA-N 2 2 237.347 2.266 20 0 BEADLP C[C@@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1F ZINC001246590010 972994995 /nfs/dbraw/zinc/99/49/95/972994995.db2.gz RKJNLYAQHXXRJT-NRUFJFEESA-N 2 2 244.329 2.041 20 0 BEADLP C[C@@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1F ZINC001246590010 972995002 /nfs/dbraw/zinc/99/50/02/972995002.db2.gz RKJNLYAQHXXRJT-NRUFJFEESA-N 2 2 244.329 2.041 20 0 BEADLP CCC[C@H](Cc1ccccc1)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246614603 973035463 /nfs/dbraw/zinc/03/54/63/973035463.db2.gz PEOXBBZDRBNSGY-OAHLLOKOSA-N 2 2 244.382 2.303 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246660271 973066603 /nfs/dbraw/zinc/06/66/03/973066603.db2.gz SKXVVWTYLNFWIE-MEBFFEOJSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@@H](C)C1 ZINC001246660271 973066622 /nfs/dbraw/zinc/06/66/22/973066622.db2.gz SKXVVWTYLNFWIE-MEBFFEOJSA-N 2 2 222.376 2.234 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001246919134 973479120 /nfs/dbraw/zinc/47/91/20/973479120.db2.gz MQBNXDWZZQGRQZ-UGUYLWEFSA-N 2 2 242.366 2.226 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001246919134 973479132 /nfs/dbraw/zinc/47/91/32/973479132.db2.gz MQBNXDWZZQGRQZ-UGUYLWEFSA-N 2 2 242.366 2.226 20 0 BEADLP CC(C)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000044353193 973716501 /nfs/dbraw/zinc/71/65/01/973716501.db2.gz QVSYPRFSVLNPOV-UHFFFAOYSA-N 2 2 209.337 2.299 20 0 BEADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])cc1 ZINC001171660654 974125077 /nfs/dbraw/zinc/12/50/77/974125077.db2.gz NNTRVHJGIUPZCV-IACUBPJLSA-N 2 2 218.344 2.005 20 0 BEADLP Cc1ccc(CC[C@H](C)[NH2+]CC2C[NH+](C)C2)cc1 ZINC001171664152 974126049 /nfs/dbraw/zinc/12/60/49/974126049.db2.gz TXMJGIMUCLIMQO-AWEZNQCLSA-N 2 2 246.398 2.467 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172315225 974521889 /nfs/dbraw/zinc/52/18/89/974521889.db2.gz GJIHGYJOLJOBCP-MCIONIFRSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172315225 974521892 /nfs/dbraw/zinc/52/18/92/974521892.db2.gz GJIHGYJOLJOBCP-MCIONIFRSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])C[C@@H]1C ZINC001172357290 974626418 /nfs/dbraw/zinc/62/64/18/974626418.db2.gz BRLKYEZANFDBPM-GRYCIOLGSA-N 2 2 221.348 2.382 20 0 BEADLP CC[C@@H](CC(C)C)n1cc[nH+]c1CC[NH3+] ZINC001172388585 974735090 /nfs/dbraw/zinc/73/50/90/974735090.db2.gz FSVBOTXCSDSOHC-NSHDSACASA-N 2 2 209.337 2.382 20 0 BEADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172840221 974955793 /nfs/dbraw/zinc/95/57/93/974955793.db2.gz CUERYRIRXHSWEK-UPZJHPNMSA-N 2 2 242.725 2.099 20 0 BEADLP CC[C@H]1CC[C@H](n2c[nH+]c(C)c2CC[NH3+])C1 ZINC001173264507 975124050 /nfs/dbraw/zinc/12/40/50/975124050.db2.gz MLHXGFWCYBPBED-RYUDHWBXSA-N 2 2 221.348 2.444 20 0 BEADLP CCc1ccc(C[C@@H](C)[NH2+]CC2C[NH+](C)C2)cc1 ZINC001173236873 975161607 /nfs/dbraw/zinc/16/16/07/975161607.db2.gz BFEZKRWATIMXAN-CYBMUJFWSA-N 2 2 246.398 2.331 20 0 BEADLP Cc1cc(C)[nH+]c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC001333356098 975706716 /nfs/dbraw/zinc/70/67/16/975706716.db2.gz KQUVGAPDMBMTCW-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cc(C)[nH+]c(CN(C)CC[N@@H+](C)C2CC2)c1 ZINC001333356098 975706737 /nfs/dbraw/zinc/70/67/37/975706737.db2.gz KQUVGAPDMBMTCW-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP CCOc1cc(Nc2cc[nH+]cc2)cc(C)[nH+]1 ZINC001173881506 975919322 /nfs/dbraw/zinc/91/93/22/975919322.db2.gz WGNXSZAQCVSDSN-UHFFFAOYSA-N 2 2 229.283 2.349 20 0 BEADLP Cc1cn2cccc(Nc3cc[nH+]cc3)c2[nH+]1 ZINC001173881889 975922534 /nfs/dbraw/zinc/92/25/34/975922534.db2.gz LFAGGHYFZRSUSO-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP c1cn(-c2ccccc2Nc2cc[nH+]cc2)c[nH+]1 ZINC001173882806 975950090 /nfs/dbraw/zinc/95/00/90/975950090.db2.gz VIOPKERXFDAZQY-UHFFFAOYSA-N 2 2 236.278 2.433 20 0 BEADLP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC001333825480 976108002 /nfs/dbraw/zinc/10/80/02/976108002.db2.gz HGEOIWRIXPQBRE-HZSPNIEDSA-N 2 2 245.370 2.248 20 0 BEADLP [NH3+]CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000259646330 976613897 /nfs/dbraw/zinc/61/38/97/976613897.db2.gz XFGOEYYQCWFQHA-UHFFFAOYSA-N 2 2 243.354 2.306 20 0 BEADLP Cc1c[nH+]ccc1Nc1cccc2[nH+]ccn21 ZINC001174535875 976812990 /nfs/dbraw/zinc/81/29/90/976812990.db2.gz CHASFROOUSKVCV-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP CCOc1cc[nH+]cc1Nc1cc[nH+]c(C)c1 ZINC001174654280 976943634 /nfs/dbraw/zinc/94/36/34/976943634.db2.gz ZZNZICDBFHAZQV-UHFFFAOYSA-N 2 2 229.283 2.349 20 0 BEADLP Cc1cc(F)cc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC001336569441 977787071 /nfs/dbraw/zinc/78/70/71/977787071.db2.gz MWTRWOHRFXXRIC-UHFFFAOYSA-N 2 2 235.306 2.203 20 0 BEADLP Cc1cc(F)cc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC001336569441 977787088 /nfs/dbraw/zinc/78/70/88/977787088.db2.gz MWTRWOHRFXXRIC-UHFFFAOYSA-N 2 2 235.306 2.203 20 0 BEADLP Cc1cc(O)c[nH+]c1Nc1ccc(C[NH3+])cc1 ZINC001175965159 977832784 /nfs/dbraw/zinc/83/27/84/977832784.db2.gz SMIOSYDIDCWEHM-UHFFFAOYSA-N 2 2 229.283 2.298 20 0 BEADLP CN(C)c1ccc[nH+]c1Nc1ccc(C[NH3+])cc1 ZINC001175967657 977838495 /nfs/dbraw/zinc/83/84/95/977838495.db2.gz SXUXHGFAWZDNQX-UHFFFAOYSA-N 2 2 242.326 2.350 20 0 BEADLP c1c[nH+]c(Nc2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC001176084845 977887117 /nfs/dbraw/zinc/88/71/17/977887117.db2.gz RMYWGDGEUDZDRC-UHFFFAOYSA-N 2 2 239.282 2.398 20 0 BEADLP Cc1[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c[nH+]1 ZINC001232461198 978095632 /nfs/dbraw/zinc/09/56/32/978095632.db2.gz YQOAVARKVRCYAM-AOOOYVTPSA-N 2 2 241.285 2.195 20 0 BEADLP Cc1[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c[nH+]1 ZINC001232461198 978095642 /nfs/dbraw/zinc/09/56/42/978095642.db2.gz YQOAVARKVRCYAM-AOOOYVTPSA-N 2 2 241.285 2.195 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)[nH+]1 ZINC001337431703 978336077 /nfs/dbraw/zinc/33/60/77/978336077.db2.gz LURLWJIBIUMBAM-WCFLWFBJSA-N 2 2 249.333 2.281 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC001337431703 978336090 /nfs/dbraw/zinc/33/60/90/978336090.db2.gz LURLWJIBIUMBAM-WCFLWFBJSA-N 2 2 249.333 2.281 20 0 BEADLP CCc1ccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]c1 ZINC001338063132 978602781 /nfs/dbraw/zinc/60/27/81/978602781.db2.gz IPDVSJCBAZWKGF-KBPBESRZSA-N 2 2 245.370 2.174 20 0 BEADLP CCc1ccc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]c1 ZINC001338063132 978602784 /nfs/dbraw/zinc/60/27/84/978602784.db2.gz IPDVSJCBAZWKGF-KBPBESRZSA-N 2 2 245.370 2.174 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233749617 978688224 /nfs/dbraw/zinc/68/82/24/978688224.db2.gz UNOQKUCYURTVNI-ZDUSSCGKSA-N 2 2 245.326 2.196 20 0 BEADLP CC(C)[N@H+]1CC[C@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233749617 978688231 /nfs/dbraw/zinc/68/82/31/978688231.db2.gz UNOQKUCYURTVNI-ZDUSSCGKSA-N 2 2 245.326 2.196 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001180311045 978855809 /nfs/dbraw/zinc/85/58/09/978855809.db2.gz WPDCZTDOKVJGGY-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001180311045 978855810 /nfs/dbraw/zinc/85/58/10/978855810.db2.gz WPDCZTDOKVJGGY-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070748163 978888554 /nfs/dbraw/zinc/88/85/54/978888554.db2.gz UIEXBWYODUZORN-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC=C(C)C)C1 ZINC001180847748 978951441 /nfs/dbraw/zinc/95/14/41/978951441.db2.gz CISSERONSPDYAU-CYBMUJFWSA-N 2 2 210.365 2.417 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC=C(C)C)C1 ZINC001180847748 978951434 /nfs/dbraw/zinc/95/14/34/978951434.db2.gz CISSERONSPDYAU-CYBMUJFWSA-N 2 2 210.365 2.417 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235065099 978966962 /nfs/dbraw/zinc/96/69/62/978966962.db2.gz JWTNVMVDQAMTON-INIZCTEOSA-N 2 2 244.382 2.495 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235065099 978966966 /nfs/dbraw/zinc/96/69/66/978966966.db2.gz JWTNVMVDQAMTON-INIZCTEOSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1cccc(F)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235244824 979003099 /nfs/dbraw/zinc/00/30/99/979003099.db2.gz LSUTXANDAUXNGV-IUODEOHRSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cccc(F)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235244824 979003104 /nfs/dbraw/zinc/00/31/04/979003104.db2.gz LSUTXANDAUXNGV-IUODEOHRSA-N 2 2 248.345 2.447 20 0 BEADLP CC[NH2+]CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001235666505 979110751 /nfs/dbraw/zinc/11/07/51/979110751.db2.gz SEHOWOMBHOSBMU-HNNXBMFYSA-N 2 2 232.371 2.476 20 0 BEADLP CC[NH2+]CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001235666505 979110756 /nfs/dbraw/zinc/11/07/56/979110756.db2.gz SEHOWOMBHOSBMU-HNNXBMFYSA-N 2 2 232.371 2.476 20 0 BEADLP COc1ccccc1C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC001235906748 979204727 /nfs/dbraw/zinc/20/47/27/979204727.db2.gz SKTIFDYLZUAZJN-GFCCVEGCSA-N 2 2 248.370 2.222 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC001235984085 979267400 /nfs/dbraw/zinc/26/74/00/979267400.db2.gz ARVFXVQSFDGKOH-WFASDCNBSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC001235984085 979267409 /nfs/dbraw/zinc/26/74/09/979267409.db2.gz ARVFXVQSFDGKOH-WFASDCNBSA-N 2 2 242.322 2.356 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991086 979276154 /nfs/dbraw/zinc/27/61/54/979276154.db2.gz OAGGDQMQWRPWKD-IUODEOHRSA-N 2 2 248.345 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991086 979276160 /nfs/dbraw/zinc/27/61/60/979276160.db2.gz OAGGDQMQWRPWKD-IUODEOHRSA-N 2 2 248.345 2.366 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995039 979284565 /nfs/dbraw/zinc/28/45/65/979284565.db2.gz UZXGJVGPHDKRQI-HOTGVXAUSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995039 979284584 /nfs/dbraw/zinc/28/45/84/979284584.db2.gz UZXGJVGPHDKRQI-HOTGVXAUSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc3occc31)C2 ZINC001235994165 979284925 /nfs/dbraw/zinc/28/49/25/979284925.db2.gz SLNOHQYPMOEJLE-WFASDCNBSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc3occc31)C2 ZINC001235994165 979284934 /nfs/dbraw/zinc/28/49/34/979284934.db2.gz SLNOHQYPMOEJLE-WFASDCNBSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC001235997892 979289207 /nfs/dbraw/zinc/28/92/07/979289207.db2.gz XBHNZTSOJYQFOR-DZGCQCFKSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC001235997892 979289217 /nfs/dbraw/zinc/28/92/17/979289217.db2.gz XBHNZTSOJYQFOR-DZGCQCFKSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC001235997897 979294219 /nfs/dbraw/zinc/29/42/19/979294219.db2.gz XBHNZTSOJYQFOR-UKRRQHHQSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC001235997897 979294227 /nfs/dbraw/zinc/29/42/27/979294227.db2.gz XBHNZTSOJYQFOR-UKRRQHHQSA-N 2 2 242.322 2.356 20 0 BEADLP CC[N@H+](Cc1ccc(NC)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008157 979296434 /nfs/dbraw/zinc/29/64/34/979296434.db2.gz DYJPWGIHBGEGIJ-OAHLLOKOSA-N 2 2 247.386 2.302 20 0 BEADLP CC[N@@H+](Cc1ccc(NC)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008157 979296439 /nfs/dbraw/zinc/29/64/39/979296439.db2.gz DYJPWGIHBGEGIJ-OAHLLOKOSA-N 2 2 247.386 2.302 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236030867 979327830 /nfs/dbraw/zinc/32/78/30/979327830.db2.gz XCAGIDPEJITAAP-ZFWWWQNUSA-N 2 2 230.355 2.090 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236030867 979327842 /nfs/dbraw/zinc/32/78/42/979327842.db2.gz XCAGIDPEJITAAP-ZFWWWQNUSA-N 2 2 230.355 2.090 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001236170286 979423521 /nfs/dbraw/zinc/42/35/21/979423521.db2.gz WTZCLUHEJHHCMF-CQSZACIVSA-N 2 2 242.322 2.078 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001236170286 979423535 /nfs/dbraw/zinc/42/35/35/979423535.db2.gz WTZCLUHEJHHCMF-CQSZACIVSA-N 2 2 242.322 2.078 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001236170281 979424048 /nfs/dbraw/zinc/42/40/48/979424048.db2.gz WTZCLUHEJHHCMF-AWEZNQCLSA-N 2 2 242.322 2.078 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001236170281 979424061 /nfs/dbraw/zinc/42/40/61/979424061.db2.gz WTZCLUHEJHHCMF-AWEZNQCLSA-N 2 2 242.322 2.078 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2cccc3sccc32)C1 ZINC001236174442 979437275 /nfs/dbraw/zinc/43/72/75/979437275.db2.gz QPOIONNBBVEBTN-NSHDSACASA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc3sccc32)C1 ZINC001236174442 979437280 /nfs/dbraw/zinc/43/72/80/979437280.db2.gz QPOIONNBBVEBTN-NSHDSACASA-N 2 2 232.352 2.434 20 0 BEADLP CC[NH2+]CC[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236335821 979538417 /nfs/dbraw/zinc/53/84/17/979538417.db2.gz MKEIJMOZHSXDLA-UHFFFAOYSA-N 2 2 247.386 2.058 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001182796457 979640307 /nfs/dbraw/zinc/64/03/07/979640307.db2.gz VIFBGQKALJPCQN-VOMCLLRMSA-N 2 2 244.329 2.248 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001182796457 979640314 /nfs/dbraw/zinc/64/03/14/979640314.db2.gz VIFBGQKALJPCQN-VOMCLLRMSA-N 2 2 244.329 2.248 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cccc(F)c12 ZINC001236866165 979769006 /nfs/dbraw/zinc/76/90/06/979769006.db2.gz VNBXLBKYNBKKHI-NSHDSACASA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cccc(F)c12 ZINC001236866165 979769022 /nfs/dbraw/zinc/76/90/22/979769022.db2.gz VNBXLBKYNBKKHI-NSHDSACASA-N 2 2 249.333 2.476 20 0 BEADLP CCc1ccccc1C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001236868685 979770798 /nfs/dbraw/zinc/77/07/98/979770798.db2.gz FSRCZWOBOCAELC-AWEZNQCLSA-N 2 2 220.360 2.418 20 0 BEADLP CCc1ccccc1C[N@H+](C)C[C@@H]([NH3+])CC ZINC001236868685 979770809 /nfs/dbraw/zinc/77/08/09/979770809.db2.gz FSRCZWOBOCAELC-AWEZNQCLSA-N 2 2 220.360 2.418 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2onc(C)c2c1 ZINC001236883406 979778892 /nfs/dbraw/zinc/77/88/92/979778892.db2.gz FXYVBZOAESLVAG-LBPRGKRZSA-N 2 2 247.342 2.305 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2onc(C)c2c1 ZINC001236883406 979778908 /nfs/dbraw/zinc/77/89/08/979778908.db2.gz FXYVBZOAESLVAG-LBPRGKRZSA-N 2 2 247.342 2.305 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001238094662 980145999 /nfs/dbraw/zinc/14/59/99/980145999.db2.gz AMIPAMZALDEWQK-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1ccc(O)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001238094662 980146003 /nfs/dbraw/zinc/14/60/03/980146003.db2.gz AMIPAMZALDEWQK-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1cc(C2=CCC[NH2+]CC2)cc(C)[nH+]1 ZINC001238939741 980377697 /nfs/dbraw/zinc/37/76/97/980377697.db2.gz KCLURRUSQXOLEE-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1ccsc1Cl ZINC001345103541 980551330 /nfs/dbraw/zinc/55/13/30/980551330.db2.gz GOXQMVULVRTIEY-MRVPVSSYSA-N 2 2 232.780 2.489 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(F)c1F ZINC001348516626 981381318 /nfs/dbraw/zinc/38/13/18/981381318.db2.gz UXIZZMGETDHNDB-VIFPVBQESA-N 2 2 228.286 2.052 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC001348851625 981459016 /nfs/dbraw/zinc/45/90/16/981459016.db2.gz DQHIGRSFLOIZIY-ZJUUUORDSA-N 2 2 224.373 2.406 20 0 BEADLP COc1cc2[nH+]c[nH]c2cc1C=C1CC[NH2+]CC1 ZINC001240877364 981928764 /nfs/dbraw/zinc/92/87/64/981928764.db2.gz UOPNETVWURMWOO-UHFFFAOYSA-N 2 2 243.310 2.338 20 0 BEADLP Nc1cc(-c2ccccc2C2([NH3+])CC2)cc[nH+]1 ZINC001241170125 982319573 /nfs/dbraw/zinc/31/95/73/982319573.db2.gz JLPXQJMVWBBXHM-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP C[N@H+]1CC=C(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001241307285 982442203 /nfs/dbraw/zinc/44/22/03/982442203.db2.gz BJVDXULIYMJWKC-UHFFFAOYSA-N 2 2 213.284 2.282 20 0 BEADLP C[N@@H+]1CC=C(c2cc3[nH]ccc3c[nH+]2)CC1 ZINC001241307285 982442208 /nfs/dbraw/zinc/44/22/08/982442208.db2.gz BJVDXULIYMJWKC-UHFFFAOYSA-N 2 2 213.284 2.282 20 0 BEADLP Cc1cc(N(C)C)[nH+]cc1C1=CC[N@H+](C)CC1 ZINC001241319453 982476590 /nfs/dbraw/zinc/47/65/90/982476590.db2.gz JYDHEHWVNVSRSD-UHFFFAOYSA-N 2 2 231.343 2.175 20 0 BEADLP Cc1cc(N(C)C)[nH+]cc1C1=CC[N@@H+](C)CC1 ZINC001241319453 982476602 /nfs/dbraw/zinc/47/66/02/982476602.db2.gz JYDHEHWVNVSRSD-UHFFFAOYSA-N 2 2 231.343 2.175 20 0 BEADLP Cc1cn2cc(C3=CC[N@H+](C)CC3)ccc2[nH+]1 ZINC001241322445 982485131 /nfs/dbraw/zinc/48/51/31/982485131.db2.gz NXWFGUDHVAVOQW-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cn2cc(C3=CC[N@@H+](C)CC3)ccc2[nH+]1 ZINC001241322445 982485135 /nfs/dbraw/zinc/48/51/35/982485135.db2.gz NXWFGUDHVAVOQW-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205853418 982867901 /nfs/dbraw/zinc/86/79/01/982867901.db2.gz ILNAPXFNFPEDCD-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(O)cc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205853418 982867902 /nfs/dbraw/zinc/86/79/02/982867902.db2.gz ILNAPXFNFPEDCD-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205853426 982868847 /nfs/dbraw/zinc/86/88/47/982868847.db2.gz ILNAPXFNFPEDCD-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(O)cc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205853426 982868849 /nfs/dbraw/zinc/86/88/49/982868849.db2.gz ILNAPXFNFPEDCD-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Fc1cccc(/C=C/C[NH2+]CCn2cc[nH+]c2)c1 ZINC001198943205 982873341 /nfs/dbraw/zinc/87/33/41/982873341.db2.gz VNZQEHFRAIMGKL-DUXPYHPUSA-N 2 2 245.301 2.325 20 0 BEADLP CNc1cc(-c2ccc(C[NH3+])cc2)cc[nH+]1 ZINC001241917970 983137480 /nfs/dbraw/zinc/13/74/80/983137480.db2.gz NQEMZLNCZPMOLO-UHFFFAOYSA-N 2 2 213.284 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201429825 983229702 /nfs/dbraw/zinc/22/97/02/983229702.db2.gz XGXFRVGILRDPKA-RBSFLKMASA-N 2 2 234.387 2.369 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201429825 983229706 /nfs/dbraw/zinc/22/97/06/983229706.db2.gz XGXFRVGILRDPKA-RBSFLKMASA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201429825 983229717 /nfs/dbraw/zinc/22/97/17/983229717.db2.gz XGXFRVGILRDPKA-RBSFLKMASA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]21 ZINC001201429825 983229723 /nfs/dbraw/zinc/22/97/23/983229723.db2.gz XGXFRVGILRDPKA-RBSFLKMASA-N 2 2 234.387 2.369 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@@H]21 ZINC001202114630 983563393 /nfs/dbraw/zinc/56/33/93/983563393.db2.gz BWIUILIIOMWULD-STQMWFEESA-N 2 2 224.392 2.449 20 0 BEADLP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@@H]21 ZINC001202114630 983563413 /nfs/dbraw/zinc/56/34/13/983563413.db2.gz BWIUILIIOMWULD-STQMWFEESA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@@H]21 ZINC001202114630 983563443 /nfs/dbraw/zinc/56/34/43/983563443.db2.gz BWIUILIIOMWULD-STQMWFEESA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]21 ZINC001202114630 983563447 /nfs/dbraw/zinc/56/34/47/983563447.db2.gz BWIUILIIOMWULD-STQMWFEESA-N 2 2 224.392 2.449 20 0 BEADLP C[C@@]1([NH2+]Cc2cccc3cc[nH]c32)CC[NH2+]C1 ZINC001573625445 984035027 /nfs/dbraw/zinc/03/50/27/984035027.db2.gz JTXVNYZBUQDLGH-CQSZACIVSA-N 2 2 229.327 2.010 20 0 BEADLP C[NH2+]Cc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001242989942 984354237 /nfs/dbraw/zinc/35/42/37/984354237.db2.gz GIZSNJMACABIBS-UHFFFAOYSA-N 2 2 227.311 2.359 20 0 BEADLP C[NH2+]Cc1cccc(-c2ccc[nH+]c2N)c1 ZINC001242997293 984362071 /nfs/dbraw/zinc/36/20/71/984362071.db2.gz KPYVFSYCSNXNJO-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP Cn1c[nH+]cc1-c1ccccc1C1([NH3+])CCC1 ZINC001243069346 984487847 /nfs/dbraw/zinc/48/78/47/984487847.db2.gz FVPLCXJDGNTIQQ-UHFFFAOYSA-N 2 2 227.311 2.425 20 0 BEADLP Cn1c[nH+]cc1-c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001243069127 984490682 /nfs/dbraw/zinc/49/06/82/984490682.db2.gz AMGRCFUBHMJIBX-ZDUSSCGKSA-N 2 2 227.311 2.164 20 0 BEADLP Cn1c[nH+]cc1-c1ccc2[nH]cc(C[NH3+])c2c1 ZINC001243073033 984509480 /nfs/dbraw/zinc/50/94/80/984509480.db2.gz WVFCUWAYLMJLLU-UHFFFAOYSA-N 2 2 226.283 2.027 20 0 BEADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccco1)C2 ZINC001275235275 984525369 /nfs/dbraw/zinc/52/53/69/984525369.db2.gz QLNIZUDUFKXCHY-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccco1)C2 ZINC001275235275 984525381 /nfs/dbraw/zinc/52/53/81/984525381.db2.gz QLNIZUDUFKXCHY-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccco1)C2 ZINC001275235275 984525391 /nfs/dbraw/zinc/52/53/91/984525391.db2.gz QLNIZUDUFKXCHY-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2 ZINC001275235275 984525398 /nfs/dbraw/zinc/52/53/98/984525398.db2.gz QLNIZUDUFKXCHY-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP Cc1ccccc1C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275278614 984527861 /nfs/dbraw/zinc/52/78/61/984527861.db2.gz OFFNUYOMWICPDT-UHFFFAOYSA-N 2 2 230.355 2.133 20 0 BEADLP Cc1ccccc1C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275278614 984527878 /nfs/dbraw/zinc/52/78/78/984527878.db2.gz OFFNUYOMWICPDT-UHFFFAOYSA-N 2 2 230.355 2.133 20 0 BEADLP C[C@H]1CC(n2cc[nH+]c2CC[NH3+])C[C@H](C)C1 ZINC000719345542 984635953 /nfs/dbraw/zinc/63/59/53/984635953.db2.gz JJPYPQGZGUBURQ-GHMZBOCLSA-N 2 2 221.348 2.382 20 0 BEADLP CCOc1cc(F)cc(C[NH2+]C(C)(C)C[NH3+])c1 ZINC001578168328 984867984 /nfs/dbraw/zinc/86/79/84/984867984.db2.gz HPTUAGGAKQTPTN-UHFFFAOYSA-N 2 2 240.322 2.051 20 0 BEADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001578241646 984893582 /nfs/dbraw/zinc/89/35/82/984893582.db2.gz GHVVQPKFOGGBKA-IIQYJXCPSA-N 2 2 230.355 2.430 20 0 BEADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257346018 984911777 /nfs/dbraw/zinc/91/17/77/984911777.db2.gz XVLAPVVWNNGMBN-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257346018 984911809 /nfs/dbraw/zinc/91/18/09/984911809.db2.gz XVLAPVVWNNGMBN-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP CCCC[C@@H](CC)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001257417325 984974869 /nfs/dbraw/zinc/97/48/69/984974869.db2.gz BOJHZUBARDWTST-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC[C@@H](CC)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001257417325 984974892 /nfs/dbraw/zinc/97/48/92/984974892.db2.gz BOJHZUBARDWTST-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@H]([NH3+])c1cccc(-c2ccc[nH+]c2N)c1 ZINC001243473595 985023776 /nfs/dbraw/zinc/02/37/76/985023776.db2.gz NHFKPKWOJUNDIH-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP COc1cc[nH+]cc1/C=C/C1CC[NH2+]CC1 ZINC001243892434 985563024 /nfs/dbraw/zinc/56/30/24/985563024.db2.gz IPRLWIYFVXTFRI-NSCUHMNNSA-N 2 2 218.300 2.103 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000688730517 985716908 /nfs/dbraw/zinc/71/69/08/985716908.db2.gz FMTNISOVQMEXEZ-NXEZZACHSA-N 2 2 234.334 2.337 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000688730517 985716926 /nfs/dbraw/zinc/71/69/26/985716926.db2.gz FMTNISOVQMEXEZ-NXEZZACHSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC001579499615 986027101 /nfs/dbraw/zinc/02/71/01/986027101.db2.gz YJIVCIADCXTDNF-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579672523 986175126 /nfs/dbraw/zinc/17/51/26/986175126.db2.gz FNCNWXYMHALNJI-DZGCQCFKSA-N 2 2 230.355 2.097 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579672523 986175138 /nfs/dbraw/zinc/17/51/38/986175138.db2.gz FNCNWXYMHALNJI-DZGCQCFKSA-N 2 2 230.355 2.097 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC001462248267 986325868 /nfs/dbraw/zinc/32/58/68/986325868.db2.gz OGRPANFRAFQZRX-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC001462248267 986325879 /nfs/dbraw/zinc/32/58/79/986325879.db2.gz OGRPANFRAFQZRX-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC001462639731 986479755 /nfs/dbraw/zinc/47/97/55/986479755.db2.gz BSTMLALGMOFFHS-GFCCVEGCSA-N 2 2 246.345 2.148 20 0 BEADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC001462639731 986479781 /nfs/dbraw/zinc/47/97/81/986479781.db2.gz BSTMLALGMOFFHS-GFCCVEGCSA-N 2 2 246.345 2.148 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000383179512 986787004 /nfs/dbraw/zinc/78/70/04/986787004.db2.gz MPPXLQBQWVZRJK-LBPRGKRZSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000383179512 986787019 /nfs/dbraw/zinc/78/70/19/986787019.db2.gz MPPXLQBQWVZRJK-LBPRGKRZSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC(C)(C)C1 ZINC001246080253 987370970 /nfs/dbraw/zinc/37/09/70/987370970.db2.gz DZKHXAGSQVNJMS-VOAKCMCISA-N 2 2 242.382 2.491 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C[NH2+]1 ZINC001246080782 987378857 /nfs/dbraw/zinc/37/88/57/987378857.db2.gz OVUSHYBYQISNAF-LRDDRELGSA-N 2 2 244.382 2.405 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246086518 987385345 /nfs/dbraw/zinc/38/53/45/987385345.db2.gz CYNRMLKHCOIEPS-KGLIPLIRSA-N 2 2 242.407 2.313 20 0 BEADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCCCCCC1 ZINC001246086295 987386831 /nfs/dbraw/zinc/38/68/31/987386831.db2.gz KLQJOIRLBVNBKE-CHWSQXEVSA-N 2 2 228.355 2.389 20 0 BEADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088299 987390182 /nfs/dbraw/zinc/39/01/82/987390182.db2.gz SXKQUEIQEVADMZ-AVGNSLFASA-N 2 2 228.355 2.411 20 0 BEADLP CCCCC(CCCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246089960 987395242 /nfs/dbraw/zinc/39/52/42/987395242.db2.gz TZLRVYQDHNRCBN-CQSZACIVSA-N 2 2 242.407 2.313 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090730 987398380 /nfs/dbraw/zinc/39/83/80/987398380.db2.gz YOSLBPYGJHCCKA-BFHYXJOUSA-N 2 2 242.407 2.169 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246094656 987404392 /nfs/dbraw/zinc/40/43/92/987404392.db2.gz XBEOQPPDSYJXDO-ZIAGYGMSSA-N 2 2 242.407 2.313 20 0 BEADLP CC[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)[C@@H]1C ZINC001473403593 987425440 /nfs/dbraw/zinc/42/54/40/987425440.db2.gz VQMMSPNWYJKFDA-DGCLKSJQSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)[C@@H]1C ZINC001473403593 987425442 /nfs/dbraw/zinc/42/54/42/987425442.db2.gz VQMMSPNWYJKFDA-DGCLKSJQSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246104581 987432959 /nfs/dbraw/zinc/43/29/59/987432959.db2.gz BHDOHLZFGYEKPH-LPWJVIDDSA-N 2 2 230.371 2.491 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246136935 987492142 /nfs/dbraw/zinc/49/21/42/987492142.db2.gz YSLLWYGASWFXGD-BXUZGUMPSA-N 2 2 248.345 2.098 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246136936 987493241 /nfs/dbraw/zinc/49/32/41/987493241.db2.gz YSLLWYGASWFXGD-FZMZJTMJSA-N 2 2 248.345 2.098 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+][C@@H](C)C2)c(C)c1 ZINC001246184995 987559570 /nfs/dbraw/zinc/55/95/70/987559570.db2.gz PVEKLKNTWKTWLO-KBPBESRZSA-N 2 2 232.371 2.452 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116428229 987566993 /nfs/dbraw/zinc/56/69/93/987566993.db2.gz AYUFJLNTFQNEDU-ZIAGYGMSSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116428229 987567007 /nfs/dbraw/zinc/56/70/07/987567007.db2.gz AYUFJLNTFQNEDU-ZIAGYGMSSA-N 2 2 233.359 2.395 20 0 BEADLP Cc1csc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246187029 987568505 /nfs/dbraw/zinc/56/85/05/987568505.db2.gz FBRVLRDNKNPCJE-FBIMIBRVSA-N 2 2 239.388 2.243 20 0 BEADLP c1ccc(CC2([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246194067 987582986 /nfs/dbraw/zinc/58/29/86/987582986.db2.gz YZWGMBZMSMYKGX-CQSZACIVSA-N 2 2 230.355 2.103 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001246197196 987590146 /nfs/dbraw/zinc/59/01/46/987590146.db2.gz ZDYHQIABOMTLJV-CORIIIEPSA-N 2 2 230.355 2.404 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]2c2ccccc2)C[NH2+]1 ZINC001246212052 987610143 /nfs/dbraw/zinc/61/01/43/987610143.db2.gz PIRZHRNBMZNOKF-NGFQHRJXSA-N 2 2 230.355 2.273 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNc3ccccc32)C[NH2+]1 ZINC001246229911 987625343 /nfs/dbraw/zinc/62/53/43/987625343.db2.gz LWTPRBXLSTYHSA-TYNCELHUSA-N 2 2 245.370 2.273 20 0 BEADLP c1cc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001246231929 987628056 /nfs/dbraw/zinc/62/80/56/987628056.db2.gz VEPWRNSOTPVQNU-ZDUSSCGKSA-N 2 2 229.327 2.010 20 0 BEADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238608 987637942 /nfs/dbraw/zinc/63/79/42/987637942.db2.gz GEVWCOPVVRKUHY-IHRRRGAJSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N)cc1 ZINC001246291271 987681096 /nfs/dbraw/zinc/68/10/96/987681096.db2.gz TUHWTVFAMJHBHK-SUNKGSAMSA-N 2 2 233.359 2.060 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335356 987742769 /nfs/dbraw/zinc/74/27/69/987742769.db2.gz HUDHKPVFOHHOAJ-YNEHKIRRSA-N 2 2 244.448 2.496 20 0 BEADLP FC1(F)CCC2(C[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246382408 987775846 /nfs/dbraw/zinc/77/58/46/987775846.db2.gz DCGVKPDZELXGML-QWRGUYRKSA-N 2 2 244.329 2.296 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC001474694270 987803446 /nfs/dbraw/zinc/80/34/46/987803446.db2.gz YGZKWKLXNVFUKE-JTQLQIEISA-N 2 2 232.318 2.248 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC001474694270 987803450 /nfs/dbraw/zinc/80/34/50/987803450.db2.gz YGZKWKLXNVFUKE-JTQLQIEISA-N 2 2 232.318 2.248 20 0 BEADLP Fc1ncccc1[C@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001246456725 987812409 /nfs/dbraw/zinc/81/24/09/987812409.db2.gz LIXGRPCQPQUIQQ-CYBMUJFWSA-N 2 2 249.333 2.013 20 0 BEADLP Fc1cccnc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001246456293 987814378 /nfs/dbraw/zinc/81/43/78/987814378.db2.gz KTDVNYNFDLDPPN-ZDUSSCGKSA-N 2 2 249.333 2.013 20 0 BEADLP Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC001117584830 987849754 /nfs/dbraw/zinc/84/97/54/987849754.db2.gz WRSCBZWPOVJKAL-KGLIPLIRSA-N 2 2 234.387 2.466 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC001246508181 987862149 /nfs/dbraw/zinc/86/21/49/987862149.db2.gz QWUGCKOHVKYLFP-AYRXBEOTSA-N 2 2 248.370 2.232 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525583 987877797 /nfs/dbraw/zinc/87/77/97/987877797.db2.gz JUMSNOXVPSGFBC-SCDSUCTJSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2[C@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525583 987877800 /nfs/dbraw/zinc/87/78/00/987877800.db2.gz JUMSNOXVPSGFBC-SCDSUCTJSA-N 2 2 249.358 2.260 20 0 BEADLP COc1cccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001246548460 987938630 /nfs/dbraw/zinc/93/86/30/987938630.db2.gz ILTCNMGHISOESU-YWPYICTPSA-N 2 2 248.370 2.048 20 0 BEADLP COc1cccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001246548460 987938642 /nfs/dbraw/zinc/93/86/42/987938642.db2.gz ILTCNMGHISOESU-YWPYICTPSA-N 2 2 248.370 2.048 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001246552260 987949791 /nfs/dbraw/zinc/94/97/91/987949791.db2.gz XMWRYMCCAGFHQD-IXPVHAAZSA-N 2 2 248.345 2.105 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001246552260 987949793 /nfs/dbraw/zinc/94/97/93/987949793.db2.gz XMWRYMCCAGFHQD-IXPVHAAZSA-N 2 2 248.345 2.105 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001118020381 987986233 /nfs/dbraw/zinc/98/62/33/987986233.db2.gz VKKONSQATZRZSK-VIFPVBQESA-N 2 2 228.286 2.052 20 0 BEADLP CCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572694 988058203 /nfs/dbraw/zinc/05/82/03/988058203.db2.gz AVLZSXRILDDCBN-RYUDHWBXSA-N 2 2 216.344 2.328 20 0 BEADLP CCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572694 988058217 /nfs/dbraw/zinc/05/82/17/988058217.db2.gz AVLZSXRILDDCBN-RYUDHWBXSA-N 2 2 216.344 2.328 20 0 BEADLP CCCC(CCC)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246576951 988088539 /nfs/dbraw/zinc/08/85/39/988088539.db2.gz QGPIGEMRTIBCAY-GHMZBOCLSA-N 2 2 216.344 2.326 20 0 BEADLP CCCC(CCC)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246576951 988088552 /nfs/dbraw/zinc/08/85/52/988088552.db2.gz QGPIGEMRTIBCAY-GHMZBOCLSA-N 2 2 216.344 2.326 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C[C@@H](C)C1 ZINC001246589199 988158611 /nfs/dbraw/zinc/15/86/11/988158611.db2.gz ZKIJVBKQTWDKLX-MLGHIDQZSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C[C@@H](C)C1 ZINC001246589199 988158633 /nfs/dbraw/zinc/15/86/33/988158633.db2.gz ZKIJVBKQTWDKLX-MLGHIDQZSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H](F)C2)C[C@H]1C ZINC001246589314 988161320 /nfs/dbraw/zinc/16/13/20/988161320.db2.gz ZNEWKSBJNPATQQ-LBELIVKGSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]([NH3+])C[C@H](F)C2)C[C@H]1C ZINC001246589314 988161331 /nfs/dbraw/zinc/16/13/31/988161331.db2.gz ZNEWKSBJNPATQQ-LBELIVKGSA-N 2 2 228.355 2.182 20 0 BEADLP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612825 988242469 /nfs/dbraw/zinc/24/24/69/988242469.db2.gz IEYOFSGHEUNDFP-STQMWFEESA-N 2 2 224.392 2.352 20 0 BEADLP FC1(F)CC2(C1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246624333 988279432 /nfs/dbraw/zinc/27/94/32/988279432.db2.gz MMFSURNLZZPQSZ-LLVKDONJSA-N 2 2 244.329 2.250 20 0 BEADLP CC1(C)CCC[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246651269 988375884 /nfs/dbraw/zinc/37/58/84/988375884.db2.gz CJXKYNYCQSGVNH-SGMGOOAPSA-N 2 2 222.376 2.378 20 0 BEADLP CC1(C)CCC[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1 ZINC001246651269 988375889 /nfs/dbraw/zinc/37/58/89/988375889.db2.gz CJXKYNYCQSGVNH-SGMGOOAPSA-N 2 2 222.376 2.378 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246657590 988386647 /nfs/dbraw/zinc/38/66/47/988386647.db2.gz ONUKYASBJOVDSF-ZOBORPQBSA-N 2 2 240.391 2.003 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246657590 988386656 /nfs/dbraw/zinc/38/66/56/988386656.db2.gz ONUKYASBJOVDSF-ZOBORPQBSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246663133 988398872 /nfs/dbraw/zinc/39/88/72/988398872.db2.gz WYYAXBZNWCPZEU-CORIIIEPSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246663133 988398883 /nfs/dbraw/zinc/39/88/83/988398883.db2.gz WYYAXBZNWCPZEU-CORIIIEPSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665855 988403993 /nfs/dbraw/zinc/40/39/93/988403993.db2.gz UVBQHDOEKMHLFU-NNYUYHANSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665855 988403996 /nfs/dbraw/zinc/40/39/96/988403996.db2.gz UVBQHDOEKMHLFU-NNYUYHANSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793295 988474465 /nfs/dbraw/zinc/47/44/65/988474465.db2.gz USBRBRBVSGNOLE-SNPRPXQTSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793295 988474485 /nfs/dbraw/zinc/47/44/85/988474485.db2.gz USBRBRBVSGNOLE-SNPRPXQTSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797619 988478430 /nfs/dbraw/zinc/47/84/30/988478430.db2.gz UTMUMNHTOZFRIQ-MCIONIFRSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797619 988478438 /nfs/dbraw/zinc/47/84/38/988478438.db2.gz UTMUMNHTOZFRIQ-MCIONIFRSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C(F)F)C2)C[NH2+]1 ZINC001246805816 988486059 /nfs/dbraw/zinc/48/60/59/988486059.db2.gz DVQGIMDSSFJMQO-MXWKQRLJSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C(F)F)C2)C[NH2+]1 ZINC001246805816 988486067 /nfs/dbraw/zinc/48/60/67/988486067.db2.gz DVQGIMDSSFJMQO-MXWKQRLJSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822647 988511571 /nfs/dbraw/zinc/51/15/71/988511571.db2.gz MHQYRXXJVDGHES-JQWIXIFHSA-N 2 2 234.318 2.282 20 0 BEADLP C[C@H]1C[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822647 988511580 /nfs/dbraw/zinc/51/15/80/988511580.db2.gz MHQYRXXJVDGHES-JQWIXIFHSA-N 2 2 234.318 2.282 20 0 BEADLP C1CC12CCCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246847535 988565419 /nfs/dbraw/zinc/56/54/19/988565419.db2.gz TXMVSLDHOCWKOW-FUNVUKJBSA-N 2 2 220.360 2.288 20 0 BEADLP C1CC12CCCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246847535 988565424 /nfs/dbraw/zinc/56/54/24/988565424.db2.gz TXMVSLDHOCWKOW-FUNVUKJBSA-N 2 2 220.360 2.288 20 0 BEADLP F[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246853607 988573996 /nfs/dbraw/zinc/57/39/96/988573996.db2.gz NCTPRHTVDXHNBP-CHWSQXEVSA-N 2 2 240.366 2.343 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246918069 988713285 /nfs/dbraw/zinc/71/32/85/988713285.db2.gz UHXYERMKOCNOHT-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246918069 988713313 /nfs/dbraw/zinc/71/33/13/988713313.db2.gz UHXYERMKOCNOHT-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP COCC[N@H+]([C@H](C)CCC(C)C)[C@@H]1CC[NH2+]C1 ZINC001246927593 988753771 /nfs/dbraw/zinc/75/37/71/988753771.db2.gz HGUZXYTZAHPOER-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@@H+]([C@H](C)CCC(C)C)[C@@H]1CC[NH2+]C1 ZINC001246927593 988753784 /nfs/dbraw/zinc/75/37/84/988753784.db2.gz HGUZXYTZAHPOER-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001119348133 988991085 /nfs/dbraw/zinc/99/10/85/988991085.db2.gz WEZSBJDQVPCWBF-SUNKGSAMSA-N 2 2 216.328 2.268 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001119348133 988991091 /nfs/dbraw/zinc/99/10/91/988991091.db2.gz WEZSBJDQVPCWBF-SUNKGSAMSA-N 2 2 216.328 2.268 20 0 BEADLP CCc1ccc(N2CCC(C[NH+](C)C)CC2)[nH+]c1 ZINC001120803805 989888985 /nfs/dbraw/zinc/88/89/85/989888985.db2.gz HBNFVLLMWOVZDH-UHFFFAOYSA-N 2 2 247.386 2.422 20 0 BEADLP CSCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258212772 991131476 /nfs/dbraw/zinc/13/14/76/991131476.db2.gz IQFSXOXALRJJKQ-NSHDSACASA-N 2 2 230.421 2.154 20 0 BEADLP CSCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258212772 991131485 /nfs/dbraw/zinc/13/14/85/991131485.db2.gz IQFSXOXALRJJKQ-NSHDSACASA-N 2 2 230.421 2.154 20 0 BEADLP C[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139355770 991228674 /nfs/dbraw/zinc/22/86/74/991228674.db2.gz APOIBIDXCBUTBG-LBPRGKRZSA-N 2 2 227.311 2.467 20 0 BEADLP C[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139355770 991228683 /nfs/dbraw/zinc/22/86/83/991228683.db2.gz APOIBIDXCBUTBG-LBPRGKRZSA-N 2 2 227.311 2.467 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001261891039 992565063 /nfs/dbraw/zinc/56/50/63/992565063.db2.gz WVHOLXPXNWASGR-SFYZADRCSA-N 2 2 247.264 2.098 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C/C=C/c1cccc(F)c1 ZINC001576005234 993153557 /nfs/dbraw/zinc/15/35/57/993153557.db2.gz KQFNMIJFIXIVRY-DUMNWFOQSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC001576005234 993153563 /nfs/dbraw/zinc/15/35/63/993153563.db2.gz KQFNMIJFIXIVRY-DUMNWFOQSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C/C=C/c1cccc(F)c1 ZINC001576149671 993192486 /nfs/dbraw/zinc/19/24/86/993192486.db2.gz JSDKNQKMEPIZQJ-MALLOTDXSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC001576149671 993192490 /nfs/dbraw/zinc/19/24/90/993192490.db2.gz JSDKNQKMEPIZQJ-MALLOTDXSA-N 2 2 222.307 2.118 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC1C[NH+](C)C1 ZINC000379437475 993241299 /nfs/dbraw/zinc/24/12/99/993241299.db2.gz MEQVXFVXJACDIY-WCQYABFASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+]CC1C[NH+](C)C1 ZINC000379481432 993248261 /nfs/dbraw/zinc/24/82/61/993248261.db2.gz XVNBNFVCJMZTFG-HNNXBMFYSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000379771456 993274360 /nfs/dbraw/zinc/27/43/60/993274360.db2.gz QXDZJFMZJNWCLK-IAQYHMDHSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000379771456 993274370 /nfs/dbraw/zinc/27/43/70/993274370.db2.gz QXDZJFMZJNWCLK-IAQYHMDHSA-N 2 2 230.355 2.097 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001576379942 993285881 /nfs/dbraw/zinc/28/58/81/993285881.db2.gz CXIXSHAEDTZCEP-VXGBXAGGSA-N 2 2 245.326 2.043 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](CC[NH3+])C(F)F ZINC001576583152 993355778 /nfs/dbraw/zinc/35/57/78/993355778.db2.gz MZEMDWFCSFLDIP-BBBLOLIVSA-N 2 2 234.334 2.383 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](CC[NH3+])C(F)F ZINC001576583157 993356178 /nfs/dbraw/zinc/35/61/78/993356178.db2.gz MZEMDWFCSFLDIP-OPRDCNLKSA-N 2 2 234.334 2.383 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](CC[NH3+])C(F)F ZINC001576583154 993356760 /nfs/dbraw/zinc/35/67/60/993356760.db2.gz MZEMDWFCSFLDIP-KXUCPTDWSA-N 2 2 234.334 2.383 20 0 BEADLP Cc1cc(N2CCC[C@@H]([NH3+])[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000381424495 993394178 /nfs/dbraw/zinc/39/41/78/993394178.db2.gz BGGVTPJKXMARKJ-NWDGAFQWSA-N 2 2 248.374 2.224 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/C2CC2)C[N@@H+]1C1CC1 ZINC000382310316 993449234 /nfs/dbraw/zinc/44/92/34/993449234.db2.gz PXABLLWFGHZUAK-FTYDKLPRSA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C/C=C/C2CC2)C[N@H+]1C1CC1 ZINC000382310316 993449238 /nfs/dbraw/zinc/44/92/38/993449238.db2.gz PXABLLWFGHZUAK-FTYDKLPRSA-N 2 2 220.360 2.167 20 0 BEADLP CCOc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382407078 993459175 /nfs/dbraw/zinc/45/91/75/993459175.db2.gz BMPUBWOEWXPDLJ-MNOVXSKESA-N 2 2 235.331 2.162 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000382515069 993461502 /nfs/dbraw/zinc/46/15/02/993461502.db2.gz QXMBPOZZEQSBQZ-RYUDHWBXSA-N 2 2 248.374 2.012 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000383246900 993485097 /nfs/dbraw/zinc/48/50/97/993485097.db2.gz DMNPAYITDASSSS-GFCCVEGCSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC000383246900 993485103 /nfs/dbraw/zinc/48/51/03/993485103.db2.gz DMNPAYITDASSSS-GFCCVEGCSA-N 2 2 240.297 2.278 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1ccoc1C ZINC001577109557 993506534 /nfs/dbraw/zinc/50/65/34/993506534.db2.gz HCUVIFINOZPWMZ-UHFFFAOYSA-N 2 2 210.321 2.195 20 0 BEADLP Cc1ccnc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000385618200 993664083 /nfs/dbraw/zinc/66/40/83/993664083.db2.gz PLZGOOPSWAVHDJ-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP CC[N@H+](C[C@H](CC(C)C)OC)[C@H]1CCC[NH2+]C1 ZINC001577671569 993721992 /nfs/dbraw/zinc/72/19/92/993721992.db2.gz LKHCVFRONUBTBA-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C[C@H](CC(C)C)OC)[C@H]1CCC[NH2+]C1 ZINC001577671569 993722004 /nfs/dbraw/zinc/72/20/04/993722004.db2.gz LKHCVFRONUBTBA-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COC1CCC([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000389255294 993741561 /nfs/dbraw/zinc/74/15/61/993741561.db2.gz CCFVDCKWEOCDRW-MOKVOYLWSA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+][C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000389255294 993741570 /nfs/dbraw/zinc/74/15/70/993741570.db2.gz CCFVDCKWEOCDRW-MOKVOYLWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)C1 ZINC000389474941 993747917 /nfs/dbraw/zinc/74/79/17/993747917.db2.gz VWJZNAXREOIMIY-UPJWGTAASA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)C1 ZINC000389474941 993747907 /nfs/dbraw/zinc/74/79/07/993747907.db2.gz VWJZNAXREOIMIY-UPJWGTAASA-N 2 2 240.391 2.015 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000389487699 993750612 /nfs/dbraw/zinc/75/06/12/993750612.db2.gz YYHCJJAIWZSMQF-MGPQQGTHSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000389487699 993750617 /nfs/dbraw/zinc/75/06/17/993750617.db2.gz YYHCJJAIWZSMQF-MGPQQGTHSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)CC1([NH2+]CCCC(F)(F)F)CCC1 ZINC000393562763 993966354 /nfs/dbraw/zinc/96/63/54/993966354.db2.gz ICGRIIKSQILYID-UHFFFAOYSA-N 2 2 238.297 2.403 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC3CCC2CC3)c[nH+]1 ZINC000724780991 994075830 /nfs/dbraw/zinc/07/58/30/994075830.db2.gz YOADNYAQPMBNLZ-UHFFFAOYSA-N 2 2 205.305 2.093 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC3CCC2CC3)c[nH+]1 ZINC000724780991 994075816 /nfs/dbraw/zinc/07/58/16/994075816.db2.gz YOADNYAQPMBNLZ-UHFFFAOYSA-N 2 2 205.305 2.093 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1Cc2ccccc2C1 ZINC000035657905 1170192300 /nfs/dbraw/zinc/19/23/00/1170192300.db2.gz DZMOEACMFXFJEY-UHFFFAOYSA-N 2 2 232.371 2.085 20 0 BEADLP Clc1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043324543 1171281290 /nfs/dbraw/zinc/28/12/90/1171281290.db2.gz SYASIPZDAPAGCT-CYBMUJFWSA-N 2 2 238.762 2.224 20 0 BEADLP Clc1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043324545 1171281876 /nfs/dbraw/zinc/28/18/76/1171281876.db2.gz SYASIPZDAPAGCT-ZDUSSCGKSA-N 2 2 238.762 2.224 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C ZINC000161985349 538920315 /nfs/dbraw/zinc/92/03/15/538920315.db2.gz IHPIREZYIODRBR-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000161985349 538920317 /nfs/dbraw/zinc/92/03/17/538920317.db2.gz IHPIREZYIODRBR-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)s1 ZINC000235685157 178007348 /nfs/dbraw/zinc/00/73/48/178007348.db2.gz PGZVZRPTVRWWEC-UFBFGSQYSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(C)s1 ZINC000235685157 178007350 /nfs/dbraw/zinc/00/73/50/178007350.db2.gz PGZVZRPTVRWWEC-UFBFGSQYSA-N 2 2 224.373 2.144 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422907590 398157354 /nfs/dbraw/zinc/15/73/54/398157354.db2.gz XDOMMVWIHOKXDE-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP FC1(F)CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000390079165 398157911 /nfs/dbraw/zinc/15/79/11/398157911.db2.gz YFOMNEGYASKUQD-UHFFFAOYSA-N 2 2 232.318 2.250 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cs1 ZINC000296485983 178029178 /nfs/dbraw/zinc/02/91/78/178029178.db2.gz QHZHRZWFTQIOBT-JTQLQIEISA-N 2 2 235.356 2.431 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000309316225 178040182 /nfs/dbraw/zinc/04/01/82/178040182.db2.gz PFZOFHCPVAGHLM-LBPRGKRZSA-N 2 2 236.384 2.383 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000309316225 178040184 /nfs/dbraw/zinc/04/01/84/178040184.db2.gz PFZOFHCPVAGHLM-LBPRGKRZSA-N 2 2 236.384 2.383 20 0 BEADLP COc1ccc(NC2CCC(C[NH3+])CC2)[nH+]c1 ZINC000379938783 398177788 /nfs/dbraw/zinc/17/77/88/398177788.db2.gz WUMBIEGKAJADOQ-UHFFFAOYSA-N 2 2 235.331 2.020 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCCc2sccc2C1 ZINC000390140652 398161761 /nfs/dbraw/zinc/16/17/61/398161761.db2.gz ONFLTVXZYMVZHU-UHFFFAOYSA-N 2 2 224.373 2.234 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCCc2sccc2C1 ZINC000390140652 398161762 /nfs/dbraw/zinc/16/17/62/398161762.db2.gz ONFLTVXZYMVZHU-UHFFFAOYSA-N 2 2 224.373 2.234 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336745911 398187476 /nfs/dbraw/zinc/18/74/76/398187476.db2.gz AQCTWOKZSADUOA-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336745911 398187477 /nfs/dbraw/zinc/18/74/77/398187477.db2.gz AQCTWOKZSADUOA-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(N2CCC[N@H+](C)CC2)nc(C(C)C)[nH+]1 ZINC000301055572 178114924 /nfs/dbraw/zinc/11/49/24/178114924.db2.gz BWZTXYRQKGXZSP-UHFFFAOYSA-N 2 2 248.374 2.050 20 0 BEADLP Cc1cc(N2CCC[N@@H+](C)CC2)nc(C(C)C)[nH+]1 ZINC000301055572 178114926 /nfs/dbraw/zinc/11/49/26/178114926.db2.gz BWZTXYRQKGXZSP-UHFFFAOYSA-N 2 2 248.374 2.050 20 0 BEADLP Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc[nH+]1 ZINC000301459744 178099200 /nfs/dbraw/zinc/09/92/00/178099200.db2.gz NRUBILNMWYRDGV-CYBMUJFWSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc[nH+]1 ZINC000301459744 178099201 /nfs/dbraw/zinc/09/92/01/178099201.db2.gz NRUBILNMWYRDGV-CYBMUJFWSA-N 2 2 248.374 2.096 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000386093871 398197616 /nfs/dbraw/zinc/19/76/16/398197616.db2.gz PUWPBSQETYSXAW-CABCVRRESA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000386093871 398197618 /nfs/dbraw/zinc/19/76/18/398197618.db2.gz PUWPBSQETYSXAW-CABCVRRESA-N 2 2 248.370 2.058 20 0 BEADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000069720608 398213678 /nfs/dbraw/zinc/21/36/78/398213678.db2.gz IGZWVBVUEPJMAN-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1nc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cs1 ZINC000069720608 398213681 /nfs/dbraw/zinc/21/36/81/398213681.db2.gz IGZWVBVUEPJMAN-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000576338128 365569001 /nfs/dbraw/zinc/56/90/01/365569001.db2.gz PZHKXCQYFXWQBT-CHWSQXEVSA-N 2 2 230.311 2.402 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC(C)(C)C[NH3+])c[nH+]1 ZINC000339405899 187330165 /nfs/dbraw/zinc/33/01/65/187330165.db2.gz DCPVPSBZSHADSH-UHFFFAOYSA-N 3 2 249.402 2.239 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC(C)(C)C[NH3+])c[nH+]1 ZINC000339405899 187330166 /nfs/dbraw/zinc/33/01/66/187330166.db2.gz DCPVPSBZSHADSH-UHFFFAOYSA-N 3 2 249.402 2.239 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccncc1 ZINC000649420211 398219430 /nfs/dbraw/zinc/21/94/30/398219430.db2.gz NGYPGSLIILKQHE-OWTLIXCDSA-N 2 2 233.359 2.119 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000163636106 538929584 /nfs/dbraw/zinc/92/95/84/538929584.db2.gz SNOXOFYKAKUUBG-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000265340301 178170553 /nfs/dbraw/zinc/17/05/53/178170553.db2.gz IGXCVYWISMRPKO-LLVKDONJSA-N 2 2 246.358 2.026 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000265340301 178170555 /nfs/dbraw/zinc/17/05/55/178170555.db2.gz IGXCVYWISMRPKO-LLVKDONJSA-N 2 2 246.358 2.026 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000576436534 365595727 /nfs/dbraw/zinc/59/57/27/365595727.db2.gz SQWYABUQIBUGEW-IUODEOHRSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000576436534 365595731 /nfs/dbraw/zinc/59/57/31/365595731.db2.gz SQWYABUQIBUGEW-IUODEOHRSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000421391132 192328562 /nfs/dbraw/zinc/32/85/62/192328562.db2.gz WDWZFDPMPHCGBS-ABAIWWIYSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000421391132 192328564 /nfs/dbraw/zinc/32/85/64/192328564.db2.gz WDWZFDPMPHCGBS-ABAIWWIYSA-N 2 2 247.386 2.128 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000191895104 361776268 /nfs/dbraw/zinc/77/62/68/361776268.db2.gz VITJVIBYVXSSSW-AWEZNQCLSA-N 2 2 242.407 2.219 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCO[C@@](C)(CC)C1 ZINC000191895104 361776274 /nfs/dbraw/zinc/77/62/74/361776274.db2.gz VITJVIBYVXSSSW-AWEZNQCLSA-N 2 2 242.407 2.219 20 0 BEADLP Cc1cccc(CCNc2cc(C)[nH+]c(C)n2)[nH+]1 ZINC000280556010 538937716 /nfs/dbraw/zinc/93/77/16/538937716.db2.gz UGXFXQOIURCRNY-UHFFFAOYSA-N 2 2 242.326 2.451 20 0 BEADLP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465540 136229085 /nfs/dbraw/zinc/22/90/85/136229085.db2.gz XTIDLHCHVYXWPZ-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP C[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000094522107 398245379 /nfs/dbraw/zinc/24/53/79/398245379.db2.gz GUUMYNYEMLQSIL-OAHLLOKOSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000094522107 398245382 /nfs/dbraw/zinc/24/53/82/398245382.db2.gz GUUMYNYEMLQSIL-OAHLLOKOSA-N 2 2 230.355 2.358 20 0 BEADLP c1c[nH+]c(N2CC[NH+](CC3=CCCCC3)CC2)[nH]1 ZINC000576527219 365619421 /nfs/dbraw/zinc/61/94/21/365619421.db2.gz SUNBLWGGGMSGFF-UHFFFAOYSA-N 2 2 246.358 2.032 20 0 BEADLP COCCc1cc[nH+]c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000287373117 538944346 /nfs/dbraw/zinc/94/43/46/538944346.db2.gz HVVNZEVWABSCSM-SNVBAGLBSA-N 2 2 246.314 2.167 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)[C@H]1C ZINC000381227307 398253089 /nfs/dbraw/zinc/25/30/89/398253089.db2.gz KDERKWIDSKNLRA-WVWOOGAGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)[C@H]1C ZINC000381227307 398253092 /nfs/dbraw/zinc/25/30/92/398253092.db2.gz KDERKWIDSKNLRA-WVWOOGAGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000334559527 136231165 /nfs/dbraw/zinc/23/11/65/136231165.db2.gz HTYGYZYYCILWLN-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000334559527 136231166 /nfs/dbraw/zinc/23/11/66/136231166.db2.gz HTYGYZYYCILWLN-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]Cc2c[nH+]cn2C)o1 ZINC000289873079 538945987 /nfs/dbraw/zinc/94/59/87/538945987.db2.gz RNVYYWAJBJQBDS-JTQLQIEISA-N 2 2 233.315 2.426 20 0 BEADLP C[C@H]1CC[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000334559525 136231145 /nfs/dbraw/zinc/23/11/45/136231145.db2.gz HTYGYZYYCILWLN-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CC[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000334559525 136231146 /nfs/dbraw/zinc/23/11/46/136231146.db2.gz HTYGYZYYCILWLN-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000162032455 349553769 /nfs/dbraw/zinc/55/37/69/349553769.db2.gz HXBQSRJVVAFHKJ-OLZOCXBDSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000162032455 349553771 /nfs/dbraw/zinc/55/37/71/349553771.db2.gz HXBQSRJVVAFHKJ-OLZOCXBDSA-N 2 2 219.332 2.148 20 0 BEADLP CCC[C@H](C[NH2+]CCCCn1cc[nH+]c1)OC ZINC000386129418 398263626 /nfs/dbraw/zinc/26/36/26/398263626.db2.gz OIFMZQOZIDYBLZ-CYBMUJFWSA-N 2 2 239.363 2.068 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(C[C@H]3CCC[N@@H+]3C)c2C[C@H]1C ZINC000386808676 398266345 /nfs/dbraw/zinc/26/63/45/398266345.db2.gz DDDWXXUPXSWYMI-JHJVBQTASA-N 2 2 247.386 2.348 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(C[C@H]3CCC[N@H+]3C)c2C[C@H]1C ZINC000386808676 398266349 /nfs/dbraw/zinc/26/63/49/398266349.db2.gz DDDWXXUPXSWYMI-JHJVBQTASA-N 2 2 247.386 2.348 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]CC[NH+]1CCCC1 ZINC000035117184 538956046 /nfs/dbraw/zinc/95/60/46/538956046.db2.gz BGSRLTDQDOLIKP-CYBMUJFWSA-N 2 2 236.359 2.286 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040671881 538972074 /nfs/dbraw/zinc/97/20/74/538972074.db2.gz PHIOUENANNZHAT-STQMWFEESA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040671881 538972075 /nfs/dbraw/zinc/97/20/75/538972075.db2.gz PHIOUENANNZHAT-STQMWFEESA-N 2 2 248.370 2.440 20 0 BEADLP C[C@H]1Cc2ccc(-c3[nH+]ccn3C)cc2C[NH2+]1 ZINC000630051921 361915530 /nfs/dbraw/zinc/91/55/30/361915530.db2.gz FQGZJBQKMIZGBE-JTQLQIEISA-N 2 2 227.311 2.121 20 0 BEADLP C[C@@H]1Cc2ccc(-c3[nH+]ccn3C)cc2C[NH2+]1 ZINC000630051922 361916318 /nfs/dbraw/zinc/91/63/18/361916318.db2.gz FQGZJBQKMIZGBE-SNVBAGLBSA-N 2 2 227.311 2.121 20 0 BEADLP Cc1cc(-c2[nH+]ccn2C)cc(C)c1C[NH3+] ZINC000630053063 361922189 /nfs/dbraw/zinc/92/21/89/361922189.db2.gz PZLNMKXBJARNRU-UHFFFAOYSA-N 2 2 215.300 2.163 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C2=CC[NH2+]CC2)c1 ZINC000630053570 361923492 /nfs/dbraw/zinc/92/34/92/361923492.db2.gz WAKSVFGMPOVSQL-UHFFFAOYSA-N 2 2 239.322 2.464 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000336479251 342807540 /nfs/dbraw/zinc/80/75/40/342807540.db2.gz GWQZUGUPBZDGGJ-VXGBXAGGSA-N 2 2 233.359 2.366 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336479885 342807547 /nfs/dbraw/zinc/80/75/47/342807547.db2.gz UAXSQQANBZSOBY-MFKMUULPSA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336479885 342807549 /nfs/dbraw/zinc/80/75/49/342807549.db2.gz UAXSQQANBZSOBY-MFKMUULPSA-N 2 2 233.359 2.435 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000393919071 344004293 /nfs/dbraw/zinc/00/42/93/344004293.db2.gz OZGWJRPYFZDREB-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)C1 ZINC000393919071 344004297 /nfs/dbraw/zinc/00/42/97/344004297.db2.gz OZGWJRPYFZDREB-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC1CC1 ZINC000381472256 539001873 /nfs/dbraw/zinc/00/18/73/539001873.db2.gz NDEBTCLTUNYTES-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC1CC1 ZINC000381472256 539001875 /nfs/dbraw/zinc/00/18/75/539001875.db2.gz NDEBTCLTUNYTES-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000335644856 136243277 /nfs/dbraw/zinc/24/32/77/136243277.db2.gz VTBZCXKWNJQQDW-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000335645671 136243379 /nfs/dbraw/zinc/24/33/79/136243379.db2.gz HFKICBJTQNCTMF-ZDUSSCGKSA-N 2 2 236.334 2.364 20 0 BEADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000236185537 398309939 /nfs/dbraw/zinc/30/99/39/398309939.db2.gz IDJZMBPPSGFJMP-JTQLQIEISA-N 2 2 242.725 2.321 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000133146356 398310755 /nfs/dbraw/zinc/31/07/55/398310755.db2.gz XUWFBJPFQFZKTA-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000133146356 398310757 /nfs/dbraw/zinc/31/07/57/398310757.db2.gz XUWFBJPFQFZKTA-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037320255 342926818 /nfs/dbraw/zinc/92/68/18/342926818.db2.gz JYXIWNXSCDVXHB-NWDGAFQWSA-N 2 2 209.337 2.440 20 0 BEADLP CCSCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000308733717 346907434 /nfs/dbraw/zinc/90/74/34/346907434.db2.gz CEVJNGCDPZGJLS-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000308733717 346907436 /nfs/dbraw/zinc/90/74/36/346907436.db2.gz CEVJNGCDPZGJLS-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000353523975 187209203 /nfs/dbraw/zinc/20/92/03/187209203.db2.gz VFZYTAPMCDJNOV-QWHCGFSZSA-N 2 2 235.375 2.381 20 0 BEADLP CC(C)[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000019956973 342964263 /nfs/dbraw/zinc/96/42/63/342964263.db2.gz YGEGJLGXEQFFGX-UHFFFAOYSA-N 2 2 233.359 2.044 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000308786237 346911760 /nfs/dbraw/zinc/91/17/60/346911760.db2.gz FQCPJTFBUYOTGD-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000308786237 346911763 /nfs/dbraw/zinc/91/17/63/346911763.db2.gz FQCPJTFBUYOTGD-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CS[C@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000162583218 349757360 /nfs/dbraw/zinc/75/73/60/349757360.db2.gz AYBTZKDNSLDKSF-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP CS[C@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162583218 349757364 /nfs/dbraw/zinc/75/73/64/349757364.db2.gz AYBTZKDNSLDKSF-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP Cn1c[nH+]cc1C[NH+]1CCC2(CCC2)CC1 ZINC000367539056 187221188 /nfs/dbraw/zinc/22/11/88/187221188.db2.gz VYXOUFBDVPRTIH-UHFFFAOYSA-N 2 2 219.332 2.186 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccncc1Cl ZINC000133596413 343190960 /nfs/dbraw/zinc/19/09/60/343190960.db2.gz HHMDIXKSSATFGN-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccncc1Cl ZINC000133596413 343190963 /nfs/dbraw/zinc/19/09/63/343190963.db2.gz HHMDIXKSSATFGN-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3ncccc23)C[C@H]1[NH3+] ZINC000634688327 343246988 /nfs/dbraw/zinc/24/69/88/343246988.db2.gz PIWMOJCEYHBWBQ-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3ncccc23)C[C@H]1[NH3+] ZINC000634688327 343246990 /nfs/dbraw/zinc/24/69/90/343246990.db2.gz PIWMOJCEYHBWBQ-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069663057 343288248 /nfs/dbraw/zinc/28/82/48/343288248.db2.gz MRTZJDFIQMLHTC-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000069663057 343288250 /nfs/dbraw/zinc/28/82/50/343288250.db2.gz MRTZJDFIQMLHTC-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794291 343291528 /nfs/dbraw/zinc/29/15/28/343291528.db2.gz NRPAODGYQFHHGA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794291 343291531 /nfs/dbraw/zinc/29/15/31/343291531.db2.gz NRPAODGYQFHHGA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCc2ccco2)n1C ZINC000584064922 343312447 /nfs/dbraw/zinc/31/24/47/343312447.db2.gz QYEQQMCRKRRZQL-NSHDSACASA-N 2 2 247.342 2.432 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCc2ccco2)n1C ZINC000584064921 343312555 /nfs/dbraw/zinc/31/25/55/343312555.db2.gz QYEQQMCRKRRZQL-LLVKDONJSA-N 2 2 247.342 2.432 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088011 343369949 /nfs/dbraw/zinc/36/99/49/343369949.db2.gz BPOIYWUFGQYLHC-RYUDHWBXSA-N 2 2 224.348 2.140 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088010 343370015 /nfs/dbraw/zinc/37/00/15/343370015.db2.gz BPOIYWUFGQYLHC-VXGBXAGGSA-N 2 2 224.348 2.140 20 0 BEADLP CC[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000038098329 343370973 /nfs/dbraw/zinc/37/09/73/343370973.db2.gz JLAJRJFLNQSPNS-UHFFFAOYSA-N 2 2 244.342 2.459 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000070558482 343334575 /nfs/dbraw/zinc/33/45/75/343334575.db2.gz VXTQNLGSRSFKRJ-JHJVBQTASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)CC)C1 ZINC000070562936 343334988 /nfs/dbraw/zinc/33/49/88/343334988.db2.gz YARXGHGLDRQXHR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)CC)C1 ZINC000070562936 343334990 /nfs/dbraw/zinc/33/49/90/343334990.db2.gz YARXGHGLDRQXHR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037158084 343337368 /nfs/dbraw/zinc/33/73/68/343337368.db2.gz YGWUPYQEJLXSMW-NEPJUHHUSA-N 2 2 245.326 2.328 20 0 BEADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335643206 136303470 /nfs/dbraw/zinc/30/34/70/136303470.db2.gz LZDHFNHIUCFSBC-LLVKDONJSA-N 2 2 230.311 2.193 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335644336 136304113 /nfs/dbraw/zinc/30/41/13/136304113.db2.gz TXGVUIRMRIRPPJ-LLVKDONJSA-N 2 2 224.373 2.288 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000037494186 343347408 /nfs/dbraw/zinc/34/74/08/343347408.db2.gz RUPSEPSXBBQDRX-LLVKDONJSA-N 2 2 244.342 2.459 20 0 BEADLP CC[N@H+]1CCC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000037494186 343347409 /nfs/dbraw/zinc/34/74/09/343347409.db2.gz RUPSEPSXBBQDRX-LLVKDONJSA-N 2 2 244.342 2.459 20 0 BEADLP CC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000037670596 343350940 /nfs/dbraw/zinc/35/09/40/343350940.db2.gz FTUMBYXTTHEWHD-LBPRGKRZSA-N 2 2 219.332 2.286 20 0 BEADLP CC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000037670596 343350943 /nfs/dbraw/zinc/35/09/43/343350943.db2.gz FTUMBYXTTHEWHD-LBPRGKRZSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335640864 136308741 /nfs/dbraw/zinc/30/87/41/136308741.db2.gz BRGWCHZRMYMULT-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335642370 136308992 /nfs/dbraw/zinc/30/89/92/136308992.db2.gz JCFSQNXBTIVXQF-LBPRGKRZSA-N 2 2 224.735 2.100 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335642387 136309154 /nfs/dbraw/zinc/30/91/54/136309154.db2.gz JJRZZNUOGGVHFG-CYBMUJFWSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)n1C ZINC000668178334 488215167 /nfs/dbraw/zinc/21/51/67/488215167.db2.gz TYDRJBALIZAGPC-VIFPVBQESA-N 2 2 243.301 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)n1C ZINC000668178334 488215169 /nfs/dbraw/zinc/21/51/69/488215169.db2.gz TYDRJBALIZAGPC-VIFPVBQESA-N 2 2 243.301 2.206 20 0 BEADLP CC(C)[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000041011554 343412696 /nfs/dbraw/zinc/41/26/96/343412696.db2.gz QFYIOPNFPBCPIQ-UHFFFAOYSA-N 2 2 239.388 2.106 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000082594770 343450798 /nfs/dbraw/zinc/45/07/98/343450798.db2.gz MLDRADHKZFNQMA-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000082594770 343450800 /nfs/dbraw/zinc/45/08/00/343450800.db2.gz MLDRADHKZFNQMA-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511968 343476125 /nfs/dbraw/zinc/47/61/25/343476125.db2.gz RRLVJXLEBXYVGV-UHFFFAOYSA-N 2 2 246.276 2.486 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511968 343476128 /nfs/dbraw/zinc/47/61/28/343476128.db2.gz RRLVJXLEBXYVGV-UHFFFAOYSA-N 2 2 246.276 2.486 20 0 BEADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000308950180 346943214 /nfs/dbraw/zinc/94/32/14/346943214.db2.gz OVCVELWMLOOHPR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000083985652 343513383 /nfs/dbraw/zinc/51/33/83/343513383.db2.gz HBSKBBXEUGZSRY-ZDUSSCGKSA-N 2 2 204.317 2.091 20 0 BEADLP Cc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000083985652 343513384 /nfs/dbraw/zinc/51/33/84/343513384.db2.gz HBSKBBXEUGZSRY-ZDUSSCGKSA-N 2 2 204.317 2.091 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)C(C)C)[C@@H](C)C1 ZINC000379948010 365760044 /nfs/dbraw/zinc/76/00/44/365760044.db2.gz RRSAXNBVTYVVSY-AVGNSLFASA-N 2 2 212.381 2.208 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)C(C)C)[C@@H](C)C1 ZINC000379948010 365760053 /nfs/dbraw/zinc/76/00/53/365760053.db2.gz RRSAXNBVTYVVSY-AVGNSLFASA-N 2 2 212.381 2.208 20 0 BEADLP Cc1csc(C[NH2+]CCC[NH+]2CCCC2)n1 ZINC000049332590 343596293 /nfs/dbraw/zinc/59/62/93/343596293.db2.gz KKNFSKLHBXNJIZ-UHFFFAOYSA-N 2 2 239.388 2.027 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC000049553431 343602506 /nfs/dbraw/zinc/60/25/06/343602506.db2.gz HAJWCDAEDCOOKQ-NSHDSACASA-N 2 2 224.323 2.256 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)nc1C ZINC000314326982 259367059 /nfs/dbraw/zinc/36/70/59/259367059.db2.gz SSHOPHDHVYPEBP-UKRRQHHQSA-N 2 2 247.386 2.319 20 0 BEADLP CC1(C)SC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282830764 187344064 /nfs/dbraw/zinc/34/40/64/187344064.db2.gz OAJIGTCRZBNQNU-NSHDSACASA-N 2 2 247.367 2.318 20 0 BEADLP CSC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000602923623 349819812 /nfs/dbraw/zinc/81/98/12/349819812.db2.gz SPZOHIKMHGVRIU-UHFFFAOYSA-N 2 2 239.388 2.019 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCOCC12CCCC2 ZINC000388678120 343650629 /nfs/dbraw/zinc/65/06/29/343650629.db2.gz ZMDJVAFFSKKSQM-ZDUSSCGKSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCOCC12CCCC2 ZINC000388678120 343650630 /nfs/dbraw/zinc/65/06/30/343650630.db2.gz ZMDJVAFFSKKSQM-ZDUSSCGKSA-N 2 2 240.391 2.005 20 0 BEADLP CC1(C)CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000087771301 343659957 /nfs/dbraw/zinc/65/99/57/343659957.db2.gz AGGLQVPTHVOHAT-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCC1CCCC1)C2 ZINC000625438262 343739959 /nfs/dbraw/zinc/73/99/59/343739959.db2.gz SNBVPFVFNLCHEF-UHFFFAOYSA-N 2 2 219.332 2.348 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CCC1CCCC1)C2 ZINC000625438262 343739960 /nfs/dbraw/zinc/73/99/60/343739960.db2.gz SNBVPFVFNLCHEF-UHFFFAOYSA-N 2 2 219.332 2.348 20 0 BEADLP C/C=C/C[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000289779757 187347184 /nfs/dbraw/zinc/34/71/84/187347184.db2.gz RHEBJUOZZCJASU-NHZBNJEXSA-N 2 2 248.370 2.239 20 0 BEADLP CCc1cnc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000576403716 343748908 /nfs/dbraw/zinc/74/89/08/343748908.db2.gz XHRUGFQYSJUNBK-GFCCVEGCSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1cnc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000576403716 343748911 /nfs/dbraw/zinc/74/89/11/343748911.db2.gz XHRUGFQYSJUNBK-GFCCVEGCSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1cnc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000576403718 343748933 /nfs/dbraw/zinc/74/89/33/343748933.db2.gz XHRUGFQYSJUNBK-LBPRGKRZSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1cnc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000576403718 343748935 /nfs/dbraw/zinc/74/89/35/343748935.db2.gz XHRUGFQYSJUNBK-LBPRGKRZSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027554 343784023 /nfs/dbraw/zinc/78/40/23/343784023.db2.gz RXQFPWJAHTYHBZ-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027554 343784024 /nfs/dbraw/zinc/78/40/24/343784024.db2.gz RXQFPWJAHTYHBZ-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC[N@H+](C)CCOC ZINC000651695221 537821524 /nfs/dbraw/zinc/82/15/24/537821524.db2.gz BIGKGLUEMXURLB-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000651695221 537821531 /nfs/dbraw/zinc/82/15/31/537821531.db2.gz BIGKGLUEMXURLB-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336699673 537826656 /nfs/dbraw/zinc/82/66/56/537826656.db2.gz ZVWVJTZOYXHJIK-XBFCOCLRSA-N 2 2 220.360 2.001 20 0 BEADLP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336699673 537826663 /nfs/dbraw/zinc/82/66/63/537826663.db2.gz ZVWVJTZOYXHJIK-XBFCOCLRSA-N 2 2 220.360 2.001 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784541 343907699 /nfs/dbraw/zinc/90/76/99/343907699.db2.gz QLJQPEIFCDXBNM-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784541 343907701 /nfs/dbraw/zinc/90/77/01/343907701.db2.gz QLJQPEIFCDXBNM-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000126789515 344103437 /nfs/dbraw/zinc/10/34/37/344103437.db2.gz ADQPUZYJJUHMPD-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000126789515 344103438 /nfs/dbraw/zinc/10/34/38/344103438.db2.gz ADQPUZYJJUHMPD-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733840 344114616 /nfs/dbraw/zinc/11/46/16/344114616.db2.gz PLBQXKPSUSPTCN-RTWZZBQXSA-N 2 2 242.366 2.432 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000299922364 344149053 /nfs/dbraw/zinc/14/90/53/344149053.db2.gz SNJKTDUNTFCTFU-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000299922364 344149056 /nfs/dbraw/zinc/14/90/56/344149056.db2.gz SNJKTDUNTFCTFU-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348111091 537840781 /nfs/dbraw/zinc/84/07/81/537840781.db2.gz VIMHDAXPIYHQMK-YUELXQCFSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348111091 537840791 /nfs/dbraw/zinc/84/07/91/537840791.db2.gz VIMHDAXPIYHQMK-YUELXQCFSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336748711 537840798 /nfs/dbraw/zinc/84/07/98/537840798.db2.gz DOJZZCHRIYYPAE-OLZOCXBDSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336748711 537840808 /nfs/dbraw/zinc/84/08/08/537840808.db2.gz DOJZZCHRIYYPAE-OLZOCXBDSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130096810 344218494 /nfs/dbraw/zinc/21/84/94/344218494.db2.gz MRKIGKFAPOWUDZ-RYUDHWBXSA-N 2 2 200.370 2.351 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348300212 537843437 /nfs/dbraw/zinc/84/34/37/537843437.db2.gz GDMWKVQYYCKOHW-CABCVRRESA-N 2 2 234.387 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348300212 537843438 /nfs/dbraw/zinc/84/34/38/537843438.db2.gz GDMWKVQYYCKOHW-CABCVRRESA-N 2 2 234.387 2.417 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336763877 537845118 /nfs/dbraw/zinc/84/51/18/537845118.db2.gz MOQAESYUASAZER-MGPQQGTHSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336763877 537845124 /nfs/dbraw/zinc/84/51/24/537845124.db2.gz MOQAESYUASAZER-MGPQQGTHSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1nc(N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc[nH+]1 ZINC000634812637 344396930 /nfs/dbraw/zinc/39/69/30/344396930.db2.gz NIDCUVCRABOUDD-DGCLKSJQSA-N 2 2 248.374 2.129 20 0 BEADLP Clc1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000041042084 344414328 /nfs/dbraw/zinc/41/43/28/344414328.db2.gz YKNNQYXZFKVSNM-UHFFFAOYSA-N 2 2 241.747 2.388 20 0 BEADLP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044721359 344544955 /nfs/dbraw/zinc/54/49/55/344544955.db2.gz KWIPZVMVMUPDJI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044721359 344544958 /nfs/dbraw/zinc/54/49/58/344544958.db2.gz KWIPZVMVMUPDJI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641536538 362486765 /nfs/dbraw/zinc/48/67/65/362486765.db2.gz ODNXUBWXFFRXCX-LLVKDONJSA-N 2 2 237.322 2.141 20 0 BEADLP CC1=CC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000570940196 323075802 /nfs/dbraw/zinc/07/58/02/323075802.db2.gz QSVQQJRZSKSUTM-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP C[C@H](c1cccs1)[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000227649130 344714125 /nfs/dbraw/zinc/71/41/25/344714125.db2.gz OCDCTKMOISDFDX-GHMZBOCLSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@H](c1cccs1)[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000227649130 344714126 /nfs/dbraw/zinc/71/41/26/344714126.db2.gz OCDCTKMOISDFDX-GHMZBOCLSA-N 2 2 224.373 2.493 20 0 BEADLP CC[NH+]1CCC(CCNc2cc[nH+]c(C)n2)CC1 ZINC000078401613 344859533 /nfs/dbraw/zinc/85/95/33/344859533.db2.gz DXOAGLOMMYOTRS-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP c1csc(C[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000082394017 344902993 /nfs/dbraw/zinc/90/29/93/344902993.db2.gz BXPLFGPTTFKTOK-UHFFFAOYSA-N 2 2 239.388 2.109 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000385605734 345004434 /nfs/dbraw/zinc/00/44/34/345004434.db2.gz MNIUDVPXAMYCLD-QWHCGFSZSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000385605734 345004436 /nfs/dbraw/zinc/00/44/36/345004436.db2.gz MNIUDVPXAMYCLD-QWHCGFSZSA-N 2 2 249.358 2.008 20 0 BEADLP CCC[N@H+](CC)C[C@H](C)Nc1cc[nH+]cc1F ZINC000641621803 362552971 /nfs/dbraw/zinc/55/29/71/362552971.db2.gz HPKPSAPSMNOADR-NSHDSACASA-N 2 2 239.338 2.175 20 0 BEADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]cc1F ZINC000641621803 362552974 /nfs/dbraw/zinc/55/29/74/362552974.db2.gz HPKPSAPSMNOADR-NSHDSACASA-N 2 2 239.338 2.175 20 0 BEADLP CN(CC[NH+]1CCCCC1)c1cc[nH+]cc1F ZINC000641651898 362579033 /nfs/dbraw/zinc/57/90/33/362579033.db2.gz GDFVDYSJJBWMKI-UHFFFAOYSA-N 2 2 237.322 2.143 20 0 BEADLP Fc1c[nH+]ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000641657103 362581543 /nfs/dbraw/zinc/58/15/43/362581543.db2.gz MLMMBTGCUYZTOH-ZIAGYGMSSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000641657103 362581544 /nfs/dbraw/zinc/58/15/44/362581544.db2.gz MLMMBTGCUYZTOH-ZIAGYGMSSA-N 2 2 249.333 2.071 20 0 BEADLP C[C@H]1CCC[C@@H]([N@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991398 345177022 /nfs/dbraw/zinc/17/70/22/345177022.db2.gz CEISFOVFJKZGMU-RJZJGCCBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[C@@H]([N@@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991398 345177024 /nfs/dbraw/zinc/17/70/24/345177024.db2.gz CEISFOVFJKZGMU-RJZJGCCBSA-N 2 2 222.376 2.249 20 0 BEADLP CCC(CC)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634991556 345177555 /nfs/dbraw/zinc/17/75/55/345177555.db2.gz IRRFNGDZQOBGDS-UHFFFAOYSA-N 2 2 222.376 2.391 20 0 BEADLP CCC(CC)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634991556 345177557 /nfs/dbraw/zinc/17/75/57/345177557.db2.gz IRRFNGDZQOBGDS-UHFFFAOYSA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634991566 345177622 /nfs/dbraw/zinc/17/76/22/345177622.db2.gz JDRMVENLIPNVIJ-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634991566 345177624 /nfs/dbraw/zinc/17/76/24/345177624.db2.gz JDRMVENLIPNVIJ-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1ccccc1C[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991889 345179182 /nfs/dbraw/zinc/17/91/82/345179182.db2.gz VPBNTOQKZBQENJ-UHFFFAOYSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991889 345179184 /nfs/dbraw/zinc/17/91/84/345179184.db2.gz VPBNTOQKZBQENJ-UHFFFAOYSA-N 2 2 230.355 2.179 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992018 345179201 /nfs/dbraw/zinc/17/92/01/345179201.db2.gz ZUUWKPUAUNTKGN-CPCZMJQVSA-N 2 2 208.349 2.003 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992018 345179203 /nfs/dbraw/zinc/17/92/03/345179203.db2.gz ZUUWKPUAUNTKGN-CPCZMJQVSA-N 2 2 208.349 2.003 20 0 BEADLP C([N@@H+]1CCC[C@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634992078 345179932 /nfs/dbraw/zinc/17/99/32/345179932.db2.gz CGPNHMLCRBQMJF-QRMWWUJWSA-N 2 2 220.360 2.003 20 0 BEADLP C([N@H+]1CCC[C@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634992078 345179933 /nfs/dbraw/zinc/17/99/33/345179933.db2.gz CGPNHMLCRBQMJF-QRMWWUJWSA-N 2 2 220.360 2.003 20 0 BEADLP CC(C)(C)[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995258 345184180 /nfs/dbraw/zinc/18/41/80/345184180.db2.gz ZFUDKUCMOBJHKV-OWYJLGKBSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)(C)[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995258 345184183 /nfs/dbraw/zinc/18/41/83/345184183.db2.gz ZFUDKUCMOBJHKV-OWYJLGKBSA-N 2 2 236.403 2.497 20 0 BEADLP C([N@@H+]1CCC[C@@H](C2CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996142 345186955 /nfs/dbraw/zinc/18/69/55/345186955.db2.gz APBMHWALUNYTLA-HNFVBEJKSA-N 2 2 234.387 2.251 20 0 BEADLP C([N@H+]1CCC[C@@H](C2CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996142 345186957 /nfs/dbraw/zinc/18/69/57/345186957.db2.gz APBMHWALUNYTLA-HNFVBEJKSA-N 2 2 234.387 2.251 20 0 BEADLP C[C@H]1CCCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992796 345187798 /nfs/dbraw/zinc/18/77/98/345187798.db2.gz BBTUCOGPHCDICB-HIFPTAJRSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H]1CCCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992796 345187800 /nfs/dbraw/zinc/18/78/00/345187800.db2.gz BBTUCOGPHCDICB-HIFPTAJRSA-N 2 2 208.349 2.003 20 0 BEADLP C(C1CC1)[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000156298070 345145076 /nfs/dbraw/zinc/14/50/76/345145076.db2.gz MPMBXQOMFYFRSI-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CC1)[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000156298070 345145077 /nfs/dbraw/zinc/14/50/77/345145077.db2.gz MPMBXQOMFYFRSI-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP CC(C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156336245 345150000 /nfs/dbraw/zinc/15/00/00/345150000.db2.gz BBDJRFKDOFNACB-CYBMUJFWSA-N 2 2 220.316 2.191 20 0 BEADLP CC(C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156336245 345150003 /nfs/dbraw/zinc/15/00/03/345150003.db2.gz BBDJRFKDOFNACB-CYBMUJFWSA-N 2 2 220.316 2.191 20 0 BEADLP C[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC(C)(C)C1 ZINC000634993814 345192030 /nfs/dbraw/zinc/19/20/30/345192030.db2.gz HGDKLISMDVJPHK-LKSINWNRSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC(C)(C)C1 ZINC000634993814 345192031 /nfs/dbraw/zinc/19/20/31/345192031.db2.gz HGDKLISMDVJPHK-LKSINWNRSA-N 2 2 222.376 2.106 20 0 BEADLP C/C=C\C[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997043 345194034 /nfs/dbraw/zinc/19/40/34/345194034.db2.gz BOHQHWUXFLHQOD-DQUHXPLVSA-N 2 2 234.387 2.417 20 0 BEADLP C/C=C\C[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997043 345194037 /nfs/dbraw/zinc/19/40/37/345194037.db2.gz BOHQHWUXFLHQOD-DQUHXPLVSA-N 2 2 234.387 2.417 20 0 BEADLP C([N@@H+]1CCCC2(CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634997096 345194206 /nfs/dbraw/zinc/19/42/06/345194206.db2.gz CTPJLIGOVMBNKO-UHFFFAOYSA-N 2 2 220.360 2.005 20 0 BEADLP C([N@H+]1CCCC2(CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634997096 345194209 /nfs/dbraw/zinc/19/42/09/345194209.db2.gz CTPJLIGOVMBNKO-UHFFFAOYSA-N 2 2 220.360 2.005 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccsc2)C1 ZINC000634997750 345196091 /nfs/dbraw/zinc/19/60/91/345196091.db2.gz RRSPFAPMEUEHBZ-GFCCVEGCSA-N 2 2 224.373 2.451 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccsc2)C1 ZINC000634997750 345196094 /nfs/dbraw/zinc/19/60/94/345196094.db2.gz RRSPFAPMEUEHBZ-GFCCVEGCSA-N 2 2 224.373 2.451 20 0 BEADLP C[C@@H](C[N@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000635004436 345207472 /nfs/dbraw/zinc/20/74/72/345207472.db2.gz OKYZEIKRZSWAOW-DCBWTQNWSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H](C[N@@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000635004436 345207476 /nfs/dbraw/zinc/20/74/76/345207476.db2.gz OKYZEIKRZSWAOW-DCBWTQNWSA-N 2 2 224.392 2.352 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635019587 345222679 /nfs/dbraw/zinc/22/26/79/345222679.db2.gz ISGNHRGCXCJCHB-CHWSQXEVSA-N 2 2 242.407 2.169 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449112573 201813135 /nfs/dbraw/zinc/81/31/35/201813135.db2.gz RTCHTVTUVFYLLM-LBPRGKRZSA-N 2 2 224.348 2.140 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449112573 201813137 /nfs/dbraw/zinc/81/31/37/201813137.db2.gz RTCHTVTUVFYLLM-LBPRGKRZSA-N 2 2 224.348 2.140 20 0 BEADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159251100 345419859 /nfs/dbraw/zinc/41/98/59/345419859.db2.gz RFMNJKHZLCRSRZ-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000159251100 345419862 /nfs/dbraw/zinc/41/98/62/345419862.db2.gz RFMNJKHZLCRSRZ-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000159316922 345423867 /nfs/dbraw/zinc/42/38/67/345423867.db2.gz PRDZRKJIZGRHLR-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]1 ZINC000080960295 345455638 /nfs/dbraw/zinc/45/56/38/345455638.db2.gz BKSCJEGRMJZMOG-ZDUSSCGKSA-N 2 2 242.326 2.184 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]1 ZINC000080960295 345455639 /nfs/dbraw/zinc/45/56/39/345455639.db2.gz BKSCJEGRMJZMOG-ZDUSSCGKSA-N 2 2 242.326 2.184 20 0 BEADLP C[N@H+](Cc1ccc(F)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000159662189 345455479 /nfs/dbraw/zinc/45/54/79/345455479.db2.gz RIGSOYCQLFLKSQ-CYBMUJFWSA-N 2 2 240.297 2.134 20 0 BEADLP C[N@@H+](Cc1ccc(F)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000159662189 345455481 /nfs/dbraw/zinc/45/54/81/345455481.db2.gz RIGSOYCQLFLKSQ-CYBMUJFWSA-N 2 2 240.297 2.134 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090048105 345563455 /nfs/dbraw/zinc/56/34/55/345563455.db2.gz QCWWHPIPHHMPFY-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1CCOCC1 ZINC000090846693 345576583 /nfs/dbraw/zinc/57/65/83/345576583.db2.gz LOVNXOIGOOJVJB-ZDUSSCGKSA-N 2 2 248.370 2.337 20 0 BEADLP c1c[nH+]c([C@H]2CCCN(c3cccc[nH+]3)C2)[nH]1 ZINC000091480004 345594324 /nfs/dbraw/zinc/59/43/24/345594324.db2.gz QPQBLEUOHBAJRQ-NSHDSACASA-N 2 2 228.299 2.189 20 0 BEADLP CC1CC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000163740955 345590615 /nfs/dbraw/zinc/59/06/15/345590615.db2.gz RAMVNOYLPZAAOS-ABIUDSBCSA-N 2 2 230.355 2.262 20 0 BEADLP Clc1ccccc1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000215905901 345742360 /nfs/dbraw/zinc/74/23/60/345742360.db2.gz HHSIGTPDFXVNCF-LBPRGKRZSA-N 2 2 238.762 2.224 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1F ZINC000226036511 345750861 /nfs/dbraw/zinc/75/08/61/345750861.db2.gz NLILXBKFJBZLAK-VHSXEESVSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@@H+]1C ZINC000628223413 345964242 /nfs/dbraw/zinc/96/42/42/345964242.db2.gz CYPPSQQJZIHXGW-ZYHUDNBSSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223413 345964243 /nfs/dbraw/zinc/96/42/43/345964243.db2.gz CYPPSQQJZIHXGW-ZYHUDNBSSA-N 2 2 249.358 2.124 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(O)c1 ZINC000147509527 346027033 /nfs/dbraw/zinc/02/70/33/346027033.db2.gz KHDKABKAFCKFOV-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(O)c1 ZINC000147509527 346027035 /nfs/dbraw/zinc/02/70/35/346027035.db2.gz KHDKABKAFCKFOV-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP Cc1ncccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151070475 537941503 /nfs/dbraw/zinc/94/15/03/537941503.db2.gz HAIOLGUUXSNHPD-FZMZJTMJSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ncccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000151070475 537941511 /nfs/dbraw/zinc/94/15/11/537941511.db2.gz HAIOLGUUXSNHPD-FZMZJTMJSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000019843377 179075016 /nfs/dbraw/zinc/07/50/16/179075016.db2.gz GYQDQXBGVJPFIW-CQSZACIVSA-N 2 2 218.344 2.308 20 0 BEADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000019843377 179075018 /nfs/dbraw/zinc/07/50/18/179075018.db2.gz GYQDQXBGVJPFIW-CQSZACIVSA-N 2 2 218.344 2.308 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1F ZINC000159676039 346427319 /nfs/dbraw/zinc/42/73/19/346427319.db2.gz HIPLUELNYXMBKG-CQSZACIVSA-N 2 2 236.334 2.303 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1F ZINC000159676039 346427323 /nfs/dbraw/zinc/42/73/23/346427323.db2.gz HIPLUELNYXMBKG-CQSZACIVSA-N 2 2 236.334 2.303 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000641797919 362738238 /nfs/dbraw/zinc/73/82/38/362738238.db2.gz AHEUHJOKWARYNQ-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CCC(F)(F)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000641797919 362738242 /nfs/dbraw/zinc/73/82/42/362738242.db2.gz AHEUHJOKWARYNQ-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000641797918 362737940 /nfs/dbraw/zinc/73/79/40/362737940.db2.gz AHEUHJOKWARYNQ-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP CCC(F)(F)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000641797918 362737944 /nfs/dbraw/zinc/73/79/44/362737944.db2.gz AHEUHJOKWARYNQ-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2nsc3ccccc32)CCC1 ZINC000641798167 362742965 /nfs/dbraw/zinc/74/29/65/362742965.db2.gz MAEXNIIBZOKZMR-UHFFFAOYSA-N 2 2 247.367 2.267 20 0 BEADLP CCC[N@H+](Cc1ccns1)C1CC[NH2+]CC1 ZINC000641799540 362748503 /nfs/dbraw/zinc/74/85/03/362748503.db2.gz WUSMYANOGZKBNH-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP CCC[N@@H+](Cc1ccns1)C1CC[NH2+]CC1 ZINC000641799540 362748509 /nfs/dbraw/zinc/74/85/09/362748509.db2.gz WUSMYANOGZKBNH-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040671710 179098076 /nfs/dbraw/zinc/09/80/76/179098076.db2.gz HGTWXQYAXMGMLJ-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000040671710 179098078 /nfs/dbraw/zinc/09/80/78/179098078.db2.gz HGTWXQYAXMGMLJ-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000040671711 179101229 /nfs/dbraw/zinc/10/12/29/179101229.db2.gz HGTWXQYAXMGMLJ-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000040671711 179101231 /nfs/dbraw/zinc/10/12/31/179101231.db2.gz HGTWXQYAXMGMLJ-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccnc1C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809492 362766504 /nfs/dbraw/zinc/76/65/04/362766504.db2.gz QQADHQOFYCWAET-XBFCOCLRSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccnc1C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809492 362766509 /nfs/dbraw/zinc/76/65/09/362766509.db2.gz QQADHQOFYCWAET-XBFCOCLRSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]CCC[C@@H]1CCO1 ZINC000623015212 346541140 /nfs/dbraw/zinc/54/11/40/346541140.db2.gz PBQIAIWYHQVQIC-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000199672371 346553096 /nfs/dbraw/zinc/55/30/96/346553096.db2.gz JGXAKFNWMNFXPZ-KGLIPLIRSA-N 2 2 218.344 2.307 20 0 BEADLP Cc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)[nH+]1 ZINC000286465896 179123889 /nfs/dbraw/zinc/12/38/89/179123889.db2.gz VKNZSUGWXCZLEC-KBPBESRZSA-N 2 2 245.370 2.453 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000390517858 259391619 /nfs/dbraw/zinc/39/16/19/259391619.db2.gz DRCSYLJLYHDPGE-NRUUGDAUSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000390517858 259391621 /nfs/dbraw/zinc/39/16/21/259391621.db2.gz DRCSYLJLYHDPGE-NRUUGDAUSA-N 2 2 222.307 2.308 20 0 BEADLP Cc1cccc(NCCCn2cc[nH+]c2)[nH+]1 ZINC000037670620 179144963 /nfs/dbraw/zinc/14/49/63/179144963.db2.gz QJXHBRAHXGGZCK-UHFFFAOYSA-N 2 2 216.288 2.089 20 0 BEADLP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)CC(C)(C)[NH3+] ZINC000641825535 362775085 /nfs/dbraw/zinc/77/50/85/362775085.db2.gz YTRLWHYUBRMEDZ-LBPRGKRZSA-N 2 2 240.391 2.147 20 0 BEADLP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)CC(C)(C)[NH3+] ZINC000641825535 362775090 /nfs/dbraw/zinc/77/50/90/362775090.db2.gz YTRLWHYUBRMEDZ-LBPRGKRZSA-N 2 2 240.391 2.147 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000622005849 370657017 /nfs/dbraw/zinc/65/70/17/370657017.db2.gz NWJAYPSAFXZAAV-JQWIXIFHSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000622005849 370657018 /nfs/dbraw/zinc/65/70/18/370657018.db2.gz NWJAYPSAFXZAAV-JQWIXIFHSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccsc1)C2 ZINC000622005672 370657368 /nfs/dbraw/zinc/65/73/68/370657368.db2.gz JKQTXZDTPHXOPA-NEPJUHHUSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000622005672 370657372 /nfs/dbraw/zinc/65/73/72/370657372.db2.gz JKQTXZDTPHXOPA-NEPJUHHUSA-N 2 2 222.357 2.061 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000387957610 347133738 /nfs/dbraw/zinc/13/37/38/347133738.db2.gz CSEPRLZVKCONEE-RNJOBUHISA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000387957610 347133740 /nfs/dbraw/zinc/13/37/40/347133740.db2.gz CSEPRLZVKCONEE-RNJOBUHISA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309692382 347134325 /nfs/dbraw/zinc/13/43/25/347134325.db2.gz JWLXFNSRPXZTLL-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309692382 347134331 /nfs/dbraw/zinc/13/43/31/347134331.db2.gz JWLXFNSRPXZTLL-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309951535 347203442 /nfs/dbraw/zinc/20/34/42/347203442.db2.gz GHYOZUFJFCTCBJ-IGQOVBAYSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309951535 347203444 /nfs/dbraw/zinc/20/34/44/347203444.db2.gz GHYOZUFJFCTCBJ-IGQOVBAYSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000390210519 347283094 /nfs/dbraw/zinc/28/30/94/347283094.db2.gz VAASVWKEKPBWRM-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000390210519 347283098 /nfs/dbraw/zinc/28/30/98/347283098.db2.gz VAASVWKEKPBWRM-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cccc2c1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000277406291 179216867 /nfs/dbraw/zinc/21/68/67/179216867.db2.gz ZTSBUTWGULPZOV-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1ccc(C[NH2+]CC[NH+]2CCCC2)s1 ZINC000020127029 347409055 /nfs/dbraw/zinc/40/90/55/347409055.db2.gz WWFBRHLZXPFWOK-UHFFFAOYSA-N 2 2 224.373 2.242 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006397 370658720 /nfs/dbraw/zinc/65/87/20/370658720.db2.gz ZNPJBWJHFFBWQX-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006397 370658715 /nfs/dbraw/zinc/65/87/15/370658715.db2.gz ZNPJBWJHFFBWQX-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000591866728 347707400 /nfs/dbraw/zinc/70/74/00/347707400.db2.gz DQCXOLIPHMGUFM-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)no1 ZINC000591866728 347707401 /nfs/dbraw/zinc/70/74/01/347707401.db2.gz DQCXOLIPHMGUFM-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1[nH+]ccn1Cc1cn2cc(C)ccc2[nH+]1 ZINC000176861590 365915953 /nfs/dbraw/zinc/91/59/53/365915953.db2.gz YNJSOKMGOSKORT-UHFFFAOYSA-N 2 2 226.283 2.196 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+]CC[NH+](C)C ZINC000021963133 179336732 /nfs/dbraw/zinc/33/67/32/179336732.db2.gz CEFXLKACXVANQG-LBPRGKRZSA-N 2 2 206.333 2.207 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000088162537 179339145 /nfs/dbraw/zinc/33/91/45/179339145.db2.gz NXILAOZYLQFMOZ-STQMWFEESA-N 2 2 218.344 2.398 20 0 BEADLP Cc1cccn2c(C[NH2+]CC[C@H](C)F)c[nH+]c12 ZINC000339490390 179353699 /nfs/dbraw/zinc/35/36/99/179353699.db2.gz KRJYMWXIMGNUPO-NSHDSACASA-N 2 2 235.306 2.480 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[NH+](C)C ZINC000595005735 348157528 /nfs/dbraw/zinc/15/75/28/348157528.db2.gz DJCIYPZFGCXZFG-SNVBAGLBSA-N 2 2 236.400 2.007 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[NH+]1CCCCC1 ZINC000595003186 348169200 /nfs/dbraw/zinc/16/92/00/348169200.db2.gz CGDHSKRLARYXTK-LBPRGKRZSA-N 2 2 248.411 2.153 20 0 BEADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000419382553 192133910 /nfs/dbraw/zinc/13/39/10/192133910.db2.gz ZHUQHZFBHQQYCX-FRRDWIJNSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000419382553 192133911 /nfs/dbraw/zinc/13/39/11/192133911.db2.gz ZHUQHZFBHQQYCX-FRRDWIJNSA-N 2 2 221.348 2.250 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764592 348599946 /nfs/dbraw/zinc/59/99/46/348599946.db2.gz ZPERAUPGOOGZOS-ZYHUDNBSSA-N 2 2 207.321 2.468 20 0 BEADLP Cc1cc[nH+]c(NCC[C@@H](C)[NH3+])c1Cl ZINC000420154039 192164478 /nfs/dbraw/zinc/16/44/78/192164478.db2.gz HVERESMDYLGNKX-MRVPVSSYSA-N 2 2 213.712 2.193 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)CCCCC1 ZINC000421824169 192387131 /nfs/dbraw/zinc/38/71/31/192387131.db2.gz HJEMPFOCBCIBHF-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000421824926 192386464 /nfs/dbraw/zinc/38/64/64/192386464.db2.gz KXXXZNSMAOYVRR-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000421824926 192386465 /nfs/dbraw/zinc/38/64/65/192386465.db2.gz KXXXZNSMAOYVRR-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP c1cncc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000249923279 349165586 /nfs/dbraw/zinc/16/55/86/349165586.db2.gz XGHLDMQTFVTXPY-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000249923279 349165587 /nfs/dbraw/zinc/16/55/87/349165587.db2.gz XGHLDMQTFVTXPY-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000070733714 179792961 /nfs/dbraw/zinc/79/29/61/179792961.db2.gz SLJUSNAABOMVFC-MNOVXSKESA-N 2 2 239.388 2.102 20 0 BEADLP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000250176395 349167135 /nfs/dbraw/zinc/16/71/35/349167135.db2.gz OPWCHYHNSMBMQO-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000250176395 349167139 /nfs/dbraw/zinc/16/71/39/349167139.db2.gz OPWCHYHNSMBMQO-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP CC(C)[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000062103450 191000958 /nfs/dbraw/zinc/00/09/58/191000958.db2.gz QPDSRVAMSLVYGJ-UHFFFAOYSA-N 2 2 222.332 2.242 20 0 BEADLP c1cn(CCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000302649771 350091651 /nfs/dbraw/zinc/09/16/51/350091651.db2.gz HGLPLRFMWUDTFD-MJBXVCDLSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000218378236 350091660 /nfs/dbraw/zinc/09/16/60/350091660.db2.gz UYVBZSVVHNIBGP-IUCAKERBSA-N 2 2 210.346 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000218378236 350091664 /nfs/dbraw/zinc/09/16/64/350091664.db2.gz UYVBZSVVHNIBGP-IUCAKERBSA-N 2 2 210.346 2.014 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cs1 ZINC000036915587 180036189 /nfs/dbraw/zinc/03/61/89/180036189.db2.gz CZKUGVIRPIMIDB-SECBINFHSA-N 2 2 239.388 2.196 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CCC[NH+](C)C)cs1 ZINC000022863092 180049633 /nfs/dbraw/zinc/04/96/33/180049633.db2.gz YJUXTMJUGWIYET-VIFPVBQESA-N 2 2 227.377 2.054 20 0 BEADLP Cc1nc(NC[C@@H](C)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000272817666 180069308 /nfs/dbraw/zinc/06/93/08/180069308.db2.gz DSCRBAQJQCCFJB-SNVBAGLBSA-N 2 2 248.374 2.026 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000104827808 191066476 /nfs/dbraw/zinc/06/64/76/191066476.db2.gz QCCKCKKBPKZACE-CYBMUJFWSA-N 2 2 247.342 2.203 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000104827808 191066477 /nfs/dbraw/zinc/06/64/77/191066477.db2.gz QCCKCKKBPKZACE-CYBMUJFWSA-N 2 2 247.342 2.203 20 0 BEADLP Cc1nc(NCC[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000266459691 180199110 /nfs/dbraw/zinc/19/91/10/180199110.db2.gz YPFMIUSLCUUOAW-NSHDSACASA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(NCC[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000266459691 180199111 /nfs/dbraw/zinc/19/91/11/180199111.db2.gz YPFMIUSLCUUOAW-NSHDSACASA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(N[C@@H](C[NH3+])C2CCCCC2)cc[nH+]1 ZINC000130842060 180202686 /nfs/dbraw/zinc/20/26/86/180202686.db2.gz NRAQBFQTDXEQLS-LBPRGKRZSA-N 2 2 234.347 2.105 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339677864 180255128 /nfs/dbraw/zinc/25/51/28/180255128.db2.gz DKBJYKSUQUJURM-AWEZNQCLSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339677864 180255131 /nfs/dbraw/zinc/25/51/31/180255131.db2.gz DKBJYKSUQUJURM-AWEZNQCLSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000335157742 180256602 /nfs/dbraw/zinc/25/66/02/180256602.db2.gz VAWYNZRYYNYHHY-UHFFFAOYSA-N 2 2 245.301 2.346 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1Cc2cccc(F)c2C1 ZINC000335157742 180256604 /nfs/dbraw/zinc/25/66/04/180256604.db2.gz VAWYNZRYYNYHHY-UHFFFAOYSA-N 2 2 245.301 2.346 20 0 BEADLP Cc1[nH+]ccn1CCn1cc[nH+]c1C(C)C ZINC000070423066 180264748 /nfs/dbraw/zinc/26/47/48/180264748.db2.gz IKWGJQACXSVZDM-UHFFFAOYSA-N 2 2 218.304 2.212 20 0 BEADLP Cc1[nH+]cn(CCCn2c[nH+]c(C)c2C)c1C ZINC000157919269 180287679 /nfs/dbraw/zinc/28/76/79/180287679.db2.gz ZZUZMMKLGDJTFD-UHFFFAOYSA-N 2 2 232.331 2.404 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000050227776 350315529 /nfs/dbraw/zinc/31/55/29/350315529.db2.gz ULQUIJXXQLXMTQ-OAHLLOKOSA-N 2 2 226.323 2.373 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000050227776 350315532 /nfs/dbraw/zinc/31/55/32/350315532.db2.gz ULQUIJXXQLXMTQ-OAHLLOKOSA-N 2 2 226.323 2.373 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347114152 133804674 /nfs/dbraw/zinc/80/46/74/133804674.db2.gz SITDTNUJGCAKJY-NPPUXFBVSA-N 2 2 234.318 2.262 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCSC1 ZINC000224376994 350319825 /nfs/dbraw/zinc/31/98/25/350319825.db2.gz WWMZDIYBTDJMJP-STQMWFEESA-N 2 2 244.448 2.305 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000309374074 323348959 /nfs/dbraw/zinc/34/89/59/323348959.db2.gz CKGJNTKBXXYNGR-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000309374074 323348963 /nfs/dbraw/zinc/34/89/63/323348963.db2.gz CKGJNTKBXXYNGR-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000163284482 350514761 /nfs/dbraw/zinc/51/47/61/350514761.db2.gz JKWGQZZWPMLEIE-RDBSUJKOSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000163284482 350514763 /nfs/dbraw/zinc/51/47/63/350514763.db2.gz JKWGQZZWPMLEIE-RDBSUJKOSA-N 2 2 242.407 2.121 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000163340996 350515822 /nfs/dbraw/zinc/51/58/22/350515822.db2.gz FJKILKMEAFUCKD-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000163340996 350515825 /nfs/dbraw/zinc/51/58/25/350515825.db2.gz FJKILKMEAFUCKD-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(C3CC3)CC2)n1C ZINC000577508013 365973482 /nfs/dbraw/zinc/97/34/82/365973482.db2.gz DDNOTKPPXFSFHH-UHFFFAOYSA-N 2 2 219.332 2.008 20 0 BEADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000577505981 365972931 /nfs/dbraw/zinc/97/29/31/365972931.db2.gz RYYXVXUWLVIYHE-QWHCGFSZSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000577505981 365972936 /nfs/dbraw/zinc/97/29/36/365972936.db2.gz RYYXVXUWLVIYHE-QWHCGFSZSA-N 2 2 235.375 2.331 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000177156782 365984444 /nfs/dbraw/zinc/98/44/44/365984444.db2.gz CYEFVTPLZATWEA-AAEUAGOBSA-N 2 2 219.332 2.185 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000177156782 365984450 /nfs/dbraw/zinc/98/44/50/365984450.db2.gz CYEFVTPLZATWEA-AAEUAGOBSA-N 2 2 219.332 2.185 20 0 BEADLP CCCC[C@@H](CC)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000339406373 350755033 /nfs/dbraw/zinc/75/50/33/350755033.db2.gz FYSZQXCAMXIRBD-ZIAGYGMSSA-N 2 2 242.407 2.252 20 0 BEADLP CCCC[C@@H](CC)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000339406373 350755037 /nfs/dbraw/zinc/75/50/37/350755037.db2.gz FYSZQXCAMXIRBD-ZIAGYGMSSA-N 2 2 242.407 2.252 20 0 BEADLP CC(C)C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+](C)C ZINC000309079252 191126513 /nfs/dbraw/zinc/12/65/13/191126513.db2.gz NTXCSRRWZHTIHT-FRRDWIJNSA-N 2 2 212.381 2.208 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000397838872 350982679 /nfs/dbraw/zinc/98/26/79/350982679.db2.gz PPAJBHNCFZZBKC-YPMHNXCESA-N 2 2 236.384 2.416 20 0 BEADLP COc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616628202 351097850 /nfs/dbraw/zinc/09/78/50/351097850.db2.gz OFWWVUVVQRYGHI-CYBMUJFWSA-N 2 2 248.370 2.223 20 0 BEADLP COc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616628202 351097854 /nfs/dbraw/zinc/09/78/54/351097854.db2.gz OFWWVUVVQRYGHI-CYBMUJFWSA-N 2 2 248.370 2.223 20 0 BEADLP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000386552810 363013439 /nfs/dbraw/zinc/01/34/39/363013439.db2.gz HHCSDRGHUWSMML-TZMCWYRMSA-N 2 2 233.359 2.010 20 0 BEADLP CC(C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264646394 351250236 /nfs/dbraw/zinc/25/02/36/351250236.db2.gz WVCQTHWTETVVRG-UHFFFAOYSA-N 2 2 207.321 2.176 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252712670 538100189 /nfs/dbraw/zinc/10/01/89/538100189.db2.gz NALQMLJHVRARCP-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252712670 538100192 /nfs/dbraw/zinc/10/01/92/538100192.db2.gz NALQMLJHVRARCP-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP CC(C)C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271798906 351437867 /nfs/dbraw/zinc/43/78/67/351437867.db2.gz KSBVCNZOGRRKQW-UHFFFAOYSA-N 2 2 217.316 2.422 20 0 BEADLP CC(C)C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271798906 351437869 /nfs/dbraw/zinc/43/78/69/351437869.db2.gz KSBVCNZOGRRKQW-UHFFFAOYSA-N 2 2 217.316 2.422 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)sn1 ZINC000637954237 351830096 /nfs/dbraw/zinc/83/00/96/351830096.db2.gz UOBJGWCPRBDZDH-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)sn1 ZINC000637954237 351830097 /nfs/dbraw/zinc/83/00/97/351830097.db2.gz UOBJGWCPRBDZDH-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000638090366 351968589 /nfs/dbraw/zinc/96/85/89/351968589.db2.gz WDZPTUSAMKESOQ-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc(CC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000638090366 351968591 /nfs/dbraw/zinc/96/85/91/351968591.db2.gz WDZPTUSAMKESOQ-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638280222 352118158 /nfs/dbraw/zinc/11/81/58/352118158.db2.gz AQOFLSXBPUGNDV-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638280222 352118161 /nfs/dbraw/zinc/11/81/61/352118161.db2.gz AQOFLSXBPUGNDV-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638292614 352128023 /nfs/dbraw/zinc/12/80/23/352128023.db2.gz XGJJZZFNHRRNNA-UHFFFAOYSA-N 2 2 249.358 2.126 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340238772 352103076 /nfs/dbraw/zinc/10/30/76/352103076.db2.gz KVVDTYWUPBRVHC-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340238772 352103078 /nfs/dbraw/zinc/10/30/78/352103078.db2.gz KVVDTYWUPBRVHC-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340238766 352103091 /nfs/dbraw/zinc/10/30/91/352103091.db2.gz KVVDTYWUPBRVHC-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340238766 352103094 /nfs/dbraw/zinc/10/30/94/352103094.db2.gz KVVDTYWUPBRVHC-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638334738 352153028 /nfs/dbraw/zinc/15/30/28/352153028.db2.gz DCPPYQFJDAITFN-QDMKHBRRSA-N 2 2 236.403 2.498 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H](CC)[NH+]1CCCC1)OC ZINC000638353912 352167476 /nfs/dbraw/zinc/16/74/76/352167476.db2.gz DLLHFQXADYWQDD-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC[C@H]1CCO1 ZINC000638355942 352168412 /nfs/dbraw/zinc/16/84/12/352168412.db2.gz SUYNBLJYWKTVRA-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1ccc(CC[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000638361034 352171813 /nfs/dbraw/zinc/17/18/13/352171813.db2.gz ZLDJJKDDGXNHQI-CQSZACIVSA-N 2 2 243.354 2.412 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362699 352173190 /nfs/dbraw/zinc/17/31/90/352173190.db2.gz CJRFKPSAJYQSBH-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362699 352173191 /nfs/dbraw/zinc/17/31/91/352173191.db2.gz CJRFKPSAJYQSBH-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638363549 352174256 /nfs/dbraw/zinc/17/42/56/352174256.db2.gz OMDRBJYTRJXULF-APIJFGDWSA-N 2 2 236.403 2.354 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638363549 352174259 /nfs/dbraw/zinc/17/42/59/352174259.db2.gz OMDRBJYTRJXULF-APIJFGDWSA-N 2 2 236.403 2.354 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414900139 352175570 /nfs/dbraw/zinc/17/55/70/352175570.db2.gz VQTXHJWLXKXSEU-CQSZACIVSA-N 2 2 248.370 2.301 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000638404887 352211313 /nfs/dbraw/zinc/21/13/13/352211313.db2.gz OWWABOGWMZJSPY-QWRGUYRKSA-N 2 2 243.301 2.297 20 0 BEADLP CCc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000344442678 538102467 /nfs/dbraw/zinc/10/24/67/538102467.db2.gz RKTNZHZYOLNTEO-CJNGLKHVSA-N 2 2 246.398 2.331 20 0 BEADLP CCc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000344442678 538102468 /nfs/dbraw/zinc/10/24/68/538102468.db2.gz RKTNZHZYOLNTEO-CJNGLKHVSA-N 2 2 246.398 2.331 20 0 BEADLP CCc1cc(NCC2CC[NH+](CC)CC2)nc[nH+]1 ZINC000044526321 352351352 /nfs/dbraw/zinc/35/13/52/352351352.db2.gz PWBRNQSPOPFLAQ-UHFFFAOYSA-N 2 2 248.374 2.183 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638586885 352418602 /nfs/dbraw/zinc/41/86/02/352418602.db2.gz XBPJMNSXWSSBKJ-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000638586885 352418603 /nfs/dbraw/zinc/41/86/03/352418603.db2.gz XBPJMNSXWSSBKJ-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638586886 352418652 /nfs/dbraw/zinc/41/86/52/352418652.db2.gz XBPJMNSXWSSBKJ-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000638586886 352418653 /nfs/dbraw/zinc/41/86/53/352418653.db2.gz XBPJMNSXWSSBKJ-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CC)OC ZINC000638602603 352438668 /nfs/dbraw/zinc/43/86/68/352438668.db2.gz DQSBTBZKYNDFSY-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CC)OC ZINC000638602603 352438672 /nfs/dbraw/zinc/43/86/72/352438672.db2.gz DQSBTBZKYNDFSY-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638605853 352441007 /nfs/dbraw/zinc/44/10/07/352441007.db2.gz VFQOKTWOVGEYNN-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638605853 352441012 /nfs/dbraw/zinc/44/10/12/352441012.db2.gz VFQOKTWOVGEYNN-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000415000372 352465100 /nfs/dbraw/zinc/46/51/00/352465100.db2.gz XADUOODFXOIFFO-OUAUKWLOSA-N 2 2 234.334 2.385 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000250787407 535187768 /nfs/dbraw/zinc/18/77/68/535187768.db2.gz JKOXTBRIWSNACO-UKRRQHHQSA-N 2 2 247.386 2.292 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000250787407 535187771 /nfs/dbraw/zinc/18/77/71/535187771.db2.gz JKOXTBRIWSNACO-UKRRQHHQSA-N 2 2 247.386 2.292 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000334192767 352784541 /nfs/dbraw/zinc/78/45/41/352784541.db2.gz JQFCCRBHAUPEAK-JQWIXIFHSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000334192767 352784544 /nfs/dbraw/zinc/78/45/44/352784544.db2.gz JQFCCRBHAUPEAK-JQWIXIFHSA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000336747450 352897825 /nfs/dbraw/zinc/89/78/25/352897825.db2.gz BULWCIAZVYIGNB-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000336747450 352897829 /nfs/dbraw/zinc/89/78/29/352897829.db2.gz BULWCIAZVYIGNB-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334267989 352903782 /nfs/dbraw/zinc/90/37/82/352903782.db2.gz OFEGHOZTAWSKLH-ZANVPECISA-N 2 2 240.297 2.005 20 0 BEADLP c1ccc(NCCC[NH2+]CCC[C@@H]2CCO2)[nH+]c1 ZINC000638873974 353044519 /nfs/dbraw/zinc/04/45/19/353044519.db2.gz OGIFMOOQALHELM-CYBMUJFWSA-N 2 2 249.358 2.042 20 0 BEADLP c1ncc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000334381594 353047390 /nfs/dbraw/zinc/04/73/90/353047390.db2.gz FPENNEANHJZBOI-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP c1ncc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000334381594 353047395 /nfs/dbraw/zinc/04/73/95/353047395.db2.gz FPENNEANHJZBOI-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)C[NH+](C)C ZINC000336772285 188013037 /nfs/dbraw/zinc/01/30/37/188013037.db2.gz YAPFMTPDMQJHDS-RKDXNWHRSA-N 2 2 226.286 2.257 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH]1 ZINC000276494056 188028893 /nfs/dbraw/zinc/02/88/93/188028893.db2.gz WDDTUZQHPHTPFW-OLZOCXBDSA-N 2 2 247.342 2.282 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)[nH]1 ZINC000276494056 188028895 /nfs/dbraw/zinc/02/88/95/188028895.db2.gz WDDTUZQHPHTPFW-OLZOCXBDSA-N 2 2 247.342 2.282 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000336756213 353153181 /nfs/dbraw/zinc/15/31/81/353153181.db2.gz GVDFBPVTNLVFDX-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000336756213 353153182 /nfs/dbraw/zinc/15/31/82/353153182.db2.gz GVDFBPVTNLVFDX-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000157774214 538111293 /nfs/dbraw/zinc/11/12/93/538111293.db2.gz MBOABQCSJQXTML-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000157774214 538111294 /nfs/dbraw/zinc/11/12/94/538111294.db2.gz MBOABQCSJQXTML-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251707589 353286828 /nfs/dbraw/zinc/28/68/28/353286828.db2.gz JGDMYTDFLRUZFD-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251707589 353286832 /nfs/dbraw/zinc/28/68/32/353286832.db2.gz JGDMYTDFLRUZFD-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000300939223 188248415 /nfs/dbraw/zinc/24/84/15/188248415.db2.gz OPDIAQVGPGHTPY-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000300939223 188248417 /nfs/dbraw/zinc/24/84/17/188248417.db2.gz OPDIAQVGPGHTPY-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CSCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336657463 188339887 /nfs/dbraw/zinc/33/98/87/188339887.db2.gz IKJUCHPETLUFQP-CHWSQXEVSA-N 2 2 244.448 2.305 20 0 BEADLP CC(C)CSCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336657463 188339888 /nfs/dbraw/zinc/33/98/88/188339888.db2.gz IKJUCHPETLUFQP-CHWSQXEVSA-N 2 2 244.448 2.305 20 0 BEADLP CC(C)[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000537249130 324060866 /nfs/dbraw/zinc/06/08/66/324060866.db2.gz NAACEGMWZQEKCU-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000537249130 324060870 /nfs/dbraw/zinc/06/08/70/324060870.db2.gz NAACEGMWZQEKCU-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1CC1 ZINC000336764119 188350671 /nfs/dbraw/zinc/35/06/71/188350671.db2.gz POVPNEDNMDYSQQ-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1CC1 ZINC000336764119 188350672 /nfs/dbraw/zinc/35/06/72/188350672.db2.gz POVPNEDNMDYSQQ-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000336648482 188358517 /nfs/dbraw/zinc/35/85/17/188358517.db2.gz CQULTBGYQXOFLS-UHFFFAOYSA-N 2 2 222.376 2.395 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000094079767 353508135 /nfs/dbraw/zinc/50/81/35/353508135.db2.gz LEBMROIMFQNLAZ-TZMCWYRMSA-N 2 2 234.343 2.098 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336778773 353525998 /nfs/dbraw/zinc/52/59/98/353525998.db2.gz MHKKHJVZPWJSIJ-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336778773 353526003 /nfs/dbraw/zinc/52/60/03/353526003.db2.gz MHKKHJVZPWJSIJ-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP CC(C)(C)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231360840 353591723 /nfs/dbraw/zinc/59/17/23/353591723.db2.gz OZTFHIZHOMFCTF-UHFFFAOYSA-N 2 2 220.360 2.493 20 0 BEADLP CC(C)(C)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231360840 353591724 /nfs/dbraw/zinc/59/17/24/353591724.db2.gz OZTFHIZHOMFCTF-UHFFFAOYSA-N 2 2 220.360 2.493 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000334515192 353602256 /nfs/dbraw/zinc/60/22/56/353602256.db2.gz JBQAZQUIIITMEJ-TXEJJXNPSA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000334515192 353602258 /nfs/dbraw/zinc/60/22/58/353602258.db2.gz JBQAZQUIIITMEJ-TXEJJXNPSA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343318841 353671606 /nfs/dbraw/zinc/67/16/06/353671606.db2.gz YVQMANVBQGBLSP-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343318841 353671610 /nfs/dbraw/zinc/67/16/10/353671610.db2.gz YVQMANVBQGBLSP-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP CC1(C)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343316493 353654619 /nfs/dbraw/zinc/65/46/19/353654619.db2.gz SKRBSMXHRVOIOS-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C(C1CCC1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000083839924 353719617 /nfs/dbraw/zinc/71/96/17/353719617.db2.gz HCRCMEYOTZQDIE-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CCC1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000083839924 353719619 /nfs/dbraw/zinc/71/96/19/353719619.db2.gz HCRCMEYOTZQDIE-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000343557465 353920935 /nfs/dbraw/zinc/92/09/35/353920935.db2.gz CFJMITOWHJPPKU-SWLSCSKDSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000343557465 353920937 /nfs/dbraw/zinc/92/09/37/353920937.db2.gz CFJMITOWHJPPKU-SWLSCSKDSA-N 2 2 248.370 2.125 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639165976 354002363 /nfs/dbraw/zinc/00/23/63/354002363.db2.gz VHDVOHGJKDLVNL-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639165976 354002365 /nfs/dbraw/zinc/00/23/65/354002365.db2.gz VHDVOHGJKDLVNL-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC(C)(C)C1 ZINC000334565156 354084890 /nfs/dbraw/zinc/08/48/90/354084890.db2.gz USSYXTPMNIIKHJ-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC(C)(C)C1 ZINC000334565156 354084893 /nfs/dbraw/zinc/08/48/93/354084893.db2.gz USSYXTPMNIIKHJ-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP CCC1(CC)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C[C@@H]1OC ZINC000344164169 354169078 /nfs/dbraw/zinc/16/90/78/354169078.db2.gz IIJUTXOOFQVUTP-UPJWGTAASA-N 2 2 242.407 2.120 20 0 BEADLP CC[C@@](C)(C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175447 354196372 /nfs/dbraw/zinc/19/63/72/354196372.db2.gz NXVCWBYXXNSKPD-ZDUSSCGKSA-N 2 2 239.363 2.020 20 0 BEADLP CC[C@@](C)(C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175447 354196374 /nfs/dbraw/zinc/19/63/74/354196374.db2.gz NXVCWBYXXNSKPD-ZDUSSCGKSA-N 2 2 239.363 2.020 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000344588762 354320671 /nfs/dbraw/zinc/32/06/71/354320671.db2.gz UHNYIEFKQKZXCD-DOMZBBRYSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000344588762 354320674 /nfs/dbraw/zinc/32/06/74/354320674.db2.gz UHNYIEFKQKZXCD-DOMZBBRYSA-N 2 2 232.371 2.289 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1c(C)nn(C)c1C ZINC000344754526 354350663 /nfs/dbraw/zinc/35/06/63/354350663.db2.gz BFMHFKFFUGPZFA-GFCCVEGCSA-N 2 2 247.346 2.001 20 0 BEADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)CC1(C)C ZINC000334632302 354375819 /nfs/dbraw/zinc/37/58/19/354375819.db2.gz IJVNHNQIBGFBQK-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)CC1(C)C ZINC000334632302 354375822 /nfs/dbraw/zinc/37/58/22/354375822.db2.gz IJVNHNQIBGFBQK-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634703 366200035 /nfs/dbraw/zinc/20/00/35/366200035.db2.gz USDJIZPDOVUEFL-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634703 366200041 /nfs/dbraw/zinc/20/00/41/366200041.db2.gz USDJIZPDOVUEFL-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334644236 354402314 /nfs/dbraw/zinc/40/23/14/354402314.db2.gz HDUQRZANGMDQPN-GFCCVEGCSA-N 2 2 245.301 2.196 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334644236 354402316 /nfs/dbraw/zinc/40/23/16/354402316.db2.gz HDUQRZANGMDQPN-GFCCVEGCSA-N 2 2 245.301 2.196 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000345045338 354458540 /nfs/dbraw/zinc/45/85/40/354458540.db2.gz ZDJLZUKATUOQBW-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000345045338 354458542 /nfs/dbraw/zinc/45/85/42/354458542.db2.gz ZDJLZUKATUOQBW-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000334700059 354492703 /nfs/dbraw/zinc/49/27/03/354492703.db2.gz ZKILXUVQUFDVTJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000334700059 354492707 /nfs/dbraw/zinc/49/27/07/354492707.db2.gz ZKILXUVQUFDVTJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000334700059 354492710 /nfs/dbraw/zinc/49/27/10/354492710.db2.gz ZKILXUVQUFDVTJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000334700059 354492714 /nfs/dbraw/zinc/49/27/14/354492714.db2.gz ZKILXUVQUFDVTJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702082 354495270 /nfs/dbraw/zinc/49/52/70/354495270.db2.gz ILAOVNQNCUQJSQ-WNYYMSAVSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702082 354495274 /nfs/dbraw/zinc/49/52/74/354495274.db2.gz ILAOVNQNCUQJSQ-WNYYMSAVSA-N 2 2 246.345 2.350 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000335112143 354699017 /nfs/dbraw/zinc/69/90/17/354699017.db2.gz TXKMSKGWLBJLGM-UHFFFAOYSA-N 2 2 218.344 2.044 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000335112143 354699021 /nfs/dbraw/zinc/69/90/21/354699021.db2.gz TXKMSKGWLBJLGM-UHFFFAOYSA-N 2 2 218.344 2.044 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000335144491 354852118 /nfs/dbraw/zinc/85/21/18/354852118.db2.gz ILBFAYOPUVMNBU-GFCCVEGCSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000335144491 354852120 /nfs/dbraw/zinc/85/21/20/354852120.db2.gz ILBFAYOPUVMNBU-GFCCVEGCSA-N 2 2 245.326 2.311 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CC[C@@H]3CCCO3)CC2)[nH]1 ZINC000346499075 354961245 /nfs/dbraw/zinc/96/12/45/354961245.db2.gz NYUMZBXYMHKMIN-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000346468357 354954560 /nfs/dbraw/zinc/95/45/60/354954560.db2.gz AISDELLJPJYLDX-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000346613355 354993448 /nfs/dbraw/zinc/99/34/48/354993448.db2.gz MKZGTDIETVVGCI-NSHDSACASA-N 2 2 233.290 2.492 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000335193018 355025849 /nfs/dbraw/zinc/02/58/49/355025849.db2.gz HMRCPCJNTNPNTI-STQMWFEESA-N 2 2 237.347 2.041 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346804315 355109562 /nfs/dbraw/zinc/10/95/62/355109562.db2.gz HARHBIJONVJKMV-MELADBBJSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346804315 355109565 /nfs/dbraw/zinc/10/95/65/355109565.db2.gz HARHBIJONVJKMV-MELADBBJSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000347017872 355206875 /nfs/dbraw/zinc/20/68/75/355206875.db2.gz KRRZNSFVNZWVPZ-UFFNRZRYSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000347017872 355206879 /nfs/dbraw/zinc/20/68/79/355206879.db2.gz KRRZNSFVNZWVPZ-UFFNRZRYSA-N 2 2 222.307 2.118 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@H+](C)CC2CC2)s1 ZINC000347663806 355254820 /nfs/dbraw/zinc/25/48/20/355254820.db2.gz NDBAMQPNUHDYPT-UHFFFAOYSA-N 2 2 239.388 2.047 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CC2CC2)s1 ZINC000347663806 355254824 /nfs/dbraw/zinc/25/48/24/355254824.db2.gz NDBAMQPNUHDYPT-UHFFFAOYSA-N 2 2 239.388 2.047 20 0 BEADLP Cc1ccc(CCNc2cc[nH+]cc2C)[nH+]c1 ZINC000413350045 191373399 /nfs/dbraw/zinc/37/33/99/191373399.db2.gz VBQGAGASJURWED-UHFFFAOYSA-N 2 2 227.311 2.170 20 0 BEADLP CC[NH+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347668098 355258271 /nfs/dbraw/zinc/25/82/71/355258271.db2.gz IAMZQTDEENSZBF-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000335616451 355323284 /nfs/dbraw/zinc/32/32/84/355323284.db2.gz HCAKSEXOCRZIQW-OCCSQVGLSA-N 2 2 218.344 2.316 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC1(F)F ZINC000639302789 355650163 /nfs/dbraw/zinc/65/01/63/355650163.db2.gz ITPPYNBYSDEHCR-GARJFASQSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CC1(F)F ZINC000639302789 355650168 /nfs/dbraw/zinc/65/01/68/355650168.db2.gz ITPPYNBYSDEHCR-GARJFASQSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC1(F)F ZINC000639304768 355659909 /nfs/dbraw/zinc/65/99/09/355659909.db2.gz BEKDBALOAPBNNL-DCAQKATOSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC1(F)F ZINC000639304768 355659915 /nfs/dbraw/zinc/65/99/15/355659915.db2.gz BEKDBALOAPBNNL-DCAQKATOSA-N 2 2 246.345 2.493 20 0 BEADLP Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)c(F)c1 ZINC000639310652 355664867 /nfs/dbraw/zinc/66/48/67/355664867.db2.gz VEHLEWLVMRXDMQ-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)c(F)c1 ZINC000639310652 355664870 /nfs/dbraw/zinc/66/48/70/355664870.db2.gz VEHLEWLVMRXDMQ-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000389208504 355873270 /nfs/dbraw/zinc/87/32/70/355873270.db2.gz BKJCZARBMLBDAX-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000389208504 355873271 /nfs/dbraw/zinc/87/32/71/355873271.db2.gz BKJCZARBMLBDAX-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c[nH+]1 ZINC000639377228 355904367 /nfs/dbraw/zinc/90/43/67/355904367.db2.gz JZJOVSJNBMDUPH-VNHYZAJKSA-N 2 2 248.370 2.478 20 0 BEADLP CCC1([NH+](C)C)CC[NH+](CC2(F)CC2)CC1 ZINC000639379585 355915630 /nfs/dbraw/zinc/91/56/30/355915630.db2.gz RCYJUTYEWNJNPI-UHFFFAOYSA-N 2 2 228.355 2.295 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC000389280459 355947997 /nfs/dbraw/zinc/94/79/97/355947997.db2.gz UMAYNVDOXRVVLL-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC000389280459 355947999 /nfs/dbraw/zinc/94/79/99/355947999.db2.gz UMAYNVDOXRVVLL-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP C[N@H+](Cc1cccs1)[C@H]1C[NH+]2CCC1CC2 ZINC000639396062 356096839 /nfs/dbraw/zinc/09/68/39/356096839.db2.gz GLQFDGCVJVKELF-ZDUSSCGKSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+](Cc1cccs1)[C@H]1C[NH+]2CCC1CC2 ZINC000639396062 356096844 /nfs/dbraw/zinc/09/68/44/356096844.db2.gz GLQFDGCVJVKELF-ZDUSSCGKSA-N 2 2 236.384 2.274 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000420296974 192204724 /nfs/dbraw/zinc/20/47/24/192204724.db2.gz XTGVBZXVYSJHMY-NEPJUHHUSA-N 2 2 239.363 2.349 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000420296974 192204725 /nfs/dbraw/zinc/20/47/25/192204725.db2.gz XTGVBZXVYSJHMY-NEPJUHHUSA-N 2 2 239.363 2.349 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000420283579 192200332 /nfs/dbraw/zinc/20/03/32/192200332.db2.gz CEXPXJUFYFQGKF-SECBINFHSA-N 2 2 224.270 2.142 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000420283579 192200335 /nfs/dbraw/zinc/20/03/35/192200335.db2.gz CEXPXJUFYFQGKF-SECBINFHSA-N 2 2 224.270 2.142 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c(C)n1 ZINC000420289979 192201836 /nfs/dbraw/zinc/20/18/36/192201836.db2.gz LAHJBDOTOJACKL-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c(C)n1 ZINC000420289979 192201838 /nfs/dbraw/zinc/20/18/38/192201838.db2.gz LAHJBDOTOJACKL-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP CN(C)c1ccccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000420331136 192214953 /nfs/dbraw/zinc/21/49/53/192214953.db2.gz QQLCIPMMTPCYBS-UHFFFAOYSA-N 2 2 247.386 2.066 20 0 BEADLP CN(C)c1ccccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420331136 192214956 /nfs/dbraw/zinc/21/49/56/192214956.db2.gz QQLCIPMMTPCYBS-UHFFFAOYSA-N 2 2 247.386 2.066 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349934 192217270 /nfs/dbraw/zinc/21/72/70/192217270.db2.gz FFYZZHHIXDODAJ-KWBADKCTSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349934 192217272 /nfs/dbraw/zinc/21/72/72/192217272.db2.gz FFYZZHHIXDODAJ-KWBADKCTSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000420316579 192212546 /nfs/dbraw/zinc/21/25/46/192212546.db2.gz MOTONUXDQMCROX-AAEUAGOBSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000420316579 192212548 /nfs/dbraw/zinc/21/25/48/192212548.db2.gz MOTONUXDQMCROX-AAEUAGOBSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000639532157 356381685 /nfs/dbraw/zinc/38/16/85/356381685.db2.gz BIMFKAYCJCBTOX-AVGNSLFASA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000639532157 356381686 /nfs/dbraw/zinc/38/16/86/356381686.db2.gz BIMFKAYCJCBTOX-AVGNSLFASA-N 2 2 249.358 2.014 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000420358393 192219155 /nfs/dbraw/zinc/21/91/55/192219155.db2.gz IPDOEURBOXLFAU-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccccn1 ZINC000420361750 192221751 /nfs/dbraw/zinc/22/17/51/192221751.db2.gz IIXAUYBVRDZORJ-GFQSEFKGSA-N 2 2 233.359 2.119 20 0 BEADLP CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392618 192237586 /nfs/dbraw/zinc/23/75/86/192237586.db2.gz WDESQPRNOYGZEE-SCDSUCTJSA-N 2 2 236.334 2.351 20 0 BEADLP CC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392618 192237588 /nfs/dbraw/zinc/23/75/88/192237588.db2.gz WDESQPRNOYGZEE-SCDSUCTJSA-N 2 2 236.334 2.351 20 0 BEADLP CCCC[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420409398 192240070 /nfs/dbraw/zinc/24/00/70/192240070.db2.gz VNFQUXZPEHGFSG-GXTWGEPZSA-N 2 2 236.334 2.352 20 0 BEADLP CCCC[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420409398 192240072 /nfs/dbraw/zinc/24/00/72/192240072.db2.gz VNFQUXZPEHGFSG-GXTWGEPZSA-N 2 2 236.334 2.352 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000087771263 491091756 /nfs/dbraw/zinc/09/17/56/491091756.db2.gz XXGXPMWIWXRZFJ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000087771263 491091758 /nfs/dbraw/zinc/09/17/58/491091758.db2.gz XXGXPMWIWXRZFJ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP c1c[nH+]c(CNc2cc3c(c[nH+]2)CCCC3)[nH]1 ZINC000580386204 356442522 /nfs/dbraw/zinc/44/25/22/356442522.db2.gz MTJOPDNVVTWGNU-UHFFFAOYSA-N 2 2 228.299 2.296 20 0 BEADLP CCC(F)(F)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000639563924 356479984 /nfs/dbraw/zinc/47/99/84/356479984.db2.gz DBILOTXAWIYZQI-JTQLQIEISA-N 2 2 243.301 2.255 20 0 BEADLP CCC(F)(F)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000639563924 356479986 /nfs/dbraw/zinc/47/99/86/356479986.db2.gz DBILOTXAWIYZQI-JTQLQIEISA-N 2 2 243.301 2.255 20 0 BEADLP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]cc1Cl ZINC000420635236 192253228 /nfs/dbraw/zinc/25/32/28/192253228.db2.gz LPNTWTBIBRBMHD-SNVBAGLBSA-N 2 2 239.750 2.265 20 0 BEADLP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]cc1Cl ZINC000420635236 192253231 /nfs/dbraw/zinc/25/32/31/192253231.db2.gz LPNTWTBIBRBMHD-SNVBAGLBSA-N 2 2 239.750 2.265 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]1C ZINC000179660793 366282230 /nfs/dbraw/zinc/28/22/30/366282230.db2.gz JWCUCNJKPUJVSJ-OLZOCXBDSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1C ZINC000179660793 366282235 /nfs/dbraw/zinc/28/22/35/366282235.db2.gz JWCUCNJKPUJVSJ-OLZOCXBDSA-N 2 2 221.348 2.251 20 0 BEADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCSC1 ZINC000449780176 202031715 /nfs/dbraw/zinc/03/17/15/202031715.db2.gz FNHFIZXUPOPHEV-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCSC1 ZINC000449780176 202031719 /nfs/dbraw/zinc/03/17/19/202031719.db2.gz FNHFIZXUPOPHEV-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)n1 ZINC000582249535 356683462 /nfs/dbraw/zinc/68/34/62/356683462.db2.gz PZUXFQIEYRMZED-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)n1 ZINC000582249535 356683466 /nfs/dbraw/zinc/68/34/66/356683466.db2.gz PZUXFQIEYRMZED-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)n1 ZINC000582249535 356683470 /nfs/dbraw/zinc/68/34/70/356683470.db2.gz PZUXFQIEYRMZED-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)n1 ZINC000582249535 356683475 /nfs/dbraw/zinc/68/34/75/356683475.db2.gz PZUXFQIEYRMZED-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@@H]2C)C[NH2+]1 ZINC000219966265 538536599 /nfs/dbraw/zinc/53/65/99/538536599.db2.gz MLNYXWZTLWUOFA-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)C[NH2+]1 ZINC000219966265 538536606 /nfs/dbraw/zinc/53/66/06/538536606.db2.gz MLNYXWZTLWUOFA-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000162769471 363567576 /nfs/dbraw/zinc/56/75/76/363567576.db2.gz KMJDELFEIRBSKY-ZDUSSCGKSA-N 2 2 220.360 2.077 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2)CC1(C)C ZINC000623373050 356882224 /nfs/dbraw/zinc/88/22/24/356882224.db2.gz QHEYNQOITJLZFU-GFCCVEGCSA-N 2 2 222.332 2.242 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2)CC1(C)C ZINC000623373050 356882228 /nfs/dbraw/zinc/88/22/28/356882228.db2.gz QHEYNQOITJLZFU-GFCCVEGCSA-N 2 2 222.332 2.242 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155851772 538737696 /nfs/dbraw/zinc/73/76/96/538737696.db2.gz JUVIMKSUPKMYGI-DGCLKSJQSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155851772 538737700 /nfs/dbraw/zinc/73/77/00/538737700.db2.gz JUVIMKSUPKMYGI-DGCLKSJQSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cn1 ZINC000155624887 538722655 /nfs/dbraw/zinc/72/26/55/538722655.db2.gz BCXJGEZBMLBYLB-LBPRGKRZSA-N 2 2 244.342 2.012 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ncc[nH]1 ZINC000353499245 538745859 /nfs/dbraw/zinc/74/58/59/538745859.db2.gz CNZQSXOJFJGKPY-LLVKDONJSA-N 2 2 248.374 2.077 20 0 BEADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000353485125 538742900 /nfs/dbraw/zinc/74/29/00/538742900.db2.gz SNSPYSGBIJSYDV-RYUDHWBXSA-N 2 2 238.379 2.181 20 0 BEADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000353485125 538742903 /nfs/dbraw/zinc/74/29/03/538742903.db2.gz SNSPYSGBIJSYDV-RYUDHWBXSA-N 2 2 238.379 2.181 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000310042476 491105770 /nfs/dbraw/zinc/10/57/70/491105770.db2.gz ZKXRPKBMTVSEMX-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000310042476 491105772 /nfs/dbraw/zinc/10/57/72/491105772.db2.gz ZKXRPKBMTVSEMX-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389546272 356986547 /nfs/dbraw/zinc/98/65/47/356986547.db2.gz MEFCNXILSFUABA-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389546272 356986550 /nfs/dbraw/zinc/98/65/50/356986550.db2.gz MEFCNXILSFUABA-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389546309 356986776 /nfs/dbraw/zinc/98/67/76/356986776.db2.gz MFLVQAIUULYLIE-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389546309 356986778 /nfs/dbraw/zinc/98/67/78/356986778.db2.gz MFLVQAIUULYLIE-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353668505 538755538 /nfs/dbraw/zinc/75/55/38/538755538.db2.gz GQYYUUFWVDBFJR-FRRDWIJNSA-N 2 2 233.359 2.222 20 0 BEADLP CCC[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389904832 357064860 /nfs/dbraw/zinc/06/48/60/357064860.db2.gz GFIMNPBGDKSXFU-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP CCC[C@@H](C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389904832 357064861 /nfs/dbraw/zinc/06/48/61/357064861.db2.gz GFIMNPBGDKSXFU-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000423244875 192648757 /nfs/dbraw/zinc/64/87/57/192648757.db2.gz OFGPCIUMVXJZQQ-WFASDCNBSA-N 2 2 248.370 2.091 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC000390473003 357095745 /nfs/dbraw/zinc/09/57/45/357095745.db2.gz JSZDDYRZXIAPPO-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)CCC1 ZINC000390473003 357095750 /nfs/dbraw/zinc/09/57/50/357095750.db2.gz JSZDDYRZXIAPPO-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000423267093 192661841 /nfs/dbraw/zinc/66/18/41/192661841.db2.gz SOPDZPREVNBENQ-VHSXEESVSA-N 2 2 227.377 2.167 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC1 ZINC000393755308 357296473 /nfs/dbraw/zinc/29/64/73/357296473.db2.gz WPFQWLSARDAACD-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP Fc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000393753584 357296551 /nfs/dbraw/zinc/29/65/51/357296551.db2.gz QSUKXXWHTMHCOJ-UHFFFAOYSA-N 2 2 222.307 2.011 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389550739 538823423 /nfs/dbraw/zinc/82/34/23/538823423.db2.gz OOKFHSYMIAKWIU-ROKHWSDSSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000389550739 538823432 /nfs/dbraw/zinc/82/34/32/538823432.db2.gz OOKFHSYMIAKWIU-ROKHWSDSSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccoc1 ZINC000582720481 357370262 /nfs/dbraw/zinc/37/02/62/357370262.db2.gz PEWAWOKZFVCKPH-MVWJERBFSA-N 2 2 208.305 2.200 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000582499514 357330299 /nfs/dbraw/zinc/33/02/99/357330299.db2.gz JDOSJHYFNFYUCH-VHDGCEQUSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000582499514 357330304 /nfs/dbraw/zinc/33/03/04/357330304.db2.gz JDOSJHYFNFYUCH-VHDGCEQUSA-N 2 2 236.403 2.497 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000157652796 538833727 /nfs/dbraw/zinc/83/37/27/538833727.db2.gz LWHPIDPYZOBDPO-AWEZNQCLSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000157652796 538833729 /nfs/dbraw/zinc/83/37/29/538833729.db2.gz LWHPIDPYZOBDPO-AWEZNQCLSA-N 2 2 234.387 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157805684 538841068 /nfs/dbraw/zinc/84/10/68/538841068.db2.gz RSOPYWRISQFFOD-ZIAGYGMSSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157805684 538841075 /nfs/dbraw/zinc/84/10/75/538841075.db2.gz RSOPYWRISQFFOD-ZIAGYGMSSA-N 2 2 222.376 2.249 20 0 BEADLP CCC(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000232916778 357684071 /nfs/dbraw/zinc/68/40/71/357684071.db2.gz ZRWFFLBCOFMAGM-UHFFFAOYSA-N 2 2 238.379 2.012 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000217517877 357908926 /nfs/dbraw/zinc/90/89/26/357908926.db2.gz LVFPFFFVCNIRQX-SMGNDMQFSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000217517877 357908929 /nfs/dbraw/zinc/90/89/29/357908929.db2.gz LVFPFFFVCNIRQX-SMGNDMQFSA-N 2 2 216.328 2.123 20 0 BEADLP Cc1n[nH]cc1C[N@H+](C)CCc1cc[nH+]cc1C ZINC000639972522 358031783 /nfs/dbraw/zinc/03/17/83/358031783.db2.gz URIZQZAYPYOAJB-UHFFFAOYSA-N 2 2 244.342 2.096 20 0 BEADLP Cc1n[nH]cc1C[N@@H+](C)CCc1cc[nH+]cc1C ZINC000639972522 358031786 /nfs/dbraw/zinc/03/17/86/358031786.db2.gz URIZQZAYPYOAJB-UHFFFAOYSA-N 2 2 244.342 2.096 20 0 BEADLP CCc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000584534373 358044397 /nfs/dbraw/zinc/04/43/97/358044397.db2.gz MXPBFMFAQYJIPK-UHFFFAOYSA-N 2 2 232.371 2.434 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1F ZINC000168797346 134247583 /nfs/dbraw/zinc/24/75/83/134247583.db2.gz CDJZQKMRQRUBLQ-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1F ZINC000168797346 134247584 /nfs/dbraw/zinc/24/75/84/134247584.db2.gz CDJZQKMRQRUBLQ-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CC1Cc2ccccc2C1 ZINC000584561708 358056977 /nfs/dbraw/zinc/05/69/77/358056977.db2.gz VSESIOXQANVUNF-UHFFFAOYSA-N 2 2 246.398 2.331 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CC1Cc2ccccc2C1 ZINC000584561708 358056979 /nfs/dbraw/zinc/05/69/79/358056979.db2.gz VSESIOXQANVUNF-UHFFFAOYSA-N 2 2 246.398 2.331 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000583872595 358081515 /nfs/dbraw/zinc/08/15/15/358081515.db2.gz UXZDTOUWCODGTL-ZDEQEGDKSA-N 2 2 210.365 2.234 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000583872595 358081517 /nfs/dbraw/zinc/08/15/17/358081517.db2.gz UXZDTOUWCODGTL-ZDEQEGDKSA-N 2 2 210.365 2.234 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1C ZINC000583882987 358119377 /nfs/dbraw/zinc/11/93/77/358119377.db2.gz BBGDCDQZKNHVBM-KGYLQXTDSA-N 2 2 219.332 2.007 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000584756529 358169680 /nfs/dbraw/zinc/16/96/80/358169680.db2.gz PNMDJSSBEPOXKD-JHJVBQTASA-N 2 2 233.359 2.366 20 0 BEADLP Cc1ccc(F)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538754 491127340 /nfs/dbraw/zinc/12/73/40/491127340.db2.gz BUFBJRPREMNTEK-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538754 491127341 /nfs/dbraw/zinc/12/73/41/491127341.db2.gz BUFBJRPREMNTEK-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CC1CCC1 ZINC000227723794 358362001 /nfs/dbraw/zinc/36/20/01/358362001.db2.gz YXBVDJXCANGVDR-OAHLLOKOSA-N 2 2 230.355 2.345 20 0 BEADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CC1CCC1 ZINC000227723794 358362006 /nfs/dbraw/zinc/36/20/06/358362006.db2.gz YXBVDJXCANGVDR-OAHLLOKOSA-N 2 2 230.355 2.345 20 0 BEADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CC1CCC1 ZINC000227723796 358362441 /nfs/dbraw/zinc/36/24/41/358362441.db2.gz YXBVDJXCANGVDR-HNNXBMFYSA-N 2 2 230.355 2.345 20 0 BEADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CC1CCC1 ZINC000227723796 358362444 /nfs/dbraw/zinc/36/24/44/358362444.db2.gz YXBVDJXCANGVDR-HNNXBMFYSA-N 2 2 230.355 2.345 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000045094488 358400623 /nfs/dbraw/zinc/40/06/23/358400623.db2.gz ZYYRMRVMLYMRRR-CYBMUJFWSA-N 2 2 244.342 2.409 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684641 358552113 /nfs/dbraw/zinc/55/21/13/358552113.db2.gz KZIKWHSUTSUNSE-YPMHNXCESA-N 2 2 246.354 2.280 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684641 358552115 /nfs/dbraw/zinc/55/21/15/358552115.db2.gz KZIKWHSUTSUNSE-YPMHNXCESA-N 2 2 246.354 2.280 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000130028445 358605486 /nfs/dbraw/zinc/60/54/86/358605486.db2.gz KJLPXEGTZUUSLN-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000130028445 358605489 /nfs/dbraw/zinc/60/54/89/358605489.db2.gz KJLPXEGTZUUSLN-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000130066041 358606504 /nfs/dbraw/zinc/60/65/04/358606504.db2.gz WNKXIZMTEHWPET-QWHCGFSZSA-N 2 2 220.360 2.330 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CCn1cc[nH+]c1 ZINC000132118852 491134869 /nfs/dbraw/zinc/13/48/69/491134869.db2.gz KOZVNIZKQPTTPB-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCC[NH3+] ZINC000133209246 358748878 /nfs/dbraw/zinc/74/88/78/358748878.db2.gz NOJYOKAIERDPOO-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC[NH3+] ZINC000133209246 358748882 /nfs/dbraw/zinc/74/88/82/358748882.db2.gz NOJYOKAIERDPOO-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000134841671 358807702 /nfs/dbraw/zinc/80/77/02/358807702.db2.gz NMAZHTIALYSFNM-KGLIPLIRSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000578237351 366467119 /nfs/dbraw/zinc/46/71/19/366467119.db2.gz JQRNDNFOJXRADY-USXUBVMZSA-N 2 2 234.318 2.118 20 0 BEADLP C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000578237351 366467123 /nfs/dbraw/zinc/46/71/23/366467123.db2.gz JQRNDNFOJXRADY-USXUBVMZSA-N 2 2 234.318 2.118 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000177820243 134300379 /nfs/dbraw/zinc/30/03/79/134300379.db2.gz MFWKCTASTRFBBH-ZDUSSCGKSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000177820243 134300380 /nfs/dbraw/zinc/30/03/80/134300380.db2.gz MFWKCTASTRFBBH-ZDUSSCGKSA-N 2 2 248.374 2.296 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)CCO1 ZINC000070361413 359051113 /nfs/dbraw/zinc/05/11/13/359051113.db2.gz XLRTYNHYSUFBOV-UONOGXRCSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CCO1 ZINC000070361413 359051116 /nfs/dbraw/zinc/05/11/16/359051116.db2.gz XLRTYNHYSUFBOV-UONOGXRCSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)CCO1 ZINC000070361410 359051331 /nfs/dbraw/zinc/05/13/31/359051331.db2.gz XLRTYNHYSUFBOV-KGLIPLIRSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)CCO1 ZINC000070361410 359051334 /nfs/dbraw/zinc/05/13/34/359051334.db2.gz XLRTYNHYSUFBOV-KGLIPLIRSA-N 2 2 242.407 2.120 20 0 BEADLP c1cc2c(cccc2C[NH2+]CCn2cc[nH+]c2)[nH]1 ZINC000070938611 359066155 /nfs/dbraw/zinc/06/61/55/359066155.db2.gz WWUYYRRYWUVKKD-UHFFFAOYSA-N 2 2 240.310 2.154 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)oc1C ZINC000423323111 192706949 /nfs/dbraw/zinc/70/69/49/192706949.db2.gz OHLJGRTYDPANSE-BXKDBHETSA-N 2 2 222.332 2.284 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000177844351 134303746 /nfs/dbraw/zinc/30/37/46/134303746.db2.gz RPKVOXZNIFRHCU-ZIAGYGMSSA-N 2 2 244.423 2.367 20 0 BEADLP CC(C)c1[nH+]ccn1CCC[NH+]1CCCC1 ZINC000070422989 359053324 /nfs/dbraw/zinc/05/33/24/359053324.db2.gz KNRNLAZHJSVHJS-UHFFFAOYSA-N 2 2 221.348 2.492 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423331634 192711993 /nfs/dbraw/zinc/71/19/93/192711993.db2.gz USEPXWIRVHFYHX-FZMZJTMJSA-N 2 2 248.370 2.392 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sccc1OC ZINC000423394707 192766856 /nfs/dbraw/zinc/76/68/56/192766856.db2.gz ZYZRIASELZXAPR-NXEZZACHSA-N 2 2 242.388 2.405 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000423440592 192771115 /nfs/dbraw/zinc/77/11/15/192771115.db2.gz ASJOWFAAKJCQPH-GXSJLCMTSA-N 2 2 210.321 2.284 20 0 BEADLP C([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676283 359723180 /nfs/dbraw/zinc/72/31/80/359723180.db2.gz PCGYKBXUZDJKTJ-YIYPIFLZSA-N 2 2 234.387 2.249 20 0 BEADLP C([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676283 359723185 /nfs/dbraw/zinc/72/31/85/359723185.db2.gz PCGYKBXUZDJKTJ-YIYPIFLZSA-N 2 2 234.387 2.249 20 0 BEADLP CC[C@H]1C[N@H+](CC)CCN1c1cc(C)[nH+]c(C)n1 ZINC000450827129 202279696 /nfs/dbraw/zinc/27/96/96/202279696.db2.gz HESZIRGYTZJPLS-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP CC[C@H]1C[N@@H+](CC)CCN1c1cc(C)[nH+]c(C)n1 ZINC000450827129 202279697 /nfs/dbraw/zinc/27/96/97/202279697.db2.gz HESZIRGYTZJPLS-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP Cc1cc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000450952392 202318922 /nfs/dbraw/zinc/31/89/22/202318922.db2.gz SRXFLDMZZYHPTL-ZDUSSCGKSA-N 2 2 248.374 2.012 20 0 BEADLP Cc1cc(N(C)[C@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000450952392 202318925 /nfs/dbraw/zinc/31/89/25/202318925.db2.gz SRXFLDMZZYHPTL-ZDUSSCGKSA-N 2 2 248.374 2.012 20 0 BEADLP Fc1ccc2c(c1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000091895232 360135319 /nfs/dbraw/zinc/13/53/19/360135319.db2.gz XSIXNTJGNSVTPH-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Fc1ccc2c(c1)CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000091895232 360135320 /nfs/dbraw/zinc/13/53/20/360135320.db2.gz XSIXNTJGNSVTPH-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP CC[N@@H+](Cc1ccccn1)C[C@H]([NH3+])CC(C)C ZINC000094918391 360327803 /nfs/dbraw/zinc/32/78/03/360327803.db2.gz WSRATMVWPJAJEY-CYBMUJFWSA-N 2 2 235.375 2.277 20 0 BEADLP CC[N@H+](Cc1ccccn1)C[C@H]([NH3+])CC(C)C ZINC000094918391 360327804 /nfs/dbraw/zinc/32/78/04/360327804.db2.gz WSRATMVWPJAJEY-CYBMUJFWSA-N 2 2 235.375 2.277 20 0 BEADLP COC1CCC([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000097928112 360382305 /nfs/dbraw/zinc/38/23/05/360382305.db2.gz PBMUHINPFZLUTJ-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccccc1 ZINC000060312913 360442010 /nfs/dbraw/zinc/44/20/10/360442010.db2.gz UFRNDOMRRSAXKI-UHFFFAOYSA-N 2 2 229.327 2.095 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccccc1 ZINC000060312913 360442014 /nfs/dbraw/zinc/44/20/14/360442014.db2.gz UFRNDOMRRSAXKI-UHFFFAOYSA-N 2 2 229.327 2.095 20 0 BEADLP COc1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414851065 200770131 /nfs/dbraw/zinc/77/01/31/200770131.db2.gz SXICZJOHCOYXCB-GBXSZLQWSA-N 2 2 246.354 2.050 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1C ZINC000414923085 200781858 /nfs/dbraw/zinc/78/18/58/200781858.db2.gz GXPRZANPFIPEGD-BXUZGUMPSA-N 2 2 248.370 2.091 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000629390131 361038100 /nfs/dbraw/zinc/03/81/00/361038100.db2.gz KOXPPAXWSGOXOW-QWHCGFSZSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000629395497 361043148 /nfs/dbraw/zinc/04/31/48/361043148.db2.gz DGFDPTVKCIRULG-WCQYABFASA-N 2 2 236.334 2.364 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629394465 361043278 /nfs/dbraw/zinc/04/32/78/361043278.db2.gz IILPFRFSSAQHNY-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000629407977 361056885 /nfs/dbraw/zinc/05/68/85/361056885.db2.gz NODQRHRPOVRRQX-VZSTXYILSA-N 2 2 234.318 2.179 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC000629391052 361045700 /nfs/dbraw/zinc/04/57/00/361045700.db2.gz SYPVYPZLAKTKJL-UONOGXRCSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000629406032 361054057 /nfs/dbraw/zinc/05/40/57/361054057.db2.gz HIPZUUUIQSSSPH-GXTWGEPZSA-N 2 2 218.344 2.143 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000629514680 361112796 /nfs/dbraw/zinc/11/27/96/361112796.db2.gz NAZCMRDCDMHDSA-CQSZACIVSA-N 2 2 247.386 2.437 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000629514680 361112798 /nfs/dbraw/zinc/11/27/98/361112798.db2.gz NAZCMRDCDMHDSA-CQSZACIVSA-N 2 2 247.386 2.437 20 0 BEADLP Cc1ccc(C[NH2+]CCC[NH+]2CCC2)c(F)c1 ZINC000631105933 361166838 /nfs/dbraw/zinc/16/68/38/361166838.db2.gz XLFBSIOQQUQVOQ-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccncc1F ZINC000578994752 366689777 /nfs/dbraw/zinc/68/97/77/366689777.db2.gz ODKIZIKJBBRTEP-LLVKDONJSA-N 2 2 239.338 2.259 20 0 BEADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309822885 491157350 /nfs/dbraw/zinc/15/73/50/491157350.db2.gz WSOWRVCXUOJQJZ-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429435048 201108214 /nfs/dbraw/zinc/10/82/14/201108214.db2.gz INQIIYWXLHDUIO-XBFCOCLRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429435048 201108216 /nfs/dbraw/zinc/10/82/16/201108216.db2.gz INQIIYWXLHDUIO-XBFCOCLRSA-N 2 2 234.387 2.391 20 0 BEADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000429516812 201112227 /nfs/dbraw/zinc/11/22/27/201112227.db2.gz FGNIKFQIOJIWHH-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CCC1 ZINC000429516812 201112229 /nfs/dbraw/zinc/11/22/29/201112229.db2.gz FGNIKFQIOJIWHH-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccnc1 ZINC000629544367 361423502 /nfs/dbraw/zinc/42/35/02/361423502.db2.gz KVYWRVKKQFDXIK-YUTCNCBUSA-N 2 2 233.359 2.263 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000629544754 361424414 /nfs/dbraw/zinc/42/44/14/361424414.db2.gz CGIZEZLLCHQYJL-NILFDRSVSA-N 2 2 230.355 2.404 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545155 361425399 /nfs/dbraw/zinc/42/53/99/361425399.db2.gz AHGLUWOEYSAKBY-UOVKNHIHSA-N 2 2 230.355 2.260 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000629545537 361426896 /nfs/dbraw/zinc/42/68/96/361426896.db2.gz LEYHPLLHRPXCIF-TYNCELHUSA-N 2 2 248.370 2.405 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(F)cc(F)c1 ZINC000629547101 361430981 /nfs/dbraw/zinc/43/09/81/361430981.db2.gz GFVDPHXGENNCNV-MWODSPESSA-N 2 2 240.297 2.366 20 0 BEADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553244 361437370 /nfs/dbraw/zinc/43/73/70/361437370.db2.gz RTTLAVODYPBBHH-RISCZKNCSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629553219 361438067 /nfs/dbraw/zinc/43/80/67/361438067.db2.gz PJDAQTPSNJZBSU-MISXGVKJSA-N 2 2 216.328 2.186 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)o1 ZINC000629549686 361441442 /nfs/dbraw/zinc/44/14/42/361441442.db2.gz YRRMOIULECVHPF-GBIKHYSHSA-N 2 2 222.332 2.297 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629549465 361441644 /nfs/dbraw/zinc/44/16/44/361441644.db2.gz WELHINHITINQJR-GARJFASQSA-N 2 2 224.373 2.458 20 0 BEADLP CC[N@H+](CC[NH3+])CCCOc1ccccc1C ZINC000629557189 361447330 /nfs/dbraw/zinc/44/73/30/361447330.db2.gz XFPKQZLUUCLNTK-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP CC[N@@H+](CC[NH3+])CCCOc1ccccc1C ZINC000629557189 361447335 /nfs/dbraw/zinc/44/73/35/361447335.db2.gz XFPKQZLUUCLNTK-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP CCc1cccc(C[N@H+](CC)CC[NH3+])c1 ZINC000629557717 361451344 /nfs/dbraw/zinc/45/13/44/361451344.db2.gz FDVPVKOBEQQTJY-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CCc1cccc(C[N@@H+](CC)CC[NH3+])c1 ZINC000629557717 361451350 /nfs/dbraw/zinc/45/13/50/361451350.db2.gz FDVPVKOBEQQTJY-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(COC)o1 ZINC000629647638 361537423 /nfs/dbraw/zinc/53/74/23/361537423.db2.gz CMZXJOYRZICTGG-NSHDSACASA-N 2 2 240.347 2.033 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)(C)C ZINC000152631156 201203356 /nfs/dbraw/zinc/20/33/56/201203356.db2.gz BMAFJSAEMNIDOF-SNVBAGLBSA-N 2 2 200.370 2.351 20 0 BEADLP C[NH2+]c1ccc(N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000629652873 361551271 /nfs/dbraw/zinc/55/12/71/361551271.db2.gz CFMKORAZODOYQO-GFCCVEGCSA-N 2 2 219.332 2.282 20 0 BEADLP CC[N@@H+](C/C=C\c1ccc(F)cc1F)CC[NH3+] ZINC000629650923 361554887 /nfs/dbraw/zinc/55/48/87/361554887.db2.gz AOTJKTMBAXBKSA-ARJAWSKDSA-N 2 2 240.297 2.259 20 0 BEADLP CC[N@H+](C/C=C\c1ccc(F)cc1F)CC[NH3+] ZINC000629650923 361554888 /nfs/dbraw/zinc/55/48/88/361554888.db2.gz AOTJKTMBAXBKSA-ARJAWSKDSA-N 2 2 240.297 2.259 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc2cnccc2c1 ZINC000629650947 361556095 /nfs/dbraw/zinc/55/60/95/361556095.db2.gz CNMZHCNEHKTXBH-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc2cnccc2c1 ZINC000629650947 361556096 /nfs/dbraw/zinc/55/60/96/361556096.db2.gz CNMZHCNEHKTXBH-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000629651867 361557470 /nfs/dbraw/zinc/55/74/70/361557470.db2.gz MJRXMGAHPIYTRQ-HUUCEWRRSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000629651867 361557471 /nfs/dbraw/zinc/55/74/71/361557471.db2.gz MJRXMGAHPIYTRQ-HUUCEWRRSA-N 2 2 247.386 2.132 20 0 BEADLP CCCc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000435369890 201264485 /nfs/dbraw/zinc/26/44/85/201264485.db2.gz GKWLQKPXYCIYQY-UHFFFAOYSA-N 2 2 232.371 2.434 20 0 BEADLP CCCc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000435369890 201264488 /nfs/dbraw/zinc/26/44/88/201264488.db2.gz GKWLQKPXYCIYQY-UHFFFAOYSA-N 2 2 232.371 2.434 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000435378525 201264778 /nfs/dbraw/zinc/26/47/78/201264778.db2.gz DTNQNZHTUYUBNC-LLVKDONJSA-N 2 2 248.370 2.179 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000435378525 201264780 /nfs/dbraw/zinc/26/47/80/201264780.db2.gz DTNQNZHTUYUBNC-LLVKDONJSA-N 2 2 248.370 2.179 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000310078156 491160043 /nfs/dbraw/zinc/16/00/43/491160043.db2.gz ZKJWEMWPTQHHSM-MGPQQGTHSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000310078156 491160044 /nfs/dbraw/zinc/16/00/44/491160044.db2.gz ZKJWEMWPTQHHSM-MGPQQGTHSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154598575 201285797 /nfs/dbraw/zinc/28/57/97/201285797.db2.gz JDIZORRKBUGLRP-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154598575 201285800 /nfs/dbraw/zinc/28/58/00/201285800.db2.gz JDIZORRKBUGLRP-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786396 201287432 /nfs/dbraw/zinc/28/74/32/201287432.db2.gz HXNHMPFYZBTMAT-TUUVXOQKSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786396 201287436 /nfs/dbraw/zinc/28/74/36/201287436.db2.gz HXNHMPFYZBTMAT-TUUVXOQKSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000154630717 201287829 /nfs/dbraw/zinc/28/78/29/201287829.db2.gz INXUPZBWZUDTNO-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000154630717 201287830 /nfs/dbraw/zinc/28/78/30/201287830.db2.gz INXUPZBWZUDTNO-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000310078147 491160004 /nfs/dbraw/zinc/16/00/04/491160004.db2.gz ZKJWEMWPTQHHSM-BFHYXJOUSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000310078147 491160005 /nfs/dbraw/zinc/16/00/05/491160005.db2.gz ZKJWEMWPTQHHSM-BFHYXJOUSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH2+]CCC[N@H+](Cc1ccccc1OC)C1CC1 ZINC000435874813 201291593 /nfs/dbraw/zinc/29/15/93/201291593.db2.gz OAPZDIRPXNBGRZ-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP C[NH2+]CCC[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000435874813 201291595 /nfs/dbraw/zinc/29/15/95/201291595.db2.gz OAPZDIRPXNBGRZ-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP Cc1[nH]cc(-c2ccc(CC[NH+](C)C)cc2)[nH+]1 ZINC000629731271 361670920 /nfs/dbraw/zinc/67/09/20/361670920.db2.gz HWLMLZJNAUKUBG-UHFFFAOYSA-N 2 2 229.327 2.489 20 0 BEADLP CC[C@@](C)([NH2+]CCC[NH2+]C)c1nc(C)cs1 ZINC000435885244 201296129 /nfs/dbraw/zinc/29/61/29/201296129.db2.gz HNPGMSDISHWGAO-GFCCVEGCSA-N 2 2 241.404 2.276 20 0 BEADLP C[NH2+]CCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000435885481 201296551 /nfs/dbraw/zinc/29/65/51/201296551.db2.gz KOTWWOFOZNKYKX-UHFFFAOYSA-N 2 2 241.404 2.194 20 0 BEADLP [NH3+]C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000145901086 181345321 /nfs/dbraw/zinc/34/53/21/181345321.db2.gz QSUFDWZJARJJON-UHFFFAOYSA-N 2 2 242.725 2.402 20 0 BEADLP [NH3+]C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000020521678 181345338 /nfs/dbraw/zinc/34/53/38/181345338.db2.gz XVVOBZWNYUWODU-UHFFFAOYSA-N 2 2 230.764 2.325 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CC[C@@H]3CCOC3)CC2)[nH]1 ZINC000437683699 201365372 /nfs/dbraw/zinc/36/53/72/201365372.db2.gz BBCHSQVKTADDCA-GFCCVEGCSA-N 2 2 249.358 2.016 20 0 BEADLP CC[C@@H](C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000093074761 541346683 /nfs/dbraw/zinc/34/66/83/541346683.db2.gz IQLDSCKITIOBGH-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000093074761 541346689 /nfs/dbraw/zinc/34/66/89/541346689.db2.gz IQLDSCKITIOBGH-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000398967899 364377173 /nfs/dbraw/zinc/37/71/73/364377173.db2.gz SNFRJFZMPVVKPN-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000181593572 366829195 /nfs/dbraw/zinc/82/91/95/366829195.db2.gz XCNWMQFFKQAAIT-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000181593572 366829196 /nfs/dbraw/zinc/82/91/96/366829196.db2.gz XCNWMQFFKQAAIT-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734138 364729007 /nfs/dbraw/zinc/72/90/07/364729007.db2.gz BWPCLNADPVOUQZ-GWCFXTLKSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734138 364729008 /nfs/dbraw/zinc/72/90/08/364729008.db2.gz BWPCLNADPVOUQZ-GWCFXTLKSA-N 2 2 220.360 2.001 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2CCCC2)n1C ZINC000573506038 364851194 /nfs/dbraw/zinc/85/11/94/364851194.db2.gz JFCJSGLTTSTFGT-JTQLQIEISA-N 2 2 221.348 2.397 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cncs1 ZINC000573530071 364855292 /nfs/dbraw/zinc/85/52/92/364855292.db2.gz QPTRFJOIXBEKNR-BDAKNGLRSA-N 2 2 248.355 2.074 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cncs1 ZINC000573530071 364855295 /nfs/dbraw/zinc/85/52/95/364855295.db2.gz QPTRFJOIXBEKNR-BDAKNGLRSA-N 2 2 248.355 2.074 20 0 BEADLP Cc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299916061 364821194 /nfs/dbraw/zinc/82/11/94/364821194.db2.gz GYVWRSAUAIZUCT-DZGCQCFKSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299916061 364821199 /nfs/dbraw/zinc/82/11/99/364821199.db2.gz GYVWRSAUAIZUCT-DZGCQCFKSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1C ZINC000299923785 364823250 /nfs/dbraw/zinc/82/32/50/364823250.db2.gz XMMOKPJGQSVTNL-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1C ZINC000299923785 364823257 /nfs/dbraw/zinc/82/32/57/364823257.db2.gz XMMOKPJGQSVTNL-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000234827279 541389473 /nfs/dbraw/zinc/38/94/73/541389473.db2.gz BMKAVKMCJKZCNH-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000234827279 541389478 /nfs/dbraw/zinc/38/94/78/541389478.db2.gz BMKAVKMCJKZCNH-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097930836 541393891 /nfs/dbraw/zinc/39/38/91/541393891.db2.gz ZSWSDHJISKJXAJ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2ccsc21 ZINC000443447074 193020339 /nfs/dbraw/zinc/02/03/39/193020339.db2.gz VROQCYNZAUKKOV-JTQLQIEISA-N 2 2 247.367 2.437 20 0 BEADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccsc21 ZINC000443447074 193020342 /nfs/dbraw/zinc/02/03/42/193020342.db2.gz VROQCYNZAUKKOV-JTQLQIEISA-N 2 2 247.367 2.437 20 0 BEADLP CCCc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000057521267 1172332858 /nfs/dbraw/zinc/33/28/58/1172332858.db2.gz UMBAGAUDCHJATM-UHFFFAOYSA-N 2 2 232.371 2.434 20 0 BEADLP CCCc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000057521267 1172332864 /nfs/dbraw/zinc/33/28/64/1172332864.db2.gz UMBAGAUDCHJATM-UHFFFAOYSA-N 2 2 232.371 2.434 20 0 BEADLP C[C@@H]1[C@@H](C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575326297 365290600 /nfs/dbraw/zinc/29/06/00/365290600.db2.gz MVFQBISIAAEAIZ-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1[C@@H](C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000575326297 365290603 /nfs/dbraw/zinc/29/06/03/365290603.db2.gz MVFQBISIAAEAIZ-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CC[C@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000182851117 366950040 /nfs/dbraw/zinc/95/00/40/366950040.db2.gz WENYGSTZRAILHS-RYUDHWBXSA-N 2 2 207.321 2.146 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[C@H]1C1CC1)C2 ZINC000353605886 541483667 /nfs/dbraw/zinc/48/36/67/541483667.db2.gz CJUPWIAIZQFART-WOPDTQHZSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)CC2 ZINC000353605886 541483671 /nfs/dbraw/zinc/48/36/71/541483671.db2.gz CJUPWIAIZQFART-WOPDTQHZSA-N 2 2 231.343 2.045 20 0 BEADLP COc1ccc[nH+]c1NC1CC[NH+](C(C)C)CC1 ZINC000387369527 541517160 /nfs/dbraw/zinc/51/71/60/541517160.db2.gz FQZSCSZMNUTHTB-UHFFFAOYSA-N 2 2 249.358 2.375 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000381436333 367403087 /nfs/dbraw/zinc/40/30/87/367403087.db2.gz CSHTUIZTHDCYNN-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000381436333 367403091 /nfs/dbraw/zinc/40/30/91/367403091.db2.gz CSHTUIZTHDCYNN-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000381460710 367408935 /nfs/dbraw/zinc/40/89/35/367408935.db2.gz KXOWYZCELDWCJU-NQBHXWOUSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000381460710 367408939 /nfs/dbraw/zinc/40/89/39/367408939.db2.gz KXOWYZCELDWCJU-NQBHXWOUSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000381515216 367423097 /nfs/dbraw/zinc/42/30/97/367423097.db2.gz PTPCWTRNGQVYMI-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000381515216 367423102 /nfs/dbraw/zinc/42/31/02/367423102.db2.gz PTPCWTRNGQVYMI-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381515208 367423668 /nfs/dbraw/zinc/42/36/68/367423668.db2.gz PTPCWTRNGQVYMI-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381515208 367423674 /nfs/dbraw/zinc/42/36/74/367423674.db2.gz PTPCWTRNGQVYMI-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000381803404 367459311 /nfs/dbraw/zinc/45/93/11/367459311.db2.gz DYHWMXODDLTLPM-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000381803404 367459314 /nfs/dbraw/zinc/45/93/14/367459314.db2.gz DYHWMXODDLTLPM-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000383028572 367589263 /nfs/dbraw/zinc/58/92/63/367589263.db2.gz ZNRXSRYAGMLBTE-ZHMISCPASA-N 2 2 230.355 2.384 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000383028572 367589265 /nfs/dbraw/zinc/58/92/65/367589265.db2.gz ZNRXSRYAGMLBTE-ZHMISCPASA-N 2 2 230.355 2.384 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383105446 367596511 /nfs/dbraw/zinc/59/65/11/367596511.db2.gz GOFWICIXYNHMEU-MWLCHTKSSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383105446 367596516 /nfs/dbraw/zinc/59/65/16/367596516.db2.gz GOFWICIXYNHMEU-MWLCHTKSSA-N 2 2 244.329 2.247 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000383348994 367615688 /nfs/dbraw/zinc/61/56/88/367615688.db2.gz UJBVGVLIMSZVJQ-ILXRZTDVSA-N 2 2 236.403 2.497 20 0 BEADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384513642 367694799 /nfs/dbraw/zinc/69/47/99/367694799.db2.gz UVXAGLZZMRMLTH-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384513642 367694803 /nfs/dbraw/zinc/69/48/03/367694803.db2.gz UVXAGLZZMRMLTH-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384513640 367695636 /nfs/dbraw/zinc/69/56/36/367695636.db2.gz UVXAGLZZMRMLTH-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384513640 367695641 /nfs/dbraw/zinc/69/56/41/367695641.db2.gz UVXAGLZZMRMLTH-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000384776084 367730239 /nfs/dbraw/zinc/73/02/39/367730239.db2.gz PQLUISUFJJGXMQ-QWRGUYRKSA-N 2 2 200.370 2.351 20 0 BEADLP C[N@H+](Cc1cc(F)ccc1Cl)C1CC([NH3+])C1 ZINC000384937743 367761401 /nfs/dbraw/zinc/76/14/01/367761401.db2.gz DPSIBOWQUOKJQR-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP C[N@@H+](Cc1cc(F)ccc1Cl)C1CC([NH3+])C1 ZINC000384937743 367761407 /nfs/dbraw/zinc/76/14/07/367761407.db2.gz DPSIBOWQUOKJQR-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP COc1ccc(C)cc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385306154 367818200 /nfs/dbraw/zinc/81/82/00/367818200.db2.gz KTBQVWGKNQXXNQ-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C)cc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385306154 367818201 /nfs/dbraw/zinc/81/82/01/367818201.db2.gz KTBQVWGKNQXXNQ-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP CSCC1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000385471295 367832861 /nfs/dbraw/zinc/83/28/61/367832861.db2.gz XZIXCIHLRYULSR-HIFPTAJRSA-N 2 2 244.448 2.448 20 0 BEADLP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000386051259 367905278 /nfs/dbraw/zinc/90/52/78/367905278.db2.gz VMJUQSFSIOPWEF-SMDDNHRTSA-N 2 2 236.334 2.446 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399230134 367907232 /nfs/dbraw/zinc/90/72/32/367907232.db2.gz OXJOXILHQWHIMA-SGMGOOAPSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH2+]CCOc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000386556826 367991075 /nfs/dbraw/zinc/99/10/75/367991075.db2.gz ICVGPAVCDVICOV-DZGCQCFKSA-N 2 2 248.370 2.186 20 0 BEADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000386574390 367993900 /nfs/dbraw/zinc/99/39/00/367993900.db2.gz MSFRLZLXYHJVEH-DOMZBBRYSA-N 2 2 248.370 2.315 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399255600 368047633 /nfs/dbraw/zinc/04/76/33/368047633.db2.gz ZQJDICKKVOCVQD-SGMGOOAPSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252799309 368095609 /nfs/dbraw/zinc/09/56/09/368095609.db2.gz RQBLVYRCKTVKHE-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000108369193 368573377 /nfs/dbraw/zinc/57/33/77/368573377.db2.gz WEQZSNKZBWGHTD-UHFFFAOYSA-N 2 2 233.359 2.044 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1F ZINC000113522163 368894264 /nfs/dbraw/zinc/89/42/64/368894264.db2.gz WDZOPMSMXXXIFP-BXKDBHETSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1F ZINC000113522163 368894271 /nfs/dbraw/zinc/89/42/71/368894271.db2.gz WDZOPMSMXXXIFP-BXKDBHETSA-N 2 2 240.297 2.276 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000631834856 369041127 /nfs/dbraw/zinc/04/11/27/369041127.db2.gz HDULDWJHYFQVSX-XJFOESAGSA-N 2 2 222.376 2.236 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000631834856 369041131 /nfs/dbraw/zinc/04/11/31/369041131.db2.gz HDULDWJHYFQVSX-XJFOESAGSA-N 2 2 222.376 2.236 20 0 BEADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@H]21 ZINC000459407675 203275641 /nfs/dbraw/zinc/27/56/41/203275641.db2.gz LJPRLUFJWAKUPR-VHDGCEQUSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@@H]2CCCC[C@H]21 ZINC000459407675 203275645 /nfs/dbraw/zinc/27/56/45/203275645.db2.gz LJPRLUFJWAKUPR-VHDGCEQUSA-N 2 2 247.386 2.473 20 0 BEADLP CC(C)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459336780 203261977 /nfs/dbraw/zinc/26/19/77/203261977.db2.gz IHDLOLRLNCIXTL-UHFFFAOYSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672725 203332022 /nfs/dbraw/zinc/33/20/22/203332022.db2.gz YBRLLBIYXNNFPY-UONOGXRCSA-N 2 2 235.375 2.377 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000459635008 203325378 /nfs/dbraw/zinc/32/53/78/203325378.db2.gz OYACIHTZYCIRGL-GASCZTMLSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631858542 369442807 /nfs/dbraw/zinc/44/28/07/369442807.db2.gz AAOUMPGBFZSKHA-KBPBESRZSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631858542 369442814 /nfs/dbraw/zinc/44/28/14/369442814.db2.gz AAOUMPGBFZSKHA-KBPBESRZSA-N 2 2 248.370 2.185 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000459651977 203331240 /nfs/dbraw/zinc/33/12/40/203331240.db2.gz BFBJXJNRTMALDN-ZIAGYGMSSA-N 2 2 233.359 2.131 20 0 BEADLP c1[nH]c(C[NH2+]C2(C3CCC3)CCC2)c[nH+]1 ZINC000459763199 203361378 /nfs/dbraw/zinc/36/13/78/203361378.db2.gz YJFLCAXKJSGWRM-UHFFFAOYSA-N 2 2 205.305 2.222 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459804940 203372850 /nfs/dbraw/zinc/37/28/50/203372850.db2.gz PGDHNWIIPYHEJS-NEPJUHHUSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1F ZINC000110976519 370014462 /nfs/dbraw/zinc/01/44/62/370014462.db2.gz PLCFUHUOQWGIGL-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1F ZINC000110976519 370014463 /nfs/dbraw/zinc/01/44/63/370014463.db2.gz PLCFUHUOQWGIGL-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP CC1=CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000309764260 370256995 /nfs/dbraw/zinc/25/69/95/370256995.db2.gz JHGJZBGDKPPGHU-CYBMUJFWSA-N 2 2 219.332 2.362 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734500 370486612 /nfs/dbraw/zinc/48/66/12/370486612.db2.gz OMRUREWSBBFERY-JFGNBEQYSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734500 370486617 /nfs/dbraw/zinc/48/66/17/370486617.db2.gz OMRUREWSBBFERY-JFGNBEQYSA-N 2 2 244.329 2.104 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccn1 ZINC000621773963 370519006 /nfs/dbraw/zinc/51/90/06/370519006.db2.gz HDOABOUUNYZBDA-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccn1 ZINC000621773963 370519010 /nfs/dbraw/zinc/51/90/10/370519010.db2.gz HDOABOUUNYZBDA-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000621778873 370526934 /nfs/dbraw/zinc/52/69/34/370526934.db2.gz WHEQWXQFLXNTGV-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000621778873 370526937 /nfs/dbraw/zinc/52/69/37/370526937.db2.gz WHEQWXQFLXNTGV-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000621778161 370527937 /nfs/dbraw/zinc/52/79/37/370527937.db2.gz LKVQFNHWZYKXRF-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000621778161 370527941 /nfs/dbraw/zinc/52/79/41/370527941.db2.gz LKVQFNHWZYKXRF-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP CSCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000124992381 371268961 /nfs/dbraw/zinc/26/89/61/371268961.db2.gz MCVBTVYWTGNZPN-UHFFFAOYSA-N 2 2 235.356 2.095 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000624101707 371307647 /nfs/dbraw/zinc/30/76/47/371307647.db2.gz WYEIWLSRMYLTKX-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000624101707 371307653 /nfs/dbraw/zinc/30/76/53/371307653.db2.gz WYEIWLSRMYLTKX-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000624101465 371308036 /nfs/dbraw/zinc/30/80/36/371308036.db2.gz HLRSQKWFUNCBST-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000624101465 371308040 /nfs/dbraw/zinc/30/80/40/371308040.db2.gz HLRSQKWFUNCBST-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C(F)F ZINC000624101791 371308182 /nfs/dbraw/zinc/30/81/82/371308182.db2.gz AIAWOFHSSRWEJB-VHSXEESVSA-N 2 2 234.334 2.350 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C(F)F ZINC000624101791 371308183 /nfs/dbraw/zinc/30/81/83/371308183.db2.gz AIAWOFHSSRWEJB-VHSXEESVSA-N 2 2 234.334 2.350 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188770 371378519 /nfs/dbraw/zinc/37/85/19/371378519.db2.gz BRSQIFMEAYGXPF-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188770 371378522 /nfs/dbraw/zinc/37/85/22/371378522.db2.gz BRSQIFMEAYGXPF-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000624272040 371449145 /nfs/dbraw/zinc/44/91/45/371449145.db2.gz UCHWTRYTWONBSI-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000624272040 371449155 /nfs/dbraw/zinc/44/91/55/371449155.db2.gz UCHWTRYTWONBSI-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000624271938 371452817 /nfs/dbraw/zinc/45/28/17/371452817.db2.gz NCCYXICJDSOUHR-MJBXVCDLSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000624271938 371452821 /nfs/dbraw/zinc/45/28/21/371452821.db2.gz NCCYXICJDSOUHR-MJBXVCDLSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226705851 371727304 /nfs/dbraw/zinc/72/73/04/371727304.db2.gz ZCBXTTOLDSAPRQ-CHWSQXEVSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226705851 371727309 /nfs/dbraw/zinc/72/73/09/371727309.db2.gz ZCBXTTOLDSAPRQ-CHWSQXEVSA-N 2 2 208.349 2.027 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000228294951 372014020 /nfs/dbraw/zinc/01/40/20/372014020.db2.gz LHHNIGNUTDOLGM-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000228294951 372014022 /nfs/dbraw/zinc/01/40/22/372014022.db2.gz LHHNIGNUTDOLGM-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP CSCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000164410969 372148485 /nfs/dbraw/zinc/14/84/85/372148485.db2.gz MGPXCCSRDFQMOC-UHFFFAOYSA-N 2 2 235.356 2.095 20 0 BEADLP C[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)C(C)(C)C ZINC000685458572 487528065 /nfs/dbraw/zinc/52/80/65/487528065.db2.gz QTIXVZGXQKLYRV-LBPRGKRZSA-N 2 2 224.392 2.449 20 0 BEADLP C[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)C(C)(C)C ZINC000685458572 487528070 /nfs/dbraw/zinc/52/80/70/487528070.db2.gz QTIXVZGXQKLYRV-LBPRGKRZSA-N 2 2 224.392 2.449 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631571560 372431128 /nfs/dbraw/zinc/43/11/28/372431128.db2.gz GBAQDQWDGLNWJU-DOMZBBRYSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631571560 372431136 /nfs/dbraw/zinc/43/11/36/372431136.db2.gz GBAQDQWDGLNWJU-DOMZBBRYSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631572700 372432631 /nfs/dbraw/zinc/43/26/31/372432631.db2.gz DQORZDSKWZBLBZ-IUODEOHRSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631572700 372432635 /nfs/dbraw/zinc/43/26/35/372432635.db2.gz DQORZDSKWZBLBZ-IUODEOHRSA-N 2 2 245.370 2.143 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1C ZINC000631755019 372558529 /nfs/dbraw/zinc/55/85/29/372558529.db2.gz WNCYZXNHPJNQRY-SGIHWFKDSA-N 2 2 236.281 2.010 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000631755019 372558537 /nfs/dbraw/zinc/55/85/37/372558537.db2.gz WNCYZXNHPJNQRY-SGIHWFKDSA-N 2 2 236.281 2.010 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834907 372620446 /nfs/dbraw/zinc/62/04/46/372620446.db2.gz HZLAWQHHKAOEEA-ZDUSSCGKSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834907 372620450 /nfs/dbraw/zinc/62/04/50/372620450.db2.gz HZLAWQHHKAOEEA-ZDUSSCGKSA-N 2 2 233.359 2.093 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860141 372659249 /nfs/dbraw/zinc/65/92/49/372659249.db2.gz UZQSSTADANRWNG-RFGFWPKPSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860141 372659258 /nfs/dbraw/zinc/65/92/58/372659258.db2.gz UZQSSTADANRWNG-RFGFWPKPSA-N 2 2 240.391 2.003 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631858400 372656604 /nfs/dbraw/zinc/65/66/04/372656604.db2.gz YESZEWQYWWEUBY-PWSUYJOCSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000631858400 372656610 /nfs/dbraw/zinc/65/66/10/372656610.db2.gz YESZEWQYWWEUBY-PWSUYJOCSA-N 2 2 236.384 2.330 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861300 372662003 /nfs/dbraw/zinc/66/20/03/372662003.db2.gz YVYCTCHRMKETQZ-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861300 372662005 /nfs/dbraw/zinc/66/20/05/372662005.db2.gz YVYCTCHRMKETQZ-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c(C)c1 ZINC000631863370 372666684 /nfs/dbraw/zinc/66/66/84/372666684.db2.gz ZQCDIEMGBPORTE-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c(C)c1 ZINC000631863370 372666689 /nfs/dbraw/zinc/66/66/89/372666689.db2.gz ZQCDIEMGBPORTE-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671693 373589111 /nfs/dbraw/zinc/58/91/11/373589111.db2.gz LERZHIZEIKSAHH-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671693 373589116 /nfs/dbraw/zinc/58/91/16/373589116.db2.gz LERZHIZEIKSAHH-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cncc(F)c1 ZINC000424379699 206039185 /nfs/dbraw/zinc/03/91/85/206039185.db2.gz VYLDTNNSZMSGSH-OASPWFOLSA-N 2 2 237.322 2.141 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178384436 134309066 /nfs/dbraw/zinc/30/90/66/134309066.db2.gz CDTLKFXDYLJFOG-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178384436 134309067 /nfs/dbraw/zinc/30/90/67/134309067.db2.gz CDTLKFXDYLJFOG-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000360044653 169004226 /nfs/dbraw/zinc/00/42/26/169004226.db2.gz GXJKXCBDHCRSHD-CHWSQXEVSA-N 2 2 239.363 2.066 20 0 BEADLP CCC[N@H+](CCn1cc[nH+]c1)CC(C)C ZINC000270838905 169171710 /nfs/dbraw/zinc/17/17/10/169171710.db2.gz NEKJOGISJUZVKH-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP CCC[N@@H+](CCn1cc[nH+]c1)CC(C)C ZINC000270838905 169171711 /nfs/dbraw/zinc/17/17/11/169171711.db2.gz NEKJOGISJUZVKH-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996707 183291638 /nfs/dbraw/zinc/29/16/38/183291638.db2.gz NODDYNNHDJWLEY-LSDHHAIUSA-N 2 2 246.354 2.109 20 0 BEADLP Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996707 183291639 /nfs/dbraw/zinc/29/16/39/183291639.db2.gz NODDYNNHDJWLEY-LSDHHAIUSA-N 2 2 246.354 2.109 20 0 BEADLP CCC[N@H+](CCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071331877 169168834 /nfs/dbraw/zinc/16/88/34/169168834.db2.gz LFZWVHWNANZKRE-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP CCC[N@@H+](CCOc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071331877 169168835 /nfs/dbraw/zinc/16/88/35/169168835.db2.gz LFZWVHWNANZKRE-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP CCC[NH+]1CCC([N@H+](C)Cc2cccn2C)CC1 ZINC000092165915 169187274 /nfs/dbraw/zinc/18/72/74/169187274.db2.gz OZAUCSICMXHMLO-UHFFFAOYSA-N 2 2 249.402 2.331 20 0 BEADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccn2C)CC1 ZINC000092165915 169187276 /nfs/dbraw/zinc/18/72/76/169187276.db2.gz OZAUCSICMXHMLO-UHFFFAOYSA-N 2 2 249.402 2.331 20 0 BEADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccn2)CC1 ZINC000119604423 169187600 /nfs/dbraw/zinc/18/76/00/169187600.db2.gz NSBUUWMFWBRMRR-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccn2)CC1 ZINC000119604423 169187602 /nfs/dbraw/zinc/18/76/02/169187602.db2.gz NSBUUWMFWBRMRR-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP c1c[nH+]c(C2CC[NH+](Cc3cscn3)CC2)[nH]1 ZINC000266730376 183322572 /nfs/dbraw/zinc/32/25/72/183322572.db2.gz JHXABMWWCIKQPJ-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000336777921 169196164 /nfs/dbraw/zinc/19/61/64/169196164.db2.gz JWKUBFQYLJHNOZ-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000336777921 169196166 /nfs/dbraw/zinc/19/61/66/169196166.db2.gz JWKUBFQYLJHNOZ-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340398000 169196649 /nfs/dbraw/zinc/19/66/49/169196649.db2.gz WZKVWRTXSVSZEI-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340398000 169196650 /nfs/dbraw/zinc/19/66/50/169196650.db2.gz WZKVWRTXSVSZEI-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340398450 169199937 /nfs/dbraw/zinc/19/99/37/169199937.db2.gz WZKVWRTXSVSZEI-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340398450 169199938 /nfs/dbraw/zinc/19/99/38/169199938.db2.gz WZKVWRTXSVSZEI-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000309925920 169199966 /nfs/dbraw/zinc/19/99/66/169199966.db2.gz VHTCTJINNNVAIB-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000309925920 169199968 /nfs/dbraw/zinc/19/99/68/169199968.db2.gz VHTCTJINNNVAIB-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP c1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)ccn1 ZINC000341497953 183339377 /nfs/dbraw/zinc/33/93/77/183339377.db2.gz JZNUQRMMVWAZJK-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156434070 169207617 /nfs/dbraw/zinc/20/76/17/169207617.db2.gz ZCDDWTMMFFIMPY-NWDGAFQWSA-N 2 2 207.321 2.176 20 0 BEADLP CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156434070 169207619 /nfs/dbraw/zinc/20/76/19/169207619.db2.gz ZCDDWTMMFFIMPY-NWDGAFQWSA-N 2 2 207.321 2.176 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)s1 ZINC000050226794 169259139 /nfs/dbraw/zinc/25/91/39/169259139.db2.gz RMHQMNRTIBWMOK-UHFFFAOYSA-N 2 2 212.362 2.146 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000061360351 183373052 /nfs/dbraw/zinc/37/30/52/183373052.db2.gz GELWWHGAVJLJEX-JQWIXIFHSA-N 2 2 236.384 2.467 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128262077 183391811 /nfs/dbraw/zinc/39/18/11/183391811.db2.gz UHZYAYRROQZMHD-CVEARBPZSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128262077 183391813 /nfs/dbraw/zinc/39/18/13/183391813.db2.gz UHZYAYRROQZMHD-CVEARBPZSA-N 2 2 244.382 2.446 20 0 BEADLP CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034652125 169266555 /nfs/dbraw/zinc/26/65/55/169266555.db2.gz UEYABLNJXCFRKL-UHFFFAOYSA-N 2 2 215.300 2.372 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]1 ZINC000266919879 183399552 /nfs/dbraw/zinc/39/95/52/183399552.db2.gz LLVVMNAFDUCVCH-LBPRGKRZSA-N 2 2 242.326 2.184 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]1 ZINC000266919879 183399554 /nfs/dbraw/zinc/39/95/54/183399554.db2.gz LLVVMNAFDUCVCH-LBPRGKRZSA-N 2 2 242.326 2.184 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000041166568 169325528 /nfs/dbraw/zinc/32/55/28/169325528.db2.gz ZUIHOHINLSSNKK-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CCCOc1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000041166568 169325529 /nfs/dbraw/zinc/32/55/29/169325529.db2.gz ZUIHOHINLSSNKK-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375268244 169370901 /nfs/dbraw/zinc/37/09/01/169370901.db2.gz LYHQSRCZGICDBQ-LLVKDONJSA-N 2 2 221.348 2.498 20 0 BEADLP c1cn(-c2ccc(C3=CC[NH2+]CC3)cc2)c[nH+]1 ZINC000059589053 1172551268 /nfs/dbraw/zinc/55/12/68/1172551268.db2.gz PLHZFFIVDOIVSS-UHFFFAOYSA-N 2 2 225.295 2.249 20 0 BEADLP c1cn(CCC[N@@H+]2CCC3(CCC3)C2)c[nH+]1 ZINC000182851418 134348933 /nfs/dbraw/zinc/34/89/33/134348933.db2.gz UZMXXEWLGJXFLS-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP c1cn(CCC[N@H+]2CCC3(CCC3)C2)c[nH+]1 ZINC000182851418 134348934 /nfs/dbraw/zinc/34/89/34/134348934.db2.gz UZMXXEWLGJXFLS-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP CC(C)[NH2+][C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000224605235 134349520 /nfs/dbraw/zinc/34/95/20/134349520.db2.gz LTYUNISUPAWHFR-UPJWGTAASA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000226587325 134367306 /nfs/dbraw/zinc/36/73/06/134367306.db2.gz QGHHQRVHDATIHB-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000227375813 134378983 /nfs/dbraw/zinc/37/89/83/134378983.db2.gz NMMNSGLTHDBTEE-QWRGUYRKSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000227375813 134378984 /nfs/dbraw/zinc/37/89/84/134378984.db2.gz NMMNSGLTHDBTEE-QWRGUYRKSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252712 383922971 /nfs/dbraw/zinc/92/29/71/383922971.db2.gz PEIGWRATHGNDPO-XVSSEFHLSA-N 2 2 228.355 2.054 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252712 383922977 /nfs/dbraw/zinc/92/29/77/383922977.db2.gz PEIGWRATHGNDPO-XVSSEFHLSA-N 2 2 228.355 2.054 20 0 BEADLP c1ccc(N2CCC([NH2+]CCC3CC3)CC2)[nH+]c1 ZINC000088455084 383903007 /nfs/dbraw/zinc/90/30/07/383903007.db2.gz URRCXHNCFAETFW-UHFFFAOYSA-N 2 2 245.370 2.440 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560113870 383905310 /nfs/dbraw/zinc/90/53/10/383905310.db2.gz NJXFTOUGEBYKGT-AGGWBTHJSA-N 2 2 248.370 2.478 20 0 BEADLP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000070600421 383938121 /nfs/dbraw/zinc/93/81/21/383938121.db2.gz OIGIUXFDTQGUFF-MRVPVSSYSA-N 2 2 230.764 2.243 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000070613928 383939360 /nfs/dbraw/zinc/93/93/60/383939360.db2.gz HCEAXXVEHLFYRP-GFCCVEGCSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000070613928 383939365 /nfs/dbraw/zinc/93/93/65/383939365.db2.gz HCEAXXVEHLFYRP-GFCCVEGCSA-N 2 2 212.381 2.482 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[NH2+]CC2)c(C)s1 ZINC000049687869 384013932 /nfs/dbraw/zinc/01/39/32/384013932.db2.gz CAMPMWLQPKUOFH-UHFFFAOYSA-N 2 2 224.373 2.160 20 0 BEADLP Cc1cc(C[N@H+]2CCC[NH2+]CC2)c(C)s1 ZINC000049687869 384013942 /nfs/dbraw/zinc/01/39/42/384013942.db2.gz CAMPMWLQPKUOFH-UHFFFAOYSA-N 2 2 224.373 2.160 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC000309454591 384086491 /nfs/dbraw/zinc/08/64/91/384086491.db2.gz NKFJKMURCJMSTG-WDEREUQCSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nccs1 ZINC000309454591 384086500 /nfs/dbraw/zinc/08/65/00/384086500.db2.gz NKFJKMURCJMSTG-WDEREUQCSA-N 2 2 239.388 2.278 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1CC1 ZINC000090846967 384061696 /nfs/dbraw/zinc/06/16/96/384061696.db2.gz BEIAOFJZJIIENW-LLVKDONJSA-N 2 2 204.317 2.321 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000163178726 384065920 /nfs/dbraw/zinc/06/59/20/384065920.db2.gz QQKRNXZNTYMRFW-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000163178726 384065925 /nfs/dbraw/zinc/06/59/25/384065925.db2.gz QQKRNXZNTYMRFW-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884871 384101334 /nfs/dbraw/zinc/10/13/34/384101334.db2.gz AGKAEZZMUCJZLN-BYNSBNAKSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884871 384101338 /nfs/dbraw/zinc/10/13/38/384101338.db2.gz AGKAEZZMUCJZLN-BYNSBNAKSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nccs1 ZINC000070733339 384133715 /nfs/dbraw/zinc/13/37/15/384133715.db2.gz OQJJCPOJIUWJLM-SNVBAGLBSA-N 2 2 236.344 2.081 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCSCC1 ZINC000187065029 384175957 /nfs/dbraw/zinc/17/59/57/384175957.db2.gz NLAAQEJJGCGQLY-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCSCC1 ZINC000187065029 384175960 /nfs/dbraw/zinc/17/59/60/384175960.db2.gz NLAAQEJJGCGQLY-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042781830 384167945 /nfs/dbraw/zinc/16/79/45/384167945.db2.gz UYVBZSVVHNIBGP-BDAKNGLRSA-N 2 2 210.346 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000042781830 384167946 /nfs/dbraw/zinc/16/79/46/384167946.db2.gz UYVBZSVVHNIBGP-BDAKNGLRSA-N 2 2 210.346 2.014 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227713 384169711 /nfs/dbraw/zinc/16/97/11/384169711.db2.gz CZQXXFJWHSPESL-QWHCGFSZSA-N 2 2 222.307 2.310 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227713 384169719 /nfs/dbraw/zinc/16/97/19/384169719.db2.gz CZQXXFJWHSPESL-QWHCGFSZSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000132385394 384185324 /nfs/dbraw/zinc/18/53/24/384185324.db2.gz QMTNPYHILPDMPL-GHMZBOCLSA-N 2 2 207.321 2.050 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081623064 384196399 /nfs/dbraw/zinc/19/63/99/384196399.db2.gz LYEZNZHMHGQMAL-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP C(C1CCC1)[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000173620885 384241412 /nfs/dbraw/zinc/24/14/12/384241412.db2.gz JEIWIGOERIEYFD-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCC1)[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000173620885 384241416 /nfs/dbraw/zinc/24/14/16/384241416.db2.gz JEIWIGOERIEYFD-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CC[NH3+])cc1C ZINC000082594071 384240704 /nfs/dbraw/zinc/24/07/04/384240704.db2.gz AGRGOALECQEEGH-UHFFFAOYSA-N 2 2 206.333 2.002 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CC[NH3+])cc1C ZINC000082594071 384240706 /nfs/dbraw/zinc/24/07/06/384240706.db2.gz AGRGOALECQEEGH-UHFFFAOYSA-N 2 2 206.333 2.002 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)CC(F)F ZINC000647317940 384245082 /nfs/dbraw/zinc/24/50/82/384245082.db2.gz AHOOGNITXWKRLY-UMNHJUIQSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)CC(F)F ZINC000647317940 384245088 /nfs/dbraw/zinc/24/50/88/384245088.db2.gz AHOOGNITXWKRLY-UMNHJUIQSA-N 2 2 246.345 2.350 20 0 BEADLP Cc1ccsc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000163684549 384247598 /nfs/dbraw/zinc/24/75/98/384247598.db2.gz YNGCMOHJZUOENC-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP Cc1ccsc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000163684549 384247605 /nfs/dbraw/zinc/24/76/05/384247605.db2.gz YNGCMOHJZUOENC-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP Cc1sccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313305759 384247865 /nfs/dbraw/zinc/24/78/65/384247865.db2.gz RYMXNMQWMPLFML-UHFFFAOYSA-N 2 2 235.356 2.122 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1C ZINC000093644761 384253179 /nfs/dbraw/zinc/25/31/79/384253179.db2.gz XOWUZAYHCKPZIB-TZMCWYRMSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000093644761 384253182 /nfs/dbraw/zinc/25/31/82/384253182.db2.gz XOWUZAYHCKPZIB-TZMCWYRMSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644761 384253187 /nfs/dbraw/zinc/25/31/87/384253187.db2.gz XOWUZAYHCKPZIB-TZMCWYRMSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644761 384253192 /nfs/dbraw/zinc/25/31/92/384253192.db2.gz XOWUZAYHCKPZIB-TZMCWYRMSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000235516152 384258407 /nfs/dbraw/zinc/25/84/07/384258407.db2.gz DHPRGVVCQDGMFA-GXFFZTMASA-N 2 2 222.307 2.228 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000235530801 384264283 /nfs/dbraw/zinc/26/42/83/384264283.db2.gz ARICLCQGZDSLTI-GWCFXTLKSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000083055772 384278184 /nfs/dbraw/zinc/27/81/84/384278184.db2.gz OXDBKLQXAUZEOO-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000083055772 384278192 /nfs/dbraw/zinc/27/81/92/384278192.db2.gz OXDBKLQXAUZEOO-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000082858860 384271532 /nfs/dbraw/zinc/27/15/32/384271532.db2.gz GVBPGJOLYWIRMD-YVECIDJPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000083064905 384282282 /nfs/dbraw/zinc/28/22/82/384282282.db2.gz AGCISERRSLJHMD-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000083064905 384282286 /nfs/dbraw/zinc/28/22/86/384282286.db2.gz AGCISERRSLJHMD-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452066 384290053 /nfs/dbraw/zinc/29/00/53/384290053.db2.gz YBAOVLXDFOTWGT-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CCC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452066 384290059 /nfs/dbraw/zinc/29/00/59/384290059.db2.gz YBAOVLXDFOTWGT-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000228858503 384347033 /nfs/dbraw/zinc/34/70/33/384347033.db2.gz NTCFQVBYDDXMOJ-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cn1 ZINC000228858503 384347038 /nfs/dbraw/zinc/34/70/38/384347038.db2.gz NTCFQVBYDDXMOJ-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC(F)F ZINC000647225866 384373925 /nfs/dbraw/zinc/37/39/25/384373925.db2.gz GOWQIHIDASLHKR-DCAQKATOSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)CC(F)F ZINC000647225866 384373931 /nfs/dbraw/zinc/37/39/31/384373931.db2.gz GOWQIHIDASLHKR-DCAQKATOSA-N 2 2 246.345 2.493 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)C(C)C ZINC000120425000 384351787 /nfs/dbraw/zinc/35/17/87/384351787.db2.gz ABYXHOOUPCDMAH-GFCCVEGCSA-N 2 2 209.337 2.250 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)C(C)C ZINC000120425000 384351791 /nfs/dbraw/zinc/35/17/91/384351791.db2.gz ABYXHOOUPCDMAH-GFCCVEGCSA-N 2 2 209.337 2.250 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000309736245 384357260 /nfs/dbraw/zinc/35/72/60/384357260.db2.gz CKOMRZAQUNXFRC-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000309736245 384357263 /nfs/dbraw/zinc/35/72/63/384357263.db2.gz CKOMRZAQUNXFRC-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335603721 384374871 /nfs/dbraw/zinc/37/48/71/384374871.db2.gz IUIYVEDJVXLLSS-GXFFZTMASA-N 2 2 222.332 2.160 20 0 BEADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000335603721 384374877 /nfs/dbraw/zinc/37/48/77/384374877.db2.gz IUIYVEDJVXLLSS-GXFFZTMASA-N 2 2 222.332 2.160 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccsc1 ZINC000560905311 384403525 /nfs/dbraw/zinc/40/35/25/384403525.db2.gz RVWLDAXOMKYVRQ-UHFFFAOYSA-N 2 2 212.362 2.132 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccsc1 ZINC000560905311 384403530 /nfs/dbraw/zinc/40/35/30/384403530.db2.gz RVWLDAXOMKYVRQ-UHFFFAOYSA-N 2 2 212.362 2.132 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000335643236 384419280 /nfs/dbraw/zinc/41/92/80/384419280.db2.gz NIYJPAYILDXWMX-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000160855837 384443273 /nfs/dbraw/zinc/44/32/73/384443273.db2.gz XASJXOJFDAQIHI-FRRDWIJNSA-N 2 2 220.360 2.310 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000160855837 384443276 /nfs/dbraw/zinc/44/32/76/384443276.db2.gz XASJXOJFDAQIHI-FRRDWIJNSA-N 2 2 220.360 2.310 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cscn1 ZINC000161155509 384471235 /nfs/dbraw/zinc/47/12/35/384471235.db2.gz GDYUOKLBEKLRQL-ZJUUUORDSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1cccc(Br)c1 ZINC000037712343 384509893 /nfs/dbraw/zinc/50/98/93/384509893.db2.gz BVQYVPRIWXAPAT-QMMMGPOBSA-N 2 2 243.148 2.058 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1cc2ccccc2o1 ZINC000037712574 384513170 /nfs/dbraw/zinc/51/31/70/384513170.db2.gz LBYZUFFQFQWJMI-VIFPVBQESA-N 2 2 204.273 2.042 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(OC(C)C)cc1 ZINC000305914518 384551124 /nfs/dbraw/zinc/55/11/24/384551124.db2.gz APNDXNYRZMKSEI-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(OC(C)C)cc1 ZINC000305914518 384551133 /nfs/dbraw/zinc/55/11/33/384551133.db2.gz APNDXNYRZMKSEI-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP C[NH+](C)Cc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715036 384559943 /nfs/dbraw/zinc/55/99/43/384559943.db2.gz ZJPGDBFDWKTVOC-UHFFFAOYSA-N 2 2 230.315 2.083 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065497 384574727 /nfs/dbraw/zinc/57/47/27/384574727.db2.gz BZHYOFULKJABQM-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065497 384574739 /nfs/dbraw/zinc/57/47/39/384574739.db2.gz BZHYOFULKJABQM-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)[NH+](C)C ZINC000309749607 384575289 /nfs/dbraw/zinc/57/52/89/384575289.db2.gz KCDLFFVXGKXNDU-JHJVBQTASA-N 2 2 230.371 2.445 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066808 384578125 /nfs/dbraw/zinc/57/81/25/384578125.db2.gz UCOMCLRZLUKSLO-ZBFHGGJFSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066808 384578130 /nfs/dbraw/zinc/57/81/30/384578130.db2.gz UCOMCLRZLUKSLO-ZBFHGGJFSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066806 384578383 /nfs/dbraw/zinc/57/83/83/384578383.db2.gz UCOMCLRZLUKSLO-GOEBONIOSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066806 384578392 /nfs/dbraw/zinc/57/83/92/384578392.db2.gz UCOMCLRZLUKSLO-GOEBONIOSA-N 2 2 244.382 2.433 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643066414 384578473 /nfs/dbraw/zinc/57/84/73/384578473.db2.gz OBRDFLKUWHOUQM-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C ZINC000643066414 384578479 /nfs/dbraw/zinc/57/84/79/384578479.db2.gz OBRDFLKUWHOUQM-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000020129030 384581160 /nfs/dbraw/zinc/58/11/60/384581160.db2.gz BEKAHIHYZFXSBW-GFCCVEGCSA-N 2 2 222.332 2.416 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccn1 ZINC000020129011 384581406 /nfs/dbraw/zinc/58/14/06/384581406.db2.gz LKAAPQQCBUAZGO-CYBMUJFWSA-N 2 2 233.359 2.218 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(O)c1 ZINC000020126899 384583085 /nfs/dbraw/zinc/58/30/85/384583085.db2.gz OLDYOVSITXTVMH-GFCCVEGCSA-N 2 2 234.343 2.139 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068806 384584708 /nfs/dbraw/zinc/58/47/08/384584708.db2.gz LMSALGDCYCXNDJ-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068806 384584711 /nfs/dbraw/zinc/58/47/11/384584711.db2.gz LMSALGDCYCXNDJ-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000020523970 384618481 /nfs/dbraw/zinc/61/84/81/384618481.db2.gz BSJZOGMIXSCSSV-RLAWYHOSSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000020523970 384618488 /nfs/dbraw/zinc/61/84/88/384618488.db2.gz BSJZOGMIXSCSSV-RLAWYHOSSA-N 2 2 245.370 2.357 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCCc3occc32)c[nH+]1 ZINC000124000114 384600140 /nfs/dbraw/zinc/60/01/40/384600140.db2.gz KFRWKUOUCQNVJT-LBPRGKRZSA-N 2 2 231.299 2.143 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449456691 384667885 /nfs/dbraw/zinc/66/78/85/384667885.db2.gz MXYDTKMHEQYNNJ-WPCUQIPDSA-N 2 2 208.349 2.025 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449456691 384667892 /nfs/dbraw/zinc/66/78/92/384667892.db2.gz MXYDTKMHEQYNNJ-WPCUQIPDSA-N 2 2 208.349 2.025 20 0 BEADLP Cc1nc(C)c(C[NH2+]C[C@H]([NH3+])CC(C)C)s1 ZINC000309636058 384673529 /nfs/dbraw/zinc/67/35/29/384673529.db2.gz SPUMQSDRCKFNOB-LLVKDONJSA-N 2 2 241.404 2.223 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C(F)F)CC1 ZINC000309861526 384673865 /nfs/dbraw/zinc/67/38/65/384673865.db2.gz MSFWWTIXFAIQJM-WHXUTIOJSA-N 2 2 234.334 2.350 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533318 384642920 /nfs/dbraw/zinc/64/29/20/384642920.db2.gz PGORYJRJPWWTLE-VXGBXAGGSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533318 384642925 /nfs/dbraw/zinc/64/29/25/384642925.db2.gz PGORYJRJPWWTLE-VXGBXAGGSA-N 2 2 236.384 2.240 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729721 384678192 /nfs/dbraw/zinc/67/81/92/384678192.db2.gz YWLUAPYIDBFARD-STQMWFEESA-N 2 2 204.317 2.089 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCCC[C@@H]1C ZINC000647540118 384681551 /nfs/dbraw/zinc/68/15/51/384681551.db2.gz XIFCXGQNCXONOC-CRWXNKLISA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCCC[C@@H]1C ZINC000647540118 384681554 /nfs/dbraw/zinc/68/15/54/384681554.db2.gz XIFCXGQNCXONOC-CRWXNKLISA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCCC[C@@H]1C ZINC000647540121 384682083 /nfs/dbraw/zinc/68/20/83/384682083.db2.gz XIFCXGQNCXONOC-XUXIUFHCSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCCC[C@@H]1C ZINC000647540121 384682089 /nfs/dbraw/zinc/68/20/89/384682089.db2.gz XIFCXGQNCXONOC-XUXIUFHCSA-N 2 2 242.382 2.445 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000309874510 384685362 /nfs/dbraw/zinc/68/53/62/384685362.db2.gz SATHSLJITAMHNF-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000309874510 384685368 /nfs/dbraw/zinc/68/53/68/384685368.db2.gz SATHSLJITAMHNF-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000309914922 384708131 /nfs/dbraw/zinc/70/81/31/384708131.db2.gz OSAJILJAUZDBEI-LBPRGKRZSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000309914922 384708141 /nfs/dbraw/zinc/70/81/41/384708141.db2.gz OSAJILJAUZDBEI-LBPRGKRZSA-N 2 2 244.448 2.450 20 0 BEADLP CCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533864831 384708508 /nfs/dbraw/zinc/70/85/08/384708508.db2.gz DSPINAUATCVWNZ-LLVKDONJSA-N 2 2 207.321 2.010 20 0 BEADLP CCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533864831 384708517 /nfs/dbraw/zinc/70/85/17/384708517.db2.gz DSPINAUATCVWNZ-LLVKDONJSA-N 2 2 207.321 2.010 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1nccs1 ZINC000083142999 384744251 /nfs/dbraw/zinc/74/42/51/384744251.db2.gz QYRHBNAFINZGKZ-NXEZZACHSA-N 2 2 236.344 2.079 20 0 BEADLP C[NH+](C)CCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000125720222 384745543 /nfs/dbraw/zinc/74/55/43/384745543.db2.gz IOMIAMGACZYQLZ-UHFFFAOYSA-N 2 2 244.342 2.126 20 0 BEADLP Cc1ccc(C[N@H+](CC2CC2)CC(C)(C)[NH3+])cn1 ZINC000647552589 384761642 /nfs/dbraw/zinc/76/16/42/384761642.db2.gz JMENZLJXYDHQAT-UHFFFAOYSA-N 2 2 247.386 2.339 20 0 BEADLP Cc1ccc(C[N@@H+](CC2CC2)CC(C)(C)[NH3+])cn1 ZINC000647552589 384761647 /nfs/dbraw/zinc/76/16/47/384761647.db2.gz JMENZLJXYDHQAT-UHFFFAOYSA-N 2 2 247.386 2.339 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000174208321 384766831 /nfs/dbraw/zinc/76/68/31/384766831.db2.gz ORHOFMVONSDQBI-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000174208321 384766838 /nfs/dbraw/zinc/76/68/38/384766838.db2.gz ORHOFMVONSDQBI-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000174208503 384767758 /nfs/dbraw/zinc/76/77/58/384767758.db2.gz ORHOFMVONSDQBI-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000174208503 384767770 /nfs/dbraw/zinc/76/77/70/384767770.db2.gz ORHOFMVONSDQBI-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP COc1c(C)c[nH+]c(Cn2cc[nH+]c2C)c1C ZINC000104293071 384818602 /nfs/dbraw/zinc/81/86/02/384818602.db2.gz ZOUCHWKMZOSKJQ-UHFFFAOYSA-N 2 2 231.299 2.260 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000054110253 384823043 /nfs/dbraw/zinc/82/30/43/384823043.db2.gz IQNUWKFXNAKNTC-UHFFFAOYSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000054110253 384823052 /nfs/dbraw/zinc/82/30/52/384823052.db2.gz IQNUWKFXNAKNTC-UHFFFAOYSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000054110082 384823449 /nfs/dbraw/zinc/82/34/49/384823449.db2.gz HCZUKRKQSCLADP-ZDUSSCGKSA-N 2 2 220.360 2.331 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000054110082 384823453 /nfs/dbraw/zinc/82/34/53/384823453.db2.gz HCZUKRKQSCLADP-ZDUSSCGKSA-N 2 2 220.360 2.331 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000301002419 384826653 /nfs/dbraw/zinc/82/66/53/384826653.db2.gz XHENZBQNHXUTOS-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000301002419 384826662 /nfs/dbraw/zinc/82/66/62/384826662.db2.gz XHENZBQNHXUTOS-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CCOc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000084041884 384833091 /nfs/dbraw/zinc/83/30/91/384833091.db2.gz QSLNFELVTAHHRS-AWEZNQCLSA-N 2 2 234.343 2.181 20 0 BEADLP CCOc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000084041884 384833093 /nfs/dbraw/zinc/83/30/93/384833093.db2.gz QSLNFELVTAHHRS-AWEZNQCLSA-N 2 2 234.343 2.181 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053389593 384789058 /nfs/dbraw/zinc/78/90/58/384789058.db2.gz ZAFVMIVGUPMXGT-LLVKDONJSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053389593 384789063 /nfs/dbraw/zinc/78/90/63/384789063.db2.gz ZAFVMIVGUPMXGT-LLVKDONJSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403686630 384849206 /nfs/dbraw/zinc/84/92/06/384849206.db2.gz RFTSVZUNOPHKNO-MCIONIFRSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403686630 384849214 /nfs/dbraw/zinc/84/92/14/384849214.db2.gz RFTSVZUNOPHKNO-MCIONIFRSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000403695388 384853101 /nfs/dbraw/zinc/85/31/01/384853101.db2.gz SIPYYPMTOLYCJK-SYQHCUMBSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000403695388 384853104 /nfs/dbraw/zinc/85/31/04/384853104.db2.gz SIPYYPMTOLYCJK-SYQHCUMBSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127810695 384951090 /nfs/dbraw/zinc/95/10/90/384951090.db2.gz OLYHVMKPAAYETA-LBPRGKRZSA-N 2 2 238.350 2.471 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000127810695 384951097 /nfs/dbraw/zinc/95/10/97/384951097.db2.gz OLYHVMKPAAYETA-LBPRGKRZSA-N 2 2 238.350 2.471 20 0 BEADLP COc1ccc(C[NH2+]CC(C)(C)[NH3+])c(Cl)c1 ZINC000258847143 384947396 /nfs/dbraw/zinc/94/73/96/384947396.db2.gz NMOKKNVOIJVNAP-UHFFFAOYSA-N 2 2 242.750 2.176 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000129041359 384974677 /nfs/dbraw/zinc/97/46/77/384974677.db2.gz RRZJYIQEVQJWSM-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CCC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000187725051 384977424 /nfs/dbraw/zinc/97/74/24/384977424.db2.gz BLKHCSSPHWFYQN-GFCCVEGCSA-N 2 2 248.374 2.096 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000234846441 384980816 /nfs/dbraw/zinc/98/08/16/384980816.db2.gz GSSXOGCWVQEMPE-WDEREUQCSA-N 2 2 222.332 2.001 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)sn1 ZINC000404415792 384982733 /nfs/dbraw/zinc/98/27/33/384982733.db2.gz NKHHZAHBBSUKNR-MNOVXSKESA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)sn1 ZINC000404415792 384982740 /nfs/dbraw/zinc/98/27/40/384982740.db2.gz NKHHZAHBBSUKNR-MNOVXSKESA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000107778285 385000862 /nfs/dbraw/zinc/00/08/62/385000862.db2.gz BQIPHVHVXTYSQO-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000107778285 385000867 /nfs/dbraw/zinc/00/08/67/385000867.db2.gz BQIPHVHVXTYSQO-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000226869469 385069287 /nfs/dbraw/zinc/06/92/87/385069287.db2.gz HOTUTBURBSSVDZ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000226869469 385069292 /nfs/dbraw/zinc/06/92/92/385069292.db2.gz HOTUTBURBSSVDZ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCc1ccccc1C ZINC000162925959 385027826 /nfs/dbraw/zinc/02/78/26/385027826.db2.gz JHIXXRBMKSNMLJ-UHFFFAOYSA-N 2 2 220.360 2.079 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCc1ccccc1C ZINC000162925959 385027834 /nfs/dbraw/zinc/02/78/34/385027834.db2.gz JHIXXRBMKSNMLJ-UHFFFAOYSA-N 2 2 220.360 2.079 20 0 BEADLP Cc1ccsc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000128419627 385033359 /nfs/dbraw/zinc/03/33/59/385033359.db2.gz AZZHQTQERJDCIR-NWDGAFQWSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccsc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000128419627 385033365 /nfs/dbraw/zinc/03/33/65/385033365.db2.gz AZZHQTQERJDCIR-NWDGAFQWSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1cc(C)c(CNc2cc[nH+]cc2C)c[nH+]1 ZINC000336257584 385105229 /nfs/dbraw/zinc/10/52/29/385105229.db2.gz ZVZDXMPWMQUHDC-UHFFFAOYSA-N 2 2 227.311 2.436 20 0 BEADLP Cc1ccc(N[C@H](C)C[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000164638444 385195141 /nfs/dbraw/zinc/19/51/41/385195141.db2.gz VOJNGOVLOGTOQE-VXGBXAGGSA-N 2 2 219.332 2.333 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647481363 385176161 /nfs/dbraw/zinc/17/61/61/385176161.db2.gz TUTXYIMJKGKMTH-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647481363 385176166 /nfs/dbraw/zinc/17/61/66/385176166.db2.gz TUTXYIMJKGKMTH-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C[NH+](C)C ZINC000130068278 385216247 /nfs/dbraw/zinc/21/62/47/385216247.db2.gz SZNLZIPWMPWINL-RYUDHWBXSA-N 2 2 224.348 2.140 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000346629667 385252036 /nfs/dbraw/zinc/25/20/36/385252036.db2.gz FSRYZETWNVSVFG-TZMCWYRMSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000346629660 385253354 /nfs/dbraw/zinc/25/33/54/385253354.db2.gz FSRYZETWNVSVFG-JSGCOSHPSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037712604 385271502 /nfs/dbraw/zinc/27/15/02/385271502.db2.gz TZPRWKSRYZGRCE-QMMMGPOBSA-N 2 2 248.248 2.195 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1CC2(CCC2)C1 ZINC000308980620 385322749 /nfs/dbraw/zinc/32/27/49/385322749.db2.gz IAOYMAPLNLZRLW-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1CC2(CCC2)C1 ZINC000308980620 385322758 /nfs/dbraw/zinc/32/27/58/385322758.db2.gz IAOYMAPLNLZRLW-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH2+]Cc1ccc(Cl)o1)C[NH+](C)C ZINC000308943365 385299849 /nfs/dbraw/zinc/29/98/49/385299849.db2.gz VNHLWMKSUTZVSZ-SECBINFHSA-N 2 2 230.739 2.220 20 0 BEADLP C[C@@H](C[NH2+]C1Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000131043561 385301397 /nfs/dbraw/zinc/30/13/97/385301397.db2.gz ZISILMAPOZZBLJ-LBPRGKRZSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@@H](C[NH2+]C1Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000131043561 385301403 /nfs/dbraw/zinc/30/14/03/385301403.db2.gz ZISILMAPOZZBLJ-LBPRGKRZSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154564957 385338225 /nfs/dbraw/zinc/33/82/25/385338225.db2.gz IYCDRNSJSPBEBK-QWHCGFSZSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154564957 385338228 /nfs/dbraw/zinc/33/82/28/385338228.db2.gz IYCDRNSJSPBEBK-QWHCGFSZSA-N 2 2 236.359 2.285 20 0 BEADLP c1cn(CC[NH+]2CCCCCCC2)c[nH+]1 ZINC000131721312 385355831 /nfs/dbraw/zinc/35/58/31/385355831.db2.gz CWDQYSNJHYZTNV-UHFFFAOYSA-N 2 2 207.321 2.149 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)C1CCC1 ZINC000309015072 385371379 /nfs/dbraw/zinc/37/13/79/385371379.db2.gz UCPPFCFXIMBAQU-LOWVWBTDSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)C1CCC1 ZINC000309015072 385371381 /nfs/dbraw/zinc/37/13/81/385371381.db2.gz UCPPFCFXIMBAQU-LOWVWBTDSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1nccc2ccccc21 ZINC000647496023 385380380 /nfs/dbraw/zinc/38/03/80/385380380.db2.gz CQINQKYIYROAHZ-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1nccc2ccccc21 ZINC000647496023 385380385 /nfs/dbraw/zinc/38/03/85/385380385.db2.gz CQINQKYIYROAHZ-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000309062856 385390817 /nfs/dbraw/zinc/39/08/17/385390817.db2.gz XQYMRMGTNFYSSM-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000309062856 385390821 /nfs/dbraw/zinc/39/08/21/385390821.db2.gz XQYMRMGTNFYSSM-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155678931 385404543 /nfs/dbraw/zinc/40/45/43/385404543.db2.gz WAGKWOUINUJUMC-DOMZBBRYSA-N 2 2 241.338 2.406 20 0 BEADLP CSC1(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000193652894 385406345 /nfs/dbraw/zinc/40/63/45/385406345.db2.gz RIOVEJWFEHGCFW-UHFFFAOYSA-N 2 2 247.367 2.320 20 0 BEADLP CC(C)n1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cn1 ZINC000155738859 385409738 /nfs/dbraw/zinc/40/97/38/385409738.db2.gz XABWCRVYCPQKJL-GFCCVEGCSA-N 2 2 247.346 2.011 20 0 BEADLP COC[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156229235 385443117 /nfs/dbraw/zinc/44/31/17/385443117.db2.gz BPSADGFLJNOMPJ-LLVKDONJSA-N 2 2 247.342 2.120 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccnc1Cl)C[NH+](C)C ZINC000291676337 385467437 /nfs/dbraw/zinc/46/74/37/385467437.db2.gz HEVFIEFOHKRPSM-JTQLQIEISA-N 2 2 241.766 2.022 20 0 BEADLP CC[C@H](CSC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000179664688 385482384 /nfs/dbraw/zinc/48/23/84/385482384.db2.gz HGKJCZRBFVAYND-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CC[C@H](CSC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000179664688 385482389 /nfs/dbraw/zinc/48/23/89/385482389.db2.gz HGKJCZRBFVAYND-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP c1cn(CCC[NH+]2CCCCCC2)c[nH+]1 ZINC000182623941 385460372 /nfs/dbraw/zinc/46/03/72/385460372.db2.gz XMNGAQUJMJMFKA-UHFFFAOYSA-N 2 2 207.321 2.149 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1F ZINC000334165538 385515560 /nfs/dbraw/zinc/51/55/60/385515560.db2.gz AGFYVSWAFULIMB-SMDDNHRTSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1F ZINC000334165538 385515567 /nfs/dbraw/zinc/51/55/67/385515567.db2.gz AGFYVSWAFULIMB-SMDDNHRTSA-N 2 2 236.334 2.174 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000309327103 385530241 /nfs/dbraw/zinc/53/02/41/385530241.db2.gz GVJZWJNDYMRFJH-UHFFFAOYSA-N 2 2 238.297 2.401 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C1CCCC1)CCCC2 ZINC000309328965 385534536 /nfs/dbraw/zinc/53/45/36/385534536.db2.gz HHLBZKGLYMFDON-UHFFFAOYSA-N 2 2 219.332 2.252 20 0 BEADLP C[Si](C)(C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933858 385535507 /nfs/dbraw/zinc/53/55/07/385535507.db2.gz UAPGOYFBJNXHLH-UHFFFAOYSA-N 2 2 237.423 2.397 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000309394675 385561952 /nfs/dbraw/zinc/56/19/52/385561952.db2.gz VAZZOPHAPQACJQ-BLYZHGLHSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000309394675 385561953 /nfs/dbraw/zinc/56/19/53/385561953.db2.gz VAZZOPHAPQACJQ-BLYZHGLHSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1ccc(CCC[NH2+][C@]2(C)CCO[C@@H]2C)c[nH+]1 ZINC000354630733 385602476 /nfs/dbraw/zinc/60/24/76/385602476.db2.gz DCMODQSFXWCAIW-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP CCSCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000309428945 385581560 /nfs/dbraw/zinc/58/15/60/385581560.db2.gz FTGXJUYBRFTUKK-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000309428945 385581562 /nfs/dbraw/zinc/58/15/62/385581562.db2.gz FTGXJUYBRFTUKK-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)[nH+]c1 ZINC000269881506 385644857 /nfs/dbraw/zinc/64/48/57/385644857.db2.gz SBYRAHXJTQVWMR-LBPRGKRZSA-N 2 2 240.310 2.167 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000054765344 385656368 /nfs/dbraw/zinc/65/63/68/385656368.db2.gz XAVPCWWOAGDSOO-SNVBAGLBSA-N 2 2 207.321 2.468 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309544255 385679381 /nfs/dbraw/zinc/67/93/81/385679381.db2.gz GMSBMPOOTCOAAU-SGMGOOAPSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309544255 385679385 /nfs/dbraw/zinc/67/93/85/385679385.db2.gz GMSBMPOOTCOAAU-SGMGOOAPSA-N 2 2 218.344 2.287 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1nccs1)C1CCCCC1 ZINC000414853396 385688616 /nfs/dbraw/zinc/68/86/16/385688616.db2.gz SHJINQKDWUPDSX-NSHDSACASA-N 2 2 239.388 2.140 20 0 BEADLP c1cn(CCC[NH+]2Cc3ccccc3C2)c[nH+]1 ZINC000182766244 385702372 /nfs/dbraw/zinc/70/23/72/385702372.db2.gz IHONNTVAZZCIEY-UHFFFAOYSA-N 2 2 227.311 2.289 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC12CCC2 ZINC000309572649 385703090 /nfs/dbraw/zinc/70/30/90/385703090.db2.gz NZPNXZHQQSJVEB-RYUDHWBXSA-N 2 2 219.332 2.194 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccc(F)c1F)C[NH+](C)C ZINC000291794560 385708478 /nfs/dbraw/zinc/70/84/78/385708478.db2.gz WPKIWCBEHHOINB-JTQLQIEISA-N 2 2 242.313 2.252 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(C)CC1 ZINC000309586658 385712184 /nfs/dbraw/zinc/71/21/84/385712184.db2.gz RYQMOYGQDHXDLJ-ZJUUUORDSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1(C)CC1 ZINC000309586658 385712187 /nfs/dbraw/zinc/71/21/87/385712187.db2.gz RYQMOYGQDHXDLJ-ZJUUUORDSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000253207913 385668388 /nfs/dbraw/zinc/66/83/88/385668388.db2.gz YFRZMCVHYZRKFO-HUUCEWRRSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000253207913 385668396 /nfs/dbraw/zinc/66/83/96/385668396.db2.gz YFRZMCVHYZRKFO-HUUCEWRRSA-N 2 2 245.370 2.106 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414859079 385734200 /nfs/dbraw/zinc/73/42/00/385734200.db2.gz AMVPVHQOXLCRSM-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858455 385736343 /nfs/dbraw/zinc/73/63/43/385736343.db2.gz JKTPIFBAODUGJG-CYBMUJFWSA-N 3 2 241.423 2.001 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000309608826 385739020 /nfs/dbraw/zinc/73/90/20/385739020.db2.gz ZINXVFXBWIYHPC-MNOVXSKESA-N 2 2 221.348 2.222 20 0 BEADLP FC(F)C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183176643 385739754 /nfs/dbraw/zinc/73/97/54/385739754.db2.gz LWWCFYCGWOLIOX-UHFFFAOYSA-N 2 2 229.274 2.003 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccoc1C ZINC000270862133 385752749 /nfs/dbraw/zinc/75/27/49/385752749.db2.gz SABMZAFFLRDHKJ-UHFFFAOYSA-N 2 2 233.315 2.225 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccoc1C ZINC000270862133 385752752 /nfs/dbraw/zinc/75/27/52/385752752.db2.gz SABMZAFFLRDHKJ-UHFFFAOYSA-N 2 2 233.315 2.225 20 0 BEADLP CSC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270884768 385756583 /nfs/dbraw/zinc/75/65/83/385756583.db2.gz OANLABJYSHLHED-LBPRGKRZSA-N 2 2 239.388 2.019 20 0 BEADLP CSC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000270884768 385756595 /nfs/dbraw/zinc/75/65/95/385756595.db2.gz OANLABJYSHLHED-LBPRGKRZSA-N 2 2 239.388 2.019 20 0 BEADLP FC(F)(F)C1=CC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000270907535 385758354 /nfs/dbraw/zinc/75/83/54/385758354.db2.gz SHULEASSUGQCNV-UHFFFAOYSA-N 2 2 245.248 2.078 20 0 BEADLP FC(F)(F)C1=CC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000270907535 385758355 /nfs/dbraw/zinc/75/83/55/385758355.db2.gz SHULEASSUGQCNV-UHFFFAOYSA-N 2 2 245.248 2.078 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)[C@@H]1C ZINC000336700430 385761303 /nfs/dbraw/zinc/76/13/03/385761303.db2.gz PIEMSMFBPADAIQ-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000414555908 385762951 /nfs/dbraw/zinc/76/29/51/385762951.db2.gz UWPNHKGRAWEYQB-OTTFEQOBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000414555908 385762954 /nfs/dbraw/zinc/76/29/54/385762954.db2.gz UWPNHKGRAWEYQB-OTTFEQOBSA-N 2 2 224.392 2.495 20 0 BEADLP c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000309664893 385777065 /nfs/dbraw/zinc/77/70/65/385777065.db2.gz HGUDXPUWZOJFOA-JTQLQIEISA-N 2 2 233.340 2.118 20 0 BEADLP c1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000309664893 385777070 /nfs/dbraw/zinc/77/70/70/385777070.db2.gz HGUDXPUWZOJFOA-JTQLQIEISA-N 2 2 233.340 2.118 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC2(C)C)s1 ZINC000309658965 385779885 /nfs/dbraw/zinc/77/98/85/385779885.db2.gz QSOZXJSHSVSENV-JTQLQIEISA-N 2 2 239.388 2.093 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000309591626 385720755 /nfs/dbraw/zinc/72/07/55/385720755.db2.gz UYPUHXZGTIRBAP-SMDDNHRTSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000309591626 385720757 /nfs/dbraw/zinc/72/07/57/385720757.db2.gz UYPUHXZGTIRBAP-SMDDNHRTSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000335490480 385723750 /nfs/dbraw/zinc/72/37/50/385723750.db2.gz DYJLPRNZGSLNHP-JOYOIKCWSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000271331129 385819643 /nfs/dbraw/zinc/81/96/43/385819643.db2.gz ATKOESZZYBSNHN-OLZOCXBDSA-N 2 2 244.342 2.326 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271346849 385819944 /nfs/dbraw/zinc/81/99/44/385819944.db2.gz XVOVMQNCEHJZQP-VXGBXAGGSA-N 2 2 207.321 2.174 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271346849 385819947 /nfs/dbraw/zinc/81/99/47/385819947.db2.gz XVOVMQNCEHJZQP-VXGBXAGGSA-N 2 2 207.321 2.174 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC000414951645 385822429 /nfs/dbraw/zinc/82/24/29/385822429.db2.gz HVOZDQLUFPNMHM-SNVBAGLBSA-N 2 2 226.751 2.428 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccncc1F ZINC000340177054 385823001 /nfs/dbraw/zinc/82/30/01/385823001.db2.gz VEHVQSUFCAHPOY-QWRGUYRKSA-N 2 2 248.305 2.157 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)ccc1F ZINC000414952332 385823403 /nfs/dbraw/zinc/82/34/03/385823403.db2.gz KGHPKPAQNFICCK-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1OC1CCCC1 ZINC000414955539 385837827 /nfs/dbraw/zinc/83/78/27/385837827.db2.gz OMXNNAYOQZMHFW-LBPRGKRZSA-N 2 2 248.370 2.445 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336740902 385840816 /nfs/dbraw/zinc/84/08/16/385840816.db2.gz MSPHTXYLJQGNNN-WOPDTQHZSA-N 2 2 221.348 2.296 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414957288 385846088 /nfs/dbraw/zinc/84/60/88/385846088.db2.gz OESUESJRTRKZCM-GFCCVEGCSA-N 2 2 236.359 2.091 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000336741042 385846664 /nfs/dbraw/zinc/84/66/64/385846664.db2.gz MVSGRZQHDYYGDL-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000336741036 385847024 /nfs/dbraw/zinc/84/70/24/385847024.db2.gz MVSGRZQHDYYGDL-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(F)c(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414876624 385910323 /nfs/dbraw/zinc/91/03/23/385910323.db2.gz DQSXTYHJURGHIL-UHFFFAOYSA-N 2 2 222.307 2.105 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189089129 385925552 /nfs/dbraw/zinc/92/55/52/385925552.db2.gz SJJBRIFRHILTFZ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189089129 385925558 /nfs/dbraw/zinc/92/55/58/385925558.db2.gz SJJBRIFRHILTFZ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000342106106 385926970 /nfs/dbraw/zinc/92/69/70/385926970.db2.gz OTTQMAHVJMUPRT-VIFPVBQESA-N 2 2 240.297 2.497 20 0 BEADLP FCCC[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000337993610 385871165 /nfs/dbraw/zinc/87/11/65/385871165.db2.gz CFAKSRBHCPTBFE-CHWSQXEVSA-N 2 2 239.338 2.391 20 0 BEADLP c1cn(CCC[N@@H+]2CCc3ccsc3C2)c[nH+]1 ZINC000272086154 385873255 /nfs/dbraw/zinc/87/32/55/385873255.db2.gz XDXJQBWASYCVFX-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP c1cn(CCC[N@H+]2CCc3ccsc3C2)c[nH+]1 ZINC000272086154 385873258 /nfs/dbraw/zinc/87/32/58/385873258.db2.gz XDXJQBWASYCVFX-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000335023379 385985436 /nfs/dbraw/zinc/98/54/36/385985436.db2.gz GZQZPVDSIGOBHU-XHDPSFHLSA-N 2 2 230.355 2.188 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1F ZINC000338364201 385988748 /nfs/dbraw/zinc/98/87/48/385988748.db2.gz BVBGILGBVSRSDO-LLVKDONJSA-N 2 2 248.305 2.158 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000414972575 385989197 /nfs/dbraw/zinc/98/91/97/385989197.db2.gz ASKDHNBQRGCXNC-SNVBAGLBSA-N 2 2 241.404 2.169 20 0 BEADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000335044209 385939424 /nfs/dbraw/zinc/93/94/24/385939424.db2.gz UKWSMZJBQOGVFQ-NWDGAFQWSA-N 2 2 208.305 2.029 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCOC[C@]1(C)CC ZINC000338289755 385941404 /nfs/dbraw/zinc/94/14/04/385941404.db2.gz UZTYYBRYPKYKGP-AWEZNQCLSA-N 2 2 242.407 2.219 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCOC[C@]1(C)CC ZINC000338289755 385941412 /nfs/dbraw/zinc/94/14/12/385941412.db2.gz UZTYYBRYPKYKGP-AWEZNQCLSA-N 2 2 242.407 2.219 20 0 BEADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335055047 385953556 /nfs/dbraw/zinc/95/35/56/385953556.db2.gz QMTWEBJADNIBCV-UKRRQHHQSA-N 2 2 230.355 2.406 20 0 BEADLP C[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000335057047 385956364 /nfs/dbraw/zinc/95/63/64/385956364.db2.gz WPTJXLPEWDLPID-UHFFFAOYSA-N 2 2 231.343 2.161 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CC1(C)C ZINC000414091151 385957232 /nfs/dbraw/zinc/95/72/32/385957232.db2.gz LGZYFRCCSDSVDA-ZDEQEGDKSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CC1(C)C ZINC000414091151 385957239 /nfs/dbraw/zinc/95/72/39/385957239.db2.gz LGZYFRCCSDSVDA-ZDEQEGDKSA-N 2 2 224.392 2.351 20 0 BEADLP Cn1cccc1[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000272998537 385958327 /nfs/dbraw/zinc/95/83/27/385958327.db2.gz RRFUEAPOUSQYGC-AWEZNQCLSA-N 2 2 244.342 2.059 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cs1 ZINC000335057821 385958615 /nfs/dbraw/zinc/95/86/15/385958615.db2.gz CYUKNVKLOMCIEG-ZYHUDNBSSA-N 2 2 224.373 2.459 20 0 BEADLP CC[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273046576 385964166 /nfs/dbraw/zinc/96/41/66/385964166.db2.gz HEKKCHVYGQAQJI-SNVBAGLBSA-N 2 2 207.321 2.388 20 0 BEADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@H]1C[C@H]1C ZINC000414108243 385970489 /nfs/dbraw/zinc/97/04/89/385970489.db2.gz JYABQIRUSWAWDP-FVCCEPFGSA-N 2 2 242.432 2.058 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000338345512 385973515 /nfs/dbraw/zinc/97/35/15/385973515.db2.gz ANNRYJILEXETLB-MELADBBJSA-N 2 2 242.407 2.216 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000338345512 385973518 /nfs/dbraw/zinc/97/35/18/385973518.db2.gz ANNRYJILEXETLB-MELADBBJSA-N 2 2 242.407 2.216 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000338345479 385973657 /nfs/dbraw/zinc/97/36/57/385973657.db2.gz ANNRYJILEXETLB-BFHYXJOUSA-N 2 2 242.407 2.216 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000338345479 385973660 /nfs/dbraw/zinc/97/36/60/385973660.db2.gz ANNRYJILEXETLB-BFHYXJOUSA-N 2 2 242.407 2.216 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CCC1 ZINC000336770092 386001607 /nfs/dbraw/zinc/00/16/07/386001607.db2.gz WESPQTHQRKBWFH-WDEREUQCSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CCC1 ZINC000336770088 386001869 /nfs/dbraw/zinc/00/18/69/386001869.db2.gz WESPQTHQRKBWFH-GHMZBOCLSA-N 2 2 207.321 2.050 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414111675 386006035 /nfs/dbraw/zinc/00/60/35/386006035.db2.gz JDHQPLQNDFNEKP-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414111675 386006039 /nfs/dbraw/zinc/00/60/39/386006039.db2.gz JDHQPLQNDFNEKP-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1C[C@H]1C ZINC000414116215 386008402 /nfs/dbraw/zinc/00/84/02/386008402.db2.gz WJGBSZYIEGCODE-FHUSYTEZSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1C[C@H]1C ZINC000414116215 386008408 /nfs/dbraw/zinc/00/84/08/386008408.db2.gz WJGBSZYIEGCODE-FHUSYTEZSA-N 2 2 210.365 2.103 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1OC(C)C ZINC000414976120 386014796 /nfs/dbraw/zinc/01/47/96/386014796.db2.gz HKSVXDLBUNQOBW-ZDUSSCGKSA-N 2 2 236.359 2.301 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1F ZINC000414980648 386056479 /nfs/dbraw/zinc/05/64/79/386056479.db2.gz AQPZLJNQCNVQAP-NSHDSACASA-N 2 2 240.322 2.051 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC12CCC2 ZINC000336753346 386024472 /nfs/dbraw/zinc/02/44/72/386024472.db2.gz HOROMAINDQUIRO-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC12CCC2 ZINC000336753346 386024477 /nfs/dbraw/zinc/02/44/77/386024477.db2.gz HOROMAINDQUIRO-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2ncsc2c1 ZINC000335061563 386027332 /nfs/dbraw/zinc/02/73/32/386027332.db2.gz BEINQHVAHSLLLE-ONGXEEELSA-N 2 2 247.367 2.309 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cs1 ZINC000335061923 386030020 /nfs/dbraw/zinc/03/00/20/386030020.db2.gz WRAMCWXXBBBGDQ-MWLCHTKSSA-N 2 2 210.346 2.069 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335064640 386034792 /nfs/dbraw/zinc/03/47/92/386034792.db2.gz IBEIDLWHYGRULP-NEPJUHHUSA-N 2 2 242.725 2.449 20 0 BEADLP Cc1nocc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000295228229 385996286 /nfs/dbraw/zinc/99/62/86/385996286.db2.gz CNUGXPQITMZNJZ-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1nocc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000295228229 385996290 /nfs/dbraw/zinc/99/62/90/385996290.db2.gz CNUGXPQITMZNJZ-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC000189916157 386118234 /nfs/dbraw/zinc/11/82/34/386118234.db2.gz ZPAQDZQLVCKCCE-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC000189916157 386118236 /nfs/dbraw/zinc/11/82/36/386118236.db2.gz ZPAQDZQLVCKCCE-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC000189916157 386118242 /nfs/dbraw/zinc/11/82/42/386118242.db2.gz ZPAQDZQLVCKCCE-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000189916157 386118249 /nfs/dbraw/zinc/11/82/49/386118249.db2.gz ZPAQDZQLVCKCCE-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335073162 386065428 /nfs/dbraw/zinc/06/54/28/386065428.db2.gz HOFWYEYVVLIMBD-ZFWWWQNUSA-N 2 2 230.355 2.324 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414329440 386122784 /nfs/dbraw/zinc/12/27/84/386122784.db2.gz DBXIHAWOCMSUEU-LPWJVIDDSA-N 2 2 234.343 2.065 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414329440 386122791 /nfs/dbraw/zinc/12/27/91/386122791.db2.gz DBXIHAWOCMSUEU-LPWJVIDDSA-N 2 2 234.343 2.065 20 0 BEADLP CCCc1csc(C[NH2+]CC2([NH3+])CCC2)n1 ZINC000414887756 386095154 /nfs/dbraw/zinc/09/51/54/386095154.db2.gz ZKSLBBKALZKNRN-UHFFFAOYSA-N 2 2 239.388 2.067 20 0 BEADLP CC(C)(C)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346282566 386189822 /nfs/dbraw/zinc/18/98/22/386189822.db2.gz WQHYXIXKVUFGTJ-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)(C)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000346282566 386189824 /nfs/dbraw/zinc/18/98/24/386189824.db2.gz WQHYXIXKVUFGTJ-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2F)CCC1 ZINC000414892226 386151791 /nfs/dbraw/zinc/15/17/91/386151791.db2.gz WVHXQCQKAVRXIO-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414893227 386154296 /nfs/dbraw/zinc/15/42/96/386154296.db2.gz YTURYMHWTFKSDW-CQSZACIVSA-N 2 2 216.328 2.016 20 0 BEADLP CC[C@H](F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000440782019 386156759 /nfs/dbraw/zinc/15/67/59/386156759.db2.gz ULVGRRIEFMJKCZ-NSHDSACASA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000440782018 386156911 /nfs/dbraw/zinc/15/69/11/386156911.db2.gz ULVGRRIEFMJKCZ-LLVKDONJSA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000440801725 386160941 /nfs/dbraw/zinc/16/09/41/386160941.db2.gz RIVSTJOXFILKJI-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000440801725 386160944 /nfs/dbraw/zinc/16/09/44/386160944.db2.gz RIVSTJOXFILKJI-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414679805 386162628 /nfs/dbraw/zinc/16/26/28/386162628.db2.gz XITOONGXMYBEBA-XHSDSOJGSA-N 2 2 244.382 2.474 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414679805 386162632 /nfs/dbraw/zinc/16/26/32/386162632.db2.gz XITOONGXMYBEBA-XHSDSOJGSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccncc1F ZINC000338950200 386184962 /nfs/dbraw/zinc/18/49/62/386184962.db2.gz XJKVXNGEDQTMHR-GHMZBOCLSA-N 2 2 239.338 2.212 20 0 BEADLP Cc1ccccc1[C@H]1C[N@H+](CCC[NH3+])[C@H](C)CO1 ZINC000414693151 386188114 /nfs/dbraw/zinc/18/81/14/386188114.db2.gz DVCVZNXZWDUHIC-UKRRQHHQSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccccc1[C@H]1C[N@@H+](CCC[NH3+])[C@H](C)CO1 ZINC000414693151 386188120 /nfs/dbraw/zinc/18/81/20/386188120.db2.gz DVCVZNXZWDUHIC-UKRRQHHQSA-N 2 2 248.370 2.106 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000414330530 386125071 /nfs/dbraw/zinc/12/50/71/386125071.db2.gz CCBDGJASQQCFGY-IHRRRGAJSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000414330530 386125076 /nfs/dbraw/zinc/12/50/76/386125076.db2.gz CCBDGJASQQCFGY-IHRRRGAJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000334466108 386126634 /nfs/dbraw/zinc/12/66/34/386126634.db2.gz CYSUPIYGPNLAMM-SMDDNHRTSA-N 2 2 248.345 2.355 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343178 386132129 /nfs/dbraw/zinc/13/21/29/386132129.db2.gz QQJRHSYUAFVOGZ-ZRJCITRHSA-N 2 2 246.354 2.208 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343178 386132133 /nfs/dbraw/zinc/13/21/33/386132133.db2.gz QQJRHSYUAFVOGZ-ZRJCITRHSA-N 2 2 246.354 2.208 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343174 386132693 /nfs/dbraw/zinc/13/26/93/386132693.db2.gz QQJRHSYUAFVOGZ-FMKGYKFTSA-N 2 2 246.354 2.208 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343174 386132701 /nfs/dbraw/zinc/13/27/01/386132701.db2.gz QQJRHSYUAFVOGZ-FMKGYKFTSA-N 2 2 246.354 2.208 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000275336765 386200663 /nfs/dbraw/zinc/20/06/63/386200663.db2.gz WYDNZBWBUSQDSU-AWEZNQCLSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H]1CCOC1 ZINC000275336765 386200667 /nfs/dbraw/zinc/20/06/67/386200667.db2.gz WYDNZBWBUSQDSU-AWEZNQCLSA-N 2 2 248.370 2.291 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000414896574 386205412 /nfs/dbraw/zinc/20/54/12/386205412.db2.gz PMDLGISZEABCLB-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347142659 386259649 /nfs/dbraw/zinc/25/96/49/386259649.db2.gz XAGRWAZVLKGETJ-OAHLLOKOSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347142659 386259652 /nfs/dbraw/zinc/25/96/52/386259652.db2.gz XAGRWAZVLKGETJ-OAHLLOKOSA-N 2 2 230.355 2.321 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275446528 386213016 /nfs/dbraw/zinc/21/30/16/386213016.db2.gz GAXCABRJQBFKOV-CABCVRRESA-N 2 2 232.371 2.474 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c(Cl)c1 ZINC000415000231 386221421 /nfs/dbraw/zinc/22/14/21/386221421.db2.gz ALACULJVUTUCGO-IUCAKERBSA-N 2 2 242.750 2.174 20 0 BEADLP CC(C)CO[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414706906 386221838 /nfs/dbraw/zinc/22/18/38/386221838.db2.gz LTHHFRAJEVAVGB-KGLIPLIRSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)CO[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414706906 386221841 /nfs/dbraw/zinc/22/18/41/386221841.db2.gz LTHHFRAJEVAVGB-KGLIPLIRSA-N 2 2 242.407 2.107 20 0 BEADLP C[NH+](C)CCc1ccccc1NCc1[nH]cc[nH+]1 ZINC000275672033 386230467 /nfs/dbraw/zinc/23/04/67/386230467.db2.gz XKZCBFQUJAOWNZ-UHFFFAOYSA-N 2 2 244.342 2.126 20 0 BEADLP CO[C@@H](C)C[N@H+](CC[NH2+]C(C)(C)C)C(C)C ZINC000414716638 386237472 /nfs/dbraw/zinc/23/74/72/386237472.db2.gz XIQMFHWKYHINMM-LBPRGKRZSA-N 2 2 230.396 2.120 20 0 BEADLP CO[C@@H](C)C[N@@H+](CC[NH2+]C(C)(C)C)C(C)C ZINC000414716638 386237476 /nfs/dbraw/zinc/23/74/76/386237476.db2.gz XIQMFHWKYHINMM-LBPRGKRZSA-N 2 2 230.396 2.120 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000414716703 386239345 /nfs/dbraw/zinc/23/93/45/386239345.db2.gz SQOXSTVWZQBTTP-JSGCOSHPSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000414716703 386239347 /nfs/dbraw/zinc/23/93/47/386239347.db2.gz SQOXSTVWZQBTTP-JSGCOSHPSA-N 2 2 235.375 2.448 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000288997571 386250342 /nfs/dbraw/zinc/25/03/42/386250342.db2.gz DSPRWBKEGQJIRC-UONOGXRCSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000288997571 386250347 /nfs/dbraw/zinc/25/03/47/386250347.db2.gz DSPRWBKEGQJIRC-UONOGXRCSA-N 2 2 248.370 2.432 20 0 BEADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccccn1 ZINC000264620415 386254961 /nfs/dbraw/zinc/25/49/61/386254961.db2.gz NNVNROFVFPRMHX-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccccn1 ZINC000264620415 386254967 /nfs/dbraw/zinc/25/49/67/386254967.db2.gz NNVNROFVFPRMHX-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000347189403 386256124 /nfs/dbraw/zinc/25/61/24/386256124.db2.gz DJAWNNRXLZSTEE-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000347189403 386256128 /nfs/dbraw/zinc/25/61/28/386256128.db2.gz DJAWNNRXLZSTEE-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c(C2CC2)n1 ZINC000264889530 386282835 /nfs/dbraw/zinc/28/28/35/386282835.db2.gz STYAUESTLQKIJJ-SNVBAGLBSA-N 2 2 234.347 2.106 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)CCc1cccs1 ZINC000297863437 386285211 /nfs/dbraw/zinc/28/52/11/386285211.db2.gz PICCXZSNRPCCPW-UHFFFAOYSA-N 2 2 249.383 2.199 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)CCc1cccs1 ZINC000297863437 386285215 /nfs/dbraw/zinc/28/52/15/386285215.db2.gz PICCXZSNRPCCPW-UHFFFAOYSA-N 2 2 249.383 2.199 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1F ZINC000265261944 386324264 /nfs/dbraw/zinc/32/42/64/386324264.db2.gz RARLLHLVWUNSEA-UHFFFAOYSA-N 2 2 224.323 2.209 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1F ZINC000265261944 386324269 /nfs/dbraw/zinc/32/42/69/386324269.db2.gz RARLLHLVWUNSEA-UHFFFAOYSA-N 2 2 224.323 2.209 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000347216154 386287715 /nfs/dbraw/zinc/28/77/15/386287715.db2.gz RBUVMQJUFUAOAM-SECBINFHSA-N 2 2 236.290 2.351 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000347216154 386287719 /nfs/dbraw/zinc/28/77/19/386287719.db2.gz RBUVMQJUFUAOAM-SECBINFHSA-N 2 2 236.290 2.351 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCc2c[nH+]cn2C)cc1 ZINC000289369350 386289304 /nfs/dbraw/zinc/28/93/04/386289304.db2.gz OZCNMDVVVRBKCP-UHFFFAOYSA-N 2 2 243.354 2.403 20 0 BEADLP Cc1ccc(C[N@H+](C)CCc2c[nH+]cn2C)cc1 ZINC000289369350 386289311 /nfs/dbraw/zinc/28/93/11/386289311.db2.gz OZCNMDVVVRBKCP-UHFFFAOYSA-N 2 2 243.354 2.403 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[N@H+](C)C1CC1 ZINC000336730902 386290595 /nfs/dbraw/zinc/29/05/95/386290595.db2.gz FAFWTWGYPFBQIG-MDZLAQPJSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[N@@H+](C)C1CC1 ZINC000336730902 386290599 /nfs/dbraw/zinc/29/05/99/386290599.db2.gz FAFWTWGYPFBQIG-MDZLAQPJSA-N 2 2 224.392 2.493 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC000133176162 386296221 /nfs/dbraw/zinc/29/62/21/386296221.db2.gz QNJVZVDFKYNQTC-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC000133176162 386296228 /nfs/dbraw/zinc/29/62/28/386296228.db2.gz QNJVZVDFKYNQTC-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCSCC[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000164791446 386301471 /nfs/dbraw/zinc/30/14/71/386301471.db2.gz FKBKTNPEEFAXPZ-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000088131463 386304341 /nfs/dbraw/zinc/30/43/41/386304341.db2.gz QPEAWWLVVBGFFF-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000289494837 386317963 /nfs/dbraw/zinc/31/79/63/386317963.db2.gz BUMVVKFRNOUYCV-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000289494837 386317968 /nfs/dbraw/zinc/31/79/68/386317968.db2.gz BUMVVKFRNOUYCV-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP CC(C)C[C@H](C)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933165 386322672 /nfs/dbraw/zinc/32/26/72/386322672.db2.gz DHIFWSMPEJYDBI-NSHDSACASA-N 2 2 221.348 2.450 20 0 BEADLP CC(C)C[C@H](C)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933165 386322677 /nfs/dbraw/zinc/32/26/77/386322677.db2.gz DHIFWSMPEJYDBI-NSHDSACASA-N 2 2 221.348 2.450 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccco1 ZINC000265273485 386323789 /nfs/dbraw/zinc/32/37/89/386323789.db2.gz UXANSANAVPMHQD-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccco1 ZINC000265273485 386323794 /nfs/dbraw/zinc/32/37/94/386323794.db2.gz UXANSANAVPMHQD-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000336651475 386267575 /nfs/dbraw/zinc/26/75/75/386267575.db2.gz VGODZSKVAUNKAI-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000336651475 386267577 /nfs/dbraw/zinc/26/75/77/386267577.db2.gz VGODZSKVAUNKAI-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCOCC1 ZINC000289180916 386268385 /nfs/dbraw/zinc/26/83/85/386268385.db2.gz FZSHDFFQLKTUJL-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)C1Cc2ccccc2C1 ZINC000414745540 386349225 /nfs/dbraw/zinc/34/92/25/386349225.db2.gz KYRMIQYQEHSYMI-UHFFFAOYSA-N 2 2 246.398 2.474 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)C1Cc2ccccc2C1 ZINC000414745540 386349229 /nfs/dbraw/zinc/34/92/29/386349229.db2.gz KYRMIQYQEHSYMI-UHFFFAOYSA-N 2 2 246.398 2.474 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000289973922 386379710 /nfs/dbraw/zinc/37/97/10/386379710.db2.gz BWYLXWLCGSNOOG-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)[nH]1 ZINC000276494058 386332506 /nfs/dbraw/zinc/33/25/06/386332506.db2.gz WDDTUZQHPHTPFW-STQMWFEESA-N 2 2 247.342 2.282 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)[nH]1 ZINC000276494058 386332509 /nfs/dbraw/zinc/33/25/09/386332509.db2.gz WDDTUZQHPHTPFW-STQMWFEESA-N 2 2 247.342 2.282 20 0 BEADLP Clc1sccc1C[NH2+]CCn1cc[nH+]c1 ZINC000336733046 386438516 /nfs/dbraw/zinc/43/85/16/386438516.db2.gz LZYREVGHQNSELI-UHFFFAOYSA-N 2 2 241.747 2.388 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000094078464 386443354 /nfs/dbraw/zinc/44/33/54/386443354.db2.gz RMPQGZKALXUFBW-UONOGXRCSA-N 2 2 236.334 2.474 20 0 BEADLP [NH3+]CCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000414754143 386391836 /nfs/dbraw/zinc/39/18/36/386391836.db2.gz NIDNLSMKDCPYFD-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+]CCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000414754143 386391840 /nfs/dbraw/zinc/39/18/40/386391840.db2.gz NIDNLSMKDCPYFD-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000414908081 386392398 /nfs/dbraw/zinc/39/23/98/386392398.db2.gz AYJQGIHLSASNJD-SWLSCSKDSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000414908197 386398477 /nfs/dbraw/zinc/39/84/77/386398477.db2.gz BCJAEAIBHWKCPY-JGOVJGDKSA-N 2 2 230.355 2.287 20 0 BEADLP COCC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000442664061 386413007 /nfs/dbraw/zinc/41/30/07/386413007.db2.gz LIFJLKACVNAGCS-STQMWFEESA-N 2 2 236.359 2.043 20 0 BEADLP COCC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000442664061 386413011 /nfs/dbraw/zinc/41/30/11/386413011.db2.gz LIFJLKACVNAGCS-STQMWFEESA-N 2 2 236.359 2.043 20 0 BEADLP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H](C)[NH3+] ZINC000442664108 386413064 /nfs/dbraw/zinc/41/30/64/386413064.db2.gz JBQIQKMZNJRZFW-NSHDSACASA-N 2 2 224.323 2.383 20 0 BEADLP CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](C)[NH3+] ZINC000442664108 386413066 /nfs/dbraw/zinc/41/30/66/386413066.db2.gz JBQIQKMZNJRZFW-NSHDSACASA-N 2 2 224.323 2.383 20 0 BEADLP Cc1cccnc1[C@H]([NH2+]C[C@H](C)[NH3+])C(C)C ZINC000442663814 386413984 /nfs/dbraw/zinc/41/39/84/386413984.db2.gz ULOVFJPNOVTQOW-NWDGAFQWSA-N 2 2 221.348 2.024 20 0 BEADLP COCC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000442664058 386414286 /nfs/dbraw/zinc/41/42/86/386414286.db2.gz LIFJLKACVNAGCS-OLZOCXBDSA-N 2 2 236.359 2.043 20 0 BEADLP COCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000442664058 386414288 /nfs/dbraw/zinc/41/42/88/386414288.db2.gz LIFJLKACVNAGCS-OLZOCXBDSA-N 2 2 236.359 2.043 20 0 BEADLP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)[NH3+])s1 ZINC000442664571 386419909 /nfs/dbraw/zinc/41/99/09/386419909.db2.gz KGLHAEVJGSMDEE-PSASIEDQSA-N 2 2 241.404 2.354 20 0 BEADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+])s1 ZINC000442664571 386419919 /nfs/dbraw/zinc/41/99/19/386419919.db2.gz KGLHAEVJGSMDEE-PSASIEDQSA-N 2 2 241.404 2.354 20 0 BEADLP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442663643 386420894 /nfs/dbraw/zinc/42/08/94/386420894.db2.gz HWBLQTPTTBEHCJ-RISCZKNCSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442663643 386420895 /nfs/dbraw/zinc/42/08/95/386420895.db2.gz HWBLQTPTTBEHCJ-RISCZKNCSA-N 2 2 234.343 2.179 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)CCO ZINC000290338607 386423446 /nfs/dbraw/zinc/42/34/46/386423446.db2.gz KWWHBBVVWHCVLG-UHFFFAOYSA-N 2 2 236.359 2.073 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000414762863 386425096 /nfs/dbraw/zinc/42/50/96/386425096.db2.gz LXXUULWSJPZYKN-QWHCGFSZSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000414762863 386425100 /nfs/dbraw/zinc/42/51/00/386425100.db2.gz LXXUULWSJPZYKN-QWHCGFSZSA-N 2 2 242.407 2.107 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000290404496 386429256 /nfs/dbraw/zinc/42/92/56/386429256.db2.gz JPMZOKUSWXMWPS-QWHCGFSZSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000290404496 386429261 /nfs/dbraw/zinc/42/92/61/386429261.db2.gz JPMZOKUSWXMWPS-QWHCGFSZSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290404496 386429265 /nfs/dbraw/zinc/42/92/65/386429265.db2.gz JPMZOKUSWXMWPS-QWHCGFSZSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000290404496 386429268 /nfs/dbraw/zinc/42/92/68/386429268.db2.gz JPMZOKUSWXMWPS-QWHCGFSZSA-N 2 2 236.359 2.360 20 0 BEADLP C[N@H+](Cc1cccc(F)c1F)CC(C)(C)C[NH3+] ZINC000093861219 386431429 /nfs/dbraw/zinc/43/14/29/386431429.db2.gz GNIQPVLMYKVKBN-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1F)CC(C)(C)C[NH3+] ZINC000093861219 386431433 /nfs/dbraw/zinc/43/14/33/386431433.db2.gz GNIQPVLMYKVKBN-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC12CCCC2 ZINC000336735816 386470118 /nfs/dbraw/zinc/47/01/18/386470118.db2.gz ONRICXNYQFMBEL-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)[NH+](CC)CC ZINC000266837941 386473123 /nfs/dbraw/zinc/47/31/23/386473123.db2.gz MTICSPNEJKLDBV-ZDUSSCGKSA-N 2 2 249.358 2.449 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336742076 386475059 /nfs/dbraw/zinc/47/50/59/386475059.db2.gz WGWHEOLDKVOOJT-KGYLQXTDSA-N 2 2 210.365 2.105 20 0 BEADLP CCCc1csc(C[NH2+]CCC[NH+](C)C)n1 ZINC000336778816 386475666 /nfs/dbraw/zinc/47/56/66/386475666.db2.gz MKLFDAXGEVIYCK-UHFFFAOYSA-N 2 2 241.404 2.137 20 0 BEADLP CC[C@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@H]1[NH3+] ZINC000647934966 386482674 /nfs/dbraw/zinc/48/26/74/386482674.db2.gz VSJZNONVKLLLHV-CMPLNLGQSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@H]1[NH3+] ZINC000647934966 386482680 /nfs/dbraw/zinc/48/26/80/386482680.db2.gz VSJZNONVKLLLHV-CMPLNLGQSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC[C@H]1[NH3+] ZINC000647934686 386483093 /nfs/dbraw/zinc/48/30/93/386483093.db2.gz MQXNLTCJVDJCPY-QJPTWQEYSA-N 2 2 237.347 2.103 20 0 BEADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC[C@H]1[NH3+] ZINC000647934686 386483096 /nfs/dbraw/zinc/48/30/96/386483096.db2.gz MQXNLTCJVDJCPY-QJPTWQEYSA-N 2 2 237.347 2.103 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417350723 386489731 /nfs/dbraw/zinc/48/97/31/386489731.db2.gz BASRWZCKLUPQRT-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000417351493 386490383 /nfs/dbraw/zinc/49/03/83/386490383.db2.gz CVKNCOABNJDTTB-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)[C@H](C)[NH3+] ZINC000415013383 386495847 /nfs/dbraw/zinc/49/58/47/386495847.db2.gz UWDHDMULLFCTDT-DTWKUNHWSA-N 2 2 236.290 2.397 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H](C)C[NH3+])c2ccccc2n1 ZINC000135295146 386498960 /nfs/dbraw/zinc/49/89/60/386498960.db2.gz WXYWIEIOUZKIPS-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H](C)C[NH3+])c2ccccc2n1 ZINC000135295146 386498965 /nfs/dbraw/zinc/49/89/65/386498965.db2.gz WXYWIEIOUZKIPS-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415016125 386500089 /nfs/dbraw/zinc/50/00/89/386500089.db2.gz ZSMCTTBWOTVXMD-BDAKNGLRSA-N 2 2 241.404 2.266 20 0 BEADLP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H](C)[NH3+] ZINC000415014279 386500290 /nfs/dbraw/zinc/50/02/90/386500290.db2.gz WJDRDZDQUGCXNU-VHSXEESVSA-N 2 2 218.300 2.258 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000415048962 386505955 /nfs/dbraw/zinc/50/59/55/386505955.db2.gz GWKFWTCRVAFFCN-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414784785 386517975 /nfs/dbraw/zinc/51/79/75/386517975.db2.gz LIFCMEKNIVLGBE-IAQYHMDHSA-N 2 2 248.370 2.179 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414784785 386517978 /nfs/dbraw/zinc/51/79/78/386517978.db2.gz LIFCMEKNIVLGBE-IAQYHMDHSA-N 2 2 248.370 2.179 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC2(CC2)CC1 ZINC000336727628 386463526 /nfs/dbraw/zinc/46/35/26/386463526.db2.gz HNKLAKNQIJNHFG-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000414798495 386583111 /nfs/dbraw/zinc/58/31/11/386583111.db2.gz JJIKXVKGWQKLHT-ZDUSSCGKSA-N 2 2 230.311 2.260 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000415082515 386598647 /nfs/dbraw/zinc/59/86/47/386598647.db2.gz OMWSTMRADMRRBW-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000414801354 386591269 /nfs/dbraw/zinc/59/12/69/386591269.db2.gz LVFPPDVSELLURM-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000228658547 386596192 /nfs/dbraw/zinc/59/61/92/386596192.db2.gz HSZYXKFVDOTASV-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000228658547 386596198 /nfs/dbraw/zinc/59/61/98/386596198.db2.gz HSZYXKFVDOTASV-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP Nc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000228053163 386535810 /nfs/dbraw/zinc/53/58/10/386535810.db2.gz BCVLDQAFDUAHQT-CHWSQXEVSA-N 2 2 231.343 2.428 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)on1 ZINC000267399821 386537389 /nfs/dbraw/zinc/53/73/89/386537389.db2.gz FSESPCFWVNDAJY-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)on1 ZINC000267399821 386537395 /nfs/dbraw/zinc/53/73/95/386537395.db2.gz FSESPCFWVNDAJY-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1F ZINC000415057166 386537622 /nfs/dbraw/zinc/53/76/22/386537622.db2.gz RDGVLOIAJJKKQA-LBPRGKRZSA-N 2 2 224.323 2.289 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1F ZINC000415064251 386544130 /nfs/dbraw/zinc/54/41/30/386544130.db2.gz CCZBNBDZAHXUFZ-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)c(F)cc1F ZINC000414791333 386546359 /nfs/dbraw/zinc/54/63/59/386546359.db2.gz HQMFOQPKOFOSIJ-GFCCVEGCSA-N 2 2 246.276 2.177 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC[NH2+]C2CC2)c[nH+]1 ZINC000415067059 386546987 /nfs/dbraw/zinc/54/69/87/386546987.db2.gz JXMTUAPNACKUKK-UHFFFAOYSA-N 3 2 247.386 2.054 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCOCC1 ZINC000415064769 386547037 /nfs/dbraw/zinc/54/70/37/386547037.db2.gz LPXIBQKBOAVJFX-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CC(C)C ZINC000415065490 386547614 /nfs/dbraw/zinc/54/76/14/386547614.db2.gz MWUNYZFNNNTICV-CQSZACIVSA-N 2 2 220.360 2.494 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000414802611 386597172 /nfs/dbraw/zinc/59/71/72/386597172.db2.gz ILDASROHLDZGHR-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000414791492 386550215 /nfs/dbraw/zinc/55/02/15/386550215.db2.gz BIDYEBFHSREMNI-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000063191824 386553033 /nfs/dbraw/zinc/55/30/33/386553033.db2.gz LKXQZYCEWUPFSB-RISCZKNCSA-N 2 2 234.343 2.094 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000063191824 386553036 /nfs/dbraw/zinc/55/30/36/386553036.db2.gz LKXQZYCEWUPFSB-RISCZKNCSA-N 2 2 234.343 2.094 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000063195714 386553171 /nfs/dbraw/zinc/55/31/71/386553171.db2.gz YHIGBASLWSRKHM-ZFWWWQNUSA-N 2 2 248.370 2.267 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000063195714 386553173 /nfs/dbraw/zinc/55/31/73/386553173.db2.gz YHIGBASLWSRKHM-ZFWWWQNUSA-N 2 2 248.370 2.267 20 0 BEADLP CC(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000054556396 386556760 /nfs/dbraw/zinc/55/67/60/386556760.db2.gz XOLZPLLUGQOKJW-JXQTWKCFSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000054556396 386556767 /nfs/dbraw/zinc/55/67/67/386556767.db2.gz XOLZPLLUGQOKJW-JXQTWKCFSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000415072953 386560422 /nfs/dbraw/zinc/56/04/22/386560422.db2.gz XOUYFCLHFBWPIX-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123471776 386566254 /nfs/dbraw/zinc/56/62/54/386566254.db2.gz IPKGNDKYZSTUIF-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123471776 386566259 /nfs/dbraw/zinc/56/62/59/386566259.db2.gz IPKGNDKYZSTUIF-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414796466 386567107 /nfs/dbraw/zinc/56/71/07/386567107.db2.gz BTNBPGFNJHOGNL-UHFFFAOYSA-N 2 2 230.714 2.306 20 0 BEADLP C[N@H+](CC[NH3+])CCCc1c(F)cccc1Cl ZINC000415111218 386620606 /nfs/dbraw/zinc/62/06/06/386620606.db2.gz QHVXXEDDKRPOHD-UHFFFAOYSA-N 2 2 244.741 2.302 20 0 BEADLP C[N@@H+](CC[NH3+])CCCc1c(F)cccc1Cl ZINC000415111218 386620612 /nfs/dbraw/zinc/62/06/12/386620612.db2.gz QHVXXEDDKRPOHD-UHFFFAOYSA-N 2 2 244.741 2.302 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000520254398 386621775 /nfs/dbraw/zinc/62/17/75/386621775.db2.gz UZFPTWLBSQBCPA-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000520254398 386621783 /nfs/dbraw/zinc/62/17/83/386621783.db2.gz UZFPTWLBSQBCPA-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498098 386622587 /nfs/dbraw/zinc/62/25/87/386622587.db2.gz CTCDXKJIEMTFIQ-GXSJLCMTSA-N 2 2 247.367 2.309 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(O)c1 ZINC000335498354 386623210 /nfs/dbraw/zinc/62/32/10/386623210.db2.gz KONFWDHBVWYSKB-AAEUAGOBSA-N 2 2 234.343 2.185 20 0 BEADLP Cc1cc2cc(C[N@H+](C)CC[NH3+])oc2cc1C ZINC000415104191 386624604 /nfs/dbraw/zinc/62/46/04/386624604.db2.gz GTGXBFHABHTLLM-UHFFFAOYSA-N 2 2 232.327 2.440 20 0 BEADLP Cc1cc2cc(C[N@@H+](C)CC[NH3+])oc2cc1C ZINC000415104191 386624608 /nfs/dbraw/zinc/62/46/08/386624608.db2.gz GTGXBFHABHTLLM-UHFFFAOYSA-N 2 2 232.327 2.440 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cnc(C(C)C)s1 ZINC000415139952 386638768 /nfs/dbraw/zinc/63/87/68/386638768.db2.gz YCZSEVNCWYHMKB-UHFFFAOYSA-N 2 2 241.404 2.308 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(C(C)C)s1 ZINC000415139952 386638774 /nfs/dbraw/zinc/63/87/74/386638774.db2.gz YCZSEVNCWYHMKB-UHFFFAOYSA-N 2 2 241.404 2.308 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336782411 386642902 /nfs/dbraw/zinc/64/29/02/386642902.db2.gz XNSCLQXKKSYJFO-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415092894 386610571 /nfs/dbraw/zinc/61/05/71/386610571.db2.gz UGOJEYDCYADUSH-CYBMUJFWSA-N 2 2 244.338 2.317 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820356 386665645 /nfs/dbraw/zinc/66/56/45/386665645.db2.gz AOBWHEWOOOUENN-SMGNDMQFSA-N 2 2 216.328 2.041 20 0 BEADLP CCC[C@]1([NH2+]CC[NH+]2CCCCC2)CCOC1 ZINC000352835676 386679975 /nfs/dbraw/zinc/67/99/75/386679975.db2.gz ZJVJUYYWRSPTRC-AWEZNQCLSA-N 2 2 240.391 2.021 20 0 BEADLP Cc1ccc(NC2CCC([NH3+])CC2)c[nH+]1 ZINC000062950642 386656648 /nfs/dbraw/zinc/65/66/48/386656648.db2.gz DXZBZQNJCMXTBC-UHFFFAOYSA-N 2 2 205.305 2.072 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccnc1 ZINC000268706992 386684669 /nfs/dbraw/zinc/68/46/69/386684669.db2.gz FAEPTFUOUJQLGW-HUBLWGQQSA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccnc1 ZINC000268706992 386684673 /nfs/dbraw/zinc/68/46/73/386684673.db2.gz FAEPTFUOUJQLGW-HUBLWGQQSA-N 2 2 245.370 2.215 20 0 BEADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CCCO2 ZINC000335468555 386685916 /nfs/dbraw/zinc/68/59/16/386685916.db2.gz UEGOOIXJDNSHES-TZMCWYRMSA-N 2 2 248.370 2.454 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CCCO2 ZINC000335468275 386686542 /nfs/dbraw/zinc/68/65/42/386686542.db2.gz PCQXEBPGBMFFSM-YPMHNXCESA-N 2 2 234.343 2.146 20 0 BEADLP [NH3+][C@@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000414825001 386686872 /nfs/dbraw/zinc/68/68/72/386686872.db2.gz BPBHMSVLXIDUBA-YPMHNXCESA-N 2 2 236.384 2.029 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccc(Cl)c2cccnc12 ZINC000161620645 386695299 /nfs/dbraw/zinc/69/52/99/386695299.db2.gz WSKHFEZNBGVCIY-UHFFFAOYSA-N 2 2 249.745 2.279 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccc(Cl)c2cccnc12 ZINC000161620645 386695314 /nfs/dbraw/zinc/69/53/14/386695314.db2.gz WSKHFEZNBGVCIY-UHFFFAOYSA-N 2 2 249.745 2.279 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000279536914 386697796 /nfs/dbraw/zinc/69/77/96/386697796.db2.gz ABFNBZBSLDSHCZ-LBPRGKRZSA-N 2 2 244.342 2.012 20 0 BEADLP Cc1cc[nH+]c(N(C)CCCn2cc[nH+]c2)c1 ZINC000269003423 386735821 /nfs/dbraw/zinc/73/58/21/386735821.db2.gz YVPLIWDFIXOQPA-UHFFFAOYSA-N 2 2 230.315 2.113 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414838660 386739166 /nfs/dbraw/zinc/73/91/66/386739166.db2.gz ZEIFSDWHLCFDKE-CYBMUJFWSA-N 2 2 238.762 2.006 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000335486007 386717068 /nfs/dbraw/zinc/71/70/68/386717068.db2.gz DURWWXDUNNRFBY-ABAIWWIYSA-N 2 2 246.354 2.119 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414835584 386726981 /nfs/dbraw/zinc/72/69/81/386726981.db2.gz VFDFKIHWNCHLHX-UHFFFAOYSA-N 2 2 226.389 2.355 20 0 BEADLP C[C@H](CNc1[nH+]ccc2cc(F)ccc21)[NH+](C)C ZINC000645139693 386746782 /nfs/dbraw/zinc/74/67/82/386746782.db2.gz PLFHTVNGGKIMDO-SNVBAGLBSA-N 2 2 247.317 2.158 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000336761076 386753220 /nfs/dbraw/zinc/75/32/20/386753220.db2.gz MHKJOWUGZUQXBL-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000336761076 386753222 /nfs/dbraw/zinc/75/32/22/386753222.db2.gz MHKJOWUGZUQXBL-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000050885454 386757570 /nfs/dbraw/zinc/75/75/70/386757570.db2.gz WGMIHRHZJRLYKL-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000050885454 386757577 /nfs/dbraw/zinc/75/75/77/386757577.db2.gz WGMIHRHZJRLYKL-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839312 386743664 /nfs/dbraw/zinc/74/36/64/386743664.db2.gz VYQOOWUMTRCRPP-XBFCOCLRSA-N 2 2 218.344 2.465 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000020248445 386789471 /nfs/dbraw/zinc/78/94/71/386789471.db2.gz IJBPLWVOZBVUKG-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000020248445 386789478 /nfs/dbraw/zinc/78/94/78/386789478.db2.gz IJBPLWVOZBVUKG-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414932823 386778726 /nfs/dbraw/zinc/77/87/26/386778726.db2.gz STRLOKCDFYVRKI-SNVBAGLBSA-N 2 2 247.367 2.247 20 0 BEADLP C[NH+](C)CC1([NH2+]C[C@@H]2CC=CCC2)CCC1 ZINC000336761702 386800569 /nfs/dbraw/zinc/80/05/69/386800569.db2.gz KPAHSXZREAPUSD-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1F ZINC000414934767 386801296 /nfs/dbraw/zinc/80/12/96/386801296.db2.gz TVPNZLGXYPJREA-RISCZKNCSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000414935084 386803318 /nfs/dbraw/zinc/80/33/18/386803318.db2.gz UGAUVQJDDJFGHM-GWCFXTLKSA-N 2 2 238.762 2.428 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414935702 386813172 /nfs/dbraw/zinc/81/31/72/386813172.db2.gz UOSCNURYOUSKJC-HIFRSBDPSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000357777791 386844052 /nfs/dbraw/zinc/84/40/52/386844052.db2.gz JOXBZTDATMHBCT-ZDUSSCGKSA-N 2 2 233.359 2.136 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000336674494 386853059 /nfs/dbraw/zinc/85/30/59/386853059.db2.gz AVKYMWVAEVJZHW-UHFFFAOYSA-N 2 2 244.448 2.451 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000336674494 386853065 /nfs/dbraw/zinc/85/30/65/386853065.db2.gz AVKYMWVAEVJZHW-UHFFFAOYSA-N 2 2 244.448 2.451 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000414938923 386866195 /nfs/dbraw/zinc/86/61/95/386866195.db2.gz WLMVBKQGUSHQKX-IUODEOHRSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1c[nH+]c(CNc2cc(C)cc(C)[nH+]2)n1C ZINC000341260621 386869854 /nfs/dbraw/zinc/86/98/54/386869854.db2.gz OTEUXWSFMRFOOT-UHFFFAOYSA-N 2 2 230.315 2.352 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414941551 386885250 /nfs/dbraw/zinc/88/52/50/386885250.db2.gz IWURBNVYTPRATD-VIFPVBQESA-N 2 2 239.388 2.238 20 0 BEADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000334843913 386890540 /nfs/dbraw/zinc/89/05/40/386890540.db2.gz REBMSPSIWMBARQ-RNCFNFMXSA-N 2 2 236.746 2.279 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334861762 386915073 /nfs/dbraw/zinc/91/50/73/386915073.db2.gz GYMASLXZKMRNPQ-NOZJJQNGSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1ccc(NC[C@@H]2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000334847955 386895859 /nfs/dbraw/zinc/89/58/59/386895859.db2.gz HARFAFOXKQDDPK-VXGBXAGGSA-N 2 2 219.332 2.190 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334850130 386898903 /nfs/dbraw/zinc/89/89/03/386898903.db2.gz SHKKHTIDCCLLTQ-CYBMUJFWSA-N 2 2 218.344 2.145 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CS1 ZINC000334854878 386906791 /nfs/dbraw/zinc/90/67/91/386906791.db2.gz VFMPNNRVCGBQRM-MNOVXSKESA-N 2 2 247.367 2.318 20 0 BEADLP CCC1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000336762288 386912837 /nfs/dbraw/zinc/91/28/37/386912837.db2.gz NPISSPKXLZPZPK-UHFFFAOYSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334819788 386947182 /nfs/dbraw/zinc/94/71/82/386947182.db2.gz JHRMVKQBEATKLA-ZANVPECISA-N 2 2 240.297 2.195 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000334864482 386920421 /nfs/dbraw/zinc/92/04/21/386920421.db2.gz GCJYLCXWBALUQP-FZMZJTMJSA-N 2 2 246.354 2.024 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000334869849 386931238 /nfs/dbraw/zinc/93/12/38/386931238.db2.gz PQKJGSJAOKPYBS-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000334869849 386931242 /nfs/dbraw/zinc/93/12/42/386931242.db2.gz PQKJGSJAOKPYBS-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334875106 386936219 /nfs/dbraw/zinc/93/62/19/386936219.db2.gz SSFGUCPVHJGFMB-GFCCVEGCSA-N 2 2 240.297 2.195 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334875107 386936848 /nfs/dbraw/zinc/93/68/48/386936848.db2.gz SSFGUCPVHJGFMB-LBPRGKRZSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000334875088 386937548 /nfs/dbraw/zinc/93/75/48/386937548.db2.gz SEUZHAPZWAYJMX-CYBMUJFWSA-N 2 2 218.344 2.225 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000425354268 386963143 /nfs/dbraw/zinc/96/31/43/386963143.db2.gz JRHVCQNLQJIUHT-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000425355345 386965285 /nfs/dbraw/zinc/96/52/85/386965285.db2.gz LBGOFVAXWMIJNA-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000425355345 386965288 /nfs/dbraw/zinc/96/52/88/386965288.db2.gz LBGOFVAXWMIJNA-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CS1 ZINC000336763519 386968922 /nfs/dbraw/zinc/96/89/22/386968922.db2.gz PGSJUWBQXJDIKG-UTUOFQBUSA-N 2 2 230.421 2.056 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000514591067 387008067 /nfs/dbraw/zinc/00/80/67/387008067.db2.gz YBVKNPUODNDOHY-GFCCVEGCSA-N 2 2 208.349 2.169 20 0 BEADLP Cc1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)co1 ZINC000647966181 386988042 /nfs/dbraw/zinc/98/80/42/386988042.db2.gz DYKNNAKJSSLKMD-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227605297 387056083 /nfs/dbraw/zinc/05/60/83/387056083.db2.gz VESDSDPLAUHMIS-MRVWCRGKSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000053201467 387020641 /nfs/dbraw/zinc/02/06/41/387020641.db2.gz WKSUEWWGIUZVFL-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000053201467 387020645 /nfs/dbraw/zinc/02/06/45/387020645.db2.gz WKSUEWWGIUZVFL-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C/C(Cl)=C\C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528389629 387026716 /nfs/dbraw/zinc/02/67/16/387026716.db2.gz UIFDKDRHYFXHED-IGEMTJHASA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C\C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528389629 387026722 /nfs/dbraw/zinc/02/67/22/387026722.db2.gz UIFDKDRHYFXHED-IGEMTJHASA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C\C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000528389629 387026724 /nfs/dbraw/zinc/02/67/24/387026724.db2.gz UIFDKDRHYFXHED-IGEMTJHASA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C\C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000528389629 387026730 /nfs/dbraw/zinc/02/67/30/387026730.db2.gz UIFDKDRHYFXHED-IGEMTJHASA-N 2 2 230.783 2.403 20 0 BEADLP Cc1cc(NCc2cc(C)[nH+]c(C)c2)cc[nH+]1 ZINC000334985117 387073609 /nfs/dbraw/zinc/07/36/09/387073609.db2.gz CMFRCOGYIYAYAT-UHFFFAOYSA-N 2 2 227.311 2.436 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000070892871 387078010 /nfs/dbraw/zinc/07/80/10/387078010.db2.gz BSDCVZJVEDDLRF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000070892871 387078014 /nfs/dbraw/zinc/07/80/14/387078014.db2.gz BSDCVZJVEDDLRF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000070892446 387079062 /nfs/dbraw/zinc/07/90/62/387079062.db2.gz NBPOLOYHPJDSCE-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000070892446 387079069 /nfs/dbraw/zinc/07/90/69/387079069.db2.gz NBPOLOYHPJDSCE-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+](C)C ZINC000336765778 387083816 /nfs/dbraw/zinc/08/38/16/387083816.db2.gz RNDDOMVCQBMQLG-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000336766153 387102597 /nfs/dbraw/zinc/10/25/97/387102597.db2.gz RIACPNCLAMBDQG-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400565878 387118153 /nfs/dbraw/zinc/11/81/53/387118153.db2.gz MIYWZMCKQWKPCO-JQWIXIFHSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000335028038 387120887 /nfs/dbraw/zinc/12/08/87/387120887.db2.gz RUUCECJVBGJKRS-WCBMZHEXSA-N 2 2 242.725 2.492 20 0 BEADLP Cc1cccc(CC[NH2+]CC[NH+]2CCCC2)c1 ZINC000228828263 387122187 /nfs/dbraw/zinc/12/21/87/387122187.db2.gz MXDBPYDERJBUIK-UHFFFAOYSA-N 2 2 232.371 2.223 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000336766847 387126547 /nfs/dbraw/zinc/12/65/47/387126547.db2.gz RXNLRXNHQXRHBY-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000336766847 387126550 /nfs/dbraw/zinc/12/65/50/387126550.db2.gz RXNLRXNHQXRHBY-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423308753 387144440 /nfs/dbraw/zinc/14/44/40/387144440.db2.gz JWNBDPMUJLDJAO-CQSZACIVSA-N 2 2 235.375 2.368 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1cccs1 ZINC000423312236 387149309 /nfs/dbraw/zinc/14/93/09/387149309.db2.gz CYDGWVRKCSNZHL-LLVKDONJSA-N 2 2 242.388 2.025 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2OC ZINC000423312930 387150952 /nfs/dbraw/zinc/15/09/52/387150952.db2.gz SXRMBHBUIKNEJN-AWEZNQCLSA-N 2 2 248.370 2.272 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423313516 387151959 /nfs/dbraw/zinc/15/19/59/387151959.db2.gz UONZLHWSBWLAOU-CQSZACIVSA-N 2 2 236.334 2.402 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423314381 387153512 /nfs/dbraw/zinc/15/35/12/387153512.db2.gz GXLUWDZIDTTXFJ-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cncc(C)c1 ZINC000423314980 387154108 /nfs/dbraw/zinc/15/41/08/387154108.db2.gz XBMKBNOWCFAWGE-GFCCVEGCSA-N 2 2 221.348 2.040 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cnccc1C ZINC000423316091 387157090 /nfs/dbraw/zinc/15/70/90/387157090.db2.gz XYAJRSAXPRFLGZ-GFCCVEGCSA-N 2 2 221.348 2.040 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC1 ZINC000322445157 259706822 /nfs/dbraw/zinc/70/68/22/259706822.db2.gz GMUKPBCFJMKXSQ-WCQYABFASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(F)c1F ZINC000423321128 387162797 /nfs/dbraw/zinc/16/27/97/387162797.db2.gz MUBSXLDCMJEWTQ-PRHODGIISA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000193126788 387168556 /nfs/dbraw/zinc/16/85/56/387168556.db2.gz ZPCIUTGSVGNKDN-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000193126788 387168561 /nfs/dbraw/zinc/16/85/61/387168561.db2.gz ZPCIUTGSVGNKDN-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cn1 ZINC000423330640 387175350 /nfs/dbraw/zinc/17/53/50/387175350.db2.gz PMPMGMPXUQRCBL-LLVKDONJSA-N 2 2 237.322 2.143 20 0 BEADLP CC(C)C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccn1 ZINC000423331888 387178535 /nfs/dbraw/zinc/17/85/35/387178535.db2.gz UXXNEHWEANAIDK-HIFRSBDPSA-N 2 2 247.386 2.496 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423332668 387178596 /nfs/dbraw/zinc/17/85/96/387178596.db2.gz QYBYVSVIKJVSDN-NXEZZACHSA-N 2 2 224.373 2.406 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])s1 ZINC000423331981 387178973 /nfs/dbraw/zinc/17/89/73/387178973.db2.gz QOQNKXBPHPUIBP-SFYZADRCSA-N 2 2 227.377 2.012 20 0 BEADLP CC(C)C[C@H]([NH2+][C@H](C)C[NH3+])c1ccccn1 ZINC000423338567 387188443 /nfs/dbraw/zinc/18/84/43/387188443.db2.gz WDNLXJNHKVSKKS-YPMHNXCESA-N 2 2 221.348 2.106 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423343379 387191815 /nfs/dbraw/zinc/19/18/15/387191815.db2.gz WDAVOZZVJCFBGN-MGPQQGTHSA-N 2 2 242.407 2.027 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000423305185 387138726 /nfs/dbraw/zinc/13/87/26/387138726.db2.gz BHNYCPVWXUFMLL-NSHDSACASA-N 2 2 224.323 2.476 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(F)c1 ZINC000423305184 387139249 /nfs/dbraw/zinc/13/92/49/387139249.db2.gz BHNYCPVWXUFMLL-LLVKDONJSA-N 2 2 224.323 2.476 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1Cl ZINC000162028024 387209334 /nfs/dbraw/zinc/20/93/34/387209334.db2.gz MYUXOUOGAVHZJB-SECBINFHSA-N 2 2 212.724 2.085 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000423357928 387209653 /nfs/dbraw/zinc/20/96/53/387209653.db2.gz IZSZTSNDKZSDBW-ZMLRMANQSA-N 2 2 222.332 2.237 20 0 BEADLP COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])oc21 ZINC000423359235 387210794 /nfs/dbraw/zinc/21/07/94/387210794.db2.gz DAVCCACEUVSAFF-VHSXEESVSA-N 2 2 248.326 2.439 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423365110 387214838 /nfs/dbraw/zinc/21/48/38/387214838.db2.gz PFGXDUZJCWUSBV-HUBLWGQQSA-N 2 2 248.370 2.344 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423364793 387215304 /nfs/dbraw/zinc/21/53/04/387215304.db2.gz JXOYYOZKCQSXBH-WCQYABFASA-N 2 2 236.359 2.392 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2ccccc2o1 ZINC000423428072 387252910 /nfs/dbraw/zinc/25/29/10/387252910.db2.gz JALUJBWYHGOTBG-APAOZMKASA-N 2 2 242.322 2.301 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000353523976 387220669 /nfs/dbraw/zinc/22/06/69/387220669.db2.gz VFZYTAPMCDJNOV-STQMWFEESA-N 2 2 235.375 2.381 20 0 BEADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423368370 387221125 /nfs/dbraw/zinc/22/11/25/387221125.db2.gz ZNPGFDHRNHFRFM-PSOPSSQASA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336395315 387222597 /nfs/dbraw/zinc/22/25/97/387222597.db2.gz OCURJNVYXLGEDM-LBPRGKRZSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336395315 387222600 /nfs/dbraw/zinc/22/26/00/387222600.db2.gz OCURJNVYXLGEDM-LBPRGKRZSA-N 2 2 245.326 2.311 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423371271 387224643 /nfs/dbraw/zinc/22/46/43/387224643.db2.gz UYTYNZVEZBXIPM-SGMGOOAPSA-N 2 2 247.386 2.293 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000336396236 387224736 /nfs/dbraw/zinc/22/47/36/387224736.db2.gz GOBSMCJOILXTSW-UWVGGRQHSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000336396236 387224737 /nfs/dbraw/zinc/22/47/37/387224737.db2.gz GOBSMCJOILXTSW-UWVGGRQHSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000336396237 387225601 /nfs/dbraw/zinc/22/56/01/387225601.db2.gz GOBSMCJOILXTSW-VHSXEESVSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000336396237 387225604 /nfs/dbraw/zinc/22/56/04/387225604.db2.gz GOBSMCJOILXTSW-VHSXEESVSA-N 2 2 231.299 2.211 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)n1 ZINC000643497126 387226070 /nfs/dbraw/zinc/22/60/70/387226070.db2.gz YZBJZQGWPIDMIB-OLZOCXBDSA-N 2 2 233.359 2.101 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccncc1 ZINC000423372290 387226601 /nfs/dbraw/zinc/22/66/01/387226601.db2.gz AYKPBJQKWVYGMH-YPMHNXCESA-N 2 2 221.348 2.120 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423401513 387237889 /nfs/dbraw/zinc/23/78/89/387237889.db2.gz QYBYVSVIKJVSDN-UWVGGRQHSA-N 2 2 224.373 2.406 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000423403076 387238772 /nfs/dbraw/zinc/23/87/72/387238772.db2.gz YBUVAEVOPJPIOJ-VWYCJHECSA-N 2 2 208.305 2.071 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C2 ZINC000353606009 387240704 /nfs/dbraw/zinc/24/07/04/387240704.db2.gz CXBJSKNNBLBFRG-JHJVBQTASA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)CC2 ZINC000353606009 387240710 /nfs/dbraw/zinc/24/07/10/387240710.db2.gz CXBJSKNNBLBFRG-JHJVBQTASA-N 2 2 245.370 2.435 20 0 BEADLP COC[C@@]1(C[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000423414823 387248679 /nfs/dbraw/zinc/24/86/79/387248679.db2.gz COKBKHUEXDNRSK-HIFRSBDPSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)nc1 ZINC000230220040 387249364 /nfs/dbraw/zinc/24/93/64/387249364.db2.gz UTRBHYPGRDRWRP-UHFFFAOYSA-N 2 2 235.375 2.210 20 0 BEADLP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)nc1 ZINC000230220040 387249368 /nfs/dbraw/zinc/24/93/68/387249368.db2.gz UTRBHYPGRDRWRP-UHFFFAOYSA-N 2 2 235.375 2.210 20 0 BEADLP CSC1(C[N@@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000300363205 387201736 /nfs/dbraw/zinc/20/17/36/387201736.db2.gz GTASBGAKWNQOPQ-LBPRGKRZSA-N 2 2 240.416 2.052 20 0 BEADLP CSC1(C[N@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000300363205 387201739 /nfs/dbraw/zinc/20/17/39/387201739.db2.gz GTASBGAKWNQOPQ-LBPRGKRZSA-N 2 2 240.416 2.052 20 0 BEADLP CSC1(C[NH+]2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000300363205 387201742 /nfs/dbraw/zinc/20/17/42/387201742.db2.gz GTASBGAKWNQOPQ-LBPRGKRZSA-N 2 2 240.416 2.052 20 0 BEADLP CSC1(C[NH+]2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300363205 387201747 /nfs/dbraw/zinc/20/17/47/387201747.db2.gz GTASBGAKWNQOPQ-LBPRGKRZSA-N 2 2 240.416 2.052 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423462638 387310484 /nfs/dbraw/zinc/31/04/84/387310484.db2.gz KXGLSSFRKRRPQB-RKDXNWHRSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1F ZINC000423466379 387314848 /nfs/dbraw/zinc/31/48/48/387314848.db2.gz NLILXBKFJBZLAK-NXEZZACHSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccs1 ZINC000423374506 387254310 /nfs/dbraw/zinc/25/43/10/387254310.db2.gz XBBYZSCPYVAMCK-GARJFASQSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccs1 ZINC000423374505 387254957 /nfs/dbraw/zinc/25/49/57/387254957.db2.gz XBBYZSCPYVAMCK-DCAQKATOSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc2ccccc2n1 ZINC000423375595 387256031 /nfs/dbraw/zinc/25/60/31/387256031.db2.gz UGHCKLDILHPAPF-WDEREUQCSA-N 2 2 229.327 2.233 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423378282 387260805 /nfs/dbraw/zinc/26/08/05/387260805.db2.gz KSGSBPFOQMTQCM-YGRLFVJLSA-N 2 2 236.334 2.401 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423382858 387265427 /nfs/dbraw/zinc/26/54/27/387265427.db2.gz OTFAGQONOMZYGL-NEPJUHHUSA-N 2 2 238.379 2.113 20 0 BEADLP CCC[C@H]([NH2+]C[C@H]([NH3+])CC)c1ccccn1 ZINC000423470888 387317587 /nfs/dbraw/zinc/31/75/87/387317587.db2.gz PKCYFXGONGQAOX-NEPJUHHUSA-N 2 2 221.348 2.250 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000423388945 387273159 /nfs/dbraw/zinc/27/31/59/387273159.db2.gz UOZCXCHRYLAFBX-ATZCPNFKSA-N 2 2 239.388 2.243 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000423389973 387273906 /nfs/dbraw/zinc/27/39/06/387273906.db2.gz VLTKVCCTIULERM-GHMZBOCLSA-N 2 2 224.323 2.474 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000336446159 387275813 /nfs/dbraw/zinc/27/58/13/387275813.db2.gz YMFHQNGMISKHOX-NSHDSACASA-N 2 2 247.367 2.471 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000336446159 387275816 /nfs/dbraw/zinc/27/58/16/387275816.db2.gz YMFHQNGMISKHOX-NSHDSACASA-N 2 2 247.367 2.471 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2C)n1C ZINC000514734484 387282273 /nfs/dbraw/zinc/28/22/73/387282273.db2.gz DDTBSHMXYBFYAL-ZYHUDNBSSA-N 2 2 221.348 2.254 20 0 BEADLP CC[NH2+]CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000643499038 387283792 /nfs/dbraw/zinc/28/37/92/387283792.db2.gz NSRUCXUDLBWDJC-VIFPVBQESA-N 2 2 241.404 2.410 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423438189 387288640 /nfs/dbraw/zinc/28/86/40/387288640.db2.gz GYCGKSXRKADEEQ-VGMNWLOBSA-N 2 2 228.286 2.351 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])o1 ZINC000423440313 387289861 /nfs/dbraw/zinc/28/98/61/387289861.db2.gz IMRLTDQGNXKVEE-UTLUCORTSA-N 2 2 210.321 2.228 20 0 BEADLP Cc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)o1 ZINC000423440537 387291255 /nfs/dbraw/zinc/29/12/55/387291255.db2.gz TYWAXUOPRBLYKT-MYZSUADSSA-N 2 2 246.354 2.237 20 0 BEADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423443228 387292907 /nfs/dbraw/zinc/29/29/07/387292907.db2.gz VODGIOKXKGVJIN-CZXHOFHRSA-N 2 2 246.354 2.101 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])CC)s1 ZINC000423441827 387293117 /nfs/dbraw/zinc/29/31/17/387293117.db2.gz BFMBVCJZJSLSOU-WPRPVWTQSA-N 2 2 241.404 2.402 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)s1 ZINC000423441825 387293134 /nfs/dbraw/zinc/29/31/34/387293134.db2.gz BFMBVCJZJSLSOU-SCZZXKLOSA-N 2 2 241.404 2.402 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000423449732 387297126 /nfs/dbraw/zinc/29/71/26/387297126.db2.gz RYPZBCATFMEACU-DCAQKATOSA-N 2 2 221.348 2.030 20 0 BEADLP CC(C)[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(F)cn1 ZINC000423449536 387297636 /nfs/dbraw/zinc/29/76/36/387297636.db2.gz RTSWVZFSSMCKTI-CWSCBRNRSA-N 2 2 239.338 2.243 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423451889 387299424 /nfs/dbraw/zinc/29/94/24/387299424.db2.gz VQZLESQPQBJTLK-HLTSFMKQSA-N 2 2 227.739 2.121 20 0 BEADLP c1coc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000336471712 387300958 /nfs/dbraw/zinc/30/09/58/387300958.db2.gz YIXHCNIYNYHQCJ-UHFFFAOYSA-N 2 2 231.299 2.382 20 0 BEADLP CC(C)C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccn1 ZINC000423453408 387301666 /nfs/dbraw/zinc/30/16/66/387301666.db2.gz XKVYDMFITYCBBK-BZPMIXESSA-N 2 2 235.375 2.494 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1C ZINC000321770525 387303563 /nfs/dbraw/zinc/30/35/63/387303563.db2.gz FIQXDQICXYVYLR-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423456902 387304738 /nfs/dbraw/zinc/30/47/38/387304738.db2.gz DWHQWNNRAPVXSY-PWSUYJOCSA-N 2 2 221.348 2.032 20 0 BEADLP Cc1cc[nH+]c(NCc2ccc[nH+]c2N(C)C)c1 ZINC000352539438 387307279 /nfs/dbraw/zinc/30/72/79/387307279.db2.gz ARCAODWQPRSECZ-UHFFFAOYSA-N 2 2 242.326 2.463 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])oc1C ZINC000423459778 387308906 /nfs/dbraw/zinc/30/89/06/387308906.db2.gz IJVRTDZSEIJUTK-UTLUCORTSA-N 2 2 210.321 2.283 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccoc1 ZINC000643501880 387354423 /nfs/dbraw/zinc/35/44/23/387354423.db2.gz RUCVFKSZKZFYSW-JQWIXIFHSA-N 2 2 208.305 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+]C(C)(C)CCO)c[nH+]1 ZINC000354334551 387361183 /nfs/dbraw/zinc/36/11/83/387361183.db2.gz NRVIDCPKKWUZHE-UHFFFAOYSA-N 2 2 236.359 2.073 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000515308746 387363129 /nfs/dbraw/zinc/36/31/29/387363129.db2.gz YQSXEMVKGBSRDU-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000515308746 387363134 /nfs/dbraw/zinc/36/31/34/387363134.db2.gz YQSXEMVKGBSRDU-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502750 387364606 /nfs/dbraw/zinc/36/46/06/387364606.db2.gz PEIKVSAZAPMUHF-KBPBESRZSA-N 2 2 245.370 2.191 20 0 BEADLP Cc1cnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000336553995 387375360 /nfs/dbraw/zinc/37/53/60/387375360.db2.gz YEDCSJUYECOXSS-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccncc1 ZINC000423569282 387379833 /nfs/dbraw/zinc/37/98/33/387379833.db2.gz WBHRCEJNHDTQMJ-ZIAGYGMSSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1C ZINC000321925014 387320876 /nfs/dbraw/zinc/32/08/76/387320876.db2.gz RQQLEEZFOFMVSY-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)o1 ZINC000423476882 387324154 /nfs/dbraw/zinc/32/41/54/387324154.db2.gz SUXBUCHEYQVCEV-ZJUUUORDSA-N 2 2 210.321 2.230 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000423479006 387328022 /nfs/dbraw/zinc/32/80/22/387328022.db2.gz VBJICBXHJLOVQS-GXFFZTMASA-N 2 2 249.358 2.033 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000336503054 387328615 /nfs/dbraw/zinc/32/86/15/387328615.db2.gz AAJBXNAZXWRAKF-CYBMUJFWSA-N 2 2 242.322 2.480 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000336503054 387328619 /nfs/dbraw/zinc/32/86/19/387328619.db2.gz AAJBXNAZXWRAKF-CYBMUJFWSA-N 2 2 242.322 2.480 20 0 BEADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000354123684 387333266 /nfs/dbraw/zinc/33/32/66/387333266.db2.gz BAYNQXJWBYOUEV-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000354123684 387333272 /nfs/dbraw/zinc/33/32/72/387333272.db2.gz BAYNQXJWBYOUEV-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccn1 ZINC000423494868 387337723 /nfs/dbraw/zinc/33/77/23/387337723.db2.gz BDSWXHUJBSHFDS-BXUZGUMPSA-N 2 2 233.359 2.250 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000373234419 387349949 /nfs/dbraw/zinc/34/99/49/387349949.db2.gz YIWRUHVCVFKJHY-LBPRGKRZSA-N 2 2 245.326 2.393 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000373234419 387349953 /nfs/dbraw/zinc/34/99/53/387349953.db2.gz YIWRUHVCVFKJHY-LBPRGKRZSA-N 2 2 245.326 2.393 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cncc(F)c1 ZINC000643501357 387353376 /nfs/dbraw/zinc/35/33/76/387353376.db2.gz DXMUVOYKYPXLQW-GXFFZTMASA-N 2 2 237.322 2.013 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c(C)n1 ZINC000643506845 387462263 /nfs/dbraw/zinc/46/22/63/387462263.db2.gz KBMTYSOZRLQTQE-LLVKDONJSA-N 2 2 233.359 2.101 20 0 BEADLP CC[C@H](O)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354517697 387387209 /nfs/dbraw/zinc/38/72/09/387387209.db2.gz YMJCNOVYCIUCBB-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc2c(c1)COC2 ZINC000643506393 387460376 /nfs/dbraw/zinc/46/03/76/387460376.db2.gz UXKSAZWSMUBFAD-NSHDSACASA-N 2 2 246.354 2.119 20 0 BEADLP Cc1ccc(CCC[NH2+][C@]2(C)CCCOC2)c[nH+]1 ZINC000354593454 387401182 /nfs/dbraw/zinc/40/11/82/387401182.db2.gz AMVJWCNZWOKTRS-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2(CO)CCC2)c[nH+]1 ZINC000354669003 387415227 /nfs/dbraw/zinc/41/52/27/387415227.db2.gz TZIXQXSIIGWBJT-UHFFFAOYSA-N 2 2 248.370 2.075 20 0 BEADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000643508849 387499148 /nfs/dbraw/zinc/49/91/48/387499148.db2.gz JAPOXYAENZSWBM-HZMBPMFUSA-N 2 2 244.342 2.069 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccncc1 ZINC000361762393 387530869 /nfs/dbraw/zinc/53/08/69/387530869.db2.gz CYRFDIZIJKIAFB-UBHSHLNASA-N 2 2 233.359 2.072 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccncc1 ZINC000361762393 387530873 /nfs/dbraw/zinc/53/08/73/387530873.db2.gz CYRFDIZIJKIAFB-UBHSHLNASA-N 2 2 233.359 2.072 20 0 BEADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C(C)(C)C ZINC000122476795 387535087 /nfs/dbraw/zinc/53/50/87/387535087.db2.gz CYXIGMPGBPFLET-YPMHNXCESA-N 2 2 244.448 2.448 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506262 387465557 /nfs/dbraw/zinc/46/55/57/387465557.db2.gz QBOYOKZPJWJJDZ-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506167 387466288 /nfs/dbraw/zinc/46/62/88/387466288.db2.gz MMMUVTHKOYIZNS-LLVKDONJSA-N 2 2 234.343 2.098 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CO[C@H](C)C2)c[nH+]1 ZINC000516182676 387467871 /nfs/dbraw/zinc/46/78/71/387467871.db2.gz HVCTULPKNLVCFN-TZMCWYRMSA-N 2 2 234.343 2.090 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000336624048 387477883 /nfs/dbraw/zinc/47/78/83/387477883.db2.gz FIOLDQZQYXEZCK-YOUVMVQBSA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000336624048 387477889 /nfs/dbraw/zinc/47/78/89/387477889.db2.gz FIOLDQZQYXEZCK-YOUVMVQBSA-N 2 2 234.318 2.262 20 0 BEADLP Fc1ccc2oc(C[N@@H+]3CCC[NH2+]CC3)cc2c1 ZINC000336624211 387478234 /nfs/dbraw/zinc/47/82/34/387478234.db2.gz WCFCITVJJKTVTC-UHFFFAOYSA-N 2 2 248.301 2.367 20 0 BEADLP Fc1ccc2oc(C[N@H+]3CCC[NH2+]CC3)cc2c1 ZINC000336624211 387478239 /nfs/dbraw/zinc/47/82/39/387478239.db2.gz WCFCITVJJKTVTC-UHFFFAOYSA-N 2 2 248.301 2.367 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@H+](C)C1CC1 ZINC000122195166 387490894 /nfs/dbraw/zinc/49/08/94/387490894.db2.gz QKCLWWLTCVUZEY-STQMWFEESA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[N@@H+](C)C1CC1 ZINC000122195166 387490898 /nfs/dbraw/zinc/49/08/98/387490898.db2.gz QKCLWWLTCVUZEY-STQMWFEESA-N 2 2 222.376 2.415 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528759243 387592234 /nfs/dbraw/zinc/59/22/34/387592234.db2.gz NIXRSQFNWFSGRH-OSFYFWSMSA-N 2 2 248.370 2.334 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000643511793 387594512 /nfs/dbraw/zinc/59/45/12/387594512.db2.gz OJEXENINNSAVFU-GZMMTYOYSA-N 2 2 241.404 2.394 20 0 BEADLP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc(C2CC2)c1 ZINC000422558874 387600554 /nfs/dbraw/zinc/60/05/54/387600554.db2.gz ZWFNQUDTKYOLTB-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccn1 ZINC000527538015 387607061 /nfs/dbraw/zinc/60/70/61/387607061.db2.gz HBWXZKBMEUOILF-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccn1 ZINC000527538015 387607064 /nfs/dbraw/zinc/60/70/64/387607064.db2.gz HBWXZKBMEUOILF-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CCc1nc([C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422701832 387618165 /nfs/dbraw/zinc/61/81/65/387618165.db2.gz CREIKZZTYKKIQU-BBBLOLIVSA-N 2 2 241.404 2.482 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)s1 ZINC000643516374 387623815 /nfs/dbraw/zinc/62/38/15/387623815.db2.gz MJEFAGCXEICLEA-RDDDGLTNSA-N 2 2 239.388 2.148 20 0 BEADLP C[C@H](F)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000375715928 387570813 /nfs/dbraw/zinc/57/08/13/387570813.db2.gz FYUXUAPWPBNJPO-NSHDSACASA-N 2 2 225.311 2.268 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000527536221 387631687 /nfs/dbraw/zinc/63/16/87/387631687.db2.gz UQINICOHSJVESR-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000527536221 387631691 /nfs/dbraw/zinc/63/16/91/387631691.db2.gz UQINICOHSJVESR-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccn1 ZINC000527536221 387631694 /nfs/dbraw/zinc/63/16/94/387631694.db2.gz UQINICOHSJVESR-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccn1 ZINC000527536221 387631699 /nfs/dbraw/zinc/63/16/99/387631699.db2.gz UQINICOHSJVESR-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430608575 387632146 /nfs/dbraw/zinc/63/21/46/387632146.db2.gz DQLFTTNQFOLJIT-CYBMUJFWSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430608575 387632150 /nfs/dbraw/zinc/63/21/50/387632150.db2.gz DQLFTTNQFOLJIT-CYBMUJFWSA-N 2 2 238.762 2.306 20 0 BEADLP C(C[N@@H+]1CCC[NH2+]CC1)OC1CCCCCC1 ZINC000430611483 387632995 /nfs/dbraw/zinc/63/29/95/387632995.db2.gz OTXHVYOKVFSTMZ-UHFFFAOYSA-N 2 2 240.391 2.021 20 0 BEADLP C(C[N@H+]1CCC[NH2+]CC1)OC1CCCCCC1 ZINC000430611483 387633002 /nfs/dbraw/zinc/63/30/02/387633002.db2.gz OTXHVYOKVFSTMZ-UHFFFAOYSA-N 2 2 240.391 2.021 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631311 387643186 /nfs/dbraw/zinc/64/31/86/387643186.db2.gz IVHUHUBCFVCFEI-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631311 387643190 /nfs/dbraw/zinc/64/31/90/387643190.db2.gz IVHUHUBCFVCFEI-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422739498 387645461 /nfs/dbraw/zinc/64/54/61/387645461.db2.gz LOHWDTSVJNVNKW-QWHCGFSZSA-N 2 2 234.343 2.055 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422738494 387645933 /nfs/dbraw/zinc/64/59/33/387645933.db2.gz JKPQBGQYOIVSRB-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422738930 387646500 /nfs/dbraw/zinc/64/65/00/387646500.db2.gz ZQNNBKQWCTYKRD-KGLIPLIRSA-N 2 2 236.334 2.446 20 0 BEADLP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745956 387648490 /nfs/dbraw/zinc/64/84/90/387648490.db2.gz YSBDBLDCHHFDCZ-AEGPPILISA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000440778961 387695680 /nfs/dbraw/zinc/69/56/80/387695680.db2.gz MEHXEORNZUWJOD-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000440778961 387695685 /nfs/dbraw/zinc/69/56/85/387695685.db2.gz MEHXEORNZUWJOD-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000440778961 387695692 /nfs/dbraw/zinc/69/56/92/387695692.db2.gz MEHXEORNZUWJOD-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000440778961 387695697 /nfs/dbraw/zinc/69/56/97/387695697.db2.gz MEHXEORNZUWJOD-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000440785530 387695934 /nfs/dbraw/zinc/69/59/34/387695934.db2.gz PNTDTRHNMRPLSR-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000440785530 387695941 /nfs/dbraw/zinc/69/59/41/387695941.db2.gz PNTDTRHNMRPLSR-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000440785530 387695944 /nfs/dbraw/zinc/69/59/44/387695944.db2.gz PNTDTRHNMRPLSR-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000440785530 387695951 /nfs/dbraw/zinc/69/59/51/387695951.db2.gz PNTDTRHNMRPLSR-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000130183549 134617083 /nfs/dbraw/zinc/61/70/83/134617083.db2.gz WECGYBOYYIJPFE-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](F)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000440783609 387696308 /nfs/dbraw/zinc/69/63/08/387696308.db2.gz LNMDZCWADJNYLX-QWHCGFSZSA-N 2 2 239.338 2.404 20 0 BEADLP CC[C@H](F)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000440783609 387696310 /nfs/dbraw/zinc/69/63/10/387696310.db2.gz LNMDZCWADJNYLX-QWHCGFSZSA-N 2 2 239.338 2.404 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684635 387689068 /nfs/dbraw/zinc/68/90/68/387689068.db2.gz KZIKWHSUTSUNSE-WCQYABFASA-N 2 2 246.354 2.280 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684635 387689075 /nfs/dbraw/zinc/68/90/75/387689075.db2.gz KZIKWHSUTSUNSE-WCQYABFASA-N 2 2 246.354 2.280 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000440771964 387690806 /nfs/dbraw/zinc/69/08/06/387690806.db2.gz SWAQDLJBPFVJAZ-QWHCGFSZSA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000440771964 387690808 /nfs/dbraw/zinc/69/08/08/387690808.db2.gz SWAQDLJBPFVJAZ-QWHCGFSZSA-N 2 2 228.355 2.152 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@@H+]1C1CC1 ZINC000527750671 387692278 /nfs/dbraw/zinc/69/22/78/387692278.db2.gz NIHQIQFYBGDWDH-DGCLKSJQSA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2CC=CC2)C[N@H+]1C1CC1 ZINC000527750671 387692286 /nfs/dbraw/zinc/69/22/86/387692286.db2.gz NIHQIQFYBGDWDH-DGCLKSJQSA-N 2 2 220.360 2.167 20 0 BEADLP FC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527751867 387692413 /nfs/dbraw/zinc/69/24/13/387692413.db2.gz ITCIOYQICXVJRY-CYBMUJFWSA-N 2 2 240.366 2.485 20 0 BEADLP FC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751867 387692418 /nfs/dbraw/zinc/69/24/18/387692418.db2.gz ITCIOYQICXVJRY-CYBMUJFWSA-N 2 2 240.366 2.485 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000422863219 387747939 /nfs/dbraw/zinc/74/79/39/387747939.db2.gz RIGUGBUBGTXSBT-DCAQKATOSA-N 2 2 239.388 2.182 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422871756 387749076 /nfs/dbraw/zinc/74/90/76/387749076.db2.gz DMRYJHSBNBCHCZ-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527844479 387752007 /nfs/dbraw/zinc/75/20/07/387752007.db2.gz ARTDXQJXJODLAG-GRYCIOLGSA-N 2 2 219.332 2.050 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1F ZINC000422799719 387697935 /nfs/dbraw/zinc/69/79/35/387697935.db2.gz YDZXGNRBJQYXCS-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1F ZINC000422799720 387698838 /nfs/dbraw/zinc/69/88/38/387698838.db2.gz YDZXGNRBJQYXCS-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000422799884 387699805 /nfs/dbraw/zinc/69/98/05/387699805.db2.gz AFTHAJJKLZNXFZ-NOZJJQNGSA-N 2 2 240.297 2.195 20 0 BEADLP CC[C@H](F)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000440792223 387703332 /nfs/dbraw/zinc/70/33/32/387703332.db2.gz ROIQGJDPMWYPRK-WOPDTQHZSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000440792223 387703336 /nfs/dbraw/zinc/70/33/36/387703336.db2.gz ROIQGJDPMWYPRK-WOPDTQHZSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000440792223 387703339 /nfs/dbraw/zinc/70/33/39/387703339.db2.gz ROIQGJDPMWYPRK-WOPDTQHZSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000440792223 387703343 /nfs/dbraw/zinc/70/33/43/387703343.db2.gz ROIQGJDPMWYPRK-WOPDTQHZSA-N 2 2 216.344 2.149 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)CS1 ZINC000418115619 387708364 /nfs/dbraw/zinc/70/83/64/387708364.db2.gz PNFGUPNYMKWURX-NEPJUHHUSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527788918 387714484 /nfs/dbraw/zinc/71/44/84/387714484.db2.gz MCDGTHXMMAFBHS-MCIONIFRSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527788918 387714490 /nfs/dbraw/zinc/71/44/90/387714490.db2.gz MCDGTHXMMAFBHS-MCIONIFRSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527788925 387714531 /nfs/dbraw/zinc/71/45/31/387714531.db2.gz MCDGTHXMMAFBHS-RDBSUJKOSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527788925 387714534 /nfs/dbraw/zinc/71/45/34/387714534.db2.gz MCDGTHXMMAFBHS-RDBSUJKOSA-N 2 2 222.376 2.273 20 0 BEADLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805809 387728624 /nfs/dbraw/zinc/72/86/24/387728624.db2.gz IFTWGZOYNKQCOL-HNNXBMFYSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805809 387728628 /nfs/dbraw/zinc/72/86/28/387728628.db2.gz IFTWGZOYNKQCOL-HNNXBMFYSA-N 2 2 247.386 2.132 20 0 BEADLP FC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527813573 387735674 /nfs/dbraw/zinc/73/56/74/387735674.db2.gz YCJUITPUYXELED-GFCCVEGCSA-N 2 2 226.339 2.095 20 0 BEADLP FC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527813573 387735679 /nfs/dbraw/zinc/73/56/79/387735679.db2.gz YCJUITPUYXELED-GFCCVEGCSA-N 2 2 226.339 2.095 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377649964 387737131 /nfs/dbraw/zinc/73/71/31/387737131.db2.gz MWTLVXFPTLWPEX-GASCZTMLSA-N 2 2 246.354 2.186 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377649964 387737135 /nfs/dbraw/zinc/73/71/35/387737135.db2.gz MWTLVXFPTLWPEX-GASCZTMLSA-N 2 2 246.354 2.186 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C1CC1)CCC2 ZINC000378005509 387761949 /nfs/dbraw/zinc/76/19/49/387761949.db2.gz OAJUSHWIGUOHGG-AAEUAGOBSA-N 2 2 233.359 2.457 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527873920 387766370 /nfs/dbraw/zinc/76/63/70/387766370.db2.gz WXXLXLSTUYIRSG-WVWOOGAGSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CC12CC2 ZINC000527873920 387766372 /nfs/dbraw/zinc/76/63/72/387766372.db2.gz WXXLXLSTUYIRSG-WVWOOGAGSA-N 2 2 234.387 2.247 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](C)[NH3+] ZINC000643529155 387769274 /nfs/dbraw/zinc/76/92/74/387769274.db2.gz WAEDFLYUWYNYGZ-WCQYABFASA-N 2 2 234.343 2.146 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cnc2ccsc2c1 ZINC000643528572 387770407 /nfs/dbraw/zinc/77/04/07/387770407.db2.gz LOSHUHWAUQCORY-DTWKUNHWSA-N 2 2 235.356 2.294 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000643528979 387771928 /nfs/dbraw/zinc/77/19/28/387771928.db2.gz SGRKZROYPFJZOI-GXSJLCMTSA-N 2 2 222.332 2.230 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000643529803 387775105 /nfs/dbraw/zinc/77/51/05/387775105.db2.gz GKIRSWKYCMGNHV-VXGBXAGGSA-N 2 2 235.375 2.347 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC12CC2 ZINC000527897097 387777412 /nfs/dbraw/zinc/77/74/12/387777412.db2.gz ZJOZYAVPFARDBU-NWDGAFQWSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC12CC2 ZINC000527896639 387778586 /nfs/dbraw/zinc/77/85/86/387778586.db2.gz CNNAQHLEOHRZGO-HBNTYKKESA-N 2 2 231.343 2.045 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC12CC2 ZINC000527896639 387778589 /nfs/dbraw/zinc/77/85/89/387778589.db2.gz CNNAQHLEOHRZGO-HBNTYKKESA-N 2 2 231.343 2.045 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000422958505 387812388 /nfs/dbraw/zinc/81/23/88/387812388.db2.gz PJDAQTPSNJZBSU-JTNHKYCSSA-N 2 2 216.328 2.186 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422926638 387780183 /nfs/dbraw/zinc/78/01/83/387780183.db2.gz XEMQCZPVBPDSAJ-OEAJRASXSA-N 2 2 244.382 2.205 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000643530002 387780900 /nfs/dbraw/zinc/78/09/00/387780900.db2.gz WPXWBCBQATVLRD-DGCLKSJQSA-N 2 2 233.359 2.047 20 0 BEADLP CCN(CC)c1ccc(N[C@@H]2CCC[C@H]2[NH3+])c[nH+]1 ZINC000422978970 387789064 /nfs/dbraw/zinc/78/90/64/387789064.db2.gz IIBGBUWBZOQAFB-CHWSQXEVSA-N 2 2 248.374 2.220 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)[C@H]1CCC[NH2+]1 ZINC000422979450 387790155 /nfs/dbraw/zinc/79/01/55/387790155.db2.gz MUMGGMWOKDOREE-HONMWMINSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)Oc1ccccc1 ZINC000422980154 387791256 /nfs/dbraw/zinc/79/12/56/387791256.db2.gz LCHYYDFLFLZESM-NFAWXSAZSA-N 2 2 248.370 2.042 20 0 BEADLP COC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952897 387808973 /nfs/dbraw/zinc/80/89/73/387808973.db2.gz COAVKFWHDBHNIN-BPLDGKMQSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000643526551 387758742 /nfs/dbraw/zinc/75/87/42/387758742.db2.gz AXSKQSYFZWYANV-QWRGUYRKSA-N 2 2 229.327 2.233 20 0 BEADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)[NH3+])C2CCC2)o1 ZINC000643527999 387760371 /nfs/dbraw/zinc/76/03/71/387760371.db2.gz XDYXVDRAMSOUSX-RNCFNFMXSA-N 2 2 222.332 2.366 20 0 BEADLP CC(C)[NH+](CCC[NH2+][C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423003549 387826531 /nfs/dbraw/zinc/82/65/31/387826531.db2.gz HWCOTVPWYGAWOM-KBPBESRZSA-N 3 2 243.439 2.211 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000423008289 387831096 /nfs/dbraw/zinc/83/10/96/387831096.db2.gz ZSQJWHDQTXLPNM-DOMZBBRYSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cncc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423008982 387831686 /nfs/dbraw/zinc/83/16/86/387831686.db2.gz BLNFIHQCGHHKRX-TZMCWYRMSA-N 2 2 233.359 2.010 20 0 BEADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]([NH3+])CC(C)C)n1 ZINC000442752239 387834489 /nfs/dbraw/zinc/83/44/89/387834489.db2.gz SEWRAGFYEGIXHI-UWVGGRQHSA-N 2 2 240.351 2.161 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423016235 387839750 /nfs/dbraw/zinc/83/97/50/387839750.db2.gz SKRYVDXFQVOXOG-CABCVRRESA-N 3 2 247.386 2.182 20 0 BEADLP C[C@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000442653804 387813815 /nfs/dbraw/zinc/81/38/15/387813815.db2.gz AIPYXPLHQPHAIH-JTQLQIEISA-N 2 2 222.307 2.137 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000442653804 387813820 /nfs/dbraw/zinc/81/38/20/387813820.db2.gz AIPYXPLHQPHAIH-JTQLQIEISA-N 2 2 222.307 2.137 20 0 BEADLP Cc1cccc(NC2CC[NH+](C[C@H](C)[NH3+])CC2)c1 ZINC000442656166 387815477 /nfs/dbraw/zinc/81/54/77/387815477.db2.gz DWCBQPQLZSNPNP-ZDUSSCGKSA-N 2 2 247.386 2.219 20 0 BEADLP Cc1ccc(OC2CC[NH+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000442660525 387817690 /nfs/dbraw/zinc/81/76/90/387817690.db2.gz CYOMCGKEWRKNLE-CYBMUJFWSA-N 2 2 248.370 2.185 20 0 BEADLP COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000442667199 387819366 /nfs/dbraw/zinc/81/93/66/387819366.db2.gz YOKIRYKCWWZKKJ-YPMHNXCESA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000442667199 387819369 /nfs/dbraw/zinc/81/93/69/387819369.db2.gz YOKIRYKCWWZKKJ-YPMHNXCESA-N 2 2 234.343 2.179 20 0 BEADLP C[C@@]1(F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444614782 387893061 /nfs/dbraw/zinc/89/30/61/387893061.db2.gz XBLURHCBUXKPAT-CYBMUJFWSA-N 2 2 228.355 2.296 20 0 BEADLP C[C@@]1(F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444614782 387893062 /nfs/dbraw/zinc/89/30/62/387893062.db2.gz XBLURHCBUXKPAT-CYBMUJFWSA-N 2 2 228.355 2.296 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423115463 387896776 /nfs/dbraw/zinc/89/67/76/387896776.db2.gz XYWNLBOEOFFCGH-NAKRPEOUSA-N 2 2 232.318 2.150 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538633 387877181 /nfs/dbraw/zinc/87/71/81/387877181.db2.gz QGPHIIFRKARXIP-NAWOPXAZSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000643538648 387877565 /nfs/dbraw/zinc/87/75/65/387877565.db2.gz QUAYLVUMZFFKOV-MELADBBJSA-N 2 2 240.366 2.245 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538273 387878796 /nfs/dbraw/zinc/87/87/96/387878796.db2.gz DJURRCDCUVPNLW-RFGFWPKPSA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1nc(C)sc1C ZINC000643540443 387881439 /nfs/dbraw/zinc/88/14/39/387881439.db2.gz IAVLFMUFWDXBRR-XCBNKYQSSA-N 2 2 227.377 2.148 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423135337 387914119 /nfs/dbraw/zinc/91/41/19/387914119.db2.gz NSZLFWKEXHCCMA-HTQZYQBOSA-N 2 2 246.276 2.319 20 0 BEADLP C[C@H](CCCC[NH3+])[NH2+][C@H](C1CC1)C(F)(F)F ZINC000423136809 387914215 /nfs/dbraw/zinc/91/42/15/387914215.db2.gz ZMPGQYLZZBNQMD-PSASIEDQSA-N 2 2 238.297 2.434 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100504 387931097 /nfs/dbraw/zinc/93/10/97/387931097.db2.gz AYRDRDBTRQEMJP-SMDDNHRTSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100504 387931099 /nfs/dbraw/zinc/93/10/99/387931099.db2.gz AYRDRDBTRQEMJP-SMDDNHRTSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[N@H+](CCn1cc[nH+]c1)CC1CCC1 ZINC000444787857 387932802 /nfs/dbraw/zinc/93/28/02/387932802.db2.gz XYHFISBIGQEOFD-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[N@@H+](CCn1cc[nH+]c1)CC1CCC1 ZINC000444787857 387932808 /nfs/dbraw/zinc/93/28/08/387932808.db2.gz XYHFISBIGQEOFD-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000044534428 387939075 /nfs/dbraw/zinc/93/90/75/387939075.db2.gz HHYRHSBHXNDFLI-NWDGAFQWSA-N 2 2 222.332 2.272 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000044534428 387939081 /nfs/dbraw/zinc/93/90/81/387939081.db2.gz HHYRHSBHXNDFLI-NWDGAFQWSA-N 2 2 222.332 2.272 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000245545973 387958824 /nfs/dbraw/zinc/95/88/24/387958824.db2.gz USDJIZPDOVUEFL-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000245545973 387958829 /nfs/dbraw/zinc/95/88/29/387958829.db2.gz USDJIZPDOVUEFL-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH3+])c1ccc(F)c(F)c1 ZINC000423186886 387972017 /nfs/dbraw/zinc/97/20/17/387972017.db2.gz ONFBMFTUFHZRLF-LBPRGKRZSA-N 2 2 228.286 2.210 20 0 BEADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186490 387972250 /nfs/dbraw/zinc/97/22/50/387972250.db2.gz KBFGXGKOEAQEKU-CFVMTHIKSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1c[nH+]ccc1N ZINC000423183542 387968578 /nfs/dbraw/zinc/96/85/78/387968578.db2.gz MOIFLCUSZNIVOD-IRUJWGPZSA-N 2 2 237.322 2.425 20 0 BEADLP COc1ccccc1[C@@H]([NH2+]CC[NH3+])C1CCCC1 ZINC000423187768 387971310 /nfs/dbraw/zinc/97/13/10/387971310.db2.gz PMNVGLLJCWCDBE-HNNXBMFYSA-N 2 2 248.370 2.475 20 0 BEADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186492 387971879 /nfs/dbraw/zinc/97/18/79/387971879.db2.gz KBFGXGKOEAQEKU-QEJZJMRPSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000453078126 387980561 /nfs/dbraw/zinc/98/05/61/387980561.db2.gz XHIJABZSUVWAEF-UONOGXRCSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccncc1 ZINC000453078126 387980564 /nfs/dbraw/zinc/98/05/64/387980564.db2.gz XHIJABZSUVWAEF-UONOGXRCSA-N 2 2 233.359 2.217 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423188615 387973403 /nfs/dbraw/zinc/97/34/03/387973403.db2.gz LULMUTRLZFXGQC-QWHCGFSZSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccc2oc([C@H](C)[NH2+]CC[NH3+])c(C)c2c1 ZINC000423191088 387975740 /nfs/dbraw/zinc/97/57/40/387975740.db2.gz SNCITRNGDPTVDE-JTQLQIEISA-N 2 2 248.326 2.359 20 0 BEADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000445894523 387976404 /nfs/dbraw/zinc/97/64/04/387976404.db2.gz BJZPUFWGUMPLPR-SNVBAGLBSA-N 2 2 249.280 2.450 20 0 BEADLP CCSc1ccccc1[C@H](C)[NH2+]CC[NH3+] ZINC000423191556 387976777 /nfs/dbraw/zinc/97/67/77/387976777.db2.gz UMBOGASYTJASCK-JTQLQIEISA-N 2 2 224.373 2.408 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccn1 ZINC000424331200 387977329 /nfs/dbraw/zinc/97/73/29/387977329.db2.gz JCWKVGUESLPLOG-NQBHXWOUSA-N 2 2 219.332 2.002 20 0 BEADLP Cc1ccc2cc([C@H](C)[NH2+]CC[NH3+])oc2c1 ZINC000423192509 387977427 /nfs/dbraw/zinc/97/74/27/387977427.db2.gz VPRZVJXGWFNFRS-JTQLQIEISA-N 2 2 218.300 2.351 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC000453072099 387978082 /nfs/dbraw/zinc/97/80/82/387978082.db2.gz HWEAKWRENXCSSU-UHFFFAOYSA-N 2 2 246.398 2.475 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CCc2ccccc2CC1 ZINC000453072099 387978088 /nfs/dbraw/zinc/97/80/88/387978088.db2.gz HWEAKWRENXCSSU-UHFFFAOYSA-N 2 2 246.398 2.475 20 0 BEADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423203775 387989815 /nfs/dbraw/zinc/98/98/15/387989815.db2.gz NKJUADDPMVBGEK-MBNYWOFBSA-N 2 2 230.355 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cncs1 ZINC000424368867 387993808 /nfs/dbraw/zinc/99/38/08/387993808.db2.gz AQQCGSHOOLUSAU-OPRDCNLKSA-N 2 2 225.361 2.064 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423196187 387981967 /nfs/dbraw/zinc/98/19/67/387981967.db2.gz UTBRYLKIWFNNCB-UKRRQHHQSA-N 2 2 248.370 2.488 20 0 BEADLP c1cncc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423196032 387982218 /nfs/dbraw/zinc/98/22/18/387982218.db2.gz UKECFRSWLCMPOI-GJZGRUSLSA-N 2 2 245.370 2.264 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423196186 387982487 /nfs/dbraw/zinc/98/24/87/387982487.db2.gz UTBRYLKIWFNNCB-HIFRSBDPSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423197537 387984090 /nfs/dbraw/zinc/98/40/90/387984090.db2.gz ZUHFLDJYJIACHA-OLZOCXBDSA-N 2 2 247.386 2.155 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423200475 387986771 /nfs/dbraw/zinc/98/67/71/387986771.db2.gz FUDANIPTPOKGCD-GXTWGEPZSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cn1 ZINC000424374874 387998365 /nfs/dbraw/zinc/99/83/65/387998365.db2.gz LXRXNQBTDVTJKI-UFGOTCBOSA-N 2 2 237.322 2.141 20 0 BEADLP CCc1cnc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000424374390 387999352 /nfs/dbraw/zinc/99/93/52/387999352.db2.gz YZFGNGFDQKDUOM-GHMZBOCLSA-N 2 2 239.388 2.065 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000423223330 388004199 /nfs/dbraw/zinc/00/41/99/388004199.db2.gz GAHGEAXCPPIQEG-VIFPVBQESA-N 2 2 241.404 2.445 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000423222959 388004468 /nfs/dbraw/zinc/00/44/68/388004468.db2.gz DJENDOXTNIWCMV-AWEZNQCLSA-N 2 2 218.344 2.263 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000423224143 388006081 /nfs/dbraw/zinc/00/60/81/388006081.db2.gz IJFYUKIDUARPFM-GFCCVEGCSA-N 2 2 232.371 2.435 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000423224144 388006421 /nfs/dbraw/zinc/00/64/21/388006421.db2.gz IJFYUKIDUARPFM-LBPRGKRZSA-N 2 2 232.371 2.435 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000156589349 388007064 /nfs/dbraw/zinc/00/70/64/388007064.db2.gz WERYJVRWQPCVCZ-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000156589349 388007068 /nfs/dbraw/zinc/00/70/68/388007068.db2.gz WERYJVRWQPCVCZ-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000423226008 388009241 /nfs/dbraw/zinc/00/92/41/388009241.db2.gz PCJOVDLNWIMCJN-SECBINFHSA-N 2 2 242.363 2.418 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)CC2 ZINC000453209242 388011214 /nfs/dbraw/zinc/01/12/14/388011214.db2.gz ZCPPMQXIIZKIGU-DZGCQCFKSA-N 2 2 245.370 2.366 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423226595 388009586 /nfs/dbraw/zinc/00/95/86/388009586.db2.gz RKHRGMRJEZJFIU-LLVKDONJSA-N 2 2 222.332 2.102 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423240709 388023895 /nfs/dbraw/zinc/02/38/95/388023895.db2.gz KYMZDXYHAKSOEX-JSGCOSHPSA-N 2 2 236.359 2.091 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423240712 388024411 /nfs/dbraw/zinc/02/44/11/388024411.db2.gz KYMZDXYHAKSOEX-TZMCWYRMSA-N 2 2 236.359 2.091 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423239957 388024581 /nfs/dbraw/zinc/02/45/81/388024581.db2.gz GKEPHZBWZFYJTH-CQSZACIVSA-N 2 2 235.375 2.368 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423227378 388011979 /nfs/dbraw/zinc/01/19/79/388011979.db2.gz VMAQBDLNSFDMKL-CYBMUJFWSA-N 2 2 234.343 2.018 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423228362 388013315 /nfs/dbraw/zinc/01/33/15/388013315.db2.gz ZGTAZVOWUROUDR-JTQLQIEISA-N 2 2 218.300 2.303 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230448 388014755 /nfs/dbraw/zinc/01/47/55/388014755.db2.gz DPBKQPIJLFOKDK-QWRGUYRKSA-N 2 2 224.373 2.459 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423229074 388014824 /nfs/dbraw/zinc/01/48/24/388014824.db2.gz AFIZYQBIBXPUMG-NWDGAFQWSA-N 2 2 237.322 2.013 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230158 388015270 /nfs/dbraw/zinc/01/52/70/388015270.db2.gz CTGJHLLFPIAQSF-QWHCGFSZSA-N 2 2 248.370 2.488 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230132 388015511 /nfs/dbraw/zinc/01/55/11/388015511.db2.gz CQESDWQPEAZDQU-BXUZGUMPSA-N 2 2 246.354 2.024 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423237374 388021095 /nfs/dbraw/zinc/02/10/95/388021095.db2.gz DCAWLXHPPBQDJU-NSHDSACASA-N 2 2 218.344 2.434 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423237715 388021233 /nfs/dbraw/zinc/02/12/33/388021233.db2.gz DQLRZDKRJCBSEH-SECBINFHSA-N 2 2 228.286 2.225 20 0 BEADLP c1cncc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCC2)c1 ZINC000423239586 388022735 /nfs/dbraw/zinc/02/27/35/388022735.db2.gz SHQZFLHBKXMQDA-LSDHHAIUSA-N 2 2 245.370 2.264 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423265273 388044662 /nfs/dbraw/zinc/04/46/62/388044662.db2.gz CSDYJYNPWDCPPK-NWDGAFQWSA-N 2 2 221.348 2.024 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1C[C@H]1C ZINC000423250251 388032299 /nfs/dbraw/zinc/03/22/99/388032299.db2.gz QATDTXPXEXIFRH-XWUBHJNHSA-N 2 2 218.344 2.321 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000083055829 388044519 /nfs/dbraw/zinc/04/45/19/388044519.db2.gz GCAUSEZLLDAQHQ-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cs1 ZINC000423262021 388039776 /nfs/dbraw/zinc/03/97/76/388039776.db2.gz LLMOZBKLBYGUGM-GXSJLCMTSA-N 2 2 241.404 2.476 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cs1 ZINC000423262024 388040200 /nfs/dbraw/zinc/04/02/00/388040200.db2.gz LLMOZBKLBYGUGM-ONGXEEELSA-N 2 2 241.404 2.476 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cncc(F)c1 ZINC000423262401 388040408 /nfs/dbraw/zinc/04/04/08/388040408.db2.gz MJFJEPVAIRWMKH-MFKMUULPSA-N 2 2 239.338 2.245 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(F)c1 ZINC000423245923 388028692 /nfs/dbraw/zinc/02/86/92/388028692.db2.gz MQVMOOSWAYWJIO-SNVBAGLBSA-N 2 2 210.296 2.086 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](C1CC1)C1CCC1)C2 ZINC000453263334 388028789 /nfs/dbraw/zinc/02/87/89/388028789.db2.gz YTIAAMDLMMFHQI-DOMZBBRYSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H](C1CC1)C1CCC1)CC2 ZINC000453263334 388028792 /nfs/dbraw/zinc/02/87/92/388028792.db2.gz YTIAAMDLMMFHQI-DOMZBBRYSA-N 2 2 245.370 2.435 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000423247034 388030414 /nfs/dbraw/zinc/03/04/14/388030414.db2.gz OQTAFTNTQRLXKJ-AWEZNQCLSA-N 2 2 243.354 2.354 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423271397 388051897 /nfs/dbraw/zinc/05/18/97/388051897.db2.gz HIVRMUAUEAWXOE-QPUJVOFHSA-N 2 2 239.750 2.123 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000453378421 388064841 /nfs/dbraw/zinc/06/48/41/388064841.db2.gz YDCFSQBHCHZUSN-YRGRVCCFSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000453378421 388064843 /nfs/dbraw/zinc/06/48/43/388064843.db2.gz YDCFSQBHCHZUSN-YRGRVCCFSA-N 2 2 224.392 2.495 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423283474 388065671 /nfs/dbraw/zinc/06/56/71/388065671.db2.gz FGTHEKGRWMOBFE-LLVKDONJSA-N 2 2 236.359 2.473 20 0 BEADLP Clc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000070599618 388066125 /nfs/dbraw/zinc/06/61/25/388066125.db2.gz FNFLWMQALZATOQ-QMMMGPOBSA-N 2 2 230.764 2.243 20 0 BEADLP CC[C@H](F)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000440694378 388067113 /nfs/dbraw/zinc/06/71/13/388067113.db2.gz CNERIBHBCIVHFL-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(F)cn1 ZINC000423285647 388068300 /nfs/dbraw/zinc/06/83/00/388068300.db2.gz ZMQJLVGNYLTCQV-VXGBXAGGSA-N 2 2 239.338 2.245 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402067 388073889 /nfs/dbraw/zinc/07/38/89/388073889.db2.gz PLVZCAVXFHSTIY-OCCSQVGLSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402067 388073890 /nfs/dbraw/zinc/07/38/90/388073890.db2.gz PLVZCAVXFHSTIY-OCCSQVGLSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccn1 ZINC000423288905 388074215 /nfs/dbraw/zinc/07/42/15/388074215.db2.gz VRCCFLLDXQAKQN-ZDUSSCGKSA-N 2 2 235.375 2.496 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])o1 ZINC000423289316 388074399 /nfs/dbraw/zinc/07/43/99/388074399.db2.gz WTAVHLNCZODXQY-VIFPVBQESA-N 2 2 210.321 2.230 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000084511011 388078655 /nfs/dbraw/zinc/07/86/55/388078655.db2.gz OCXMHUDMFGPLNM-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000084511011 388078660 /nfs/dbraw/zinc/07/86/60/388078660.db2.gz OCXMHUDMFGPLNM-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447592004 388081012 /nfs/dbraw/zinc/08/10/12/388081012.db2.gz JPVJGHBZTWEZLO-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447592004 388081013 /nfs/dbraw/zinc/08/10/13/388081013.db2.gz JPVJGHBZTWEZLO-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447592003 388081085 /nfs/dbraw/zinc/08/10/85/388081085.db2.gz JPVJGHBZTWEZLO-SCRDCRAPSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447592003 388081087 /nfs/dbraw/zinc/08/10/87/388081087.db2.gz JPVJGHBZTWEZLO-SCRDCRAPSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000453468436 388083778 /nfs/dbraw/zinc/08/37/78/388083778.db2.gz ZIAUVNSEKPRGJJ-YIYPIFLZSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000453468436 388083781 /nfs/dbraw/zinc/08/37/81/388083781.db2.gz ZIAUVNSEKPRGJJ-YIYPIFLZSA-N 2 2 224.392 2.351 20 0 BEADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086727116 388107380 /nfs/dbraw/zinc/10/73/80/388107380.db2.gz TVEWPQPMTZPYOO-JQWIXIFHSA-N 2 2 236.384 2.421 20 0 BEADLP c1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000086727384 388107536 /nfs/dbraw/zinc/10/75/36/388107536.db2.gz RRIXNDNSGNQXBW-KBPBESRZSA-N 2 2 216.328 2.089 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086725323 388107780 /nfs/dbraw/zinc/10/77/80/388107780.db2.gz ZGIBSIVMHHFKGV-GXTWGEPZSA-N 2 2 216.328 2.016 20 0 BEADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086727114 388108340 /nfs/dbraw/zinc/10/83/40/388108340.db2.gz TVEWPQPMTZPYOO-ZYHUDNBSSA-N 2 2 236.384 2.421 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@H]1CCCOCC1)[NH+](C)C ZINC000086870174 388109287 /nfs/dbraw/zinc/10/92/87/388109287.db2.gz SYLXBWDWPQEULY-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423266884 388045406 /nfs/dbraw/zinc/04/54/06/388045406.db2.gz SOFBZNYEDBFPOT-PWSUYJOCSA-N 2 2 239.338 2.245 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@H+]2CC=CCC2)c1 ZINC000449302232 388169486 /nfs/dbraw/zinc/16/94/86/388169486.db2.gz UKROONPDLWNVQE-UHFFFAOYSA-N 2 2 244.382 2.389 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@@H+]2CC=CCC2)c1 ZINC000449302232 388169487 /nfs/dbraw/zinc/16/94/87/388169487.db2.gz UKROONPDLWNVQE-UHFFFAOYSA-N 2 2 244.382 2.389 20 0 BEADLP Cc1cccc(CC[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000449324472 388172422 /nfs/dbraw/zinc/17/24/22/388172422.db2.gz FWYDTOFDEWQWKA-UHFFFAOYSA-N 2 2 244.382 2.318 20 0 BEADLP Cc1cccc(CC[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000449324472 388172423 /nfs/dbraw/zinc/17/24/23/388172423.db2.gz FWYDTOFDEWQWKA-UHFFFAOYSA-N 2 2 244.382 2.318 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449338535 388176086 /nfs/dbraw/zinc/17/60/86/388176086.db2.gz SHGHUSXTTTVMNZ-ZYHUDNBSSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449338535 388176087 /nfs/dbraw/zinc/17/60/87/388176087.db2.gz SHGHUSXTTTVMNZ-ZYHUDNBSSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000488514611 388183481 /nfs/dbraw/zinc/18/34/81/388183481.db2.gz NBKYMIHKYHKEFX-RDBSUJKOSA-N 2 2 247.386 2.331 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000488514611 388183483 /nfs/dbraw/zinc/18/34/83/388183483.db2.gz NBKYMIHKYHKEFX-RDBSUJKOSA-N 2 2 247.386 2.331 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)CCC(C)(C)C ZINC000646028571 388128900 /nfs/dbraw/zinc/12/89/00/388128900.db2.gz FORUJRCHQHWUQT-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)CCC(C)(C)C ZINC000646028571 388128902 /nfs/dbraw/zinc/12/89/02/388128902.db2.gz FORUJRCHQHWUQT-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000449074033 388136576 /nfs/dbraw/zinc/13/65/76/388136576.db2.gz BDQOKZGJLRCLOH-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000449074033 388136577 /nfs/dbraw/zinc/13/65/77/388136577.db2.gz BDQOKZGJLRCLOH-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cccc(CC[NH2+]CC(C)(C)[NH+](C)C)c1 ZINC000449062888 388137706 /nfs/dbraw/zinc/13/77/06/388137706.db2.gz KTWUPGXMULKMQE-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000449074028 388139994 /nfs/dbraw/zinc/13/99/94/388139994.db2.gz BDQOKZGJLRCLOH-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000449074028 388139996 /nfs/dbraw/zinc/13/99/96/388139996.db2.gz BDQOKZGJLRCLOH-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000449170985 388152338 /nfs/dbraw/zinc/15/23/38/388152338.db2.gz JWIKFNLUECWXMW-ZDUSSCGKSA-N 2 2 244.423 2.369 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000449170985 388152341 /nfs/dbraw/zinc/15/23/41/388152341.db2.gz JWIKFNLUECWXMW-ZDUSSCGKSA-N 2 2 244.423 2.369 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398628 388194047 /nfs/dbraw/zinc/19/40/47/388194047.db2.gz YKTBXJBXNFBSAH-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398628 388194050 /nfs/dbraw/zinc/19/40/50/388194050.db2.gz YKTBXJBXNFBSAH-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000489431735 388214220 /nfs/dbraw/zinc/21/42/20/388214220.db2.gz RSXWVGGZKRMIGA-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000489431735 388214222 /nfs/dbraw/zinc/21/42/22/388214222.db2.gz RSXWVGGZKRMIGA-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000449499271 388219536 /nfs/dbraw/zinc/21/95/36/388219536.db2.gz TWZCSUOICARAEW-SRVKXCTJSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000449499271 388219538 /nfs/dbraw/zinc/21/95/38/388219538.db2.gz TWZCSUOICARAEW-SRVKXCTJSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)[C@@H](C)O ZINC000449544457 388227958 /nfs/dbraw/zinc/22/79/58/388227958.db2.gz QOMFRFPIHGLWCT-TZMCWYRMSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000084517100 256565365 /nfs/dbraw/zinc/56/53/65/256565365.db2.gz IFUVTNDWIXQAGL-CQSZACIVSA-N 2 2 232.371 2.453 20 0 BEADLP C[C@@]12C[N@H+](CCn3cc[nH+]c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369056 388266030 /nfs/dbraw/zinc/26/60/30/388266030.db2.gz NCPCYWKRRWTKMJ-QPSCCSFWSA-N 2 2 243.354 2.027 20 0 BEADLP C[C@@]12C[N@@H+](CCn3cc[nH+]c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369056 388266031 /nfs/dbraw/zinc/26/60/31/388266031.db2.gz NCPCYWKRRWTKMJ-QPSCCSFWSA-N 2 2 243.354 2.027 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH+](C)C)C(C)(C)C ZINC000451426087 388272293 /nfs/dbraw/zinc/27/22/93/388272293.db2.gz VSFXKDZWJYANTA-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)CCOCC[NH+]1CCC([NH+](C)C)CC1 ZINC000193413324 388347049 /nfs/dbraw/zinc/34/70/49/388347049.db2.gz FSZLBPWYMFPHAJ-UHFFFAOYSA-N 2 2 242.407 2.075 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1Cl ZINC000235145868 388364996 /nfs/dbraw/zinc/36/49/96/388364996.db2.gz OMQLTOPIIIIVIW-IUCAKERBSA-N 2 2 212.724 2.338 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000235146460 388365263 /nfs/dbraw/zinc/36/52/63/388365263.db2.gz GQICDCXOSFCUDQ-UWVGGRQHSA-N 2 2 218.300 2.431 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1OC(F)F ZINC000235096774 388365292 /nfs/dbraw/zinc/36/52/92/388365292.db2.gz UZOGNVREASGQQE-DTWKUNHWSA-N 2 2 244.285 2.286 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000235517210 388371168 /nfs/dbraw/zinc/37/11/68/388371168.db2.gz KHNLETAAUDAXKH-GXSJLCMTSA-N 2 2 210.346 2.151 20 0 BEADLP c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000133268554 388381336 /nfs/dbraw/zinc/38/13/36/388381336.db2.gz QODQLUUSCGOHMY-KGLIPLIRSA-N 2 2 216.328 2.013 20 0 BEADLP c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000133268554 388381339 /nfs/dbraw/zinc/38/13/39/388381339.db2.gz QODQLUUSCGOHMY-KGLIPLIRSA-N 2 2 216.328 2.013 20 0 BEADLP C[N@@H+]1CCC[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]21 ZINC000133654046 388388432 /nfs/dbraw/zinc/38/84/32/388388432.db2.gz UULLLYMBMIJHFQ-OLZOCXBDSA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CCC[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]21 ZINC000133654046 388388436 /nfs/dbraw/zinc/38/84/36/388388436.db2.gz UULLLYMBMIJHFQ-OLZOCXBDSA-N 2 2 231.343 2.002 20 0 BEADLP Cc1sccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000293460242 388389986 /nfs/dbraw/zinc/38/99/86/388389986.db2.gz DCCRFYJLCYZYPK-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1sccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000293460242 388389989 /nfs/dbraw/zinc/38/99/89/388389989.db2.gz DCCRFYJLCYZYPK-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc(C2CC2)c1 ZINC000300774313 388392099 /nfs/dbraw/zinc/39/20/99/388392099.db2.gz DLJGXULQGSFPKU-UHFFFAOYSA-N 2 2 218.344 2.345 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc(C2CC2)c1 ZINC000300774313 388392102 /nfs/dbraw/zinc/39/21/02/388392102.db2.gz DLJGXULQGSFPKU-UHFFFAOYSA-N 2 2 218.344 2.345 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000229604423 388394641 /nfs/dbraw/zinc/39/46/41/388394641.db2.gz ZPEFNXVSBYBREX-UWVGGRQHSA-N 2 2 230.315 2.115 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(F)c(F)c1 ZINC000300826395 388396500 /nfs/dbraw/zinc/39/65/00/388396500.db2.gz NTAIXZHWHBRNQH-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(F)c(F)c1 ZINC000300826395 388396504 /nfs/dbraw/zinc/39/65/04/388396504.db2.gz NTAIXZHWHBRNQH-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP CCC(CC)C[NH2+]C(C)(C)C[NH+](C)C ZINC000308608376 388445067 /nfs/dbraw/zinc/44/50/67/388445067.db2.gz MAPIHPGLNSXFID-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CCSCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308631398 388445664 /nfs/dbraw/zinc/44/56/64/388445664.db2.gz BNIQUGDKZBNYER-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000335641677 388453006 /nfs/dbraw/zinc/45/30/06/388453006.db2.gz CVLVZRKAYMDAKE-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000295616884 388411950 /nfs/dbraw/zinc/41/19/50/388411950.db2.gz GQFONGQTLMVICN-OUCADQQQSA-N 2 2 234.343 2.088 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295616888 388412407 /nfs/dbraw/zinc/41/24/07/388412407.db2.gz GQFONGQTLMVICN-YRGRVCCFSA-N 2 2 234.343 2.088 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000295616883 388412705 /nfs/dbraw/zinc/41/27/05/388412705.db2.gz GQFONGQTLMVICN-MBNYWOFBSA-N 2 2 234.343 2.088 20 0 BEADLP Cc1cnccc1C[NH2+]CCc1cc[nH+]cc1C ZINC000295911035 388415761 /nfs/dbraw/zinc/41/57/61/388415761.db2.gz ZNNIOVZRPOMGPQ-UHFFFAOYSA-N 2 2 241.338 2.426 20 0 BEADLP FC1(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000573149691 388426435 /nfs/dbraw/zinc/42/64/35/388426435.db2.gz JDIVOCUPJGMVLE-GFCCVEGCSA-N 2 2 236.290 2.037 20 0 BEADLP FC1(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000573149691 388426437 /nfs/dbraw/zinc/42/64/37/388426437.db2.gz JDIVOCUPJGMVLE-GFCCVEGCSA-N 2 2 236.290 2.037 20 0 BEADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCC1 ZINC000322559803 388439179 /nfs/dbraw/zinc/43/91/79/388439179.db2.gz RDEGXMGPTRGXEQ-CYBMUJFWSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3occc32)n1C ZINC000517395634 388550461 /nfs/dbraw/zinc/55/04/61/388550461.db2.gz LOMYBZIMMWAKOS-ZDUSSCGKSA-N 2 2 245.326 2.489 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cscn1 ZINC000517356284 388547683 /nfs/dbraw/zinc/54/76/83/388547683.db2.gz XMIXUOJYSTXVIJ-SNVBAGLBSA-N 2 2 227.377 2.182 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000516571186 256793115 /nfs/dbraw/zinc/79/31/15/256793115.db2.gz TXSOIDFEZPSAMM-HNNXBMFYSA-N 2 2 248.370 2.221 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000397766809 388497385 /nfs/dbraw/zinc/49/73/85/388497385.db2.gz KCJHRBBKLZNOOL-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397785048 388498926 /nfs/dbraw/zinc/49/89/26/388498926.db2.gz YBYLMVHLSJGKLW-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000397794367 388499562 /nfs/dbraw/zinc/49/95/62/388499562.db2.gz BANJCQABDSOXBH-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397864342 388507304 /nfs/dbraw/zinc/50/73/04/388507304.db2.gz PTXROHIXJGLGDV-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000397888984 388508946 /nfs/dbraw/zinc/50/89/46/388508946.db2.gz NTYHXAYKROWDNF-QWRGUYRKSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000397882139 388509171 /nfs/dbraw/zinc/50/91/71/388509171.db2.gz ZGHNTWPTAWPFEI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cccc(C[NH2+]CC2([NH+](C)C)CC2)c1C ZINC000398000431 388514943 /nfs/dbraw/zinc/51/49/43/388514943.db2.gz SMCHBQUGIMFFOQ-UHFFFAOYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530225176 388635792 /nfs/dbraw/zinc/63/57/92/388635792.db2.gz WWCLKIBHKVCMJE-GXTWGEPZSA-N 2 2 245.370 2.325 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1(F)CC1)CCC2 ZINC000530319121 388649487 /nfs/dbraw/zinc/64/94/87/388649487.db2.gz FZZYEUSTKTXQGV-NSHDSACASA-N 2 2 237.322 2.161 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000246864036 388654361 /nfs/dbraw/zinc/65/43/61/388654361.db2.gz DDIDMQIMQRGEHS-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000246864036 388654364 /nfs/dbraw/zinc/65/43/64/388654364.db2.gz DDIDMQIMQRGEHS-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227605301 388753987 /nfs/dbraw/zinc/75/39/87/388753987.db2.gz VESDSDPLAUHMIS-YUTCNCBUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+]Cc1ccccc1)Cn1cc[nH+]c1 ZINC000195251158 388702515 /nfs/dbraw/zinc/70/25/15/388702515.db2.gz UVZQXDIHWDRSHS-CYBMUJFWSA-N 2 2 229.327 2.309 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249410951 388720832 /nfs/dbraw/zinc/72/08/32/388720832.db2.gz XYVGJFMJDSKPMR-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249410951 388720837 /nfs/dbraw/zinc/72/08/37/388720837.db2.gz XYVGJFMJDSKPMR-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000253189717 388808582 /nfs/dbraw/zinc/80/85/82/388808582.db2.gz KMSCIOWUCRMHPJ-VOAKCMCISA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000253189717 388808585 /nfs/dbraw/zinc/80/85/85/388808585.db2.gz KMSCIOWUCRMHPJ-VOAKCMCISA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)[NH+](C)C ZINC000227871515 388761547 /nfs/dbraw/zinc/76/15/47/388761547.db2.gz AKUZKVMUHNULSH-YUTCNCBUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C[C@@H](C)C1 ZINC000252191779 388761533 /nfs/dbraw/zinc/76/15/33/388761533.db2.gz VARXHSFYXMIXHN-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000252191779 388761537 /nfs/dbraw/zinc/76/15/37/388761537.db2.gz VARXHSFYXMIXHN-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000193126824 388763939 /nfs/dbraw/zinc/76/39/39/388763939.db2.gz ZPCIUTGSVGNKDN-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000193126824 388763945 /nfs/dbraw/zinc/76/39/45/388763945.db2.gz ZPCIUTGSVGNKDN-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000128513610 388768582 /nfs/dbraw/zinc/76/85/82/388768582.db2.gz SYHJTSQMOWONOX-HNNXBMFYSA-N 2 2 248.345 2.498 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C)[N@H+](C)C1CC1 ZINC000252743019 388779767 /nfs/dbraw/zinc/77/97/67/388779767.db2.gz LCSGODWUXYRKHW-NTZNESFSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000252743019 388779772 /nfs/dbraw/zinc/77/97/72/388779772.db2.gz LCSGODWUXYRKHW-NTZNESFSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000252745307 388779797 /nfs/dbraw/zinc/77/97/97/388779797.db2.gz PFAJGKJBKUPJRY-NMKXLXIOSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000252745307 388779801 /nfs/dbraw/zinc/77/98/01/388779801.db2.gz PFAJGKJBKUPJRY-NMKXLXIOSA-N 2 2 222.376 2.390 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]1C)C1CC1 ZINC000252755540 388781259 /nfs/dbraw/zinc/78/12/59/388781259.db2.gz ZTGLSOQGNHHCGA-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1C)C1CC1 ZINC000252755540 388781261 /nfs/dbraw/zinc/78/12/61/388781261.db2.gz ZTGLSOQGNHHCGA-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1C1CC1 ZINC000554658031 388825880 /nfs/dbraw/zinc/82/58/80/388825880.db2.gz WYSQNCODKGTYHZ-CYHVGBIXSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@H+]1C1CC1 ZINC000554658031 388825882 /nfs/dbraw/zinc/82/58/82/388825882.db2.gz WYSQNCODKGTYHZ-CYHVGBIXSA-N 2 2 234.387 2.390 20 0 BEADLP c1ccc2c(c1)CC(C[NH2+]CC[NH+]1CCCC1)C2 ZINC000232458932 388851584 /nfs/dbraw/zinc/85/15/84/388851584.db2.gz WXZGVYILMJJAGI-UHFFFAOYSA-N 2 2 244.382 2.087 20 0 BEADLP CC(C)C1CC([NH2+]CC[NH+]2CCCCC2)C1 ZINC000232536934 388851729 /nfs/dbraw/zinc/85/17/29/388851729.db2.gz OISNTZDTMDNIGR-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(C)(F)F)C1 ZINC000565157709 388919394 /nfs/dbraw/zinc/91/93/94/388919394.db2.gz PBGWRHNQAVLQPW-SNVBAGLBSA-N 2 2 243.301 2.255 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(C)(F)F)C1 ZINC000565157709 388919397 /nfs/dbraw/zinc/91/93/97/388919397.db2.gz PBGWRHNQAVLQPW-SNVBAGLBSA-N 2 2 243.301 2.255 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2nccn21 ZINC000565769148 388967187 /nfs/dbraw/zinc/96/71/87/388967187.db2.gz HZZFLHWVZGXUEN-VOAKCMCISA-N 2 2 248.374 2.139 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000566017552 388983787 /nfs/dbraw/zinc/98/37/87/388983787.db2.gz CIWRHMHQOGUELM-LLVKDONJSA-N 2 2 243.301 2.082 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000566017552 388983785 /nfs/dbraw/zinc/98/37/85/388983785.db2.gz CIWRHMHQOGUELM-LLVKDONJSA-N 2 2 243.301 2.082 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000400631251 533444881 /nfs/dbraw/zinc/44/48/81/533444881.db2.gz LRYLSCAQSCDCTA-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nccs1 ZINC000424376869 533520365 /nfs/dbraw/zinc/52/03/65/533520365.db2.gz QFBAZHKNXKPXAC-OPRDCNLKSA-N 2 2 225.361 2.064 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000309018373 533520955 /nfs/dbraw/zinc/52/09/55/533520955.db2.gz VPJZFHDBSWGHCT-IUCAKERBSA-N 2 2 226.286 2.257 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309897665 533528468 /nfs/dbraw/zinc/52/84/68/533528468.db2.gz GMSBMPOOTCOAAU-OUCADQQQSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309897665 533528469 /nfs/dbraw/zinc/52/84/69/533528469.db2.gz GMSBMPOOTCOAAU-OUCADQQQSA-N 2 2 218.344 2.287 20 0 BEADLP C1=CC[C@@H](C[N@@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000335996741 533480088 /nfs/dbraw/zinc/48/00/88/533480088.db2.gz ULJRYVLERRNENO-CYBMUJFWSA-N 2 2 220.360 2.123 20 0 BEADLP C1=CC[C@@H](C[N@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000335996741 533480093 /nfs/dbraw/zinc/48/00/93/533480093.db2.gz ULJRYVLERRNENO-CYBMUJFWSA-N 2 2 220.360 2.123 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400405032 533506854 /nfs/dbraw/zinc/50/68/54/533506854.db2.gz RAAYXRJCDJKHMO-OUCADQQQSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@@H]1CCCC[C@]1(C)[NH2+]CCn1cc[nH+]c1 ZINC000308693500 533633825 /nfs/dbraw/zinc/63/38/25/533633825.db2.gz JNFVJPWGKQOQPR-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1cc[nH+]c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000268323021 132192338 /nfs/dbraw/zinc/19/23/38/132192338.db2.gz NLFPNFSITGRDEA-UHFFFAOYSA-N 2 2 242.326 2.497 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000268318489 132192404 /nfs/dbraw/zinc/19/24/04/132192404.db2.gz MDSUPVYNJRGOCA-ZDUSSCGKSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000268318489 132192405 /nfs/dbraw/zinc/19/24/05/132192405.db2.gz MDSUPVYNJRGOCA-ZDUSSCGKSA-N 2 2 231.343 2.065 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347114152 133804675 /nfs/dbraw/zinc/80/46/75/133804675.db2.gz SITDTNUJGCAKJY-NPPUXFBVSA-N 2 2 234.318 2.262 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000336100865 134083320 /nfs/dbraw/zinc/08/33/20/134083320.db2.gz DYPTUSQCJICHTM-VXGBXAGGSA-N 2 2 245.326 2.450 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000336100862 134083370 /nfs/dbraw/zinc/08/33/70/134083370.db2.gz DYPTUSQCJICHTM-NEPJUHHUSA-N 2 2 245.326 2.450 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c(C)c1 ZINC000221403589 134324145 /nfs/dbraw/zinc/32/41/45/134324145.db2.gz IZLCVMLXJMIAIK-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c(C)c1 ZINC000221403589 134324146 /nfs/dbraw/zinc/32/41/46/134324146.db2.gz IZLCVMLXJMIAIK-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000221852973 134328633 /nfs/dbraw/zinc/32/86/33/134328633.db2.gz XGXCCHZBEVYPTA-JHJVBQTASA-N 2 2 221.348 2.440 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000221853029 134328645 /nfs/dbraw/zinc/32/86/45/134328645.db2.gz XGXCCHZBEVYPTA-UPJWGTAASA-N 2 2 221.348 2.440 20 0 BEADLP CC[N@H+](C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000222336823 134329012 /nfs/dbraw/zinc/32/90/12/134329012.db2.gz WNKSGXNEYMPPMA-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000222336823 134329013 /nfs/dbraw/zinc/32/90/13/134329013.db2.gz WNKSGXNEYMPPMA-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000185200842 134372942 /nfs/dbraw/zinc/37/29/42/134372942.db2.gz DVTHWXULNXUWMF-CHWSQXEVSA-N 2 2 237.347 2.093 20 0 BEADLP c1ccc([C@@H]2C[C@H]2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000135610820 134752316 /nfs/dbraw/zinc/75/23/16/134752316.db2.gz RSAMMOPCSJVPGH-HOTGVXAUSA-N 2 2 244.382 2.476 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000069801082 134903634 /nfs/dbraw/zinc/90/36/34/134903634.db2.gz MMGSNMABOMTLIX-CYBMUJFWSA-N 2 2 220.360 2.331 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000069801082 134903635 /nfs/dbraw/zinc/90/36/35/134903635.db2.gz MMGSNMABOMTLIX-CYBMUJFWSA-N 2 2 220.360 2.331 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000246993480 134967762 /nfs/dbraw/zinc/96/77/62/134967762.db2.gz KJARINNVUFPSLF-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000246993480 134967763 /nfs/dbraw/zinc/96/77/63/134967763.db2.gz KJARINNVUFPSLF-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)C1)[NH+](C)C ZINC000070683160 135007955 /nfs/dbraw/zinc/00/79/55/135007955.db2.gz JYCSSWAIKGNZPE-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000070761920 135012313 /nfs/dbraw/zinc/01/23/13/135012313.db2.gz OTAJKCQTHMVCBM-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000251209037 135066313 /nfs/dbraw/zinc/06/63/13/135066313.db2.gz BRCNEILKYAHILI-HIFRSBDPSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000251209037 135066315 /nfs/dbraw/zinc/06/63/15/135066315.db2.gz BRCNEILKYAHILI-HIFRSBDPSA-N 2 2 245.370 2.106 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000251565621 135071651 /nfs/dbraw/zinc/07/16/51/135071651.db2.gz AMFLGEJGUZEHID-UPJWGTAASA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000251565621 135071653 /nfs/dbraw/zinc/07/16/53/135071653.db2.gz AMFLGEJGUZEHID-UPJWGTAASA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251876237 135080068 /nfs/dbraw/zinc/08/00/68/135080068.db2.gz QWLHOFMKXYBXAW-FDYHWXHSSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC000251951605 135081893 /nfs/dbraw/zinc/08/18/93/135081893.db2.gz WWUVNHBQUAPBAX-LPWJVIDDSA-N 2 2 212.381 2.351 20 0 BEADLP COC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000246985083 135085747 /nfs/dbraw/zinc/08/57/47/135085747.db2.gz JYRGQOPVLOLYOH-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000246985083 135085749 /nfs/dbraw/zinc/08/57/49/135085749.db2.gz JYRGQOPVLOLYOH-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2ccsc2)[C@H]1C[NH3+] ZINC000252221319 135087810 /nfs/dbraw/zinc/08/78/10/135087810.db2.gz ZCHDXDAIDQQHTQ-JQWIXIFHSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2ccsc2)[C@H]1C[NH3+] ZINC000252221319 135087812 /nfs/dbraw/zinc/08/78/12/135087812.db2.gz ZCHDXDAIDQQHTQ-JQWIXIFHSA-N 2 2 224.373 2.307 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)C(C)C ZINC000252408410 135088907 /nfs/dbraw/zinc/08/89/07/135088907.db2.gz IUDVKICZHWJTJD-VXGBXAGGSA-N 2 2 200.370 2.336 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)C(C)C ZINC000252408410 135088910 /nfs/dbraw/zinc/08/89/10/135088910.db2.gz IUDVKICZHWJTJD-VXGBXAGGSA-N 2 2 200.370 2.336 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000086725239 135095304 /nfs/dbraw/zinc/09/53/04/135095304.db2.gz JVINQPUIGCVWCU-RYUDHWBXSA-N 2 2 204.317 2.008 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c(C)s1 ZINC000086727557 135095546 /nfs/dbraw/zinc/09/55/46/135095546.db2.gz TZHDUSHYGYLFGO-ONGXEEELSA-N 2 2 224.373 2.377 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000252787556 135109538 /nfs/dbraw/zinc/10/95/38/135109538.db2.gz QODVNPOHHQVYKJ-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H]1C ZINC000252787556 135109540 /nfs/dbraw/zinc/10/95/40/135109540.db2.gz QODVNPOHHQVYKJ-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1F ZINC000261580128 135109773 /nfs/dbraw/zinc/10/97/73/135109773.db2.gz MRPYNBRKOUIEEA-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1F ZINC000261580128 135109774 /nfs/dbraw/zinc/10/97/74/135109774.db2.gz MRPYNBRKOUIEEA-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000252971918 135118840 /nfs/dbraw/zinc/11/88/40/135118840.db2.gz YTINUBKSFXQFMP-IGQOVBAYSA-N 2 2 242.407 2.168 20 0 BEADLP Cc1csc(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000087393662 135128001 /nfs/dbraw/zinc/12/80/01/135128001.db2.gz ABVZFISSGYIDFW-NSHDSACASA-N 2 2 239.388 2.155 20 0 BEADLP Cc1csc(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000087393662 135128002 /nfs/dbraw/zinc/12/80/02/135128002.db2.gz ABVZFISSGYIDFW-NSHDSACASA-N 2 2 239.388 2.155 20 0 BEADLP c1ccc2cc(C[NH2+][C@@H]3CC[NH2+]C3)ccc2c1 ZINC000259094862 135136706 /nfs/dbraw/zinc/13/67/06/135136706.db2.gz RWVNAZQOKWYSQN-OAHLLOKOSA-N 2 2 226.323 2.291 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000259014007 135136944 /nfs/dbraw/zinc/13/69/44/135136944.db2.gz NUKVXXVRNZHHIU-CQSZACIVSA-N 2 2 218.344 2.063 20 0 BEADLP COc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1Cl ZINC000259953423 135145922 /nfs/dbraw/zinc/14/59/22/135145922.db2.gz GVGULYWYRGNFDP-VIFPVBQESA-N 2 2 242.750 2.128 20 0 BEADLP COc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1Cl ZINC000259953423 135145923 /nfs/dbraw/zinc/14/59/23/135145923.db2.gz GVGULYWYRGNFDP-VIFPVBQESA-N 2 2 242.750 2.128 20 0 BEADLP CCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1F ZINC000259950364 135146235 /nfs/dbraw/zinc/14/62/35/135146235.db2.gz GOPJRDZWQQVTEM-SNVBAGLBSA-N 2 2 240.322 2.003 20 0 BEADLP CCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1F ZINC000259950364 135146236 /nfs/dbraw/zinc/14/62/36/135146236.db2.gz GOPJRDZWQQVTEM-SNVBAGLBSA-N 2 2 240.322 2.003 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])c(C)c1 ZINC000260091138 135147088 /nfs/dbraw/zinc/14/70/88/135147088.db2.gz OANXCJPNNCKJTC-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])c(C)c1 ZINC000260091138 135147090 /nfs/dbraw/zinc/14/70/90/135147090.db2.gz OANXCJPNNCKJTC-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261545689 135150286 /nfs/dbraw/zinc/15/02/86/135150286.db2.gz GIXATRQKEHCIDR-DGCLKSJQSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261545689 135150287 /nfs/dbraw/zinc/15/02/87/135150287.db2.gz GIXATRQKEHCIDR-DGCLKSJQSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000261529060 135154726 /nfs/dbraw/zinc/15/47/26/135154726.db2.gz AFUAFBCHHIXVQG-GXSJLCMTSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000261529060 135154728 /nfs/dbraw/zinc/15/47/28/135154728.db2.gz AFUAFBCHHIXVQG-GXSJLCMTSA-N 2 2 210.346 2.232 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261533681 135166047 /nfs/dbraw/zinc/16/60/47/135166047.db2.gz JXNLTSXVMFUDCH-TZMCWYRMSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261533681 135166048 /nfs/dbraw/zinc/16/60/48/135166048.db2.gz JXNLTSXVMFUDCH-TZMCWYRMSA-N 2 2 218.344 2.082 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535005 135168620 /nfs/dbraw/zinc/16/86/20/135168620.db2.gz VLYTXDAUVIBVIK-GBIKHYSHSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535005 135168622 /nfs/dbraw/zinc/16/86/22/135168622.db2.gz VLYTXDAUVIBVIK-GBIKHYSHSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H]1c2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000261539331 135177611 /nfs/dbraw/zinc/17/76/11/135177611.db2.gz CDDHWPNUPYITHL-JTQLQIEISA-N 2 2 204.317 2.301 20 0 BEADLP C[C@H]1c2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000261539331 135177613 /nfs/dbraw/zinc/17/76/13/135177613.db2.gz CDDHWPNUPYITHL-JTQLQIEISA-N 2 2 204.317 2.301 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000261543786 135184748 /nfs/dbraw/zinc/18/47/48/135184748.db2.gz UWNJFJQWNQPCLB-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000261543786 135184750 /nfs/dbraw/zinc/18/47/50/135184750.db2.gz UWNJFJQWNQPCLB-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000261543634 135184922 /nfs/dbraw/zinc/18/49/22/135184922.db2.gz DCLNLTXPWKDTOS-ZDUSSCGKSA-N 2 2 242.313 2.428 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261544349 135185441 /nfs/dbraw/zinc/18/54/41/135185441.db2.gz DTQHZUBFWNIOLX-NSHDSACASA-N 2 2 236.359 2.392 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261560606 135201353 /nfs/dbraw/zinc/20/13/53/135201353.db2.gz ACTINISEJWCZFH-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261560606 135201354 /nfs/dbraw/zinc/20/13/54/135201354.db2.gz ACTINISEJWCZFH-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261561344 135202497 /nfs/dbraw/zinc/20/24/97/135202497.db2.gz FWUHTFLRSKVFKK-SWLSCSKDSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261561344 135202498 /nfs/dbraw/zinc/20/24/98/135202498.db2.gz FWUHTFLRSKVFKK-SWLSCSKDSA-N 2 2 248.370 2.397 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562057 135203959 /nfs/dbraw/zinc/20/39/59/135203959.db2.gz VYZREHNXPKPQSN-OCCSQVGLSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562057 135203960 /nfs/dbraw/zinc/20/39/60/135203960.db2.gz VYZREHNXPKPQSN-OCCSQVGLSA-N 2 2 234.318 2.010 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261565636 135207643 /nfs/dbraw/zinc/20/76/43/135207643.db2.gz DCAKQNBEYLAIAQ-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261565636 135207645 /nfs/dbraw/zinc/20/76/45/135207645.db2.gz DCAKQNBEYLAIAQ-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000261565721 135208231 /nfs/dbraw/zinc/20/82/31/135208231.db2.gz DDDIEMODFKSLBO-STQMWFEESA-N 2 2 218.344 2.465 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261569746 135212378 /nfs/dbraw/zinc/21/23/78/135212378.db2.gz GNHUXNCXIZFQHB-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261569746 135212380 /nfs/dbraw/zinc/21/23/80/135212380.db2.gz GNHUXNCXIZFQHB-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP Cc1csc(C[NH2+]CCC[N@@H+](C)C(C)C)n1 ZINC000164133868 135213336 /nfs/dbraw/zinc/21/33/36/135213336.db2.gz SQGAQCDMDAWDPW-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP Cc1csc(C[NH2+]CCC[N@H+](C)C(C)C)n1 ZINC000164133868 135213338 /nfs/dbraw/zinc/21/33/38/135213338.db2.gz SQGAQCDMDAWDPW-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000164146523 135214975 /nfs/dbraw/zinc/21/49/75/135214975.db2.gz XVKQXGHQIACEON-ZDUSSCGKSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000164146523 135214976 /nfs/dbraw/zinc/21/49/76/135214976.db2.gz XVKQXGHQIACEON-ZDUSSCGKSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000261580978 135221229 /nfs/dbraw/zinc/22/12/29/135221229.db2.gz QGRFWSISNQKEQI-DZGCQCFKSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000261580978 135221231 /nfs/dbraw/zinc/22/12/31/135221231.db2.gz QGRFWSISNQKEQI-DZGCQCFKSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)ccc1F ZINC000261587909 135228660 /nfs/dbraw/zinc/22/86/60/135228660.db2.gz RYIZNGLZYBMUTP-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)ccc1F ZINC000261587909 135228661 /nfs/dbraw/zinc/22/86/61/135228661.db2.gz RYIZNGLZYBMUTP-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C/C=C/c1ccccc1 ZINC000261591091 135231964 /nfs/dbraw/zinc/23/19/64/135231964.db2.gz UYPYBGJOPXZSMI-PDCFVHEKSA-N 2 2 216.328 2.121 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C/C=C/c1ccccc1 ZINC000261591091 135231965 /nfs/dbraw/zinc/23/19/65/135231965.db2.gz UYPYBGJOPXZSMI-PDCFVHEKSA-N 2 2 216.328 2.121 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@H](C)[NH3+] ZINC000261599010 135237706 /nfs/dbraw/zinc/23/77/06/135237706.db2.gz ZRHUQPKUJOHSJJ-YIZRAAEISA-N 2 2 228.286 2.351 20 0 BEADLP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@H]1[NH3+] ZINC000261546099 135238195 /nfs/dbraw/zinc/23/81/95/135238195.db2.gz NGXORWXWSCTMFG-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@H]1[NH3+] ZINC000261546099 135238196 /nfs/dbraw/zinc/23/81/96/135238196.db2.gz NGXORWXWSCTMFG-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000261547251 135240237 /nfs/dbraw/zinc/24/02/37/135240237.db2.gz HURABPNAUDXVRL-TVQRCGJNSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000261753544 135249867 /nfs/dbraw/zinc/24/98/67/135249867.db2.gz CIGWWKSGSYGYBG-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000261753544 135249868 /nfs/dbraw/zinc/24/98/68/135249868.db2.gz CIGWWKSGSYGYBG-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP FC(F)[C@H]1C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342233013 135254813 /nfs/dbraw/zinc/25/48/13/135254813.db2.gz OQNKVAGSZUEHJX-UWVGGRQHSA-N 2 2 237.253 2.078 20 0 BEADLP C[C@]1(C[N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC000261885211 135260041 /nfs/dbraw/zinc/26/00/41/135260041.db2.gz RVBFLGJJOKZBIA-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@]1(C[N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]C1 ZINC000261885211 135260042 /nfs/dbraw/zinc/26/00/42/135260042.db2.gz RVBFLGJJOKZBIA-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261954996 135266111 /nfs/dbraw/zinc/26/61/11/135266111.db2.gz GPFOIKANUGYLGQ-OCCSQVGLSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261954996 135266112 /nfs/dbraw/zinc/26/61/12/135266112.db2.gz GPFOIKANUGYLGQ-OCCSQVGLSA-N 2 2 248.370 2.253 20 0 BEADLP C[NH2+]CC[N@H+](C)CCSCc1ccccc1 ZINC000262045368 135275822 /nfs/dbraw/zinc/27/58/22/135275822.db2.gz YWURSDYFEUHQTJ-UHFFFAOYSA-N 2 2 238.400 2.071 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCSCc1ccccc1 ZINC000262045368 135275823 /nfs/dbraw/zinc/27/58/23/135275823.db2.gz YWURSDYFEUHQTJ-UHFFFAOYSA-N 2 2 238.400 2.071 20 0 BEADLP C[C@]1(C[N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]C1 ZINC000262087741 135277846 /nfs/dbraw/zinc/27/78/46/135277846.db2.gz ULXDSQBHBZVADQ-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@]1(C[N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]C1 ZINC000262087741 135277847 /nfs/dbraw/zinc/27/78/47/135277847.db2.gz ULXDSQBHBZVADQ-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000262102546 135278276 /nfs/dbraw/zinc/27/82/76/135278276.db2.gz JBIKGGSJZZEHCO-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000262102546 135278278 /nfs/dbraw/zinc/27/82/78/135278278.db2.gz JBIKGGSJZZEHCO-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000262991615 135325965 /nfs/dbraw/zinc/32/59/65/135325965.db2.gz NVUYQLNYJCDEQC-LBPRGKRZSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000262991615 135325966 /nfs/dbraw/zinc/32/59/66/135325966.db2.gz NVUYQLNYJCDEQC-LBPRGKRZSA-N 2 2 238.762 2.306 20 0 BEADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000334226051 135329445 /nfs/dbraw/zinc/32/94/45/135329445.db2.gz MSIZRQLHMUFZEY-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP C[N@H+]1CCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000334226051 135329446 /nfs/dbraw/zinc/32/94/46/135329446.db2.gz MSIZRQLHMUFZEY-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP Cc1cc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc[nH+]1 ZINC000263079314 135331313 /nfs/dbraw/zinc/33/13/13/135331313.db2.gz XJABYFRCFZNTDT-TZMCWYRMSA-N 2 2 247.342 2.236 20 0 BEADLP Cc1cc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc[nH+]1 ZINC000263079309 135331367 /nfs/dbraw/zinc/33/13/67/135331367.db2.gz XJABYFRCFZNTDT-OCCSQVGLSA-N 2 2 247.342 2.236 20 0 BEADLP CC(C)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343146170 135360644 /nfs/dbraw/zinc/36/06/44/135360644.db2.gz FEUWEGPEUGKLSU-LBPRGKRZSA-N 2 2 209.337 2.250 20 0 BEADLP CC(C)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343146170 135360645 /nfs/dbraw/zinc/36/06/45/135360645.db2.gz FEUWEGPEUGKLSU-LBPRGKRZSA-N 2 2 209.337 2.250 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)s1 ZINC000299892899 135380652 /nfs/dbraw/zinc/38/06/52/135380652.db2.gz FNECKUUEHQZFND-WCQYABFASA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)s1 ZINC000299892899 135380653 /nfs/dbraw/zinc/38/06/53/135380653.db2.gz FNECKUUEHQZFND-WCQYABFASA-N 2 2 236.384 2.240 20 0 BEADLP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](C)[NH3+])CCC2 ZINC000334386352 135382065 /nfs/dbraw/zinc/38/20/65/135382065.db2.gz NPHJEZVHSZWWQY-LDYMZIIASA-N 2 2 239.388 2.108 20 0 BEADLP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](C)[NH3+])CCC2 ZINC000334386352 135382067 /nfs/dbraw/zinc/38/20/67/135382067.db2.gz NPHJEZVHSZWWQY-LDYMZIIASA-N 2 2 239.388 2.108 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1C ZINC000299920060 135382199 /nfs/dbraw/zinc/38/21/99/135382199.db2.gz NNLFOHTXTYFYDB-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1C ZINC000299920060 135382201 /nfs/dbraw/zinc/38/22/01/135382201.db2.gz NNLFOHTXTYFYDB-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC000081568972 135387082 /nfs/dbraw/zinc/38/70/82/135387082.db2.gz CYFXLZRSRSCBNT-CQSZACIVSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC000081568972 135387084 /nfs/dbraw/zinc/38/70/84/135387084.db2.gz CYFXLZRSRSCBNT-CQSZACIVSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000081568972 135387085 /nfs/dbraw/zinc/38/70/85/135387085.db2.gz CYFXLZRSRSCBNT-CQSZACIVSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000081568972 135387087 /nfs/dbraw/zinc/38/70/87/135387087.db2.gz CYFXLZRSRSCBNT-CQSZACIVSA-N 2 2 247.386 2.245 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000081637262 135388718 /nfs/dbraw/zinc/38/87/18/135388718.db2.gz OMJVTCCGZXWRFG-KGLIPLIRSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000334405935 135394402 /nfs/dbraw/zinc/39/44/02/135394402.db2.gz HOJPAJTUFDPULV-QWRGUYRKSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000334405935 135394403 /nfs/dbraw/zinc/39/44/03/135394403.db2.gz HOJPAJTUFDPULV-QWRGUYRKSA-N 2 2 242.326 2.013 20 0 BEADLP CCCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347648129 136000603 /nfs/dbraw/zinc/00/06/03/136000603.db2.gz GVKZDHHHNLPKIZ-UHFFFAOYSA-N 2 2 241.404 2.437 20 0 BEADLP CCCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347648129 136000604 /nfs/dbraw/zinc/00/06/04/136000604.db2.gz GVKZDHHHNLPKIZ-UHFFFAOYSA-N 2 2 241.404 2.437 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cncs1 ZINC000335283674 136001502 /nfs/dbraw/zinc/00/15/02/136001502.db2.gz GMAKRIGHICOIAO-VHSXEESVSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000348081617 136035044 /nfs/dbraw/zinc/03/50/44/136035044.db2.gz KXYKUTURKCJATQ-BQPHKTIFSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[N@H+]1C1CC1 ZINC000348081617 136035045 /nfs/dbraw/zinc/03/50/45/136035045.db2.gz KXYKUTURKCJATQ-BQPHKTIFSA-N 2 2 234.387 2.390 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(C)CCCOC1 ZINC000348131683 136038245 /nfs/dbraw/zinc/03/82/45/136038245.db2.gz SIKFYVJOTIECFX-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000348227453 136048269 /nfs/dbraw/zinc/04/82/69/136048269.db2.gz DPQCDNHUUNFAIW-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP COC1CC[NH+](C(C)(C)C[NH2+]CC(C)C)CC1 ZINC000348262045 136057845 /nfs/dbraw/zinc/05/78/45/136057845.db2.gz IACBWBHASFPZEE-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@@H+]1C1CC1 ZINC000348324694 136069861 /nfs/dbraw/zinc/06/98/61/136069861.db2.gz KYWMWKFQRNIYFW-NWDGAFQWSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@H+]1C1CC1 ZINC000348324694 136069862 /nfs/dbraw/zinc/06/98/62/136069862.db2.gz KYWMWKFQRNIYFW-NWDGAFQWSA-N 2 2 240.366 2.484 20 0 BEADLP Cc1cc(N2CC[N@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000348369696 136073117 /nfs/dbraw/zinc/07/31/17/136073117.db2.gz VELDRIBNEOVWIE-GFCCVEGCSA-N 2 2 248.374 2.049 20 0 BEADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000348369696 136073118 /nfs/dbraw/zinc/07/31/18/136073118.db2.gz VELDRIBNEOVWIE-GFCCVEGCSA-N 2 2 248.374 2.049 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](C)CC(C)C ZINC000647540479 397782388 /nfs/dbraw/zinc/78/23/88/397782388.db2.gz UVBODJKEKBSTQW-AGIUHOORSA-N 2 2 230.371 2.300 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](C)CC(C)C ZINC000647540479 397782390 /nfs/dbraw/zinc/78/23/90/397782390.db2.gz UVBODJKEKBSTQW-AGIUHOORSA-N 2 2 230.371 2.300 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000449232621 397952603 /nfs/dbraw/zinc/95/26/03/397952603.db2.gz IOCGOPPBTZBTDR-DYEKYZERSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000449232621 397952607 /nfs/dbraw/zinc/95/26/07/397952607.db2.gz IOCGOPPBTZBTDR-DYEKYZERSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1C1CC1)[NH+](C)C ZINC000449556052 397956094 /nfs/dbraw/zinc/95/60/94/397956094.db2.gz KHUCDOIHVKAVTG-CYZMBNFOSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537870 397919142 /nfs/dbraw/zinc/91/91/42/397919142.db2.gz SPCWVAVUJBFSJL-AGIUHOORSA-N 2 2 236.334 2.346 20 0 BEADLP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643537947 397919925 /nfs/dbraw/zinc/91/99/25/397919925.db2.gz VHXUDCFDPABLEQ-TUAOUCFPSA-N 2 2 228.355 2.245 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000649616949 397999488 /nfs/dbraw/zinc/99/94/88/397999488.db2.gz UVZOFQQIJZVRQM-UTUOFQBUSA-N 2 2 244.329 2.058 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000649616949 397999489 /nfs/dbraw/zinc/99/94/89/397999489.db2.gz UVZOFQQIJZVRQM-UTUOFQBUSA-N 2 2 244.329 2.058 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000649616949 397999492 /nfs/dbraw/zinc/99/94/92/397999492.db2.gz UVZOFQQIJZVRQM-UTUOFQBUSA-N 2 2 244.329 2.058 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000649616949 397999495 /nfs/dbraw/zinc/99/94/95/397999495.db2.gz UVZOFQQIJZVRQM-UTUOFQBUSA-N 2 2 244.329 2.058 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414792123 398038916 /nfs/dbraw/zinc/03/89/16/398038916.db2.gz ISDDWYRMLQBWPF-ZDUSSCGKSA-N 2 2 236.359 2.158 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000649585755 397974675 /nfs/dbraw/zinc/97/46/75/397974675.db2.gz FLKXSHMLFMLXOG-CQSZACIVSA-N 2 2 247.386 2.309 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000649585755 397974678 /nfs/dbraw/zinc/97/46/78/397974678.db2.gz FLKXSHMLFMLXOG-CQSZACIVSA-N 2 2 247.386 2.309 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272625692 397980785 /nfs/dbraw/zinc/98/07/85/397980785.db2.gz MNNJFUBWGPABCX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272625692 397980789 /nfs/dbraw/zinc/98/07/89/397980789.db2.gz MNNJFUBWGPABCX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272625692 397980793 /nfs/dbraw/zinc/98/07/93/397980793.db2.gz MNNJFUBWGPABCX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272625692 397980796 /nfs/dbraw/zinc/98/07/96/397980796.db2.gz MNNJFUBWGPABCX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285639707 398078642 /nfs/dbraw/zinc/07/86/42/398078642.db2.gz XSBGOXBARCNYCK-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285639707 398078645 /nfs/dbraw/zinc/07/86/45/398078645.db2.gz XSBGOXBARCNYCK-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285639707 398078647 /nfs/dbraw/zinc/07/86/47/398078647.db2.gz XSBGOXBARCNYCK-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285639707 398078649 /nfs/dbraw/zinc/07/86/49/398078649.db2.gz XSBGOXBARCNYCK-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000309603516 398103267 /nfs/dbraw/zinc/10/32/67/398103267.db2.gz YDBJGCMURVMOPR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000309603516 398103272 /nfs/dbraw/zinc/10/32/72/398103272.db2.gz YDBJGCMURVMOPR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574641 171364446 /nfs/dbraw/zinc/36/44/46/171364446.db2.gz FVEOGRVZVMUETE-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000258823512 322876946 /nfs/dbraw/zinc/87/69/46/322876946.db2.gz ULWKZKPJLDKROH-UHFFFAOYSA-N 2 2 244.338 2.157 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000258883353 322878108 /nfs/dbraw/zinc/87/81/08/322878108.db2.gz KQHPHZWFUXMNJD-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1ccc(OC)cc1Cl ZINC000258830912 322878411 /nfs/dbraw/zinc/87/84/11/322878411.db2.gz VFLCNZYGGSTFQC-UHFFFAOYSA-N 2 2 242.750 2.048 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000258850345 322878936 /nfs/dbraw/zinc/87/89/36/322878936.db2.gz HUHOLZKKUCFBOG-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)n1C ZINC000667464818 487561271 /nfs/dbraw/zinc/56/12/71/487561271.db2.gz CHBUBXUVFKFNTI-CQSZACIVSA-N 2 2 244.342 2.394 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)n1C ZINC000667464818 487561273 /nfs/dbraw/zinc/56/12/73/487561273.db2.gz CHBUBXUVFKFNTI-CQSZACIVSA-N 2 2 244.342 2.394 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C2(CO)CCC2)c[nH+]1 ZINC000668801657 487562938 /nfs/dbraw/zinc/56/29/38/487562938.db2.gz JWPZXWPORBIZHJ-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C2(CO)CCC2)c[nH+]1 ZINC000668801657 487562943 /nfs/dbraw/zinc/56/29/43/487562943.db2.gz JWPZXWPORBIZHJ-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327585 487563504 /nfs/dbraw/zinc/56/35/04/487563504.db2.gz IJFOZXOIMATKEW-PWSUYJOCSA-N 2 2 224.373 2.021 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C[C@H]2CC2(C)C)n1C ZINC000668814111 487581440 /nfs/dbraw/zinc/58/14/40/487581440.db2.gz ACEQTUHFWCENMA-LLVKDONJSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H]2CC2(C)C)n1C ZINC000668814111 487581443 /nfs/dbraw/zinc/58/14/43/487581443.db2.gz ACEQTUHFWCENMA-LLVKDONJSA-N 2 2 221.348 2.206 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232461325 487595708 /nfs/dbraw/zinc/59/57/08/487595708.db2.gz DEHGDMBVIFOPFP-HIFRSBDPSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000334863281 487609469 /nfs/dbraw/zinc/60/94/69/487609469.db2.gz MLCDVIQMIUYLJS-OCCSQVGLSA-N 2 2 218.344 2.083 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662277210 409589202 /nfs/dbraw/zinc/58/92/02/409589202.db2.gz SMNSOWFQJGDTFI-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662277210 409589211 /nfs/dbraw/zinc/58/92/11/409589211.db2.gz SMNSOWFQJGDTFI-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662277218 409590377 /nfs/dbraw/zinc/59/03/77/409590377.db2.gz SMNSOWFQJGDTFI-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662277218 409590380 /nfs/dbraw/zinc/59/03/80/409590380.db2.gz SMNSOWFQJGDTFI-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC[C@H]1F ZINC000663504866 410278210 /nfs/dbraw/zinc/27/82/10/410278210.db2.gz AXZQWFDQVXNHBY-HUUCEWRRSA-N 2 2 248.345 2.046 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC[C@H]1F ZINC000663504866 410278215 /nfs/dbraw/zinc/27/82/15/410278215.db2.gz AXZQWFDQVXNHBY-HUUCEWRRSA-N 2 2 248.345 2.046 20 0 BEADLP c1cc2c(c(C[NH2+][C@H]3CCCC[NH2+]C3)c1)CCC2 ZINC000650704437 410336546 /nfs/dbraw/zinc/33/65/46/410336546.db2.gz YYXLKXSURXZCEY-HNNXBMFYSA-N 2 2 244.382 2.407 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000328147622 487616624 /nfs/dbraw/zinc/61/66/24/487616624.db2.gz CNXXZFLYOYYOSN-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 ZINC000328147622 487616626 /nfs/dbraw/zinc/61/66/26/487616626.db2.gz CNXXZFLYOYYOSN-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000665296910 410816968 /nfs/dbraw/zinc/81/69/68/410816968.db2.gz ZOUPXKGNYSMSQG-RNCFNFMXSA-N 2 2 222.307 2.011 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000665295567 410793173 /nfs/dbraw/zinc/79/31/73/410793173.db2.gz GCMVIXWXJQYNFR-HZMBPMFUSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000665295712 410794989 /nfs/dbraw/zinc/79/49/89/410794989.db2.gz IBNILRZKMKQYKJ-NOZJJQNGSA-N 2 2 222.307 2.011 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000665297749 410816303 /nfs/dbraw/zinc/81/63/03/410816303.db2.gz LCUJQSQGFNUJBJ-HUBLWGQQSA-N 2 2 232.371 2.426 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000665295832 410800816 /nfs/dbraw/zinc/80/08/16/410800816.db2.gz KAQXSGDKJGOJSE-IINYFYTJSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000665298707 410828337 /nfs/dbraw/zinc/82/83/37/410828337.db2.gz ZYSYKXJWYHVWSG-QWRGUYRKSA-N 2 2 238.379 2.031 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000665298809 410832146 /nfs/dbraw/zinc/83/21/46/410832146.db2.gz AGGIMOKNZUVLJW-RYUDHWBXSA-N 2 2 236.359 2.262 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336751941 167006356 /nfs/dbraw/zinc/00/63/56/167006356.db2.gz GTDJYXSFVWTVHM-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336751941 167006357 /nfs/dbraw/zinc/00/63/57/167006357.db2.gz GTDJYXSFVWTVHM-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166777 167011334 /nfs/dbraw/zinc/01/13/34/167011334.db2.gz GDDPJWXPLTVZQK-LBPRGKRZSA-N 2 2 200.370 2.208 20 0 BEADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1(C)C ZINC000361239537 167280240 /nfs/dbraw/zinc/28/02/40/167280240.db2.gz VOJPPANYXHVGBI-FRRDWIJNSA-N 2 2 242.407 2.118 20 0 BEADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094077236 167301396 /nfs/dbraw/zinc/30/13/96/167301396.db2.gz PXDGNAVOARRILB-GXTWGEPZSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336684531 167331480 /nfs/dbraw/zinc/33/14/80/167331480.db2.gz ZQGHBIYJNOEXPB-NWDGAFQWSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336684531 167331482 /nfs/dbraw/zinc/33/14/82/167331482.db2.gz ZQGHBIYJNOEXPB-NWDGAFQWSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028456 167382228 /nfs/dbraw/zinc/38/22/28/167382228.db2.gz TZXZXILTHBXYRE-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028454 167382408 /nfs/dbraw/zinc/38/24/08/167382408.db2.gz TZXZXILTHBXYRE-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439599 167384731 /nfs/dbraw/zinc/38/47/31/167384731.db2.gz VTXNYOYOYHVAKM-LLVKDONJSA-N 2 2 221.348 2.354 20 0 BEADLP CC[C@]1([NH2+]CCc2cc[nH+]cc2C)CCOC1 ZINC000397521515 410927223 /nfs/dbraw/zinc/92/72/23/410927223.db2.gz FOGHVVKTFIDLAZ-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000104246469 410931187 /nfs/dbraw/zinc/93/11/87/410931187.db2.gz JBWPBPCLHRIPPQ-LBPRGKRZSA-N 2 2 247.342 2.108 20 0 BEADLP c1cn(CC[NH2+]Cc2cccc3c2CCC3)c[nH+]1 ZINC000651668629 411134288 /nfs/dbraw/zinc/13/42/88/411134288.db2.gz RVSUXEGLMHXBJW-UHFFFAOYSA-N 2 2 241.338 2.162 20 0 BEADLP CC(C)c1nc(NC2CC[NH+](C)CC2)cc[nH+]1 ZINC000110117440 167688709 /nfs/dbraw/zinc/68/87/09/167688709.db2.gz OSFFURDUEMVSRN-UHFFFAOYSA-N 2 2 234.347 2.106 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657931999 411171211 /nfs/dbraw/zinc/17/12/11/411171211.db2.gz UZNGGIFFBCWACY-CQSZACIVSA-N 2 2 246.354 2.234 20 0 BEADLP Cc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000401031729 411173693 /nfs/dbraw/zinc/17/36/93/411173693.db2.gz PWRXBJNXDLKTTG-FRRDWIJNSA-N 2 2 231.343 2.190 20 0 BEADLP CCOC1CC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658094610 411242880 /nfs/dbraw/zinc/24/28/80/411242880.db2.gz ZDXNVKAITMCWOY-HIFPTAJRSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC1CC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658094610 411242883 /nfs/dbraw/zinc/24/28/83/411242883.db2.gz ZDXNVKAITMCWOY-HIFPTAJRSA-N 2 2 240.391 2.016 20 0 BEADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658094647 411242911 /nfs/dbraw/zinc/24/29/11/411242911.db2.gz ZQZNKMCHKULZLA-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658094647 411242913 /nfs/dbraw/zinc/24/29/13/411242913.db2.gz ZQZNKMCHKULZLA-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658094644 411243240 /nfs/dbraw/zinc/24/32/40/411243240.db2.gz ZQZNKMCHKULZLA-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658094644 411243242 /nfs/dbraw/zinc/24/32/42/411243242.db2.gz ZQZNKMCHKULZLA-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000309623085 411188164 /nfs/dbraw/zinc/18/81/64/411188164.db2.gz IAZUUCGCXXPKBE-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000309623085 411188167 /nfs/dbraw/zinc/18/81/67/411188167.db2.gz IAZUUCGCXXPKBE-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)CS1 ZINC000655758117 411189274 /nfs/dbraw/zinc/18/92/74/411189274.db2.gz QWNHXIPLVDKMHX-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000658097187 411244827 /nfs/dbraw/zinc/24/48/27/411244827.db2.gz VRGMNRRMJMPZEH-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000658097187 411244830 /nfs/dbraw/zinc/24/48/30/411244830.db2.gz VRGMNRRMJMPZEH-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223539749 411208167 /nfs/dbraw/zinc/20/81/67/411208167.db2.gz PNDDAGVYORALHA-WZRBSPASSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223539749 411208169 /nfs/dbraw/zinc/20/81/69/411208169.db2.gz PNDDAGVYORALHA-WZRBSPASSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[N@H+](CC[NH3+])CCc2ccc(Cl)cc21 ZINC000652353594 411212503 /nfs/dbraw/zinc/21/25/03/411212503.db2.gz UGUJWRJOOLXSPO-SNVBAGLBSA-N 2 2 238.762 2.260 20 0 BEADLP C[C@@H]1C[N@@H+](CC[NH3+])CCc2ccc(Cl)cc21 ZINC000652353594 411212505 /nfs/dbraw/zinc/21/25/05/411212505.db2.gz UGUJWRJOOLXSPO-SNVBAGLBSA-N 2 2 238.762 2.260 20 0 BEADLP Cc1nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000656226191 411215662 /nfs/dbraw/zinc/21/56/62/411215662.db2.gz LLZXDBHCPNDIMN-QWHCGFSZSA-N 2 2 246.358 2.214 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053869 411220843 /nfs/dbraw/zinc/22/08/43/411220843.db2.gz BSNNXKPHTWBHAI-NWDGAFQWSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053869 411220844 /nfs/dbraw/zinc/22/08/44/411220844.db2.gz BSNNXKPHTWBHAI-NWDGAFQWSA-N 2 2 212.381 2.493 20 0 BEADLP CCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680295 411222546 /nfs/dbraw/zinc/22/25/46/411222546.db2.gz JBJWXZMEWWYCFM-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC1CC([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000658057758 411223778 /nfs/dbraw/zinc/22/37/78/411223778.db2.gz BNOOSURTCGONSF-HTAVTVPLSA-N 2 2 210.365 2.247 20 0 BEADLP CC1CC([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658057758 411223783 /nfs/dbraw/zinc/22/37/83/411223783.db2.gz BNOOSURTCGONSF-HTAVTVPLSA-N 2 2 210.365 2.247 20 0 BEADLP CCC(CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683520 411224041 /nfs/dbraw/zinc/22/40/41/411224041.db2.gz FUOVYZHNGVLRPM-CQSZACIVSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000658060188 411226594 /nfs/dbraw/zinc/22/65/94/411226594.db2.gz XXSFAHPZLYEBRM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000658060188 411226597 /nfs/dbraw/zinc/22/65/97/411226597.db2.gz XXSFAHPZLYEBRM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)[C@H]1C ZINC000658060117 411227259 /nfs/dbraw/zinc/22/72/59/411227259.db2.gz JRZNXDGDQUVOTL-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)[C@H]1C ZINC000658060117 411227260 /nfs/dbraw/zinc/22/72/60/411227260.db2.gz JRZNXDGDQUVOTL-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCO1 ZINC000660096231 411231104 /nfs/dbraw/zinc/23/11/04/411231104.db2.gz XVSISNCFTRKRHW-DGCLKSJQSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]([NH2+]C1(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422940224 411234823 /nfs/dbraw/zinc/23/48/23/411234823.db2.gz SNRIQKDXNRPKHM-JSGCOSHPSA-N 2 2 230.355 2.406 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000658089637 411241400 /nfs/dbraw/zinc/24/14/00/411241400.db2.gz ANTXZUYZNFKLEI-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000658089637 411241402 /nfs/dbraw/zinc/24/14/02/411241402.db2.gz ANTXZUYZNFKLEI-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)s1 ZINC000401670746 411279803 /nfs/dbraw/zinc/27/98/03/411279803.db2.gz LDHSSVOYOPTVDP-ONGXEEELSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000186277800 411292814 /nfs/dbraw/zinc/29/28/14/411292814.db2.gz YXVOTCOAFGNLRS-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000186277800 411292817 /nfs/dbraw/zinc/29/28/17/411292817.db2.gz YXVOTCOAFGNLRS-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP COCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658239481 411308209 /nfs/dbraw/zinc/30/82/09/411308209.db2.gz DHGWWPPZCJJLPC-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1cccc(O)c1 ZINC000401753976 411318146 /nfs/dbraw/zinc/31/81/46/411318146.db2.gz ZOYIBPGPJWCDEX-LOWVWBTDSA-N 2 2 234.343 2.041 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2CC)C1 ZINC000658285614 411322709 /nfs/dbraw/zinc/32/27/09/411322709.db2.gz LOKLJYZSGQSWKW-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2CC)C1 ZINC000658285614 411322712 /nfs/dbraw/zinc/32/27/12/411322712.db2.gz LOKLJYZSGQSWKW-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP FC1CC2(C1)C[NH+](Cc1cccc3[nH+]ccn31)C2 ZINC000656695527 411332760 /nfs/dbraw/zinc/33/27/60/411332760.db2.gz JEYCPDFPVAWVJX-UHFFFAOYSA-N 2 2 245.301 2.268 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293264 411325448 /nfs/dbraw/zinc/32/54/48/411325448.db2.gz LAYCDOUFJBUDDA-CJQNXBEJSA-N 2 2 242.382 2.443 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293264 411325450 /nfs/dbraw/zinc/32/54/50/411325450.db2.gz LAYCDOUFJBUDDA-CJQNXBEJSA-N 2 2 242.382 2.443 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H](C)C2 ZINC000656792816 411372718 /nfs/dbraw/zinc/37/27/18/411372718.db2.gz XXYSCTSIHRJKPU-ZLDLUXBVSA-N 2 2 230.355 2.180 20 0 BEADLP C[N@H+](C/C=C/c1ccccc1)CC(C)(C)[NH3+] ZINC000656782354 411359601 /nfs/dbraw/zinc/35/96/01/411359601.db2.gz FIWKDCDSTFDYMT-JXMROGBWSA-N 2 2 218.344 2.369 20 0 BEADLP C[N@@H+](C/C=C/c1ccccc1)CC(C)(C)[NH3+] ZINC000656782354 411359603 /nfs/dbraw/zinc/35/96/03/411359603.db2.gz FIWKDCDSTFDYMT-JXMROGBWSA-N 2 2 218.344 2.369 20 0 BEADLP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1C ZINC000656785843 411364024 /nfs/dbraw/zinc/36/40/24/411364024.db2.gz RLFIEHQWKLPJBD-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1C ZINC000656785843 411364027 /nfs/dbraw/zinc/36/40/27/411364027.db2.gz RLFIEHQWKLPJBD-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP C[N@H+](CC[NH+]1CC[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000661966299 411333989 /nfs/dbraw/zinc/33/39/89/411333989.db2.gz GKIRXABFNVRIOC-HOTGVXAUSA-N 2 2 244.382 2.460 20 0 BEADLP C[N@@H+](CC[NH+]1CC[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000661966299 411333990 /nfs/dbraw/zinc/33/39/90/411333990.db2.gz GKIRXABFNVRIOC-HOTGVXAUSA-N 2 2 244.382 2.460 20 0 BEADLP C[NH+](CC[N@@H+]1CC[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000661966299 411333992 /nfs/dbraw/zinc/33/39/92/411333992.db2.gz GKIRXABFNVRIOC-HOTGVXAUSA-N 2 2 244.382 2.460 20 0 BEADLP C[NH+](CC[N@H+]1CC[C@H]2C[C@H]2C1)Cc1ccccc1 ZINC000661966299 411333993 /nfs/dbraw/zinc/33/39/93/411333993.db2.gz GKIRXABFNVRIOC-HOTGVXAUSA-N 2 2 244.382 2.460 20 0 BEADLP CC1([NH2+]Cc2cc(F)ccc2F)CC[NH2+]CC1 ZINC000334843363 168062527 /nfs/dbraw/zinc/06/25/27/168062527.db2.gz PKEYVHRJARIFHL-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000401700707 411374337 /nfs/dbraw/zinc/37/43/37/411374337.db2.gz OJZGIZWUCRIJGV-OUCADQQQSA-N 2 2 218.344 2.335 20 0 BEADLP CC1CC([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000309359029 168146958 /nfs/dbraw/zinc/14/69/58/168146958.db2.gz AEXHZCMORNCLMH-WXRRBKDZSA-N 2 2 224.392 2.495 20 0 BEADLP CC1CC([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000309359029 168146961 /nfs/dbraw/zinc/14/69/61/168146961.db2.gz AEXHZCMORNCLMH-WXRRBKDZSA-N 2 2 224.392 2.495 20 0 BEADLP CC1CCC(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000063146601 168153020 /nfs/dbraw/zinc/15/30/20/168153020.db2.gz KWRLMWJQYOXIQV-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC1CCC(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC000063146601 168153021 /nfs/dbraw/zinc/15/30/21/168153021.db2.gz KWRLMWJQYOXIQV-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC1CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000020071328 168182898 /nfs/dbraw/zinc/18/28/98/168182898.db2.gz CDBOQNAZNFPCPV-OAHLLOKOSA-N 2 2 232.371 2.288 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CCC1CCCC1)CCC2 ZINC000657299367 411455171 /nfs/dbraw/zinc/45/51/71/411455171.db2.gz VOJKWBKYPMFUFY-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000070344962 411392173 /nfs/dbraw/zinc/39/21/73/411392173.db2.gz WNOWVPDFPWMYCU-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000070344962 411392178 /nfs/dbraw/zinc/39/21/78/411392178.db2.gz WNOWVPDFPWMYCU-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070359361 411411460 /nfs/dbraw/zinc/41/14/60/411411460.db2.gz GPUBIGUXCZIKMP-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070359361 411411465 /nfs/dbraw/zinc/41/14/65/411411465.db2.gz GPUBIGUXCZIKMP-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000217480515 411418267 /nfs/dbraw/zinc/41/82/67/411418267.db2.gz GHBXZOLEBMDJGB-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000217480515 411418269 /nfs/dbraw/zinc/41/82/69/411418269.db2.gz GHBXZOLEBMDJGB-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285219 411443571 /nfs/dbraw/zinc/44/35/71/411443571.db2.gz ZETIOEJEGQJYAB-JTQLQIEISA-N 2 2 207.321 2.108 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285854 411444728 /nfs/dbraw/zinc/44/47/28/411444728.db2.gz MZSLRTBHWNZDQG-DGCLKSJQSA-N 2 2 233.359 2.498 20 0 BEADLP CC[NH2+]CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414831485 411449635 /nfs/dbraw/zinc/44/96/35/411449635.db2.gz PRYGYNQNBLUNJN-ONEGZZNKSA-N 2 2 222.307 2.038 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1)CCC2 ZINC000657290686 411451630 /nfs/dbraw/zinc/45/16/30/411451630.db2.gz PALBDZIGKQGJBN-UHFFFAOYSA-N 2 2 227.311 2.119 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657330448 411467762 /nfs/dbraw/zinc/46/77/62/411467762.db2.gz WASWFTFULHUVAN-GHMZBOCLSA-N 2 2 221.348 2.354 20 0 BEADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657358605 411476290 /nfs/dbraw/zinc/47/62/90/411476290.db2.gz LOQKHOJKADXGEQ-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000414978521 411477870 /nfs/dbraw/zinc/47/78/70/411477870.db2.gz MDTJJCHNLORRHK-SNVBAGLBSA-N 2 2 230.714 2.306 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000230984959 322928586 /nfs/dbraw/zinc/92/85/86/322928586.db2.gz HAFVCXQMOHQUBH-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CCC1(C[NH2+]Cc2c[nH+]c(C)n2C)CCC1 ZINC000657392315 411492158 /nfs/dbraw/zinc/49/21/58/411492158.db2.gz UQDAXXQRHCACFP-UHFFFAOYSA-N 2 2 221.348 2.398 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657394673 411493458 /nfs/dbraw/zinc/49/34/58/411493458.db2.gz MNOLTFWXWIQCNQ-DGCLKSJQSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1c[nH]c(CNc2ccc3c(c2)C[N@H+](C)C3)[nH+]1 ZINC000657406129 411493709 /nfs/dbraw/zinc/49/37/09/411493709.db2.gz UIPBXVYEIMSBDA-UHFFFAOYSA-N 2 2 242.326 2.276 20 0 BEADLP Cc1c[nH]c(CNc2ccc3c(c2)C[N@@H+](C)C3)[nH+]1 ZINC000657406129 411493711 /nfs/dbraw/zinc/49/37/11/411493711.db2.gz UIPBXVYEIMSBDA-UHFFFAOYSA-N 2 2 242.326 2.276 20 0 BEADLP CC1(CC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657452215 411513636 /nfs/dbraw/zinc/51/36/36/411513636.db2.gz AZUKITZTNJNQAM-UHFFFAOYSA-N 2 2 219.332 2.109 20 0 BEADLP CC1(C)C[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CO1 ZINC000659998569 411525380 /nfs/dbraw/zinc/52/53/80/411525380.db2.gz IOTXAAQPXLLSTC-CYBMUJFWSA-N 2 2 249.358 2.088 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2occc2C)[C@@H](C)C1 ZINC000266138386 170011101 /nfs/dbraw/zinc/01/11/01/170011101.db2.gz SZVXMGRPTYECGM-QWHCGFSZSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2occc2C)[C@@H](C)C1 ZINC000266138386 170011103 /nfs/dbraw/zinc/01/11/03/170011103.db2.gz SZVXMGRPTYECGM-QWHCGFSZSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000328528907 170011753 /nfs/dbraw/zinc/01/17/53/170011753.db2.gz WCUWUALQYUPINB-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000328528907 170011755 /nfs/dbraw/zinc/01/17/55/170011755.db2.gz WCUWUALQYUPINB-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328393381 170012335 /nfs/dbraw/zinc/01/23/35/170012335.db2.gz YNPYQIWFDXYXNP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328393381 170012336 /nfs/dbraw/zinc/01/23/36/170012336.db2.gz YNPYQIWFDXYXNP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000328393300 170014470 /nfs/dbraw/zinc/01/44/70/170014470.db2.gz YLSFRHAPNYKYOQ-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000328393300 170014471 /nfs/dbraw/zinc/01/44/71/170014471.db2.gz YLSFRHAPNYKYOQ-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c[nH]1 ZINC000655856733 411538720 /nfs/dbraw/zinc/53/87/20/411538720.db2.gz OXZRRCCJAFOETG-KGLIPLIRSA-N 2 2 233.359 2.121 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c[nH]1 ZINC000655856733 411538722 /nfs/dbraw/zinc/53/87/22/411538722.db2.gz OXZRRCCJAFOETG-KGLIPLIRSA-N 2 2 233.359 2.121 20 0 BEADLP CC(C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655856663 411538752 /nfs/dbraw/zinc/53/87/52/411538752.db2.gz QBAOOLMNQRXIBI-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655856663 411538753 /nfs/dbraw/zinc/53/87/53/411538753.db2.gz QBAOOLMNQRXIBI-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H](N(C)c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000361053229 170019219 /nfs/dbraw/zinc/01/92/19/170019219.db2.gz QHXMEZHRUPIRSP-AAEUAGOBSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@H](N(C)c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000361053229 170019221 /nfs/dbraw/zinc/01/92/21/170019221.db2.gz QHXMEZHRUPIRSP-AAEUAGOBSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2occc2C)[C@@H](C)C1 ZINC000266138387 170020089 /nfs/dbraw/zinc/02/00/89/170020089.db2.gz SZVXMGRPTYECGM-STQMWFEESA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2occc2C)[C@@H](C)C1 ZINC000266138387 170020087 /nfs/dbraw/zinc/02/00/87/170020087.db2.gz SZVXMGRPTYECGM-STQMWFEESA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000328453723 170020180 /nfs/dbraw/zinc/02/01/80/170020180.db2.gz DREVVSKZKAWJQI-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000328453723 170020181 /nfs/dbraw/zinc/02/01/81/170020181.db2.gz DREVVSKZKAWJQI-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)C1 ZINC000328465067 170021876 /nfs/dbraw/zinc/02/18/76/170021876.db2.gz IYDJSBOIJRKQIA-OLZOCXBDSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2OC)C1 ZINC000328465067 170021878 /nfs/dbraw/zinc/02/18/78/170021878.db2.gz IYDJSBOIJRKQIA-OLZOCXBDSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328462479 170022176 /nfs/dbraw/zinc/02/21/76/170022176.db2.gz HVWRWPKHNCQRFY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328462479 170022177 /nfs/dbraw/zinc/02/21/77/170022177.db2.gz HVWRWPKHNCQRFY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328508651 170022524 /nfs/dbraw/zinc/02/25/24/170022524.db2.gz MNFAHWCGMQPNME-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328508651 170022526 /nfs/dbraw/zinc/02/25/26/170022526.db2.gz MNFAHWCGMQPNME-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccncc1 ZINC000175591160 170023529 /nfs/dbraw/zinc/02/35/29/170023529.db2.gz IPUDVGDJPOIYQR-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccncc1 ZINC000175591160 170023530 /nfs/dbraw/zinc/02/35/30/170023530.db2.gz IPUDVGDJPOIYQR-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC000175591160 170023531 /nfs/dbraw/zinc/02/35/31/170023531.db2.gz IPUDVGDJPOIYQR-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC000175591160 170023532 /nfs/dbraw/zinc/02/35/32/170023532.db2.gz IPUDVGDJPOIYQR-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC=C(C)C)C1 ZINC000309060744 170031551 /nfs/dbraw/zinc/03/15/51/170031551.db2.gz WKSMVFLSYNZIEL-CHWSQXEVSA-N 2 2 210.365 2.273 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC=C(C)C)C1 ZINC000309060744 170031552 /nfs/dbraw/zinc/03/15/52/170031552.db2.gz WKSMVFLSYNZIEL-CHWSQXEVSA-N 2 2 210.365 2.273 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000655858464 411540160 /nfs/dbraw/zinc/54/01/60/411540160.db2.gz ZVNIANKBHZCXGJ-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC000655858464 411540162 /nfs/dbraw/zinc/54/01/62/411540162.db2.gz ZVNIANKBHZCXGJ-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000655858461 411540276 /nfs/dbraw/zinc/54/02/76/411540276.db2.gz ZVNIANKBHZCXGJ-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000655858461 411540278 /nfs/dbraw/zinc/54/02/78/411540278.db2.gz ZVNIANKBHZCXGJ-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC2CCCC2)[C@@H](C)C1 ZINC000336744974 170035502 /nfs/dbraw/zinc/03/55/02/170035502.db2.gz ABPHBZRUYRRUHD-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC000358152082 170035969 /nfs/dbraw/zinc/03/59/69/170035969.db2.gz DOIKQVCCFZRCGU-HOCLYGCPSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC000309976815 170036944 /nfs/dbraw/zinc/03/69/44/170036944.db2.gz UAZFBWHXLWEFSU-AEJSXWLSSA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC000309976815 170036946 /nfs/dbraw/zinc/03/69/46/170036946.db2.gz UAZFBWHXLWEFSU-AEJSXWLSSA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358283838 170037031 /nfs/dbraw/zinc/03/70/31/170037031.db2.gz DKNCPJZMQULDET-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358283838 170037032 /nfs/dbraw/zinc/03/70/32/170037032.db2.gz DKNCPJZMQULDET-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC=CCC2)[C@@H](C)C1 ZINC000309040459 170037377 /nfs/dbraw/zinc/03/73/77/170037377.db2.gz KXYLYZNRGCHJIP-AVGNSLFASA-N 2 2 208.349 2.025 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC=CCC2)[C@@H](C)C1 ZINC000309040459 170037379 /nfs/dbraw/zinc/03/73/79/170037379.db2.gz KXYLYZNRGCHJIP-AVGNSLFASA-N 2 2 208.349 2.025 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000336782272 170037599 /nfs/dbraw/zinc/03/75/99/170037599.db2.gz XDEJUUWHLRPOJC-NWDGAFQWSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000336782272 170037600 /nfs/dbraw/zinc/03/76/00/170037600.db2.gz XDEJUUWHLRPOJC-NWDGAFQWSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC000336781544 170038976 /nfs/dbraw/zinc/03/89/76/170038976.db2.gz UWWCFAOYDNGXAR-YNEHKIRRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC000336781544 170038978 /nfs/dbraw/zinc/03/89/78/170038978.db2.gz UWWCFAOYDNGXAR-YNEHKIRRSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000657522914 411541643 /nfs/dbraw/zinc/54/16/43/411541643.db2.gz FXJHTVSNXUSVPI-CYBMUJFWSA-N 2 2 248.370 2.355 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000657522914 411541645 /nfs/dbraw/zinc/54/16/45/411541645.db2.gz FXJHTVSNXUSVPI-CYBMUJFWSA-N 2 2 248.370 2.355 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CO1 ZINC000657526650 411542659 /nfs/dbraw/zinc/54/26/59/411542659.db2.gz KCVISXQZAUPRNA-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CO1 ZINC000657526650 411542660 /nfs/dbraw/zinc/54/26/60/411542660.db2.gz KCVISXQZAUPRNA-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000657524828 411543109 /nfs/dbraw/zinc/54/31/09/411543109.db2.gz MCGKSQRSFGBQNJ-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000657524828 411543110 /nfs/dbraw/zinc/54/31/10/411543110.db2.gz MCGKSQRSFGBQNJ-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000657527039 411544031 /nfs/dbraw/zinc/54/40/31/411544031.db2.gz PIXWDUWNDXMNJK-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000657527039 411544033 /nfs/dbraw/zinc/54/40/33/411544033.db2.gz PIXWDUWNDXMNJK-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)CC(F)F)n1C ZINC000657498707 411536384 /nfs/dbraw/zinc/53/63/84/411536384.db2.gz XOCODUIUVPYWOJ-MRVPVSSYSA-N 2 2 231.290 2.109 20 0 BEADLP COCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850835 411536456 /nfs/dbraw/zinc/53/64/56/411536456.db2.gz ZFZRLVHAIJFWHZ-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850835 411536459 /nfs/dbraw/zinc/53/64/59/411536459.db2.gz ZFZRLVHAIJFWHZ-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn[nH]c1 ZINC000655849149 411537054 /nfs/dbraw/zinc/53/70/54/411537054.db2.gz PNHHHIVCUOWFJE-IACUBPJLSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn[nH]c1 ZINC000655849149 411537060 /nfs/dbraw/zinc/53/70/60/411537060.db2.gz PNHHHIVCUOWFJE-IACUBPJLSA-N 2 2 248.374 2.077 20 0 BEADLP C1C[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CS1 ZINC000655848676 411537336 /nfs/dbraw/zinc/53/73/36/411537336.db2.gz JPUMOXDINRNAFW-FRRDWIJNSA-N 2 2 240.416 2.098 20 0 BEADLP C1C[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CS1 ZINC000655848676 411537339 /nfs/dbraw/zinc/53/73/39/411537339.db2.gz JPUMOXDINRNAFW-FRRDWIJNSA-N 2 2 240.416 2.098 20 0 BEADLP CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848685 411537422 /nfs/dbraw/zinc/53/74/22/411537422.db2.gz JRZWKIHZCYGBPI-XQQFMLRXSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848685 411537424 /nfs/dbraw/zinc/53/74/24/411537424.db2.gz JRZWKIHZCYGBPI-XQQFMLRXSA-N 2 2 210.365 2.391 20 0 BEADLP CC[NH2+]CC[N@H+](C)CCCc1ccccc1 ZINC000045147305 170113293 /nfs/dbraw/zinc/11/32/93/170113293.db2.gz AJIPTHHPSYDSGK-UHFFFAOYSA-N 2 2 220.360 2.161 20 0 BEADLP CC[NH2+]CC[N@@H+](C)CCCc1ccccc1 ZINC000045147305 170113296 /nfs/dbraw/zinc/11/32/96/170113296.db2.gz AJIPTHHPSYDSGK-UHFFFAOYSA-N 2 2 220.360 2.161 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000228715000 170115446 /nfs/dbraw/zinc/11/54/46/170115446.db2.gz YMSADAFICDZGHZ-UHFFFAOYSA-N 2 2 246.276 2.405 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000657564214 411552151 /nfs/dbraw/zinc/55/21/51/411552151.db2.gz WTTBUMLWXDORMR-LBPRGKRZSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000657564214 411552152 /nfs/dbraw/zinc/55/21/52/411552152.db2.gz WTTBUMLWXDORMR-LBPRGKRZSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000657563757 411552160 /nfs/dbraw/zinc/55/21/60/411552160.db2.gz QIZKKGQILFUWCQ-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000657563757 411552161 /nfs/dbraw/zinc/55/21/61/411552161.db2.gz QIZKKGQILFUWCQ-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000657562390 411552365 /nfs/dbraw/zinc/55/23/65/411552365.db2.gz HNJBLQGRHLHPJB-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000657562390 411552367 /nfs/dbraw/zinc/55/23/67/411552367.db2.gz HNJBLQGRHLHPJB-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000657564513 411553062 /nfs/dbraw/zinc/55/30/62/411553062.db2.gz ZXVZRQZOHUGHLM-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000657564513 411553063 /nfs/dbraw/zinc/55/30/63/411553063.db2.gz ZXVZRQZOHUGHLM-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC1CC=CC1 ZINC000660150474 411546952 /nfs/dbraw/zinc/54/69/52/411546952.db2.gz WOVCVOPRHVDVED-UHFFFAOYSA-N 2 2 219.332 2.171 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CC=CC1 ZINC000660150474 411546954 /nfs/dbraw/zinc/54/69/54/411546954.db2.gz WOVCVOPRHVDVED-UHFFFAOYSA-N 2 2 219.332 2.171 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC000657626475 411565997 /nfs/dbraw/zinc/56/59/97/411565997.db2.gz KPURCNCNYVYNLP-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1C ZINC000657626475 411565998 /nfs/dbraw/zinc/56/59/98/411565998.db2.gz KPURCNCNYVYNLP-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP CCOC1CC([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000124458547 170329183 /nfs/dbraw/zinc/32/91/83/170329183.db2.gz COIVEZQMHPKNFW-HSBZDZAISA-N 2 2 240.391 2.018 20 0 BEADLP CCOCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289307138 170380936 /nfs/dbraw/zinc/38/09/36/170380936.db2.gz RQLWMSRACCGYFS-UHFFFAOYSA-N 2 2 236.359 2.339 20 0 BEADLP CCOCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000276491756 170388063 /nfs/dbraw/zinc/38/80/63/170388063.db2.gz VNDGOHKXSKWXMA-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CCOCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000276491756 170388064 /nfs/dbraw/zinc/38/80/64/170388064.db2.gz VNDGOHKXSKWXMA-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000657741138 411588904 /nfs/dbraw/zinc/58/89/04/411588904.db2.gz DMWMRUQTHFXPJR-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000657741138 411588906 /nfs/dbraw/zinc/58/89/06/411588906.db2.gz DMWMRUQTHFXPJR-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C)(C2CC2)C2CC2)n1C ZINC000657754733 411590402 /nfs/dbraw/zinc/59/04/02/411590402.db2.gz CNHDENJQWPWMHD-UHFFFAOYSA-N 2 2 233.359 2.397 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2=CCCC2)C[N@@H+]1C1CC1 ZINC000657749421 411592090 /nfs/dbraw/zinc/59/20/90/411592090.db2.gz BZXIVYDWYJMTAC-WCQYABFASA-N 2 2 220.360 2.312 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2=CCCC2)C[N@H+]1C1CC1 ZINC000657749421 411592092 /nfs/dbraw/zinc/59/20/92/411592092.db2.gz BZXIVYDWYJMTAC-WCQYABFASA-N 2 2 220.360 2.312 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2(CC(C)C)CC2)n1C ZINC000657775240 411594503 /nfs/dbraw/zinc/59/45/03/411594503.db2.gz PLZNOOZGFHWBQU-UHFFFAOYSA-N 2 2 221.348 2.397 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@@H+]1C1CC1 ZINC000657783486 411595126 /nfs/dbraw/zinc/59/51/26/411595126.db2.gz TWRGGPKNRQEYDV-CHWSQXEVSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@H+]1C1CC1 ZINC000657783486 411595127 /nfs/dbraw/zinc/59/51/27/411595127.db2.gz TWRGGPKNRQEYDV-CHWSQXEVSA-N 2 2 248.370 2.427 20 0 BEADLP CCOc1ccc(NCc2[nH+]ccn2C)[nH+]c1C ZINC000657792596 411598394 /nfs/dbraw/zinc/59/83/94/411598394.db2.gz KYGUAYNNYGLFSN-UHFFFAOYSA-N 2 2 246.314 2.134 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000657804979 411600259 /nfs/dbraw/zinc/60/02/59/411600259.db2.gz PWQMLAZQILAOEV-BXUZGUMPSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000657804979 411600261 /nfs/dbraw/zinc/60/02/61/411600261.db2.gz PWQMLAZQILAOEV-BXUZGUMPSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000657804982 411600482 /nfs/dbraw/zinc/60/04/82/411600482.db2.gz PWQMLAZQILAOEV-SMDDNHRTSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000657804982 411600484 /nfs/dbraw/zinc/60/04/84/411600484.db2.gz PWQMLAZQILAOEV-SMDDNHRTSA-N 2 2 248.370 2.043 20 0 BEADLP CCOCc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327130 170458952 /nfs/dbraw/zinc/45/89/52/170458952.db2.gz ZBAUKWFVNRTPDT-HNNXBMFYSA-N 2 2 248.370 2.065 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657818403 411606115 /nfs/dbraw/zinc/60/61/15/411606115.db2.gz ARGOENNFIPIORP-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657818403 411606117 /nfs/dbraw/zinc/60/61/17/411606117.db2.gz ARGOENNFIPIORP-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCCC12CC2 ZINC000657824294 411607661 /nfs/dbraw/zinc/60/76/61/411607661.db2.gz FZSNTAQOESIPDS-LBPRGKRZSA-N 2 2 208.349 2.005 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCSCC1 ZINC000657836363 411610095 /nfs/dbraw/zinc/61/00/95/411610095.db2.gz UQUDVHWTCAEVMZ-NWDGAFQWSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C)[NH+](C)C ZINC000657871459 411613776 /nfs/dbraw/zinc/61/37/76/411613776.db2.gz LHRDHQDJFJWNOO-FVCCEPFGSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870574 411614200 /nfs/dbraw/zinc/61/42/00/411614200.db2.gz FLNVPTMTQHHRCI-UWVGGRQHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870574 411614202 /nfs/dbraw/zinc/61/42/02/411614202.db2.gz FLNVPTMTQHHRCI-UWVGGRQHSA-N 2 2 246.345 2.493 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657872522 411614911 /nfs/dbraw/zinc/61/49/11/411614911.db2.gz QOAIAFGLIBOXBC-NWDGAFQWSA-N 2 2 240.416 2.098 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657872522 411614913 /nfs/dbraw/zinc/61/49/13/411614913.db2.gz QOAIAFGLIBOXBC-NWDGAFQWSA-N 2 2 240.416 2.098 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCSCC1)[N@H+](C)C1CC1 ZINC000657873726 411615178 /nfs/dbraw/zinc/61/51/78/411615178.db2.gz UWUYAVTUAOILJF-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCSCC1)[N@@H+](C)C1CC1 ZINC000657873726 411615181 /nfs/dbraw/zinc/61/51/81/411615181.db2.gz UWUYAVTUAOILJF-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCC1 ZINC000657873814 411615242 /nfs/dbraw/zinc/61/52/42/411615242.db2.gz VJFUTXBDQMXCPI-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCC1 ZINC000657873814 411615244 /nfs/dbraw/zinc/61/52/44/411615244.db2.gz VJFUTXBDQMXCPI-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCC[NH3+] ZINC000133205253 411656172 /nfs/dbraw/zinc/65/61/72/411656172.db2.gz RQRHZHPVYJKRSG-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCC[NH3+] ZINC000133205253 411656176 /nfs/dbraw/zinc/65/61/76/411656176.db2.gz RQRHZHPVYJKRSG-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000663500854 411683653 /nfs/dbraw/zinc/68/36/53/411683653.db2.gz PFDXFEBTYNIPDG-GFCCVEGCSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000663500854 411683656 /nfs/dbraw/zinc/68/36/56/411683656.db2.gz PFDXFEBTYNIPDG-GFCCVEGCSA-N 2 2 210.365 2.236 20 0 BEADLP c1cn(CCC[N@@H+]2C[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000660933550 411684262 /nfs/dbraw/zinc/68/42/62/411684262.db2.gz TZTYIMTVTLMXDS-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2C[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000660933550 411684265 /nfs/dbraw/zinc/68/42/65/411684265.db2.gz TZTYIMTVTLMXDS-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094080439 170557439 /nfs/dbraw/zinc/55/74/39/170557439.db2.gz GHOSCVHLOQFEPG-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000663508151 411690356 /nfs/dbraw/zinc/69/03/56/411690356.db2.gz KWKWPEZUMROULQ-LBPRGKRZSA-N 2 2 236.359 2.171 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000663511170 411693284 /nfs/dbraw/zinc/69/32/84/411693284.db2.gz VSXMVXCPOCLQIP-NSHDSACASA-N 2 2 248.370 2.098 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCC(C2CCC2)CC1 ZINC000661374199 411757032 /nfs/dbraw/zinc/75/70/32/411757032.db2.gz LQQPSIAAGNQCOE-UHFFFAOYSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC(F)CC1 ZINC000661997750 411938149 /nfs/dbraw/zinc/93/81/49/411938149.db2.gz CDOFZMGXKPRYDG-KPPDAEKUSA-N 2 2 225.311 2.416 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CC=CC1 ZINC000662234200 412033001 /nfs/dbraw/zinc/03/30/01/412033001.db2.gz JQFAODNNBMSINQ-DGCLKSJQSA-N 2 2 208.349 2.154 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000662234200 412033005 /nfs/dbraw/zinc/03/30/05/412033005.db2.gz JQFAODNNBMSINQ-DGCLKSJQSA-N 2 2 208.349 2.154 20 0 BEADLP COc1cccc(C[N@H+](C)CCC[NH3+])c1Cl ZINC000662243965 412038935 /nfs/dbraw/zinc/03/89/35/412038935.db2.gz DXYVSKIINBJKOQ-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP COc1cccc(C[N@@H+](C)CCC[NH3+])c1Cl ZINC000662243965 412038936 /nfs/dbraw/zinc/03/89/36/412038936.db2.gz DXYVSKIINBJKOQ-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000308947463 171043953 /nfs/dbraw/zinc/04/39/53/171043953.db2.gz ODMSZBGSYAHZDM-LOWVWBTDSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000308947463 171043954 /nfs/dbraw/zinc/04/39/54/171043954.db2.gz ODMSZBGSYAHZDM-LOWVWBTDSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000336741011 171045219 /nfs/dbraw/zinc/04/52/19/171045219.db2.gz VDLFIIHEIIGLJT-MDZLAQPJSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000336741011 171045223 /nfs/dbraw/zinc/04/52/23/171045223.db2.gz VDLFIIHEIIGLJT-MDZLAQPJSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336736847 171045373 /nfs/dbraw/zinc/04/53/73/171045373.db2.gz MZHPBLZBEUBCBZ-BYNQJWBRSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336736847 171045374 /nfs/dbraw/zinc/04/53/74/171045374.db2.gz MZHPBLZBEUBCBZ-BYNQJWBRSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309705672 171045517 /nfs/dbraw/zinc/04/55/17/171045517.db2.gz OIOWHTXVKYFKRL-UZGDPCLZSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309705672 171045519 /nfs/dbraw/zinc/04/55/19/171045519.db2.gz OIOWHTXVKYFKRL-UZGDPCLZSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000309218402 171045586 /nfs/dbraw/zinc/04/55/86/171045586.db2.gz UTQNWPOKSYICCU-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309218402 171045589 /nfs/dbraw/zinc/04/55/89/171045589.db2.gz UTQNWPOKSYICCU-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000308947464 171059450 /nfs/dbraw/zinc/05/94/50/171059450.db2.gz ODMSZBGSYAHZDM-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000308947464 171059451 /nfs/dbraw/zinc/05/94/51/171059451.db2.gz ODMSZBGSYAHZDM-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1O ZINC000353816860 171080063 /nfs/dbraw/zinc/08/00/63/171080063.db2.gz QALDHSSYSUFAKN-HUUCEWRRSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1O ZINC000353816860 171080065 /nfs/dbraw/zinc/08/00/65/171080065.db2.gz QALDHSSYSUFAKN-HUUCEWRRSA-N 2 2 248.370 2.025 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662273128 412064945 /nfs/dbraw/zinc/06/49/45/412064945.db2.gz LTVRVHKPWJQMQL-DGTMBMJNSA-N 2 2 240.366 2.054 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662273128 412064950 /nfs/dbraw/zinc/06/49/50/412064950.db2.gz LTVRVHKPWJQMQL-DGTMBMJNSA-N 2 2 240.366 2.054 20 0 BEADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[NH+](C)C ZINC000309099295 171126296 /nfs/dbraw/zinc/12/62/96/171126296.db2.gz GCCFXXBWNBWBNQ-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@]1(O)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354632593 171214463 /nfs/dbraw/zinc/21/44/63/171214463.db2.gz HHADAWHATYEJCP-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@@]1(O)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354632593 171214465 /nfs/dbraw/zinc/21/44/65/171214465.db2.gz HHADAWHATYEJCP-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@H](C)C[N@H+](CC)CCn1cc[nH+]c1 ZINC000120490464 171277601 /nfs/dbraw/zinc/27/76/01/171277601.db2.gz USFRGWYMRVRHGS-LBPRGKRZSA-N 2 2 209.337 2.251 20 0 BEADLP CC[C@H](C)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC000120490464 171277603 /nfs/dbraw/zinc/27/76/03/171277603.db2.gz USFRGWYMRVRHGS-LBPRGKRZSA-N 2 2 209.337 2.251 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000129069158 171287378 /nfs/dbraw/zinc/28/73/78/171287378.db2.gz WKANVBQZUZXXCF-GMXVVIOVSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000129069158 171287380 /nfs/dbraw/zinc/28/73/80/171287380.db2.gz WKANVBQZUZXXCF-GMXVVIOVSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292452 412082693 /nfs/dbraw/zinc/08/26/93/412082693.db2.gz ICUAAIUIPMTOIE-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292452 412082695 /nfs/dbraw/zinc/08/26/95/412082695.db2.gz ICUAAIUIPMTOIE-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC[NH+](C)C ZINC000019266307 171295897 /nfs/dbraw/zinc/29/58/97/171295897.db2.gz VSOZEDLIDKKJEG-NWDGAFQWSA-N 2 2 200.370 2.352 20 0 BEADLP COc1cccc([C@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304392 412089383 /nfs/dbraw/zinc/08/93/83/412089383.db2.gz QPGPEXSQUIKTLY-BZUNDVKYSA-N 2 2 246.354 2.179 20 0 BEADLP COc1cccc([C@H](C)[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304392 412089389 /nfs/dbraw/zinc/08/93/89/412089389.db2.gz QPGPEXSQUIKTLY-BZUNDVKYSA-N 2 2 246.354 2.179 20 0 BEADLP CCC(CC)CCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662318361 412098263 /nfs/dbraw/zinc/09/82/63/412098263.db2.gz ZAEAZINQEMCBLP-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CCC(CC)CCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662318361 412098268 /nfs/dbraw/zinc/09/82/68/412098268.db2.gz ZAEAZINQEMCBLP-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC[C@H]1F ZINC000662326158 412102579 /nfs/dbraw/zinc/10/25/79/412102579.db2.gz PPPVYQREGJNNDH-HUUCEWRRSA-N 2 2 248.345 2.435 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC[C@H]1F ZINC000662326158 412102581 /nfs/dbraw/zinc/10/25/81/412102581.db2.gz PPPVYQREGJNNDH-HUUCEWRRSA-N 2 2 248.345 2.435 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325223 412103837 /nfs/dbraw/zinc/10/38/37/412103837.db2.gz DCSCYPVAGDZBLG-ZIAGYGMSSA-N 2 2 236.334 2.120 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662325223 412103840 /nfs/dbraw/zinc/10/38/40/412103840.db2.gz DCSCYPVAGDZBLG-ZIAGYGMSSA-N 2 2 236.334 2.120 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)n1 ZINC000665249086 412195576 /nfs/dbraw/zinc/19/55/76/412195576.db2.gz JJVJYPDNDVXQLI-SNVBAGLBSA-N 2 2 248.374 2.016 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cscn1 ZINC000665281087 412218511 /nfs/dbraw/zinc/21/85/11/412218511.db2.gz UESUFTCZRDTSLR-VHSXEESVSA-N 2 2 227.377 2.167 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665276571 412218699 /nfs/dbraw/zinc/21/86/99/412218699.db2.gz GPPIEZDWHMNDJQ-DNOWBOINSA-N 2 2 230.355 2.398 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276614 412219116 /nfs/dbraw/zinc/21/91/16/412219116.db2.gz HYSBHRPKHZLMRP-CIQACWJJSA-N 2 2 246.329 2.155 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(C)o1 ZINC000665278010 412221881 /nfs/dbraw/zinc/22/18/81/412221881.db2.gz SENSDEKRUOZBHV-JKDOVBDQSA-N 2 2 234.343 2.299 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279121 412223212 /nfs/dbraw/zinc/22/32/12/412223212.db2.gz XLPHBKDUBRGXLP-BZUNDVKYSA-N 2 2 245.370 2.047 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cs1 ZINC000665282510 412228172 /nfs/dbraw/zinc/22/81/72/412228172.db2.gz ZKUJZJNRABLNTK-MWLCHTKSSA-N 2 2 241.404 2.476 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000665294836 412237793 /nfs/dbraw/zinc/23/77/93/412237793.db2.gz XKSLYSFCOJQSFQ-SMDDNHRTSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sccc1C ZINC000665294436 412238875 /nfs/dbraw/zinc/23/88/75/412238875.db2.gz OVOINEBLHMUKPU-NXEZZACHSA-N 2 2 212.362 2.315 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000665294055 412239008 /nfs/dbraw/zinc/23/90/08/412239008.db2.gz HIMCUXQQHZLPNQ-RISCZKNCSA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000665293788 412239312 /nfs/dbraw/zinc/23/93/12/412239312.db2.gz CVUTZBJROMQARJ-WPRPVWTQSA-N 2 2 212.362 2.315 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccs1 ZINC000665293752 412239600 /nfs/dbraw/zinc/23/96/00/412239600.db2.gz BZKGSUOENWCGPK-NXEZZACHSA-N 2 2 212.362 2.397 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000665294893 412240527 /nfs/dbraw/zinc/24/05/27/412240527.db2.gz YKIOVGNMZLAEMD-NEPJUHHUSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000665295655 412242241 /nfs/dbraw/zinc/24/22/41/412242241.db2.gz HIBJKIVATNKDPI-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000665295766 412242951 /nfs/dbraw/zinc/24/29/51/412242951.db2.gz ISQXLIHIFBZVTJ-SMDDNHRTSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000665296826 412244181 /nfs/dbraw/zinc/24/41/81/412244181.db2.gz YJEBQHJFKSEVSF-AMIZOPFISA-N 2 2 240.297 2.150 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000665296827 412244538 /nfs/dbraw/zinc/24/45/38/412244538.db2.gz YJEBQHJFKSEVSF-ISVAXAHUSA-N 2 2 240.297 2.150 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000665298492 412246650 /nfs/dbraw/zinc/24/66/50/412246650.db2.gz WZYQADXDWUSPBC-WCBMZHEXSA-N 2 2 212.362 2.315 20 0 BEADLP CCc1[nH+]ccn1CCCn1cc[nH+]c1C ZINC000158425083 172026136 /nfs/dbraw/zinc/02/61/36/172026136.db2.gz KBYQPXIPQIBFTM-UHFFFAOYSA-N 2 2 218.304 2.041 20 0 BEADLP CCc1[nH+]ccn1Cc1cc(OC)cc(C)[nH+]1 ZINC000168880694 172028164 /nfs/dbraw/zinc/02/81/64/172028164.db2.gz PREWHEUMCWQVKA-UHFFFAOYSA-N 2 2 231.299 2.206 20 0 BEADLP CCn1cc[nH+]c1CNc1cccc(C)[nH+]1 ZINC000336780746 172226196 /nfs/dbraw/zinc/22/61/96/172226196.db2.gz RYEKFUZJIXVCPU-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP CCn1c[nH+]cc1C[NH2+]Cc1occc1C ZINC000336649433 172233196 /nfs/dbraw/zinc/23/31/96/172233196.db2.gz GYVXMQCLWMBPGG-UHFFFAOYSA-N 2 2 219.288 2.094 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]CCC(C)(C)C ZINC000049854817 172394686 /nfs/dbraw/zinc/39/46/86/172394686.db2.gz BPYWFUDJQYZBQH-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC12CCC2 ZINC000336751152 172395149 /nfs/dbraw/zinc/39/51/49/172395149.db2.gz FNSHRRSQJYLHDK-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1Cc2ccccc2C1 ZINC000035658000 172395315 /nfs/dbraw/zinc/39/53/15/172395315.db2.gz IIFJIEUBROAUCI-UHFFFAOYSA-N 2 2 232.371 2.084 20 0 BEADLP C[NH+](C)C(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000276199884 172397345 /nfs/dbraw/zinc/39/73/45/172397345.db2.gz VGYDHJVWJRMJKO-UHFFFAOYSA-N 2 2 244.342 2.382 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309589096 173033454 /nfs/dbraw/zinc/03/34/54/173033454.db2.gz UCHWTRYTWONBSI-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309589096 173033455 /nfs/dbraw/zinc/03/34/55/173033455.db2.gz UCHWTRYTWONBSI-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000221152945 173055384 /nfs/dbraw/zinc/05/53/84/173055384.db2.gz KDKLNLBYUJOMKS-OLZOCXBDSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000221152945 173055387 /nfs/dbraw/zinc/05/53/87/173055387.db2.gz KDKLNLBYUJOMKS-OLZOCXBDSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000042544986 173123608 /nfs/dbraw/zinc/12/36/08/173123608.db2.gz DGPMKHMLVQIAPS-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000042544986 173123609 /nfs/dbraw/zinc/12/36/09/173123609.db2.gz DGPMKHMLVQIAPS-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654160 173124489 /nfs/dbraw/zinc/12/44/89/173124489.db2.gz DQBWPIIVUXNQCT-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654160 173124492 /nfs/dbraw/zinc/12/44/92/173124492.db2.gz DQBWPIIVUXNQCT-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccsc3)[C@H]2C1 ZINC000272646238 173161463 /nfs/dbraw/zinc/16/14/63/173161463.db2.gz PAOIXPOHOYNACO-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccsc3)[C@H]2C1 ZINC000272646238 173161465 /nfs/dbraw/zinc/16/14/65/173161465.db2.gz PAOIXPOHOYNACO-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccsc3)[C@H]2C1 ZINC000272646238 173161466 /nfs/dbraw/zinc/16/14/66/173161466.db2.gz PAOIXPOHOYNACO-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccsc3)[C@H]2C1 ZINC000272646238 173161468 /nfs/dbraw/zinc/16/14/68/173161468.db2.gz PAOIXPOHOYNACO-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542713 173161612 /nfs/dbraw/zinc/16/16/12/173161612.db2.gz CFPOCJAGEFHOBS-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542713 173161613 /nfs/dbraw/zinc/16/16/13/173161613.db2.gz CFPOCJAGEFHOBS-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542713 173161614 /nfs/dbraw/zinc/16/16/14/173161614.db2.gz CFPOCJAGEFHOBS-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542713 173161615 /nfs/dbraw/zinc/16/16/15/173161615.db2.gz CFPOCJAGEFHOBS-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000292111845 173167450 /nfs/dbraw/zinc/16/74/50/173167450.db2.gz JBUMEXQPAIVMFW-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000292111845 173167451 /nfs/dbraw/zinc/16/74/51/173167451.db2.gz JBUMEXQPAIVMFW-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000292111845 173167452 /nfs/dbraw/zinc/16/74/52/173167452.db2.gz JBUMEXQPAIVMFW-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000292111845 173167453 /nfs/dbraw/zinc/16/74/53/173167453.db2.gz JBUMEXQPAIVMFW-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000092346021 173352796 /nfs/dbraw/zinc/35/27/96/173352796.db2.gz XIYFONGMXOEAHC-UHFFFAOYSA-N 2 2 243.354 2.194 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC000092346021 173352798 /nfs/dbraw/zinc/35/27/98/173352798.db2.gz XIYFONGMXOEAHC-UHFFFAOYSA-N 2 2 243.354 2.194 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOc1ccc(C)cc1 ZINC000019933445 173368681 /nfs/dbraw/zinc/36/86/81/173368681.db2.gz NIKJKFKLDMKTCM-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOc1ccc(C)cc1 ZINC000019933445 173368682 /nfs/dbraw/zinc/36/86/82/173368682.db2.gz NIKJKFKLDMKTCM-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000039781799 173368965 /nfs/dbraw/zinc/36/89/65/173368965.db2.gz GOLZUWPERHAEJG-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000039781799 173368967 /nfs/dbraw/zinc/36/89/67/173368967.db2.gz GOLZUWPERHAEJG-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000339409460 173379845 /nfs/dbraw/zinc/37/98/45/173379845.db2.gz MHAZDRKOPDSXRU-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccc(C)nc1 ZINC000339409460 173379846 /nfs/dbraw/zinc/37/98/46/173379846.db2.gz MHAZDRKOPDSXRU-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(COC)c1 ZINC000133093401 173380724 /nfs/dbraw/zinc/38/07/24/173380724.db2.gz SUTCEXKHRJCFOF-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(COC)c1 ZINC000133093401 173380726 /nfs/dbraw/zinc/38/07/26/173380726.db2.gz SUTCEXKHRJCFOF-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP CC(C)C1(C[NH2+]CC[NH+]2CCCC2)CC1 ZINC000232664466 487627563 /nfs/dbraw/zinc/62/75/63/487627563.db2.gz ALWLCCINGILYFK-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP COCCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353923751 174200153 /nfs/dbraw/zinc/20/01/53/174200153.db2.gz AGKDGVFUYDZPPF-UHFFFAOYSA-N 2 2 236.359 2.339 20 0 BEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCCC(C)C ZINC000338426626 174307137 /nfs/dbraw/zinc/30/71/37/174307137.db2.gz QKCOOMVSFLDNAD-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCCC(C)C ZINC000338426626 174307139 /nfs/dbraw/zinc/30/71/39/174307139.db2.gz QKCOOMVSFLDNAD-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234845247 175079155 /nfs/dbraw/zinc/07/91/55/175079155.db2.gz PMPXIFRQCICBAW-OLZOCXBDSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000162239713 175095812 /nfs/dbraw/zinc/09/58/12/175095812.db2.gz HKNOPYROZPGJPF-UHFFFAOYSA-N 2 2 245.326 2.024 20 0 BEADLP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000162239713 175095814 /nfs/dbraw/zinc/09/58/14/175095814.db2.gz HKNOPYROZPGJPF-UHFFFAOYSA-N 2 2 245.326 2.024 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683847 175112029 /nfs/dbraw/zinc/11/20/29/175112029.db2.gz AXYZKANLBCAVHJ-ZDUSSCGKSA-N 2 2 246.354 2.022 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683847 175112030 /nfs/dbraw/zinc/11/20/30/175112030.db2.gz AXYZKANLBCAVHJ-ZDUSSCGKSA-N 2 2 246.354 2.022 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C2CCC2)n1C ZINC000667569287 487629897 /nfs/dbraw/zinc/62/98/97/487629897.db2.gz GAOURFPRCIAHIV-AWEZNQCLSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C2CCC2)n1C ZINC000667569287 487629899 /nfs/dbraw/zinc/62/98/99/487629899.db2.gz GAOURFPRCIAHIV-AWEZNQCLSA-N 2 2 233.359 2.493 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000090339741 175190391 /nfs/dbraw/zinc/19/03/91/175190391.db2.gz SXOBYCBNLHIWLB-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc2ccccc2c1C[N@H+](C)CC[NH3+] ZINC000054417053 175225974 /nfs/dbraw/zinc/22/59/74/175225974.db2.gz TZZSDKGAVVOTLQ-UHFFFAOYSA-N 2 2 244.338 2.239 20 0 BEADLP COc1ccc2ccccc2c1C[N@@H+](C)CC[NH3+] ZINC000054417053 175225976 /nfs/dbraw/zinc/22/59/76/175225976.db2.gz TZZSDKGAVVOTLQ-UHFFFAOYSA-N 2 2 244.338 2.239 20 0 BEADLP COc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000019843398 175257281 /nfs/dbraw/zinc/25/72/81/175257281.db2.gz HYVTYVWCKRWDPE-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP COc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000019843398 175257282 /nfs/dbraw/zinc/25/72/82/175257282.db2.gz HYVTYVWCKRWDPE-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063191523 175258571 /nfs/dbraw/zinc/25/85/71/175258571.db2.gz CQIAZQMTQQOZBZ-DOMZBBRYSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063191523 175258573 /nfs/dbraw/zinc/25/85/73/175258573.db2.gz CQIAZQMTQQOZBZ-DOMZBBRYSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000035274788 175265963 /nfs/dbraw/zinc/26/59/63/175265963.db2.gz LUSVIZPRWCDYLJ-LBPRGKRZSA-N 2 2 245.326 2.070 20 0 BEADLP COc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000035274791 175268265 /nfs/dbraw/zinc/26/82/65/175268265.db2.gz LUSVIZPRWCDYLJ-GFCCVEGCSA-N 2 2 245.326 2.070 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000177253540 175293749 /nfs/dbraw/zinc/29/37/49/175293749.db2.gz PEQFXBUCOAWLQW-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000177253540 175293751 /nfs/dbraw/zinc/29/37/51/175293751.db2.gz PEQFXBUCOAWLQW-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc2c(NCC[NH+](C)C)cc[nH+]c12 ZINC000189066898 175300022 /nfs/dbraw/zinc/30/00/22/175300022.db2.gz SITSVYXQHHZTBC-UHFFFAOYSA-N 2 2 245.326 2.217 20 0 BEADLP COc1ccccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000093394498 175324095 /nfs/dbraw/zinc/32/40/95/175324095.db2.gz QOEJTEJUUXLDBI-UHFFFAOYSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000093394498 175324097 /nfs/dbraw/zinc/32/40/97/175324097.db2.gz QOEJTEJUUXLDBI-UHFFFAOYSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063191539 175326956 /nfs/dbraw/zinc/32/69/56/175326956.db2.gz OCEVZNQNEMPCQB-OCCSQVGLSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063191539 175326957 /nfs/dbraw/zinc/32/69/57/175326957.db2.gz OCEVZNQNEMPCQB-OCCSQVGLSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cc[nH+]c(Cn2cc[nH+]c2C(C)C)c1 ZINC000272534274 175361576 /nfs/dbraw/zinc/36/15/76/175361576.db2.gz ZJNQVBSZRRKYPN-UHFFFAOYSA-N 2 2 231.299 2.458 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCCCC1 ZINC000035275234 175784297 /nfs/dbraw/zinc/78/42/97/175784297.db2.gz TYTLSOXXZGNHTD-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CC1(C)C ZINC000309101533 175879691 /nfs/dbraw/zinc/87/96/91/175879691.db2.gz FZVRXLOKWKUSGR-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235330963 176015417 /nfs/dbraw/zinc/01/54/17/176015417.db2.gz VLYTXDAUVIBVIK-NRUUGDAUSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235330963 176015418 /nfs/dbraw/zinc/01/54/18/176015418.db2.gz VLYTXDAUVIBVIK-NRUUGDAUSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346101487 176082747 /nfs/dbraw/zinc/08/27/47/176082747.db2.gz UEJVAOVQEDJOHQ-MCIONIFRSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346101487 176082749 /nfs/dbraw/zinc/08/27/49/176082749.db2.gz UEJVAOVQEDJOHQ-MCIONIFRSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309808488 176097333 /nfs/dbraw/zinc/09/73/33/176097333.db2.gz STZBKEXEWMYIJO-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309808488 176097335 /nfs/dbraw/zinc/09/73/35/176097335.db2.gz STZBKEXEWMYIJO-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000336678287 176097515 /nfs/dbraw/zinc/09/75/15/176097515.db2.gz BQCYJTCCESXUMR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000336678287 176097517 /nfs/dbraw/zinc/09/75/17/176097517.db2.gz BQCYJTCCESXUMR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000070984190 176101087 /nfs/dbraw/zinc/10/10/87/176101087.db2.gz NZAHPVGIUWLFBT-BXUZGUMPSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000070984190 176101090 /nfs/dbraw/zinc/10/10/90/176101090.db2.gz NZAHPVGIUWLFBT-BXUZGUMPSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180188740 176110920 /nfs/dbraw/zinc/11/09/20/176110920.db2.gz CDYWLKVBUVKGMD-LLVKDONJSA-N 2 2 215.300 2.319 20 0 BEADLP C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180188740 176110921 /nfs/dbraw/zinc/11/09/21/176110921.db2.gz CDYWLKVBUVKGMD-LLVKDONJSA-N 2 2 215.300 2.319 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761019 176144998 /nfs/dbraw/zinc/14/49/98/176144998.db2.gz IRUBZVYIKJXLHM-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761019 176144999 /nfs/dbraw/zinc/14/49/99/176144999.db2.gz IRUBZVYIKJXLHM-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309733694 176150504 /nfs/dbraw/zinc/15/05/04/176150504.db2.gz BTEXGZKJEADTMA-GMTAPVOTSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309733694 176150505 /nfs/dbraw/zinc/15/05/05/176150505.db2.gz BTEXGZKJEADTMA-GMTAPVOTSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CC[N@H+](CCCF)C[C@@H]1n1cc[nH+]c1 ZINC000129445408 176168587 /nfs/dbraw/zinc/16/85/87/176168587.db2.gz YNOPWPZFEVILRH-NEPJUHHUSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1n1cc[nH+]c1 ZINC000129445408 176168589 /nfs/dbraw/zinc/16/85/89/176168589.db2.gz YNOPWPZFEVILRH-NEPJUHHUSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000309099453 176233703 /nfs/dbraw/zinc/23/37/03/176233703.db2.gz FCBOOAULYXSNTF-FVCCEPFGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000309099453 176233705 /nfs/dbraw/zinc/23/37/05/176233705.db2.gz FCBOOAULYXSNTF-FVCCEPFGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccco1 ZINC000275278149 176269384 /nfs/dbraw/zinc/26/93/84/176269384.db2.gz MPYXHVWRDCNBJN-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccco1 ZINC000275278149 176269386 /nfs/dbraw/zinc/26/93/86/176269386.db2.gz MPYXHVWRDCNBJN-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccco1 ZINC000275278149 176269388 /nfs/dbraw/zinc/26/93/88/176269388.db2.gz MPYXHVWRDCNBJN-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccco1 ZINC000275278149 176269389 /nfs/dbraw/zinc/26/93/89/176269389.db2.gz MPYXHVWRDCNBJN-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000339577741 176273686 /nfs/dbraw/zinc/27/36/86/176273686.db2.gz PEZTZVMAUJCBFX-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000339577741 176273688 /nfs/dbraw/zinc/27/36/88/176273688.db2.gz PEZTZVMAUJCBFX-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000358215772 176274516 /nfs/dbraw/zinc/27/45/16/176274516.db2.gz GDARKVFVPITLAR-ONERCXAPSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000358215772 176274518 /nfs/dbraw/zinc/27/45/18/176274518.db2.gz GDARKVFVPITLAR-ONERCXAPSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000336776208 176274542 /nfs/dbraw/zinc/27/45/42/176274542.db2.gz FCPVIPQPNJWBDB-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000336776208 176274543 /nfs/dbraw/zinc/27/45/43/176274543.db2.gz FCPVIPQPNJWBDB-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794241 176277033 /nfs/dbraw/zinc/27/70/33/176277033.db2.gz PVLXVELZFZAWNC-GHMZBOCLSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794241 176277034 /nfs/dbraw/zinc/27/70/34/176277034.db2.gz PVLXVELZFZAWNC-GHMZBOCLSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000358024882 176277100 /nfs/dbraw/zinc/27/71/00/176277100.db2.gz NLALEWUDLPXHMH-DAXOMENPSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000358024882 176277101 /nfs/dbraw/zinc/27/71/01/176277101.db2.gz NLALEWUDLPXHMH-DAXOMENPSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606365 176277643 /nfs/dbraw/zinc/27/76/43/176277643.db2.gz VELOHPOOKBVLJA-DGCLKSJQSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606365 176277645 /nfs/dbraw/zinc/27/76/45/176277645.db2.gz VELOHPOOKBVLJA-DGCLKSJQSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000336750868 176277811 /nfs/dbraw/zinc/27/78/11/176277811.db2.gz FZZRVWVPRNLADX-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000336750868 176277812 /nfs/dbraw/zinc/27/78/12/176277812.db2.gz FZZRVWVPRNLADX-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000360046217 176278686 /nfs/dbraw/zinc/27/86/86/176278686.db2.gz PGCKXPDPXQYOLT-KGYLQXTDSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000360046217 176278687 /nfs/dbraw/zinc/27/86/87/176278687.db2.gz PGCKXPDPXQYOLT-KGYLQXTDSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000336776210 176279192 /nfs/dbraw/zinc/27/91/92/176279192.db2.gz FCPVIPQPNJWBDB-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000336776210 176279193 /nfs/dbraw/zinc/27/91/93/176279193.db2.gz FCPVIPQPNJWBDB-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805220 176281315 /nfs/dbraw/zinc/28/13/15/176281315.db2.gz RZEYRJGPWRSMGG-ZWNOBZJWSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805220 176281317 /nfs/dbraw/zinc/28/13/17/176281317.db2.gz RZEYRJGPWRSMGG-ZWNOBZJWSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000346216315 176281644 /nfs/dbraw/zinc/28/16/44/176281644.db2.gz SQMJYUZWOIHPRO-CJNGLKHVSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000346216315 176281645 /nfs/dbraw/zinc/28/16/45/176281645.db2.gz SQMJYUZWOIHPRO-CJNGLKHVSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCC1(F)F ZINC000290003162 176289325 /nfs/dbraw/zinc/28/93/25/176289325.db2.gz ZFXYCFRJMUWPAU-LLVKDONJSA-N 2 2 243.301 2.250 20 0 BEADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCC1(F)F ZINC000290003162 176289328 /nfs/dbraw/zinc/28/93/28/176289328.db2.gz ZFXYCFRJMUWPAU-LLVKDONJSA-N 2 2 243.301 2.250 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000235400703 176302663 /nfs/dbraw/zinc/30/26/63/176302663.db2.gz BMMLDUQNORJTDE-ABAIWWIYSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000235400703 176302665 /nfs/dbraw/zinc/30/26/65/176302665.db2.gz BMMLDUQNORJTDE-ABAIWWIYSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235358196 176316801 /nfs/dbraw/zinc/31/68/01/176316801.db2.gz VLYTXDAUVIBVIK-BREBYQMCSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235358196 176316802 /nfs/dbraw/zinc/31/68/02/176316802.db2.gz VLYTXDAUVIBVIK-BREBYQMCSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@H+](CCC2CCCCC2)C1 ZINC000049662268 176325762 /nfs/dbraw/zinc/32/57/62/176325762.db2.gz JNAFTBGZZZKGKB-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@@H+](CCC2CCCCC2)C1 ZINC000049662268 176325763 /nfs/dbraw/zinc/32/57/63/176325763.db2.gz JNAFTBGZZZKGKB-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000019488636 176361523 /nfs/dbraw/zinc/36/15/23/176361523.db2.gz YPUSYEIGJPDTBG-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000228793870 176396579 /nfs/dbraw/zinc/39/65/79/176396579.db2.gz MUHIFQFAJRDSKP-KYOSRNDESA-N 2 2 230.355 2.119 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C[NH+](C)C)Cc1ccccc1 ZINC000289884160 176682819 /nfs/dbraw/zinc/68/28/19/176682819.db2.gz SFPZAVNQYYXHQZ-KBPBESRZSA-N 2 2 234.387 2.405 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+](C)C ZINC000038087714 176686584 /nfs/dbraw/zinc/68/65/84/176686584.db2.gz CTBGZFDWRBHUGR-DOMZBBRYSA-N 2 2 232.371 2.084 20 0 BEADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000070733498 176864135 /nfs/dbraw/zinc/86/41/35/176864135.db2.gz VRSMBBULRVIEKV-JQWIXIFHSA-N 2 2 239.388 2.183 20 0 BEADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200070 177032110 /nfs/dbraw/zinc/03/21/10/177032110.db2.gz SPZHFEQLRZOVRO-ZJUUUORDSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200070 177032112 /nfs/dbraw/zinc/03/21/12/177032112.db2.gz SPZHFEQLRZOVRO-ZJUUUORDSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC([NH3+])CC1 ZINC000034958695 177034648 /nfs/dbraw/zinc/03/46/48/177034648.db2.gz WUVKOJXLYBWORD-SECBINFHSA-N 2 2 240.297 2.449 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027820 177034775 /nfs/dbraw/zinc/03/47/75/177034775.db2.gz QXVRYYIYZWXXMF-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027820 177034776 /nfs/dbraw/zinc/03/47/76/177034776.db2.gz QXVRYYIYZWXXMF-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]1CC([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@H](C)C1 ZINC000125397777 177065666 /nfs/dbraw/zinc/06/56/66/177065666.db2.gz IHRNNEBUWRWBNX-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@H](C)C1 ZINC000125397777 177065667 /nfs/dbraw/zinc/06/56/67/177065667.db2.gz IHRNNEBUWRWBNX-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccn1 ZINC000019913197 177075874 /nfs/dbraw/zinc/07/58/74/177075874.db2.gz LWAZCLZRNHZHAO-AWEZNQCLSA-N 2 2 247.386 2.436 20 0 BEADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccn1 ZINC000019913197 177075876 /nfs/dbraw/zinc/07/58/76/177075876.db2.gz LWAZCLZRNHZHAO-AWEZNQCLSA-N 2 2 247.386 2.436 20 0 BEADLP C[C@H]1CC[N@H+](CCC2CCCC2)CC[NH2+]1 ZINC000049662262 177158055 /nfs/dbraw/zinc/15/80/55/177158055.db2.gz JTIJGEXYQDPZRS-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CCC2CCCC2)CC[NH2+]1 ZINC000049662262 177158056 /nfs/dbraw/zinc/15/80/56/177158056.db2.gz JTIJGEXYQDPZRS-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000270874476 177162384 /nfs/dbraw/zinc/16/23/84/177162384.db2.gz MKJKRPCDASYOPL-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000270874476 177162385 /nfs/dbraw/zinc/16/23/85/177162385.db2.gz MKJKRPCDASYOPL-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336753696 177236518 /nfs/dbraw/zinc/23/65/18/177236518.db2.gz WMOBHOPQXNGGKP-LOWVWBTDSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336753696 177236520 /nfs/dbraw/zinc/23/65/20/177236520.db2.gz WMOBHOPQXNGGKP-LOWVWBTDSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC000336739014 177237675 /nfs/dbraw/zinc/23/76/75/177237675.db2.gz KUJMAFICJLHYSU-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC000336739014 177237676 /nfs/dbraw/zinc/23/76/76/177237676.db2.gz KUJMAFICJLHYSU-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000235723967 177262148 /nfs/dbraw/zinc/26/21/48/177262148.db2.gz BMMLDUQNORJTDE-NHYWBVRUSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000235723967 177262150 /nfs/dbraw/zinc/26/21/50/177262150.db2.gz BMMLDUQNORJTDE-NHYWBVRUSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)[NH+]1C ZINC000338790274 177278362 /nfs/dbraw/zinc/27/83/62/177278362.db2.gz XQGVXGMWWQEAQK-QWRGUYRKSA-N 2 2 244.342 2.092 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000122797781 177331744 /nfs/dbraw/zinc/33/17/44/177331744.db2.gz RJIPJPBNEYQZSW-DZGCQCFKSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@H+]1C1CC1 ZINC000122797781 177331746 /nfs/dbraw/zinc/33/17/46/177331746.db2.gz RJIPJPBNEYQZSW-DZGCQCFKSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000352811023 177333190 /nfs/dbraw/zinc/33/31/90/177333190.db2.gz RGENIGKACDGMLY-MBNYWOFBSA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000352811023 177333192 /nfs/dbraw/zinc/33/31/92/177333192.db2.gz RGENIGKACDGMLY-MBNYWOFBSA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309415423 177333899 /nfs/dbraw/zinc/33/38/99/177333899.db2.gz XHGOQNHXRXFECN-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052274133 177350138 /nfs/dbraw/zinc/35/01/38/177350138.db2.gz GZHRLTNRCPXPPR-FZMZJTMJSA-N 2 2 227.311 2.370 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1F ZINC000131779987 177361082 /nfs/dbraw/zinc/36/10/82/177361082.db2.gz ZZAGONSXBHDTNQ-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1F ZINC000131779987 177361085 /nfs/dbraw/zinc/36/10/85/177361085.db2.gz ZZAGONSXBHDTNQ-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2CC2)C[N@@H+]1C1CC1 ZINC000120226479 177369546 /nfs/dbraw/zinc/36/95/46/177369546.db2.gz PPRBJNYBPCVHKQ-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2CC2)C[N@H+]1C1CC1 ZINC000120226479 177369548 /nfs/dbraw/zinc/36/95/48/177369548.db2.gz PPRBJNYBPCVHKQ-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC000090720417 177370659 /nfs/dbraw/zinc/37/06/59/177370659.db2.gz JTZPWBHXVXHRFZ-WCQYABFASA-N 2 2 236.334 2.398 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@H+]1C ZINC000090720417 177370660 /nfs/dbraw/zinc/37/06/60/177370660.db2.gz JTZPWBHXVXHRFZ-WCQYABFASA-N 2 2 236.334 2.398 20 0 BEADLP C[C@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000120558445 177385276 /nfs/dbraw/zinc/38/52/76/177385276.db2.gz RJRXLWNUIJSZSZ-SWLSCSKDSA-N 2 2 245.370 2.044 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000674879660 487641911 /nfs/dbraw/zinc/64/19/11/487641911.db2.gz WCMNRJZYJDAQBJ-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000674879660 487641914 /nfs/dbraw/zinc/64/19/14/487641914.db2.gz WCMNRJZYJDAQBJ-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400408764 226342708 /nfs/dbraw/zinc/34/27/08/226342708.db2.gz SFGVVKQJRBZYFU-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400565875 226346638 /nfs/dbraw/zinc/34/66/38/226346638.db2.gz MIYWZMCKQWKPCO-CMPLNLGQSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400583895 226347477 /nfs/dbraw/zinc/34/74/77/226347477.db2.gz RQIURYDIMAVTBL-QWRGUYRKSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccsc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400583893 226347507 /nfs/dbraw/zinc/34/75/07/226347507.db2.gz RQIURYDIMAVTBL-MNOVXSKESA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228093 487656018 /nfs/dbraw/zinc/65/60/18/487656018.db2.gz MBJWNKOIURBKHT-QCZKYFFMSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228093 487656026 /nfs/dbraw/zinc/65/60/26/487656026.db2.gz MBJWNKOIURBKHT-QCZKYFFMSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC000308534925 229234271 /nfs/dbraw/zinc/23/42/71/229234271.db2.gz RPCSWDPYCXBJSA-LLVKDONJSA-N 2 2 240.778 2.422 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)C[C@@H](C)C1 ZINC000397791415 262934040 /nfs/dbraw/zinc/93/40/40/262934040.db2.gz RYGBNGNODBBRLF-ITGUQSILSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]CC1([NH+](C)C)CC1 ZINC000397982996 262941787 /nfs/dbraw/zinc/94/17/87/262941787.db2.gz SJRVRKWBOJLBRV-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000328534366 487707374 /nfs/dbraw/zinc/70/73/74/487707374.db2.gz ZLGRADGUFQKQCN-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000328534366 487707376 /nfs/dbraw/zinc/70/73/76/487707376.db2.gz ZLGRADGUFQKQCN-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000052920433 487732503 /nfs/dbraw/zinc/73/25/03/487732503.db2.gz WSTSYCYDZRSEGB-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000052920433 487732505 /nfs/dbraw/zinc/73/25/05/487732505.db2.gz WSTSYCYDZRSEGB-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP [NH3+]CCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000082791013 487734599 /nfs/dbraw/zinc/73/45/99/487734599.db2.gz VVLIEFKLGGDTSG-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP [NH3+]CCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000082791013 487734606 /nfs/dbraw/zinc/73/46/06/487734606.db2.gz VVLIEFKLGGDTSG-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000513677797 487740551 /nfs/dbraw/zinc/74/05/51/487740551.db2.gz BZAFMKXAUVBUFH-UNQGMJICSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000513677797 487740552 /nfs/dbraw/zinc/74/05/52/487740552.db2.gz BZAFMKXAUVBUFH-UNQGMJICSA-N 2 2 236.403 2.493 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000459349482 487761210 /nfs/dbraw/zinc/76/12/10/487761210.db2.gz DZLNMTBXSSVVBG-OAHLLOKOSA-N 2 2 241.338 2.410 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000459349482 487761216 /nfs/dbraw/zinc/76/12/16/487761216.db2.gz DZLNMTBXSSVVBG-OAHLLOKOSA-N 2 2 241.338 2.410 20 0 BEADLP CC(C)C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459359651 487761152 /nfs/dbraw/zinc/76/11/52/487761152.db2.gz OCWRJTIBDCRUPK-CYBMUJFWSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459359651 487761154 /nfs/dbraw/zinc/76/11/54/487761154.db2.gz OCWRJTIBDCRUPK-CYBMUJFWSA-N 2 2 235.375 2.331 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414950828 487774526 /nfs/dbraw/zinc/77/45/26/487774526.db2.gz IFTQCSNORPIAAD-TZMCWYRMSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414950825 487774593 /nfs/dbraw/zinc/77/45/93/487774593.db2.gz IFTQCSNORPIAAD-GXTWGEPZSA-N 2 2 248.370 2.315 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC000414957773 487776399 /nfs/dbraw/zinc/77/63/99/487776399.db2.gz OQCGOZCGWNFHDX-SNVBAGLBSA-N 2 2 226.751 2.428 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000294699151 487778791 /nfs/dbraw/zinc/77/87/91/487778791.db2.gz DZIHDFVWARXKTO-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000294699151 487778800 /nfs/dbraw/zinc/77/88/00/487778800.db2.gz DZIHDFVWARXKTO-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000294699151 487778806 /nfs/dbraw/zinc/77/88/06/487778806.db2.gz DZIHDFVWARXKTO-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000294699151 487778810 /nfs/dbraw/zinc/77/88/10/487778810.db2.gz DZIHDFVWARXKTO-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459397 487783683 /nfs/dbraw/zinc/78/36/83/487783683.db2.gz UBWLYTJVGLQRJB-WOPDTQHZSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459397 487783688 /nfs/dbraw/zinc/78/36/88/487783688.db2.gz UBWLYTJVGLQRJB-WOPDTQHZSA-N 2 2 242.432 2.200 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC000234363075 487808399 /nfs/dbraw/zinc/80/83/99/487808399.db2.gz RNPDNHYDURJGMD-GFCCVEGCSA-N 2 2 206.333 2.001 20 0 BEADLP C[C@@H]1C[C@@H](C)[NH+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668089971 487833838 /nfs/dbraw/zinc/83/38/38/487833838.db2.gz CMURSGUTXJGJRI-VXGBXAGGSA-N 2 2 242.326 2.250 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1F ZINC000666769329 487854897 /nfs/dbraw/zinc/85/48/97/487854897.db2.gz YSTPHECFWGOMDN-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP CC(C)OC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000666689036 487861003 /nfs/dbraw/zinc/86/10/03/487861003.db2.gz QHLNTHKAIFBLPX-UHFFFAOYSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(OC(C)C)CC1 ZINC000666688999 487860738 /nfs/dbraw/zinc/86/07/38/487860738.db2.gz FIWGWVYOJNSJQS-CYBMUJFWSA-N 2 2 242.407 2.249 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cscc1Cl ZINC000666751854 487872029 /nfs/dbraw/zinc/87/20/29/487872029.db2.gz DOICVRUNJJCVMJ-UHFFFAOYSA-N 2 2 218.753 2.228 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666767005 487875657 /nfs/dbraw/zinc/87/56/57/487875657.db2.gz ORFMMNWRJHOQPD-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847141 487881816 /nfs/dbraw/zinc/88/18/16/487881816.db2.gz HXBNAAZKLKQOKG-BYNSBNAKSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847141 487881817 /nfs/dbraw/zinc/88/18/17/487881817.db2.gz HXBNAAZKLKQOKG-BYNSBNAKSA-N 2 2 234.387 2.249 20 0 BEADLP Fc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1F ZINC000666847698 487889474 /nfs/dbraw/zinc/88/94/74/487889474.db2.gz BTYGEUBTLLXKFX-LLVKDONJSA-N 2 2 240.297 2.197 20 0 BEADLP Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000164816959 487899634 /nfs/dbraw/zinc/89/96/34/487899634.db2.gz HXWUSTDMMDAVAL-QWRGUYRKSA-N 2 2 205.305 2.072 20 0 BEADLP C[N@@H+](Cc1cc2ccccc2o1)CC1C[NH+](C)C1 ZINC000668537260 487901326 /nfs/dbraw/zinc/90/13/26/487901326.db2.gz CYIHPKSDEYIBJJ-UHFFFAOYSA-N 2 2 244.338 2.426 20 0 BEADLP C[N@H+](Cc1cc2ccccc2o1)CC1C[NH+](C)C1 ZINC000668537260 487901331 /nfs/dbraw/zinc/90/13/31/487901331.db2.gz CYIHPKSDEYIBJJ-UHFFFAOYSA-N 2 2 244.338 2.426 20 0 BEADLP C[N@@H+](Cc1cccc(Cl)c1)CC1C[NH+](C)C1 ZINC000668537408 487901138 /nfs/dbraw/zinc/90/11/38/487901138.db2.gz FHUBYCRRMNPOFO-UHFFFAOYSA-N 2 2 238.762 2.333 20 0 BEADLP C[N@H+](Cc1cccc(Cl)c1)CC1C[NH+](C)C1 ZINC000668537408 487901143 /nfs/dbraw/zinc/90/11/43/487901143.db2.gz FHUBYCRRMNPOFO-UHFFFAOYSA-N 2 2 238.762 2.333 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(C)c1 ZINC000666943416 487910009 /nfs/dbraw/zinc/91/00/09/487910009.db2.gz DPYHEULJQRTNAM-KBPBESRZSA-N 2 2 236.334 2.093 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000666947803 487911327 /nfs/dbraw/zinc/91/13/27/487911327.db2.gz IRAZFSVLPFCXIL-UBHSHLNASA-N 2 2 236.334 2.080 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000666946477 487911736 /nfs/dbraw/zinc/91/17/36/487911736.db2.gz DRXRJGBFFSZWSE-FQUUOJAGSA-N 2 2 240.366 2.245 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947868 487912522 /nfs/dbraw/zinc/91/25/22/487912522.db2.gz KQYADIBGNLYBHH-WXHSDQCUSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652363292 487932522 /nfs/dbraw/zinc/93/25/22/487932522.db2.gz ACBPZOJQYCIBOG-MNOVXSKESA-N 2 2 236.334 2.135 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652363292 487932524 /nfs/dbraw/zinc/93/25/24/487932524.db2.gz ACBPZOJQYCIBOG-MNOVXSKESA-N 2 2 236.334 2.135 20 0 BEADLP CC(C)(C)[NH2+]CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000405169088 487942811 /nfs/dbraw/zinc/94/28/11/487942811.db2.gz QQACHCQYXFUJNL-UHFFFAOYSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(C)c1 ZINC000113604307 487950957 /nfs/dbraw/zinc/95/09/57/487950957.db2.gz CPCZAIKPJQQMTR-LBPRGKRZSA-N 2 2 206.333 2.337 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(C)c1 ZINC000113604307 487950963 /nfs/dbraw/zinc/95/09/63/487950963.db2.gz CPCZAIKPJQQMTR-LBPRGKRZSA-N 2 2 206.333 2.337 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000560126805 322983122 /nfs/dbraw/zinc/98/31/22/322983122.db2.gz KWCSZAFAEWELTL-CYBMUJFWSA-N 2 2 247.342 2.477 20 0 BEADLP CCC[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000564736288 323014432 /nfs/dbraw/zinc/01/44/32/323014432.db2.gz NQRFKYRAPDDCRK-VXGBXAGGSA-N 2 2 221.348 2.398 20 0 BEADLP CCC[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000564736288 323014433 /nfs/dbraw/zinc/01/44/33/323014433.db2.gz NQRFKYRAPDDCRK-VXGBXAGGSA-N 2 2 221.348 2.398 20 0 BEADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1CCCO1 ZINC000570679697 323066637 /nfs/dbraw/zinc/06/66/37/323066637.db2.gz UZDOBFSGOZMNDR-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1[nH]c(CNc2cccc[nH+]2)[nH+]c1C ZINC000570699302 323067916 /nfs/dbraw/zinc/06/79/16/323067916.db2.gz UMSXWAFERFFLDJ-UHFFFAOYSA-N 2 2 202.261 2.034 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]2C)n1C ZINC000570699477 323067918 /nfs/dbraw/zinc/06/79/18/323067918.db2.gz ZTIPGSDXTWTBDI-BXKDBHETSA-N 2 2 207.321 2.007 20 0 BEADLP CC1=CC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000570940196 323075801 /nfs/dbraw/zinc/07/58/01/323075801.db2.gz QSVQQJRZSKSUTM-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP C[NH2+]CCSCc1ccc(C)[nH+]c1C ZINC000563081326 323088613 /nfs/dbraw/zinc/08/86/13/323088613.db2.gz PZFUBDKUAYMCJP-UHFFFAOYSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000563095778 323091931 /nfs/dbraw/zinc/09/19/31/323091931.db2.gz BXISMVQGFUEPMJ-GFCCVEGCSA-N 2 2 247.386 2.000 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCC2(C)CC2)n1C ZINC000570987229 323103072 /nfs/dbraw/zinc/10/30/72/323103072.db2.gz ZHGOUTWPQGPPAH-UHFFFAOYSA-N 2 2 207.321 2.008 20 0 BEADLP Cc1[nH+]cc(CNc2c[nH+]ccc2C)n1C ZINC000563433175 323125269 /nfs/dbraw/zinc/12/52/69/323125269.db2.gz RCXIQHZZFZFPTJ-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563438477 323125696 /nfs/dbraw/zinc/12/56/96/323125696.db2.gz DTLXIKFVDOVOQL-ZJUUUORDSA-N 2 2 209.337 2.253 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCC2CC2)n1C ZINC000563439306 323125794 /nfs/dbraw/zinc/12/57/94/323125794.db2.gz LIYGIKUEIQYWEL-SNVBAGLBSA-N 2 2 221.348 2.397 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000563532063 323129355 /nfs/dbraw/zinc/12/93/55/323129355.db2.gz UVEHPEJXJFWFFM-HUUCEWRRSA-N 2 2 248.370 2.073 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)CC)[C@@H]1CC1(C)C ZINC000397658468 323152649 /nfs/dbraw/zinc/15/26/49/323152649.db2.gz CEGSBHZNXBJRIE-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)CC)[C@@H]1CC1(C)C ZINC000397658468 323152650 /nfs/dbraw/zinc/15/26/50/323152650.db2.gz CEGSBHZNXBJRIE-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991841 323165956 /nfs/dbraw/zinc/16/59/56/323165956.db2.gz AOUXQWDYMQNSMF-HZMBPMFUSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991841 323165957 /nfs/dbraw/zinc/16/59/57/323165957.db2.gz AOUXQWDYMQNSMF-HZMBPMFUSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000308824572 323179327 /nfs/dbraw/zinc/17/93/27/323179327.db2.gz DGYBHMZVWBAVEN-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000308824572 323179328 /nfs/dbraw/zinc/17/93/28/323179328.db2.gz DGYBHMZVWBAVEN-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CCC1CC([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000308970602 323182834 /nfs/dbraw/zinc/18/28/34/323182834.db2.gz ZDPUPJKZXDJSPP-HIFPTAJRSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1CC([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000308970602 323182835 /nfs/dbraw/zinc/18/28/35/323182835.db2.gz ZDPUPJKZXDJSPP-HIFPTAJRSA-N 2 2 210.365 2.106 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000535658841 323187633 /nfs/dbraw/zinc/18/76/33/323187633.db2.gz PBHJHVRIOLQJAS-ZDUSSCGKSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000535658841 323187634 /nfs/dbraw/zinc/18/76/34/323187634.db2.gz PBHJHVRIOLQJAS-ZDUSSCGKSA-N 2 2 233.359 2.400 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000051575155 323190027 /nfs/dbraw/zinc/19/00/27/323190027.db2.gz PSSGSJPJXJKVGD-CORIIIEPSA-N 2 2 247.386 2.208 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000051575155 323190028 /nfs/dbraw/zinc/19/00/28/323190028.db2.gz PSSGSJPJXJKVGD-CORIIIEPSA-N 2 2 247.386 2.208 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000116386734 323205065 /nfs/dbraw/zinc/20/50/65/323205065.db2.gz GEADAQSZHXOSHJ-CABCVRRESA-N 2 2 232.371 2.301 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000116386734 323205066 /nfs/dbraw/zinc/20/50/66/323205066.db2.gz GEADAQSZHXOSHJ-CABCVRRESA-N 2 2 232.371 2.301 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000116386731 323205086 /nfs/dbraw/zinc/20/50/86/323205086.db2.gz GEADAQSZHXOSHJ-GJZGRUSLSA-N 2 2 232.371 2.301 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000116386731 323205087 /nfs/dbraw/zinc/20/50/87/323205087.db2.gz GEADAQSZHXOSHJ-GJZGRUSLSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccoc1 ZINC000532246402 323212007 /nfs/dbraw/zinc/21/20/07/323212007.db2.gz OJKBEMFLNULCKE-MJVIPROJSA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccoc1 ZINC000532246402 323212009 /nfs/dbraw/zinc/21/20/09/323212009.db2.gz OJKBEMFLNULCKE-MJVIPROJSA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]CC2(C)CC2)C1 ZINC000309131854 323319082 /nfs/dbraw/zinc/31/90/82/323319082.db2.gz RDDACCDTWPEXGT-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]CC2(C)CC2)C1 ZINC000309131854 323319084 /nfs/dbraw/zinc/31/90/84/323319084.db2.gz RDDACCDTWPEXGT-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC2(C)CC2)C1 ZINC000309131852 323319185 /nfs/dbraw/zinc/31/91/85/323319185.db2.gz RDDACCDTWPEXGT-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC2(C)CC2)C1 ZINC000309131852 323319190 /nfs/dbraw/zinc/31/91/90/323319190.db2.gz RDDACCDTWPEXGT-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000309129059 323319375 /nfs/dbraw/zinc/31/93/75/323319375.db2.gz QQRSGEGEHREBSF-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000309129059 323319377 /nfs/dbraw/zinc/31/93/77/323319377.db2.gz QQRSGEGEHREBSF-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000309218427 323328991 /nfs/dbraw/zinc/32/89/91/323328991.db2.gz UVBPINMDLMXLDC-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000309218427 323328995 /nfs/dbraw/zinc/32/89/95/323328995.db2.gz UVBPINMDLMXLDC-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)C ZINC000309217581 323329559 /nfs/dbraw/zinc/32/95/59/323329559.db2.gz UOWZJTVYBWPFGS-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)C ZINC000309217581 323329560 /nfs/dbraw/zinc/32/95/60/323329560.db2.gz UOWZJTVYBWPFGS-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000321106100 323376723 /nfs/dbraw/zinc/37/67/23/323376723.db2.gz PURQYAXOLPIXBV-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(F)cc2)n1C ZINC000572304689 323592220 /nfs/dbraw/zinc/59/22/20/323592220.db2.gz XMNOUINGRASREB-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP CN(CC1C[NH+](C)C1)c1[nH+]ccc2ccccc21 ZINC000528052596 323753160 /nfs/dbraw/zinc/75/31/60/323753160.db2.gz FNCUYLJTLKBMFI-UHFFFAOYSA-N 2 2 241.338 2.233 20 0 BEADLP C/C(Cl)=C\C[NH+]1CCC([NH+](C)C)CC1 ZINC000528351041 323801349 /nfs/dbraw/zinc/80/13/49/323801349.db2.gz OPRQNJNSMQEABQ-ONNFQVAWSA-N 2 2 216.756 2.155 20 0 BEADLP CC[NH2+]CCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000517730976 324176352 /nfs/dbraw/zinc/17/63/52/324176352.db2.gz TXJLUKUWYPGSIB-VIFPVBQESA-N 2 2 227.377 2.102 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542649 324332666 /nfs/dbraw/zinc/33/26/66/324332666.db2.gz RAVAWSKZNQIKEI-GHMZBOCLSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542649 324332664 /nfs/dbraw/zinc/33/26/64/324332664.db2.gz RAVAWSKZNQIKEI-GHMZBOCLSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000529568556 324345460 /nfs/dbraw/zinc/34/54/60/324345460.db2.gz BRKYHBPFUKIQOJ-DOMZBBRYSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000529568556 324345463 /nfs/dbraw/zinc/34/54/63/324345463.db2.gz BRKYHBPFUKIQOJ-DOMZBBRYSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccn1 ZINC000529568556 324345465 /nfs/dbraw/zinc/34/54/65/324345465.db2.gz BRKYHBPFUKIQOJ-DOMZBBRYSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccn1 ZINC000529568556 324345468 /nfs/dbraw/zinc/34/54/68/324345468.db2.gz BRKYHBPFUKIQOJ-DOMZBBRYSA-N 2 2 247.386 2.162 20 0 BEADLP CCO[C@@]1(C)C[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000529654580 324372337 /nfs/dbraw/zinc/37/23/37/324372337.db2.gz ZOUMZIYVPQFHDT-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP c1cn(Cc2c[nH+]c3ccccn23)c(C2CC2)[nH+]1 ZINC000530130459 324489778 /nfs/dbraw/zinc/48/97/78/324489778.db2.gz WGUMWMYTHMKCAJ-UHFFFAOYSA-N 2 2 238.294 2.457 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)s1 ZINC000530178687 324509438 /nfs/dbraw/zinc/50/94/38/324509438.db2.gz QEZFFUMNLXTCMW-GFCCVEGCSA-N 2 2 236.384 2.431 20 0 BEADLP c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179653 324510742 /nfs/dbraw/zinc/51/07/42/324510742.db2.gz ZQIUQBDLXAZBJA-ZDUSSCGKSA-N 2 2 216.328 2.061 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ncccc1Cl ZINC000530214928 324530159 /nfs/dbraw/zinc/53/01/59/324530159.db2.gz ZAHNYNYBTIZLMT-GFCCVEGCSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530218282 324535768 /nfs/dbraw/zinc/53/57/68/324535768.db2.gz IONWKUBGSBLSHA-AAEUAGOBSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@H]([NH3+])C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000530225937 324546797 /nfs/dbraw/zinc/54/67/97/324546797.db2.gz YPELHSWTIAQNJO-VIFPVBQESA-N 2 2 249.383 2.468 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000130229872 325027045 /nfs/dbraw/zinc/02/70/45/325027045.db2.gz NCZOFTCWJOIWLV-YVECIDJPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131126831 325120115 /nfs/dbraw/zinc/12/01/15/325120115.db2.gz QJJXHGQCOREGDN-GXFFZTMASA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131126831 325120118 /nfs/dbraw/zinc/12/01/18/325120118.db2.gz QJJXHGQCOREGDN-GXFFZTMASA-N 2 2 210.365 2.247 20 0 BEADLP c1cn(CCCC[NH2+][C@@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000554349042 325715166 /nfs/dbraw/zinc/71/51/66/325715166.db2.gz GQNHCMUERHJPEC-UONOGXRCSA-N 2 2 233.359 2.442 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC13CC3)C2 ZINC000566500643 326059657 /nfs/dbraw/zinc/05/96/57/326059657.db2.gz KSJZDSBQAJNVAC-MFKMUULPSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC13CC3)CC2 ZINC000566500643 326059660 /nfs/dbraw/zinc/05/96/60/326059660.db2.gz KSJZDSBQAJNVAC-MFKMUULPSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCC13CC3)C2 ZINC000566500642 326059749 /nfs/dbraw/zinc/05/97/49/326059749.db2.gz KSJZDSBQAJNVAC-GXFFZTMASA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000566500642 326059751 /nfs/dbraw/zinc/05/97/51/326059751.db2.gz KSJZDSBQAJNVAC-GXFFZTMASA-N 2 2 231.343 2.189 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)s1 ZINC000566902221 326092557 /nfs/dbraw/zinc/09/25/57/326092557.db2.gz CEMUPBGWPFYOGQ-TVQRCGJNSA-N 2 2 238.400 2.453 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000154626653 326154137 /nfs/dbraw/zinc/15/41/37/326154137.db2.gz KARBORBHEKEWNK-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000154626653 326154139 /nfs/dbraw/zinc/15/41/39/326154139.db2.gz KARBORBHEKEWNK-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000154636522 326155379 /nfs/dbraw/zinc/15/53/79/326155379.db2.gz UGINAPLLVHVDBI-OLZOCXBDSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000154636522 326155381 /nfs/dbraw/zinc/15/53/81/326155381.db2.gz UGINAPLLVHVDBI-OLZOCXBDSA-N 2 2 210.365 2.105 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000569235843 326396909 /nfs/dbraw/zinc/39/69/09/326396909.db2.gz ZWEPABXFLNUYBA-LBPRGKRZSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000569235843 326396910 /nfs/dbraw/zinc/39/69/10/326396910.db2.gz ZWEPABXFLNUYBA-LBPRGKRZSA-N 2 2 219.332 2.010 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1ncc(C(C)(C)C)s1 ZINC000569244127 326397464 /nfs/dbraw/zinc/39/74/64/326397464.db2.gz QTIZGIUUYQDZPT-UHFFFAOYSA-N 2 2 241.404 2.221 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1ncc(C(C)(C)C)s1 ZINC000569244127 326397465 /nfs/dbraw/zinc/39/74/65/326397465.db2.gz QTIZGIUUYQDZPT-UHFFFAOYSA-N 2 2 241.404 2.221 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]CC[NH+]1CCCC1 ZINC000166442886 326432862 /nfs/dbraw/zinc/43/28/62/326432862.db2.gz NRJVHBRTJRTLSW-GFCCVEGCSA-N 2 2 238.400 2.365 20 0 BEADLP CC[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000682075003 487989362 /nfs/dbraw/zinc/98/93/62/487989362.db2.gz XBVLFBBFVZXOCG-JTQLQIEISA-N 2 2 207.321 2.388 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccncc1Cl ZINC000084084900 487997911 /nfs/dbraw/zinc/99/79/11/487997911.db2.gz WNZDUQNSQWLJKJ-JTQLQIEISA-N 2 2 241.766 2.165 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194973 488006509 /nfs/dbraw/zinc/00/65/09/488006509.db2.gz FSFJUUFZXARXAE-AAEUAGOBSA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194974 488006518 /nfs/dbraw/zinc/00/65/18/488006518.db2.gz FSFJUUFZXARXAE-DGCLKSJQSA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667472331 488018606 /nfs/dbraw/zinc/01/86/06/488018606.db2.gz CUNJWJHHUMMJRO-TXEJJXNPSA-N 2 2 233.359 2.307 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667472331 488018608 /nfs/dbraw/zinc/01/86/08/488018608.db2.gz CUNJWJHHUMMJRO-TXEJJXNPSA-N 2 2 233.359 2.307 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2C)n1C ZINC000667473303 488019213 /nfs/dbraw/zinc/01/92/13/488019213.db2.gz FRPFDXPDCPDMNN-JTQLQIEISA-N 2 2 207.321 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2C)n1C ZINC000667473303 488019215 /nfs/dbraw/zinc/01/92/15/488019215.db2.gz FRPFDXPDCPDMNN-JTQLQIEISA-N 2 2 207.321 2.103 20 0 BEADLP CCCC[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667473255 488019174 /nfs/dbraw/zinc/01/91/74/488019174.db2.gz DKWVPSOYTJXSDT-UHFFFAOYSA-N 2 2 209.337 2.351 20 0 BEADLP CCCC[N@@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667473255 488019178 /nfs/dbraw/zinc/01/91/78/488019178.db2.gz DKWVPSOYTJXSDT-UHFFFAOYSA-N 2 2 209.337 2.351 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)O1 ZINC000682758498 488030476 /nfs/dbraw/zinc/03/04/76/488030476.db2.gz DDXMDOMMNQQWQT-MCIONIFRSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)O1 ZINC000682758498 488030478 /nfs/dbraw/zinc/03/04/78/488030478.db2.gz DDXMDOMMNQQWQT-MCIONIFRSA-N 2 2 249.358 2.088 20 0 BEADLP CC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667531754 488037766 /nfs/dbraw/zinc/03/77/66/488037766.db2.gz OYFRXSXPGQXZJF-LBPRGKRZSA-N 2 2 233.359 2.451 20 0 BEADLP CC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667531754 488037769 /nfs/dbraw/zinc/03/77/69/488037769.db2.gz OYFRXSXPGQXZJF-LBPRGKRZSA-N 2 2 233.359 2.451 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C[C@@H](O)C2CC2)c[nH+]1 ZINC000685461355 488038646 /nfs/dbraw/zinc/03/86/46/488038646.db2.gz KAZYTBCXJFPGLK-OAHLLOKOSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C[C@@H](O)C2CC2)c[nH+]1 ZINC000685461355 488038652 /nfs/dbraw/zinc/03/86/52/488038652.db2.gz KAZYTBCXJFPGLK-OAHLLOKOSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667544388 488041282 /nfs/dbraw/zinc/04/12/82/488041282.db2.gz FTSZUUMRMPONQD-LLVKDONJSA-N 2 2 207.321 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)n1C ZINC000667555810 488045824 /nfs/dbraw/zinc/04/58/24/488045824.db2.gz NXCDGBXGLNHGQD-TZMCWYRMSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)n1C ZINC000667555810 488045829 /nfs/dbraw/zinc/04/58/29/488045829.db2.gz NXCDGBXGLNHGQD-TZMCWYRMSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C)CC2)n1C ZINC000667561442 488046782 /nfs/dbraw/zinc/04/67/82/488046782.db2.gz XCBOADMCEKGSOC-NSHDSACASA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C)CC2)n1C ZINC000667561442 488046784 /nfs/dbraw/zinc/04/67/84/488046784.db2.gz XCBOADMCEKGSOC-NSHDSACASA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)n1C ZINC000667650365 488073325 /nfs/dbraw/zinc/07/33/25/488073325.db2.gz VRLAMHKETDPMAM-QWRGUYRKSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667650811 488074326 /nfs/dbraw/zinc/07/43/26/488074326.db2.gz DXVFLJFBHBJIAP-CMPLNLGQSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667650811 488074329 /nfs/dbraw/zinc/07/43/29/488074329.db2.gz DXVFLJFBHBJIAP-CMPLNLGQSA-N 2 2 221.348 2.349 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000656527559 488089732 /nfs/dbraw/zinc/08/97/32/488089732.db2.gz WHYCMVXRIFRKCD-LBPRGKRZSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000656527559 488089736 /nfs/dbraw/zinc/08/97/36/488089736.db2.gz WHYCMVXRIFRKCD-LBPRGKRZSA-N 2 2 222.376 2.251 20 0 BEADLP CC(C)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667696576 488090696 /nfs/dbraw/zinc/09/06/96/488090696.db2.gz AOGXQBQDPSBWAL-LBPRGKRZSA-N 2 2 233.359 2.307 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)ccn2)CC1 ZINC000683011857 488091737 /nfs/dbraw/zinc/09/17/37/488091737.db2.gz OUMQMZVPPVNGDE-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccn2)CC1 ZINC000683011857 488091742 /nfs/dbraw/zinc/09/17/42/488091742.db2.gz OUMQMZVPPVNGDE-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(C)C)C2)n1C ZINC000667696755 488092280 /nfs/dbraw/zinc/09/22/80/488092280.db2.gz GELMGNNNHOFHBH-LBPRGKRZSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(C)C)C2)n1C ZINC000667696755 488092283 /nfs/dbraw/zinc/09/22/83/488092283.db2.gz GELMGNNNHOFHBH-LBPRGKRZSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1C ZINC000667699243 488092764 /nfs/dbraw/zinc/09/27/64/488092764.db2.gz WWWBYTLZFLWEPP-UWVGGRQHSA-N 2 2 207.321 2.101 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668683276 488113306 /nfs/dbraw/zinc/11/33/06/488113306.db2.gz UKHAPKGFIPNMMG-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668683276 488113307 /nfs/dbraw/zinc/11/33/07/488113307.db2.gz UKHAPKGFIPNMMG-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000382312888 487539213 /nfs/dbraw/zinc/53/92/13/487539213.db2.gz QPLJCKYFRFADIM-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000382312888 487539215 /nfs/dbraw/zinc/53/92/15/487539215.db2.gz QPLJCKYFRFADIM-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000162136907 487539907 /nfs/dbraw/zinc/53/99/07/487539907.db2.gz DEYGIYWJYLJSNW-SNVBAGLBSA-N 2 2 226.751 2.346 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000162123630 487539476 /nfs/dbraw/zinc/53/94/76/487539476.db2.gz XTWQWXOKMFIVEU-SNVBAGLBSA-N 2 2 218.300 2.130 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccs1 ZINC000086729370 487539495 /nfs/dbraw/zinc/53/94/95/487539495.db2.gz ZXSCSYNNRCBBJM-UWVGGRQHSA-N 2 2 210.346 2.151 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1nccc2ccccc21 ZINC000231819330 487477435 /nfs/dbraw/zinc/47/74/35/487477435.db2.gz BJVPIVMPWPJPJT-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1nccc2ccccc21 ZINC000231819330 487477437 /nfs/dbraw/zinc/47/74/37/487477437.db2.gz BJVPIVMPWPJPJT-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP C[N@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000674063670 487506559 /nfs/dbraw/zinc/50/65/59/487506559.db2.gz KGMDFEYPWQHXCN-UHFFFAOYSA-N 2 2 248.374 2.280 20 0 BEADLP C[N@@H+](CCNc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000674063670 487506561 /nfs/dbraw/zinc/50/65/61/487506561.db2.gz KGMDFEYPWQHXCN-UHFFFAOYSA-N 2 2 248.374 2.280 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094080435 487512137 /nfs/dbraw/zinc/51/21/37/487512137.db2.gz GHOSCVHLOQFEPG-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC000308806028 487512191 /nfs/dbraw/zinc/51/21/91/487512191.db2.gz AWCYLRUCCUGRFT-BXKDBHETSA-N 2 2 224.373 2.232 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC000308806028 487512197 /nfs/dbraw/zinc/51/21/97/487512197.db2.gz AWCYLRUCCUGRFT-BXKDBHETSA-N 2 2 224.373 2.232 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000304602234 487512721 /nfs/dbraw/zinc/51/27/21/487512721.db2.gz QPPSUWITYQQHFY-KWCYVHTRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000304602234 487512728 /nfs/dbraw/zinc/51/27/28/487512728.db2.gz QPPSUWITYQQHFY-KWCYVHTRSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726979 487535726 /nfs/dbraw/zinc/53/57/26/487535726.db2.gz YJTUTWDHPCLUPH-UONOGXRCSA-N 2 2 218.344 2.335 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000334873505 487575896 /nfs/dbraw/zinc/57/58/96/487575896.db2.gz ZZIVMQMHCDAUAY-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000334873505 487575903 /nfs/dbraw/zinc/57/59/03/487575903.db2.gz ZZIVMQMHCDAUAY-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000674912997 487653185 /nfs/dbraw/zinc/65/31/85/487653185.db2.gz UFPHQMPSBYREFB-DZGCQCFKSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000674912997 487653187 /nfs/dbraw/zinc/65/31/87/487653187.db2.gz UFPHQMPSBYREFB-DZGCQCFKSA-N 2 2 232.371 2.343 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000666948062 487890472 /nfs/dbraw/zinc/89/04/72/487890472.db2.gz SAFDMFZNCFMURU-SJHCENCUSA-N 2 2 228.355 2.101 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434252 488096264 /nfs/dbraw/zinc/09/62/64/488096264.db2.gz ZKVZSAFQNLLGAM-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434252 488096269 /nfs/dbraw/zinc/09/62/69/488096269.db2.gz ZKVZSAFQNLLGAM-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccnc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683228130 488135437 /nfs/dbraw/zinc/13/54/37/488135437.db2.gz VOCPZEROIALBID-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccnc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000683228130 488135441 /nfs/dbraw/zinc/13/54/41/488135441.db2.gz VOCPZEROIALBID-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000397741963 488142726 /nfs/dbraw/zinc/14/27/26/488142726.db2.gz HRASUOPYIYKZBW-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(C)C)C1 ZINC000397741963 488142730 /nfs/dbraw/zinc/14/27/30/488142730.db2.gz HRASUOPYIYKZBW-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@@H]1C ZINC000666088613 488149489 /nfs/dbraw/zinc/14/94/89/488149489.db2.gz CQNOGZZWAXXIMI-MYPMTAMASA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@@H]1C ZINC000666088613 488149494 /nfs/dbraw/zinc/14/94/94/488149494.db2.gz CQNOGZZWAXXIMI-MYPMTAMASA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088696 488151404 /nfs/dbraw/zinc/15/14/04/488151404.db2.gz NQBGHYABVUFMPQ-RFHZTLPTSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088696 488151407 /nfs/dbraw/zinc/15/14/07/488151407.db2.gz NQBGHYABVUFMPQ-RFHZTLPTSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C1CC1 ZINC000677985069 488168923 /nfs/dbraw/zinc/16/89/23/488168923.db2.gz XZQJILIVMNCNJC-ZDUSSCGKSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C1CC1 ZINC000677985069 488168926 /nfs/dbraw/zinc/16/89/26/488168926.db2.gz XZQJILIVMNCNJC-ZDUSSCGKSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C2(C)CCCC2)n1C ZINC000668080985 488199110 /nfs/dbraw/zinc/19/91/10/488199110.db2.gz PEKIKHVEKBQQAB-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)C2(C)CCCC2)n1C ZINC000668080985 488199114 /nfs/dbraw/zinc/19/91/14/488199114.db2.gz PEKIKHVEKBQQAB-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP Cc1ccoc1C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668187480 488217787 /nfs/dbraw/zinc/21/77/87/488217787.db2.gz HMVRVXPHJYNCHX-UHFFFAOYSA-N 2 2 233.315 2.262 20 0 BEADLP Cc1ccoc1C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668187480 488217790 /nfs/dbraw/zinc/21/77/90/488217790.db2.gz HMVRVXPHJYNCHX-UHFFFAOYSA-N 2 2 233.315 2.262 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC1(C)C ZINC000683769428 488218098 /nfs/dbraw/zinc/21/80/98/488218098.db2.gz UBFNTYGBGWPFPB-IACUBPJLSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC1(C)C ZINC000683769428 488218102 /nfs/dbraw/zinc/21/81/02/488218102.db2.gz UBFNTYGBGWPFPB-IACUBPJLSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000678541874 488265442 /nfs/dbraw/zinc/26/54/42/488265442.db2.gz AMRCIYOQDYPIEE-STQMWFEESA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000678541874 488265446 /nfs/dbraw/zinc/26/54/46/488265446.db2.gz AMRCIYOQDYPIEE-STQMWFEESA-N 2 2 233.359 2.135 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000678596433 488269978 /nfs/dbraw/zinc/26/99/78/488269978.db2.gz QDBDXVUWKVBUJV-OCCSQVGLSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000678596433 488269980 /nfs/dbraw/zinc/26/99/80/488269980.db2.gz QDBDXVUWKVBUJV-OCCSQVGLSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccoc1 ZINC000678882607 488293152 /nfs/dbraw/zinc/29/31/52/488293152.db2.gz GHGMIQZUYCHKHF-UHFFFAOYSA-N 2 2 233.315 2.388 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccoc1 ZINC000678882607 488293154 /nfs/dbraw/zinc/29/31/54/488293154.db2.gz GHGMIQZUYCHKHF-UHFFFAOYSA-N 2 2 233.315 2.388 20 0 BEADLP Cc1ccc(CCC[N@H+](CCCO)C2CC2)c[nH+]1 ZINC000684361025 488300355 /nfs/dbraw/zinc/30/03/55/488300355.db2.gz NIJHLHSUMKMRMS-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@@H+](CCCO)C2CC2)c[nH+]1 ZINC000684361025 488300358 /nfs/dbraw/zinc/30/03/58/488300358.db2.gz NIJHLHSUMKMRMS-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[NH2+]Cc2cocn2)c[nH+]1 ZINC000684379664 488302912 /nfs/dbraw/zinc/30/29/12/488302912.db2.gz KSFWFFITJVWEPG-UHFFFAOYSA-N 2 2 231.299 2.100 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000684388965 488304096 /nfs/dbraw/zinc/30/40/96/488304096.db2.gz YPENKSOWQXEZAM-LSDHHAIUSA-N 2 2 248.370 2.480 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679068915 488305266 /nfs/dbraw/zinc/30/52/66/488305266.db2.gz SQDSEJCJLPYWQK-RYUDHWBXSA-N 2 2 249.358 2.293 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679068915 488305269 /nfs/dbraw/zinc/30/52/69/488305269.db2.gz SQDSEJCJLPYWQK-RYUDHWBXSA-N 2 2 249.358 2.293 20 0 BEADLP CC(C)C1C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000684409604 488308331 /nfs/dbraw/zinc/30/83/31/488308331.db2.gz ZRKCFEUPQMFEBS-UHFFFAOYSA-N 2 2 229.327 2.422 20 0 BEADLP c1[nH]c(C[NH+]2C3CCCC2CCC3)c[nH+]1 ZINC000684616510 488332261 /nfs/dbraw/zinc/33/22/61/488332261.db2.gz DRFREQWSEDXTSW-UHFFFAOYSA-N 2 2 205.305 2.317 20 0 BEADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000679333249 488340806 /nfs/dbraw/zinc/34/08/06/488340806.db2.gz HPUIKDSVUDZWIK-LLVKDONJSA-N 2 2 247.346 2.046 20 0 BEADLP Cc1n[nH]cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000679333250 488340869 /nfs/dbraw/zinc/34/08/69/488340869.db2.gz HPUIKDSVUDZWIK-NSHDSACASA-N 2 2 247.346 2.046 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCCO ZINC000679339719 488341794 /nfs/dbraw/zinc/34/17/94/488341794.db2.gz JQGCAHRNGKABDA-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCCO ZINC000679339719 488341796 /nfs/dbraw/zinc/34/17/96/488341796.db2.gz JQGCAHRNGKABDA-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000050226761 488366512 /nfs/dbraw/zinc/36/65/12/488366512.db2.gz NQXGBTYMJUDDRF-NSHDSACASA-N 2 2 224.373 2.288 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000122521630 490148140 /nfs/dbraw/zinc/14/81/40/490148140.db2.gz UFIJUTSVXDFZDW-HIFRSBDPSA-N 2 2 234.387 2.417 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000122521630 490148146 /nfs/dbraw/zinc/14/81/46/490148146.db2.gz UFIJUTSVXDFZDW-HIFRSBDPSA-N 2 2 234.387 2.417 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000122521163 490148198 /nfs/dbraw/zinc/14/81/98/490148198.db2.gz UFIJUTSVXDFZDW-UKRRQHHQSA-N 2 2 234.387 2.417 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000122521163 490148203 /nfs/dbraw/zinc/14/82/03/490148203.db2.gz UFIJUTSVXDFZDW-UKRRQHHQSA-N 2 2 234.387 2.417 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648450447 490155307 /nfs/dbraw/zinc/15/53/07/490155307.db2.gz MDEXZUFGKFFQOJ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648450447 490155311 /nfs/dbraw/zinc/15/53/11/490155311.db2.gz MDEXZUFGKFFQOJ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1nccs1 ZINC000070733513 490236549 /nfs/dbraw/zinc/23/65/49/490236549.db2.gz YWAAHHBUVMRITG-SECBINFHSA-N 2 2 225.361 2.065 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000222018508 490463688 /nfs/dbraw/zinc/46/36/88/490463688.db2.gz ILPMNIHYDYQXDZ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000222018508 490463694 /nfs/dbraw/zinc/46/36/94/490463694.db2.gz ILPMNIHYDYQXDZ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1csc([C@H](C)[NH2+]CCC[NH+](C)C)n1 ZINC000122635662 491114723 /nfs/dbraw/zinc/11/47/23/491114723.db2.gz DWLLCUOMUIVHDL-JTQLQIEISA-N 2 2 227.377 2.054 20 0 BEADLP COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000537964318 491122717 /nfs/dbraw/zinc/12/27/17/491122717.db2.gz MKPLULDWOJGIGR-DOMZBBRYSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000537964318 491122718 /nfs/dbraw/zinc/12/27/18/491122718.db2.gz MKPLULDWOJGIGR-DOMZBBRYSA-N 2 2 248.370 2.043 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000395093428 491125225 /nfs/dbraw/zinc/12/52/25/491125225.db2.gz CZTJNRPKEWMIEE-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000395093428 491125226 /nfs/dbraw/zinc/12/52/26/491125226.db2.gz CZTJNRPKEWMIEE-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000395093424 491125238 /nfs/dbraw/zinc/12/52/38/491125238.db2.gz CZTJNRPKEWMIEE-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000395093424 491125239 /nfs/dbraw/zinc/12/52/39/491125239.db2.gz CZTJNRPKEWMIEE-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668539598 491127437 /nfs/dbraw/zinc/12/74/37/491127437.db2.gz DUMZKQTVMDJCSJ-HZPDHXFCSA-N 2 2 244.382 2.284 20 0 BEADLP C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668539598 491127438 /nfs/dbraw/zinc/12/74/38/491127438.db2.gz DUMZKQTVMDJCSJ-HZPDHXFCSA-N 2 2 244.382 2.284 20 0 BEADLP CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539574 491127515 /nfs/dbraw/zinc/12/75/15/491127515.db2.gz DFAGCHBGTOYXQM-TZMCWYRMSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539574 491127516 /nfs/dbraw/zinc/12/75/16/491127516.db2.gz DFAGCHBGTOYXQM-TZMCWYRMSA-N 2 2 236.403 2.472 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000132384538 491135722 /nfs/dbraw/zinc/13/57/22/491135722.db2.gz GQHWKHLUXFJQDR-VXGBXAGGSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309085066 533736424 /nfs/dbraw/zinc/73/64/24/533736424.db2.gz WGWHEOLDKVOOJT-CYZMBNFOSA-N 2 2 210.365 2.105 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400539182 533776859 /nfs/dbraw/zinc/77/68/59/533776859.db2.gz ULHQOUWLRYTIMM-ZOWXZIJZSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000400627083 533935301 /nfs/dbraw/zinc/93/53/01/533935301.db2.gz KZZNRPNIVCGUBN-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000488357529 534022066 /nfs/dbraw/zinc/02/20/66/534022066.db2.gz PCMDBXAMZQLEMN-HZSPNIEDSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000488357529 534022068 /nfs/dbraw/zinc/02/20/68/534022068.db2.gz PCMDBXAMZQLEMN-HZSPNIEDSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000488418750 534029444 /nfs/dbraw/zinc/02/94/44/534029444.db2.gz OAAMJPMLYBIZHC-HIFRSBDPSA-N 2 2 232.371 2.364 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000488418750 534029450 /nfs/dbraw/zinc/02/94/50/534029450.db2.gz OAAMJPMLYBIZHC-HIFRSBDPSA-N 2 2 232.371 2.364 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400408763 534089044 /nfs/dbraw/zinc/08/90/44/534089044.db2.gz SFGVVKQJRBZYFU-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP CC(C)c1nc(N2CCC([NH+](C)C)CC2)cc[nH+]1 ZINC000301228672 534907702 /nfs/dbraw/zinc/90/77/02/534907702.db2.gz GMDSGZHFFNQFEN-UHFFFAOYSA-N 2 2 248.374 2.130 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000166830823 536509996 /nfs/dbraw/zinc/50/99/96/536509996.db2.gz XNZPZVHWGDRCCG-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000166830823 536510002 /nfs/dbraw/zinc/51/00/02/536510002.db2.gz XNZPZVHWGDRCCG-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400543181 528656689 /nfs/dbraw/zinc/65/66/89/528656689.db2.gz VIAWNGYVWCSGDJ-DOMZBBRYSA-N 2 2 248.370 2.315 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)COC ZINC000494029332 529015087 /nfs/dbraw/zinc/01/50/87/529015087.db2.gz VSJHLGFRVFGAOH-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)COC ZINC000494029332 529015092 /nfs/dbraw/zinc/01/50/92/529015092.db2.gz VSJHLGFRVFGAOH-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000486924117 529080324 /nfs/dbraw/zinc/08/03/24/529080324.db2.gz BZQXKAOUGOSNFT-UYWPIULCSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000486924117 529080328 /nfs/dbraw/zinc/08/03/28/529080328.db2.gz BZQXKAOUGOSNFT-UYWPIULCSA-N 2 2 245.370 2.169 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549415 534984513 /nfs/dbraw/zinc/98/45/13/534984513.db2.gz IRIYKEBOAOMORX-IUODEOHRSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549415 534984521 /nfs/dbraw/zinc/98/45/21/534984521.db2.gz IRIYKEBOAOMORX-IUODEOHRSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261557937 535039456 /nfs/dbraw/zinc/03/94/56/535039456.db2.gz CWHCSLMHHZBJIP-IUODEOHRSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261557937 535039462 /nfs/dbraw/zinc/03/94/62/535039462.db2.gz CWHCSLMHHZBJIP-IUODEOHRSA-N 2 2 248.370 2.395 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(C)n1 ZINC000086814571 535193780 /nfs/dbraw/zinc/19/37/80/535193780.db2.gz NJAZGTYFBFXTQM-UHFFFAOYSA-N 2 2 227.377 2.059 20 0 BEADLP CCO[C@@H]1C[C@H]([NH2+]CC[NH+](C)C)C1(CC)CC ZINC000348317232 535498410 /nfs/dbraw/zinc/49/84/10/535498410.db2.gz JGKJXLGJUAYARC-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258215293 535543691 /nfs/dbraw/zinc/54/36/91/535543691.db2.gz KNMBXRHEYZOUQS-GFCCVEGCSA-N 2 2 233.359 2.419 20 0 BEADLP CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258215293 535543694 /nfs/dbraw/zinc/54/36/94/535543694.db2.gz KNMBXRHEYZOUQS-GFCCVEGCSA-N 2 2 233.359 2.419 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000393792894 582924792 /nfs/dbraw/zinc/92/47/92/582924792.db2.gz HUVNTYQSBAOGIU-STQMWFEESA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000393792894 582924795 /nfs/dbraw/zinc/92/47/95/582924795.db2.gz HUVNTYQSBAOGIU-STQMWFEESA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nccs1 ZINC000168758122 535808335 /nfs/dbraw/zinc/80/83/35/535808335.db2.gz VOEDVDKSIQNVFU-GHMZBOCLSA-N 2 2 239.388 2.326 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000251890023 535819252 /nfs/dbraw/zinc/81/92/52/535819252.db2.gz VXTQNLGSRSFKRJ-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000251954753 535942790 /nfs/dbraw/zinc/94/27/90/535942790.db2.gz UYQLWLFTLKUCGW-SRVKXCTJSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000251954753 535942795 /nfs/dbraw/zinc/94/27/95/535942795.db2.gz UYQLWLFTLKUCGW-SRVKXCTJSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](CCO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348047661 536097656 /nfs/dbraw/zinc/09/76/56/536097656.db2.gz UZBCNZSQOUNPTM-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251279244 536375169 /nfs/dbraw/zinc/37/51/69/536375169.db2.gz YZNDENTUXSYMCX-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251279244 536375171 /nfs/dbraw/zinc/37/51/71/536375171.db2.gz YZNDENTUXSYMCX-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CCc2ccc(C)cc2)C1 ZINC000261737369 536412432 /nfs/dbraw/zinc/41/24/32/536412432.db2.gz KFLVVQKNZZLAPH-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000261737369 536412434 /nfs/dbraw/zinc/41/24/34/536412434.db2.gz KFLVVQKNZZLAPH-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1[nH+]c2cc(NCc3[nH]cc[nH+]3)ccc2n1C ZINC000151962426 538066454 /nfs/dbraw/zinc/06/64/54/538066454.db2.gz GOPGIDLSYDOMHB-UHFFFAOYSA-N 2 2 241.298 2.217 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000893354595 583120722 /nfs/dbraw/zinc/12/07/22/583120722.db2.gz NREKTENSUDXVEU-OLZOCXBDSA-N 2 2 244.448 2.450 20 0 BEADLP Clc1csc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000853246689 588728497 /nfs/dbraw/zinc/72/84/97/588728497.db2.gz PSWUAYHLVCURPZ-UHFFFAOYSA-N 2 2 242.775 2.243 20 0 BEADLP Cc1cc[nH+]cc1Cc1nc([C@H]([NH3+])C(C)C)no1 ZINC000854132910 588776161 /nfs/dbraw/zinc/77/61/61/588776161.db2.gz MSDGKMYTFSIXGP-GFCCVEGCSA-N 2 2 246.314 2.020 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@H]2C=CCC2)[nH+]1 ZINC000850358253 582913524 /nfs/dbraw/zinc/91/35/24/582913524.db2.gz ABXVDXUTBOAOIR-NSHDSACASA-N 2 2 213.284 2.143 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000853248902 583030827 /nfs/dbraw/zinc/03/08/27/583030827.db2.gz LPSPBTOAGSQSCI-NSHDSACASA-N 2 2 248.370 2.098 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000893354595 583120721 /nfs/dbraw/zinc/12/07/21/583120721.db2.gz NREKTENSUDXVEU-OLZOCXBDSA-N 2 2 244.448 2.450 20 0 BEADLP COC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000126431475 583304914 /nfs/dbraw/zinc/30/49/14/583304914.db2.gz PPRYLSSIVSSJQW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ncsc1C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894239682 583387090 /nfs/dbraw/zinc/38/70/90/583387090.db2.gz MQNMUACTLHEKHW-UHFFFAOYSA-N 2 2 248.355 2.027 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](CC3=CCCC3)CC[C@@H]21 ZINC000879579920 583440150 /nfs/dbraw/zinc/44/01/50/583440150.db2.gz QICCVPLTFHJIMB-KBPBESRZSA-N 2 2 220.360 2.123 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](CC3=CCCC3)CC[C@@H]21 ZINC000879579920 583440154 /nfs/dbraw/zinc/44/01/54/583440154.db2.gz QICCVPLTFHJIMB-KBPBESRZSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](CC3=CCCC3)CC[C@@H]21 ZINC000879579920 583440156 /nfs/dbraw/zinc/44/01/56/583440156.db2.gz QICCVPLTFHJIMB-KBPBESRZSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](CC3=CCCC3)CC[C@@H]21 ZINC000879579920 583440160 /nfs/dbraw/zinc/44/01/60/583440160.db2.gz QICCVPLTFHJIMB-KBPBESRZSA-N 2 2 220.360 2.123 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000894446454 583461114 /nfs/dbraw/zinc/46/11/14/583461114.db2.gz RQCMKZRJBPDGHU-GXTWGEPZSA-N 2 2 232.371 2.256 20 0 BEADLP CC(C)CCCC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000147386792 583486421 /nfs/dbraw/zinc/48/64/21/583486421.db2.gz UDCSKCVINVCKHB-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)CCCC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000147386792 583486423 /nfs/dbraw/zinc/48/64/23/583486423.db2.gz UDCSKCVINVCKHB-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c[nH+]1 ZINC000894987973 583565409 /nfs/dbraw/zinc/56/54/09/583565409.db2.gz WOGQUIPPFKKJQU-DGCLKSJQSA-N 2 2 219.332 2.326 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c[nH+]1 ZINC000894987974 583565446 /nfs/dbraw/zinc/56/54/46/583565446.db2.gz WOGQUIPPFKKJQU-WCQYABFASA-N 2 2 219.332 2.326 20 0 BEADLP Cc1[nH+]ccn1CCNc1cc[nH+]c(C(C)C)n1 ZINC000895113819 583591720 /nfs/dbraw/zinc/59/17/20/583591720.db2.gz ANBDMXZAOQLKIB-UHFFFAOYSA-N 2 2 245.330 2.217 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895294475 583638112 /nfs/dbraw/zinc/63/81/12/583638112.db2.gz QCQUHPHQIUOGOM-CQSZACIVSA-N 3 2 249.402 2.252 20 0 BEADLP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC000895293448 583639454 /nfs/dbraw/zinc/63/94/54/583639454.db2.gz LULSBOPGYITODR-NSHDSACASA-N 2 2 247.342 2.258 20 0 BEADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c[nH]2)nc1 ZINC000895392945 583664695 /nfs/dbraw/zinc/66/46/95/583664695.db2.gz WRKWVASJQWFUII-UHFFFAOYSA-N 2 2 244.342 2.181 20 0 BEADLP Cc1cccn2c(C[NH2+]CC3CSC3)c[nH+]c12 ZINC000895421662 583673040 /nfs/dbraw/zinc/67/30/40/583673040.db2.gz SCXIUZFJKKDJHU-UHFFFAOYSA-N 2 2 247.367 2.095 20 0 BEADLP Cc1coc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000895460528 583677782 /nfs/dbraw/zinc/67/77/82/583677782.db2.gz HUNAJQJQUKTNDQ-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000895460528 583677784 /nfs/dbraw/zinc/67/77/84/583677784.db2.gz HUNAJQJQUKTNDQ-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000895460528 583677785 /nfs/dbraw/zinc/67/77/85/583677785.db2.gz HUNAJQJQUKTNDQ-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000895460528 583677787 /nfs/dbraw/zinc/67/77/87/583677787.db2.gz HUNAJQJQUKTNDQ-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP FC[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895571824 583692191 /nfs/dbraw/zinc/69/21/91/583692191.db2.gz AAOKPPIWIRSZST-LLVKDONJSA-N 2 2 233.290 2.126 20 0 BEADLP FC[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895571824 583692192 /nfs/dbraw/zinc/69/21/92/583692192.db2.gz AAOKPPIWIRSZST-LLVKDONJSA-N 2 2 233.290 2.126 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000895672360 583706679 /nfs/dbraw/zinc/70/66/79/583706679.db2.gz SJHWKOKLJIBAJZ-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000895672360 583706681 /nfs/dbraw/zinc/70/66/81/583706681.db2.gz SJHWKOKLJIBAJZ-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP Cc1ncoc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895672294 583706688 /nfs/dbraw/zinc/70/66/88/583706688.db2.gz RLMCDISYUBGJOQ-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cn1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895672454 583707009 /nfs/dbraw/zinc/70/70/09/583707009.db2.gz YYCQWWHNHDVXJB-UHFFFAOYSA-N 2 2 247.386 2.085 20 0 BEADLP Cc1cc(NCCn2cc[nH+]c2C(C)C)nc[nH+]1 ZINC000895988664 583759779 /nfs/dbraw/zinc/75/97/79/583759779.db2.gz VIBAVRNBELMYBN-UHFFFAOYSA-N 2 2 245.330 2.217 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000896553147 583811170 /nfs/dbraw/zinc/81/11/70/583811170.db2.gz CKJRZUVXBHRFBB-IVMMDQJWSA-N 2 2 244.382 2.399 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000896553147 583811171 /nfs/dbraw/zinc/81/11/71/583811171.db2.gz CKJRZUVXBHRFBB-IVMMDQJWSA-N 2 2 244.382 2.399 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000896553607 583812239 /nfs/dbraw/zinc/81/22/39/583812239.db2.gz DPMCBRZIJLJVFG-HIFRSBDPSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000896553607 583812240 /nfs/dbraw/zinc/81/22/40/583812240.db2.gz DPMCBRZIJLJVFG-HIFRSBDPSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000896554148 583812252 /nfs/dbraw/zinc/81/22/52/583812252.db2.gz HUFFABBIENMPJL-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000896554148 583812253 /nfs/dbraw/zinc/81/22/53/583812253.db2.gz HUFFABBIENMPJL-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP CCn1c[nH+]c2c1CCN(c1cc(C)cc[nH+]1)C2 ZINC000896661175 583820971 /nfs/dbraw/zinc/82/09/71/583820971.db2.gz ZWZBZMCGFZKXRV-UHFFFAOYSA-N 2 2 242.326 2.169 20 0 BEADLP C/C(=C\c1ccccc1)C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000729681636 584022666 /nfs/dbraw/zinc/02/26/66/584022666.db2.gz GGPCGJVLJXQJHP-VOMSXAGXSA-N 2 2 230.355 2.384 20 0 BEADLP C/C(=C\c1ccccc1)C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000729681636 584022667 /nfs/dbraw/zinc/02/26/67/584022667.db2.gz GGPCGJVLJXQJHP-VOMSXAGXSA-N 2 2 230.355 2.384 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841029236 584027365 /nfs/dbraw/zinc/02/73/65/584027365.db2.gz MYLLQCQKQCNLOV-LLVKDONJSA-N 2 2 241.766 2.342 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+][C@H](C)c1cncs1 ZINC000897930555 584061394 /nfs/dbraw/zinc/06/13/94/584061394.db2.gz QUWLHURLMZGSPB-SECBINFHSA-N 2 2 248.355 2.280 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)n1C ZINC000897960209 584068238 /nfs/dbraw/zinc/06/82/38/584068238.db2.gz ZSSNUZSNEFMHPX-CYZMBNFOSA-N 2 2 219.332 2.007 20 0 BEADLP FC1(F)CC[C@H](CC[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000898013569 584073579 /nfs/dbraw/zinc/07/35/79/584073579.db2.gz CNTDDVSKVIBUOX-SECBINFHSA-N 2 2 229.274 2.325 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034122 584078345 /nfs/dbraw/zinc/07/83/45/584078345.db2.gz IMBYVRMYFFEPPD-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034122 584078347 /nfs/dbraw/zinc/07/83/47/584078347.db2.gz IMBYVRMYFFEPPD-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000898034866 584079105 /nfs/dbraw/zinc/07/91/05/584079105.db2.gz ZKOCNOLQJZTKND-UONOGXRCSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000898034866 584079107 /nfs/dbraw/zinc/07/91/07/584079107.db2.gz ZKOCNOLQJZTKND-UONOGXRCSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000898034688 584079153 /nfs/dbraw/zinc/07/91/53/584079153.db2.gz VSFPUWBAPAKBFH-BFHYXJOUSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000898034688 584079155 /nfs/dbraw/zinc/07/91/55/584079155.db2.gz VSFPUWBAPAKBFH-BFHYXJOUSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000898035753 584079266 /nfs/dbraw/zinc/07/92/66/584079266.db2.gz ZQRDNDXZXPZPNW-UHFFFAOYSA-N 2 2 246.345 2.352 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000898035753 584079267 /nfs/dbraw/zinc/07/92/67/584079267.db2.gz ZQRDNDXZXPZPNW-UHFFFAOYSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)nc1 ZINC000898308277 584109497 /nfs/dbraw/zinc/10/94/97/584109497.db2.gz WDKVOWZINJGPCE-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)nc1 ZINC000898308277 584109498 /nfs/dbraw/zinc/10/94/98/584109498.db2.gz WDKVOWZINJGPCE-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)CC1(F)CC1 ZINC000898308231 584109600 /nfs/dbraw/zinc/10/96/00/584109600.db2.gz TWNUKSXQEBFYAE-UHFFFAOYSA-N 2 2 216.344 2.008 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)CC1(F)CC1 ZINC000898308231 584109602 /nfs/dbraw/zinc/10/96/02/584109602.db2.gz TWNUKSXQEBFYAE-UHFFFAOYSA-N 2 2 216.344 2.008 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000898313963 584111005 /nfs/dbraw/zinc/11/10/05/584111005.db2.gz JAPFNEWCROJBST-MELADBBJSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)s1 ZINC000873229682 584127380 /nfs/dbraw/zinc/12/73/80/584127380.db2.gz DTPXCCNYQBIOKR-QWHCGFSZSA-N 2 2 236.384 2.431 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858532054 588963267 /nfs/dbraw/zinc/96/32/67/588963267.db2.gz KKNAYNZMCLSOAT-KWCYVHTRSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858532054 588963269 /nfs/dbraw/zinc/96/32/69/588963269.db2.gz KKNAYNZMCLSOAT-KWCYVHTRSA-N 2 2 222.376 2.391 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]CC[NH+]1CCCC1 ZINC000902038475 584515758 /nfs/dbraw/zinc/51/57/58/584515758.db2.gz VHTKNXFQXPKWMD-UHFFFAOYSA-N 2 2 247.386 2.222 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1NC ZINC000902033612 584518933 /nfs/dbraw/zinc/51/89/33/584518933.db2.gz GEYHUTLBMWWPFF-CQSZACIVSA-N 2 2 247.386 2.302 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1NC ZINC000902033612 584518934 /nfs/dbraw/zinc/51/89/34/584518934.db2.gz GEYHUTLBMWWPFF-CQSZACIVSA-N 2 2 247.386 2.302 20 0 BEADLP CCc1ccc[nH+]c1NCc1cn(CC)c[nH+]1 ZINC000902410690 584576195 /nfs/dbraw/zinc/57/61/95/584576195.db2.gz SEUYMMKWHXTKMI-UHFFFAOYSA-N 2 2 230.315 2.473 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000902416349 584590195 /nfs/dbraw/zinc/59/01/95/584590195.db2.gz NFXJRZIAZIDVMG-SSDOTTSWSA-N 2 2 244.260 2.246 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)ccc1F ZINC000902417755 584591279 /nfs/dbraw/zinc/59/12/79/584591279.db2.gz ZNRNDYVANMTJRJ-QMMMGPOBSA-N 2 2 226.270 2.107 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cnc2ccsc2c1 ZINC000902418603 584591832 /nfs/dbraw/zinc/59/18/32/584591832.db2.gz XMGVUSXQGCBAMH-SECBINFHSA-N 2 2 247.367 2.438 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434337 584596194 /nfs/dbraw/zinc/59/61/94/584596194.db2.gz NMDJJZNHUXHBSA-BSLXNSKLSA-N 2 2 230.355 2.389 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCSC1 ZINC000902439990 584597126 /nfs/dbraw/zinc/59/71/26/584597126.db2.gz WIBLIULWHUPSCP-IACUBPJLSA-N 2 2 248.395 2.096 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000902443193 584598478 /nfs/dbraw/zinc/59/84/78/584598478.db2.gz DODQCZIGYAOOBC-BXUZGUMPSA-N 2 2 248.370 2.344 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)c(C)o1 ZINC000902413080 584599704 /nfs/dbraw/zinc/59/97/04/584599704.db2.gz HZBGTUNUCCXZJX-VIFPVBQESA-N 2 2 208.305 2.038 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902472926 584601307 /nfs/dbraw/zinc/60/13/07/584601307.db2.gz LXCIKJLXADWYFX-SYAUCNOPSA-N 2 2 242.366 2.465 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000902446587 584604172 /nfs/dbraw/zinc/60/41/72/584604172.db2.gz PJEPZLWNCMXVER-ZIAGYGMSSA-N 2 2 248.345 2.401 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000902449243 584605693 /nfs/dbraw/zinc/60/56/93/584605693.db2.gz NCQQVJMBPPKQLW-ZIAGYGMSSA-N 2 2 248.345 2.401 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000902448349 584605885 /nfs/dbraw/zinc/60/58/85/584605885.db2.gz ZNSKULAPEPOKFW-UONOGXRCSA-N 2 2 230.355 2.262 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902465410 584613730 /nfs/dbraw/zinc/61/37/30/584613730.db2.gz FWMLBEADBUAEHN-OBCWZRDOSA-N 2 2 246.354 2.239 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466588 584614184 /nfs/dbraw/zinc/61/41/84/584614184.db2.gz MEHJTQNNVZCUBF-ISGRIPCHSA-N 2 2 246.329 2.296 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccnc1 ZINC000902468778 584615464 /nfs/dbraw/zinc/61/54/64/584615464.db2.gz VIOCDYZTYWZASW-APIJFGDWSA-N 2 2 245.370 2.405 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccnc1 ZINC000902470248 584616884 /nfs/dbraw/zinc/61/68/84/584616884.db2.gz VIOCDYZTYWZASW-BYNSBNAKSA-N 2 2 245.370 2.405 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000902482193 584623882 /nfs/dbraw/zinc/62/38/82/584623882.db2.gz KGYKOZXKZWGNGX-CHWSQXEVSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902484275 584624609 /nfs/dbraw/zinc/62/46/09/584624609.db2.gz VDORXPBKEONWIO-OCCSQVGLSA-N 2 2 233.359 2.264 20 0 BEADLP [NH3+][C@@H]1C[C@H]([NH2+]C/C=C/Cl)c2ccccc21 ZINC000902522877 584632140 /nfs/dbraw/zinc/63/21/40/584632140.db2.gz ZBJDLMKBXXWILV-ZBWCZXCSSA-N 2 2 222.719 2.473 20 0 BEADLP CCn1c[nH+]c(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000902574509 584637481 /nfs/dbraw/zinc/63/74/81/584637481.db2.gz IOYXPFHUHLOEAK-UHFFFAOYSA-N 2 2 242.326 2.399 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000902604399 584641783 /nfs/dbraw/zinc/64/17/83/584641783.db2.gz LSGRLIXIVWMGMN-UHFFFAOYSA-N 2 2 247.386 2.219 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902724167 584660962 /nfs/dbraw/zinc/66/09/62/584660962.db2.gz XRWGXDOQRSNBMV-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902761318 584666399 /nfs/dbraw/zinc/66/63/99/584666399.db2.gz NJDWOFWOBPNGBJ-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902761318 584666402 /nfs/dbraw/zinc/66/64/02/584666402.db2.gz NJDWOFWOBPNGBJ-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000903198698 584734684 /nfs/dbraw/zinc/73/46/84/584734684.db2.gz PCSFMJFIUJBJOL-CABCVRRESA-N 2 2 245.370 2.426 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199455 584735030 /nfs/dbraw/zinc/73/50/30/584735030.db2.gz XWWKTFZMCMZXEV-ZWNOBZJWSA-N 2 2 219.332 2.036 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000903198699 584735162 /nfs/dbraw/zinc/73/51/62/584735162.db2.gz PCSFMJFIUJBJOL-GJZGRUSLSA-N 2 2 245.370 2.426 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(N(C)C)cc[nH+]2)C1 ZINC000903201248 584735560 /nfs/dbraw/zinc/73/55/60/584735560.db2.gz GYSIDSLMRWDWRG-RYUDHWBXSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CCC1 ZINC000903201910 584735661 /nfs/dbraw/zinc/73/56/61/584735661.db2.gz QZXOFIOUVZXNJH-LLVKDONJSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000903252541 584739052 /nfs/dbraw/zinc/73/90/52/584739052.db2.gz DTYGYJWOSXHQMR-FMSCYXPKSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000903252541 584739053 /nfs/dbraw/zinc/73/90/53/584739053.db2.gz DTYGYJWOSXHQMR-FMSCYXPKSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[N@@H+]1C ZINC000903299409 584743707 /nfs/dbraw/zinc/74/37/07/584743707.db2.gz AZUBEPLJLVVCMO-FMKGYKFTSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[N@H+]1C ZINC000903299409 584743708 /nfs/dbraw/zinc/74/37/08/584743708.db2.gz AZUBEPLJLVVCMO-FMKGYKFTSA-N 2 2 222.376 2.247 20 0 BEADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)CCCC1 ZINC000903299766 584744021 /nfs/dbraw/zinc/74/40/21/584744021.db2.gz DLPLEXZITPZUIK-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)CCCC1 ZINC000903299766 584744022 /nfs/dbraw/zinc/74/40/22/584744022.db2.gz DLPLEXZITPZUIK-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300654 584744040 /nfs/dbraw/zinc/74/40/40/584744040.db2.gz KJVRYZRVLSWXMP-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300654 584744041 /nfs/dbraw/zinc/74/40/41/584744041.db2.gz KJVRYZRVLSWXMP-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903301210 584744579 /nfs/dbraw/zinc/74/45/79/584744579.db2.gz OMUGCQLXADTXKZ-UTLUCORTSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301210 584744581 /nfs/dbraw/zinc/74/45/81/584744581.db2.gz OMUGCQLXADTXKZ-UTLUCORTSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301030 584744958 /nfs/dbraw/zinc/74/49/58/584744958.db2.gz NIYAKNCYZWZSSJ-KXUCPTDWSA-N 2 2 234.334 2.348 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301030 584744960 /nfs/dbraw/zinc/74/49/60/584744960.db2.gz NIYAKNCYZWZSSJ-KXUCPTDWSA-N 2 2 234.334 2.348 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301208 584745037 /nfs/dbraw/zinc/74/50/37/584745037.db2.gz OMUGCQLXADTXKZ-KXUCPTDWSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301208 584745038 /nfs/dbraw/zinc/74/50/38/584745038.db2.gz OMUGCQLXADTXKZ-KXUCPTDWSA-N 2 2 238.297 2.400 20 0 BEADLP Cc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903434814 584762027 /nfs/dbraw/zinc/76/20/27/584762027.db2.gz KMJIZSKIVREVKT-CQSZACIVSA-N 2 2 230.355 2.105 20 0 BEADLP Cc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903434814 584762028 /nfs/dbraw/zinc/76/20/28/584762028.db2.gz KMJIZSKIVREVKT-CQSZACIVSA-N 2 2 230.355 2.105 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903460093 584766512 /nfs/dbraw/zinc/76/65/12/584766512.db2.gz XBPTTWKYZLFZCO-LBPRGKRZSA-N 2 2 232.318 2.250 20 0 BEADLP CC(F)(F)CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000903460093 584766513 /nfs/dbraw/zinc/76/65/13/584766513.db2.gz XBPTTWKYZLFZCO-LBPRGKRZSA-N 2 2 232.318 2.250 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1F ZINC000903464381 584768184 /nfs/dbraw/zinc/76/81/84/584768184.db2.gz LHSKKXATOIVRMB-CHWSQXEVSA-N 2 2 247.317 2.039 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CC[C@H]1F ZINC000903464381 584768185 /nfs/dbraw/zinc/76/81/85/584768185.db2.gz LHSKKXATOIVRMB-CHWSQXEVSA-N 2 2 247.317 2.039 20 0 BEADLP Cc1cccnc1[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)C ZINC000903444561 584769421 /nfs/dbraw/zinc/76/94/21/584769421.db2.gz CHPHNHLAHHIWOS-ZIAGYGMSSA-N 2 2 247.386 2.429 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903476528 584777406 /nfs/dbraw/zinc/77/74/06/584777406.db2.gz ZWKUGQQXGNOIEI-MNOVXSKESA-N 2 2 232.318 2.248 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903476528 584777407 /nfs/dbraw/zinc/77/74/07/584777407.db2.gz ZWKUGQQXGNOIEI-MNOVXSKESA-N 2 2 232.318 2.248 20 0 BEADLP Cl/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483099 584779304 /nfs/dbraw/zinc/77/93/04/584779304.db2.gz DHXAHTKQPAGCLS-KFEJWOFMSA-N 2 2 214.740 2.003 20 0 BEADLP c1ccc([C@]23C[C@H]2C[N@@H+](C[C@H]2CCC[NH2+]2)C3)cc1 ZINC000903491092 584780735 /nfs/dbraw/zinc/78/07/35/584780735.db2.gz UWNOQXGSBMVMBG-ARFHVFGLSA-N 2 2 242.366 2.012 20 0 BEADLP c1ccc([C@]23C[C@H]2C[N@H+](C[C@H]2CCC[NH2+]2)C3)cc1 ZINC000903491092 584780736 /nfs/dbraw/zinc/78/07/36/584780736.db2.gz UWNOQXGSBMVMBG-ARFHVFGLSA-N 2 2 242.366 2.012 20 0 BEADLP C[NH2+]CC[N@H+](Cc1ccc2c(c1)COC2)C(C)C ZINC000903573816 584783813 /nfs/dbraw/zinc/78/38/13/584783813.db2.gz LTVOSJIDGSPFRQ-UHFFFAOYSA-N 2 2 248.370 2.147 20 0 BEADLP C[NH2+]CC[N@@H+](Cc1ccc2c(c1)COC2)C(C)C ZINC000903573816 584783815 /nfs/dbraw/zinc/78/38/15/584783815.db2.gz LTVOSJIDGSPFRQ-UHFFFAOYSA-N 2 2 248.370 2.147 20 0 BEADLP Cc1cc(C)[nH+]c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000903769421 584798019 /nfs/dbraw/zinc/79/80/19/584798019.db2.gz FWDCZZCWVSSXJD-ZFWWWQNUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000903769421 584798021 /nfs/dbraw/zinc/79/80/21/584798021.db2.gz FWDCZZCWVSSXJD-ZFWWWQNUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000903769421 584798023 /nfs/dbraw/zinc/79/80/23/584798023.db2.gz FWDCZZCWVSSXJD-ZFWWWQNUSA-N 2 2 245.370 2.012 20 0 BEADLP CC1CC(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000903775463 584799008 /nfs/dbraw/zinc/79/90/08/584799008.db2.gz LFQLAYYYPAEAOX-WXRRBKDZSA-N 2 2 210.365 2.236 20 0 BEADLP CC1CC(C[N@H+]2CCCCC[C@@H]([NH3+])C2)C1 ZINC000903775463 584799009 /nfs/dbraw/zinc/79/90/09/584799009.db2.gz LFQLAYYYPAEAOX-WXRRBKDZSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)CC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796825 584800622 /nfs/dbraw/zinc/80/06/22/584800622.db2.gz YZQXOFVSLTXHMU-STQMWFEESA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)CC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796825 584800624 /nfs/dbraw/zinc/80/06/24/584800624.db2.gz YZQXOFVSLTXHMU-STQMWFEESA-N 2 2 210.365 2.236 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CC1CCCC1 ZINC000903796524 584800867 /nfs/dbraw/zinc/80/08/67/584800867.db2.gz ADJMGRQOMXIAIX-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CC1CCCC1 ZINC000903796524 584800868 /nfs/dbraw/zinc/80/08/68/584800868.db2.gz ADJMGRQOMXIAIX-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCCCCF ZINC000903799516 584801506 /nfs/dbraw/zinc/80/15/06/584801506.db2.gz CRCGPBPXQDLJNF-QWHCGFSZSA-N 2 2 228.355 2.330 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCCCCF ZINC000903799516 584801508 /nfs/dbraw/zinc/80/15/08/584801508.db2.gz CRCGPBPXQDLJNF-QWHCGFSZSA-N 2 2 228.355 2.330 20 0 BEADLP CC1CC(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903805657 584803016 /nfs/dbraw/zinc/80/30/16/584803016.db2.gz QUHIFJPVUKSMOS-HOAMVYINSA-N 2 2 222.376 2.236 20 0 BEADLP CC1CC(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903805657 584803017 /nfs/dbraw/zinc/80/30/17/584803017.db2.gz QUHIFJPVUKSMOS-HOAMVYINSA-N 2 2 222.376 2.236 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000903821066 584803833 /nfs/dbraw/zinc/80/38/33/584803833.db2.gz GNTPDWUNZVLXGD-SECBINFHSA-N 2 2 244.791 2.489 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000903850283 584807903 /nfs/dbraw/zinc/80/79/03/584807903.db2.gz NRZKNSGAZPHWHM-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000903850283 584807904 /nfs/dbraw/zinc/80/79/04/584807904.db2.gz NRZKNSGAZPHWHM-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000903858262 584810087 /nfs/dbraw/zinc/81/00/87/584810087.db2.gz WVGKXEIYGOPCEW-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000903858262 584810089 /nfs/dbraw/zinc/81/00/89/584810089.db2.gz WVGKXEIYGOPCEW-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903859862 584810665 /nfs/dbraw/zinc/81/06/65/584810665.db2.gz PEHYJLYAXCQQJS-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903859862 584810666 /nfs/dbraw/zinc/81/06/66/584810666.db2.gz PEHYJLYAXCQQJS-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+][C@@H](C[NH2+]C1(c2ccccc2)CC1)CC(F)F ZINC000903899504 584820644 /nfs/dbraw/zinc/82/06/44/584820644.db2.gz SNEUFNSCSQQGDY-LLVKDONJSA-N 2 2 240.297 2.248 20 0 BEADLP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915220 584821258 /nfs/dbraw/zinc/82/12/58/584821258.db2.gz OCOZMKHITWYAKQ-NXEZZACHSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915220 584821259 /nfs/dbraw/zinc/82/12/59/584821259.db2.gz OCOZMKHITWYAKQ-NXEZZACHSA-N 2 2 234.334 2.337 20 0 BEADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(CCF)CC1 ZINC000903935694 584826005 /nfs/dbraw/zinc/82/60/05/584826005.db2.gz SITRKHYSZODDDO-SNVBAGLBSA-N 2 2 238.297 2.041 20 0 BEADLP C[C@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000903959307 584827578 /nfs/dbraw/zinc/82/75/78/584827578.db2.gz FDOQEMJYDGGXJX-HFAKWTLXSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000903960795 584828135 /nfs/dbraw/zinc/82/81/35/584828135.db2.gz ZXCQSPVLVXQTET-ZRNPCAPESA-N 2 2 234.318 2.036 20 0 BEADLP CSc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960723 584828464 /nfs/dbraw/zinc/82/84/64/584828464.db2.gz WPCBQRHYKYXPDN-ZWNOBZJWSA-N 2 2 236.384 2.106 20 0 BEADLP F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000903948547 584830182 /nfs/dbraw/zinc/83/01/82/584830182.db2.gz QNTKSSVHFJQUIQ-CABCVRRESA-N 2 2 248.345 2.354 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950954 584830740 /nfs/dbraw/zinc/83/07/40/584830740.db2.gz UIABVZBKSZRQAU-SNVBAGLBSA-N 2 2 247.367 2.446 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cc(C2CC2)no1 ZINC000903953636 584831711 /nfs/dbraw/zinc/83/17/11/584831711.db2.gz HUHDEFDMHPMVAK-LLVKDONJSA-N 2 2 237.347 2.015 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000903964426 584833889 /nfs/dbraw/zinc/83/38/89/584833889.db2.gz QMFDJNCKNKJEGS-BXKDBHETSA-N 2 2 240.297 2.322 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904350887 584869461 /nfs/dbraw/zinc/86/94/61/584869461.db2.gz RXARTPBFROFUIA-OLZOCXBDSA-N 3 2 243.439 2.247 20 0 BEADLP [NH3+]CC1CC([NH2+]c2ccc3c(c2)CCCN3)C1 ZINC000904354463 584870286 /nfs/dbraw/zinc/87/02/86/584870286.db2.gz ZCIQPBPALVBVOF-UHFFFAOYSA-N 2 2 231.343 2.194 20 0 BEADLP [NH3+]CC1CC(Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000904354463 584870287 /nfs/dbraw/zinc/87/02/87/584870287.db2.gz ZCIQPBPALVBVOF-UHFFFAOYSA-N 2 2 231.343 2.194 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000904389538 584875491 /nfs/dbraw/zinc/87/54/91/584875491.db2.gz MQWXITHCYKEWJN-GXTWGEPZSA-N 2 2 248.370 2.406 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)nc1 ZINC000817951733 584991768 /nfs/dbraw/zinc/99/17/68/584991768.db2.gz AAMSXTRKISRMKB-SECBINFHSA-N 2 2 239.750 2.138 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000747916477 585185553 /nfs/dbraw/zinc/18/55/53/585185553.db2.gz RNCOFOJMECDEAK-SFAKSCPVSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000747916477 585185554 /nfs/dbraw/zinc/18/55/54/585185554.db2.gz RNCOFOJMECDEAK-SFAKSCPVSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000747916474 585185568 /nfs/dbraw/zinc/18/55/68/585185568.db2.gz RNCOFOJMECDEAK-BAABZTOOSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000747916474 585185569 /nfs/dbraw/zinc/18/55/69/585185569.db2.gz RNCOFOJMECDEAK-BAABZTOOSA-N 2 2 234.318 2.133 20 0 BEADLP c1cc(C[NH2+]CCCNc2cccc[nH+]2)co1 ZINC000751508235 585231344 /nfs/dbraw/zinc/23/13/44/585231344.db2.gz YTUZAZIOHWDCMN-UHFFFAOYSA-N 2 2 231.299 2.266 20 0 BEADLP CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000753371632 585257504 /nfs/dbraw/zinc/25/75/04/585257504.db2.gz ODISKKXFHPAKAQ-UHFFFAOYSA-N 2 2 242.326 2.157 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000756123575 585315008 /nfs/dbraw/zinc/31/50/08/585315008.db2.gz YMTGWUUUCIQUBV-UONOGXRCSA-N 2 2 230.355 2.010 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000756123575 585315009 /nfs/dbraw/zinc/31/50/09/585315009.db2.gz YMTGWUUUCIQUBV-UONOGXRCSA-N 2 2 230.355 2.010 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772009 585492456 /nfs/dbraw/zinc/49/24/56/585492456.db2.gz ULXCCUDPQLGDQM-NHYWBVRUSA-N 2 2 246.354 2.072 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772009 585492457 /nfs/dbraw/zinc/49/24/57/585492457.db2.gz ULXCCUDPQLGDQM-NHYWBVRUSA-N 2 2 246.354 2.072 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000768688179 585541843 /nfs/dbraw/zinc/54/18/43/585541843.db2.gz FRXRQNCIKXEVHQ-HTAVTVPLSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000768688179 585541844 /nfs/dbraw/zinc/54/18/44/585541844.db2.gz FRXRQNCIKXEVHQ-HTAVTVPLSA-N 2 2 246.345 2.494 20 0 BEADLP FC(F)C1CC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000768688655 585542020 /nfs/dbraw/zinc/54/20/20/585542020.db2.gz BRQWWNRAYVPQAR-CXQJBGSLSA-N 2 2 244.329 2.104 20 0 BEADLP FC(F)C1CC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000768688655 585542021 /nfs/dbraw/zinc/54/20/21/585542021.db2.gz BRQWWNRAYVPQAR-CXQJBGSLSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704654 585542249 /nfs/dbraw/zinc/54/22/49/585542249.db2.gz BSMRJUYJHVLQGB-QARRAHMOSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704654 585542250 /nfs/dbraw/zinc/54/22/50/585542250.db2.gz BSMRJUYJHVLQGB-QARRAHMOSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)c1ccccc1N(C)C ZINC000769689630 585561887 /nfs/dbraw/zinc/56/18/87/585561887.db2.gz SKVRQEKLEYUSOL-OLZOCXBDSA-N 2 2 247.386 2.107 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000769689630 585561888 /nfs/dbraw/zinc/56/18/88/585561888.db2.gz SKVRQEKLEYUSOL-OLZOCXBDSA-N 2 2 247.386 2.107 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000775956676 585688154 /nfs/dbraw/zinc/68/81/54/585688154.db2.gz ZJVXUJNYQLIGDG-UKRRQHHQSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000775956676 585688155 /nfs/dbraw/zinc/68/81/55/585688155.db2.gz ZJVXUJNYQLIGDG-UKRRQHHQSA-N 2 2 232.371 2.159 20 0 BEADLP CCc1cc(NCC[N@H+]2CCC[C@H]2C)nc(C)[nH+]1 ZINC000782148158 585808530 /nfs/dbraw/zinc/80/85/30/585808530.db2.gz LBMIVFRHNKSIQF-LLVKDONJSA-N 2 2 248.374 2.244 20 0 BEADLP C[C@H](C1CC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000782185624 585811127 /nfs/dbraw/zinc/81/11/27/585811127.db2.gz ZTRSUEZZPBNTFR-DGCLKSJQSA-N 2 2 219.332 2.319 20 0 BEADLP C[C@H](C1CC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000782185624 585811128 /nfs/dbraw/zinc/81/11/28/585811128.db2.gz ZTRSUEZZPBNTFR-DGCLKSJQSA-N 2 2 219.332 2.319 20 0 BEADLP COC1(C[NH2+]CC[N@@H+]2CCC[C@H]2C)CCCC1 ZINC000790971877 585971370 /nfs/dbraw/zinc/97/13/70/585971370.db2.gz XNBJGNGWYGJKEN-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+]CC[N@H+]2CCC[C@H]2C)CCCC1 ZINC000790971877 585971371 /nfs/dbraw/zinc/97/13/71/585971371.db2.gz XNBJGNGWYGJKEN-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000796456257 586103983 /nfs/dbraw/zinc/10/39/83/586103983.db2.gz LRUXYOQEYONCQH-NWDGAFQWSA-N 2 2 237.347 2.093 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000806140571 586405115 /nfs/dbraw/zinc/40/51/15/586405115.db2.gz YUYRRIHHVHDXRD-ZNMIVQPWSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000806140571 586405118 /nfs/dbraw/zinc/40/51/18/586405118.db2.gz YUYRRIHHVHDXRD-ZNMIVQPWSA-N 2 2 234.387 2.249 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC2(C)C)s1 ZINC000809578160 586507616 /nfs/dbraw/zinc/50/76/16/586507616.db2.gz ILPXQDDXMRSUIK-UHFFFAOYSA-N 2 2 239.388 2.189 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC2(C)C)s1 ZINC000809578160 586507618 /nfs/dbraw/zinc/50/76/18/586507618.db2.gz ILPXQDDXMRSUIK-UHFFFAOYSA-N 2 2 239.388 2.189 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC1(CO)CC1 ZINC000809648697 586510624 /nfs/dbraw/zinc/51/06/24/586510624.db2.gz KPXWPHWRLIMQNC-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC1(CO)CC1 ZINC000809648697 586510625 /nfs/dbraw/zinc/51/06/25/586510625.db2.gz KPXWPHWRLIMQNC-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(C)o1 ZINC000810171109 586536012 /nfs/dbraw/zinc/53/60/12/586536012.db2.gz FJSZTXCLLBKRRC-LBPRGKRZSA-N 2 2 245.326 2.267 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(C)o1 ZINC000810171109 586536013 /nfs/dbraw/zinc/53/60/13/586536013.db2.gz FJSZTXCLLBKRRC-LBPRGKRZSA-N 2 2 245.326 2.267 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000817897328 586834723 /nfs/dbraw/zinc/83/47/23/586834723.db2.gz KRMSWOMNRNNRJI-STQMWFEESA-N 2 2 222.307 2.104 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000817897326 586834856 /nfs/dbraw/zinc/83/48/56/586834856.db2.gz KRMSWOMNRNNRJI-OLZOCXBDSA-N 2 2 222.307 2.104 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccnc1Cl ZINC000817936060 586844389 /nfs/dbraw/zinc/84/43/89/586844389.db2.gz MUZHJCJDNRQWSJ-SECBINFHSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817940085 586845127 /nfs/dbraw/zinc/84/51/27/586845127.db2.gz DQSPNVPPFZMEAE-BXUZGUMPSA-N 2 2 246.354 2.024 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000817941819 586845578 /nfs/dbraw/zinc/84/55/78/586845578.db2.gz SGOQBIHRTKZUPD-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000817944721 586846191 /nfs/dbraw/zinc/84/61/91/586846191.db2.gz KIBGZJOCSPALIH-QWHCGFSZSA-N 2 2 248.370 2.325 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817951636 586847854 /nfs/dbraw/zinc/84/78/54/586847854.db2.gz IHNCJGNXVCMEOH-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817951907 586848293 /nfs/dbraw/zinc/84/82/93/586848293.db2.gz KZJDIHGPUDTWQG-FZMZJTMJSA-N 2 2 246.354 2.024 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817958200 586850329 /nfs/dbraw/zinc/85/03/29/586850329.db2.gz INVXKXXBGVMOAV-ONGXEEELSA-N 2 2 241.766 2.369 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817958198 586850431 /nfs/dbraw/zinc/85/04/31/586850431.db2.gz INVXKXXBGVMOAV-MWLCHTKSSA-N 2 2 241.766 2.369 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817961604 586853047 /nfs/dbraw/zinc/85/30/47/586853047.db2.gz ANFAUNQGAHXCKK-GFCCVEGCSA-N 2 2 248.370 2.272 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccnc1Cl ZINC000817965745 586854600 /nfs/dbraw/zinc/85/46/00/586854600.db2.gz UVXWFEWIEVPDRV-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccnc1Cl ZINC000817965752 586854837 /nfs/dbraw/zinc/85/48/37/586854837.db2.gz UVXWFEWIEVPDRV-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccnc1Cl ZINC000817979255 586861495 /nfs/dbraw/zinc/86/14/95/586861495.db2.gz IZPDYBPOTFZQIL-RKDXNWHRSA-N 2 2 227.739 2.123 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817977774 586861778 /nfs/dbraw/zinc/86/17/78/586861778.db2.gz ONAGTMWMRPDVGW-CIUDSAMLSA-N 2 2 227.739 2.121 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@](C)(F)C2)n1C ZINC000826030316 587349053 /nfs/dbraw/zinc/34/90/53/587349053.db2.gz WMSUQJUISLKPMO-LBPRGKRZSA-N 2 2 225.311 2.053 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@](C)(F)C2)n1C ZINC000826030316 587349054 /nfs/dbraw/zinc/34/90/54/587349054.db2.gz WMSUQJUISLKPMO-LBPRGKRZSA-N 2 2 225.311 2.053 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000826795705 587362701 /nfs/dbraw/zinc/36/27/01/587362701.db2.gz CQRYHTJNEVBIKS-CQSZACIVSA-N 2 2 248.370 2.480 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000828515124 587446867 /nfs/dbraw/zinc/44/68/67/587446867.db2.gz FSIOVVRDXPXUSN-ITGUQSILSA-N 2 2 212.381 2.352 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000834566073 587759565 /nfs/dbraw/zinc/75/95/65/587759565.db2.gz BCMXTKWOWMPEJR-MRXNPFEDSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC000834566073 587759566 /nfs/dbraw/zinc/75/95/66/587759566.db2.gz BCMXTKWOWMPEJR-MRXNPFEDSA-N 2 2 244.382 2.228 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000834566691 587759577 /nfs/dbraw/zinc/75/95/77/587759577.db2.gz QHAQKAHDUCKMMJ-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000834566691 587759578 /nfs/dbraw/zinc/75/95/78/587759578.db2.gz QHAQKAHDUCKMMJ-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000841018024 587935541 /nfs/dbraw/zinc/93/55/41/587935541.db2.gz ADPOHKSHDPOXKI-UONOGXRCSA-N 2 2 247.386 2.244 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000841018024 587935543 /nfs/dbraw/zinc/93/55/43/587935543.db2.gz ADPOHKSHDPOXKI-UONOGXRCSA-N 2 2 247.386 2.244 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841038812 587938449 /nfs/dbraw/zinc/93/84/49/587938449.db2.gz QXHUZRZGWYSNGL-LLVKDONJSA-N 2 2 241.766 2.198 20 0 BEADLP COc1ccc([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)cc1N ZINC000841041226 587938548 /nfs/dbraw/zinc/93/85/48/587938548.db2.gz YIXXOOUUYHXQCA-QWRGUYRKSA-N 2 2 249.358 2.077 20 0 BEADLP c1ccc2c(c1)cncc2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000841043499 587939301 /nfs/dbraw/zinc/93/93/01/587939301.db2.gz RSFJVNQKPZEMDM-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP CC(C)(C)C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841053333 587939756 /nfs/dbraw/zinc/93/97/56/587939756.db2.gz SOYOSKNTBMKTOQ-UHFFFAOYSA-N 2 2 222.332 2.482 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000841065306 587941584 /nfs/dbraw/zinc/94/15/84/587941584.db2.gz NPDHCNLWBXQJDK-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000841078066 587944558 /nfs/dbraw/zinc/94/45/58/587944558.db2.gz FGQLVFGNMJMATN-RKDXNWHRSA-N 2 2 242.750 2.174 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000843347950 588102764 /nfs/dbraw/zinc/10/27/64/588102764.db2.gz YXEAJFDMSLKFBW-KGLIPLIRSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347950 588102767 /nfs/dbraw/zinc/10/27/67/588102767.db2.gz YXEAJFDMSLKFBW-KGLIPLIRSA-N 3 2 241.423 2.097 20 0 BEADLP FC1(F)CC12CC[NH+](CC[NH+]1CCCC1)CC2 ZINC000844409774 588190875 /nfs/dbraw/zinc/19/08/75/588190875.db2.gz PFZHCGGCSFFYCJ-UHFFFAOYSA-N 2 2 244.329 2.203 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000850120117 588520766 /nfs/dbraw/zinc/52/07/66/588520766.db2.gz WDSRSKWBQYDBJA-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000850120117 588520767 /nfs/dbraw/zinc/52/07/67/588520767.db2.gz WDSRSKWBQYDBJA-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CCOc1ccc(NCc2cn(C)c[nH+]2)[nH+]c1C ZINC000850411021 588545165 /nfs/dbraw/zinc/54/51/65/588545165.db2.gz KASCHGNDPGVULK-UHFFFAOYSA-N 2 2 246.314 2.134 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000850437941 588546487 /nfs/dbraw/zinc/54/64/87/588546487.db2.gz BBODYKFNONXBLL-NWDGAFQWSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000850437941 588546489 /nfs/dbraw/zinc/54/64/89/588546489.db2.gz BBODYKFNONXBLL-NWDGAFQWSA-N 2 2 248.411 2.152 20 0 BEADLP COC1([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)CCC1 ZINC000850438573 588546724 /nfs/dbraw/zinc/54/67/24/588546724.db2.gz HPUMXJBAYKTSLF-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)CCC1 ZINC000850438573 588546725 /nfs/dbraw/zinc/54/67/25/588546725.db2.gz HPUMXJBAYKTSLF-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000850556927 588560309 /nfs/dbraw/zinc/56/03/09/588560309.db2.gz UKLGOCKWOPTTSK-MELADBBJSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000850556927 588560310 /nfs/dbraw/zinc/56/03/10/588560310.db2.gz UKLGOCKWOPTTSK-MELADBBJSA-N 2 2 222.376 2.249 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000851752439 588623599 /nfs/dbraw/zinc/62/35/99/588623599.db2.gz BQBZVAMTVYHNFR-HZSPNIEDSA-N 2 2 249.358 2.088 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000851752439 588623600 /nfs/dbraw/zinc/62/36/00/588623600.db2.gz BQBZVAMTVYHNFR-HZSPNIEDSA-N 2 2 249.358 2.088 20 0 BEADLP C[N@H+](CCOC1CCCCCC1)CC(C)(C)[NH3+] ZINC000852754232 588700444 /nfs/dbraw/zinc/70/04/44/588700444.db2.gz DACCGZHOTNEGNE-UHFFFAOYSA-N 2 2 242.407 2.395 20 0 BEADLP C[N@@H+](CCOC1CCCCCC1)CC(C)(C)[NH3+] ZINC000852754232 588700445 /nfs/dbraw/zinc/70/04/45/588700445.db2.gz DACCGZHOTNEGNE-UHFFFAOYSA-N 2 2 242.407 2.395 20 0 BEADLP CO[C@H]1C[C@@H](C[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000862547927 589220028 /nfs/dbraw/zinc/22/00/28/589220028.db2.gz TWWCVTRSLGCPAZ-OTVXOJSOSA-N 2 2 248.370 2.337 20 0 BEADLP CCC[C@H](C)CCC[N@H+](C)CC[NH2+]C ZINC000863545437 589298166 /nfs/dbraw/zinc/29/81/66/589298166.db2.gz RXWDVFZDCLUVQN-LBPRGKRZSA-N 2 2 200.370 2.354 20 0 BEADLP CCC[C@H](C)CCC[N@@H+](C)CC[NH2+]C ZINC000863545437 589298167 /nfs/dbraw/zinc/29/81/67/589298167.db2.gz RXWDVFZDCLUVQN-LBPRGKRZSA-N 2 2 200.370 2.354 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863643891 589306731 /nfs/dbraw/zinc/30/67/31/589306731.db2.gz AMUBPHQKZIUUCT-RKDXNWHRSA-N 2 2 236.281 2.202 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000863651502 589306956 /nfs/dbraw/zinc/30/69/56/589306956.db2.gz KJEXESNBASHMKF-PGLGOXFNSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000863651502 589306958 /nfs/dbraw/zinc/30/69/58/589306958.db2.gz KJEXESNBASHMKF-PGLGOXFNSA-N 2 2 222.307 2.118 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000864097497 589344616 /nfs/dbraw/zinc/34/46/16/589344616.db2.gz XNPYDDSCDPODOB-GXTWGEPZSA-N 2 2 248.370 2.186 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000864097497 589344619 /nfs/dbraw/zinc/34/46/19/589344619.db2.gz XNPYDDSCDPODOB-GXTWGEPZSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)nc(C)[nH+]1 ZINC000866115136 589477264 /nfs/dbraw/zinc/47/72/64/589477264.db2.gz VVZWIMCWKGQQGU-UHFFFAOYSA-N 2 2 248.374 2.014 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866215213 589481081 /nfs/dbraw/zinc/48/10/81/589481081.db2.gz WHFSUHLZWHYQME-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000866241024 589482141 /nfs/dbraw/zinc/48/21/41/589482141.db2.gz UALHRYNDQGDMGO-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000866241024 589482142 /nfs/dbraw/zinc/48/21/42/589482142.db2.gz UALHRYNDQGDMGO-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000866259234 589483378 /nfs/dbraw/zinc/48/33/78/589483378.db2.gz KDUGUHHYRXQXMF-ZFWWWQNUSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000866259234 589483379 /nfs/dbraw/zinc/48/33/79/589483379.db2.gz KDUGUHHYRXQXMF-ZFWWWQNUSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)c1 ZINC000866356690 589487612 /nfs/dbraw/zinc/48/76/12/589487612.db2.gz ODEWPQSWDHOECO-KGLIPLIRSA-N 2 2 234.387 2.466 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1[NH3+] ZINC000866663354 589509031 /nfs/dbraw/zinc/50/90/31/589509031.db2.gz FBDASWDQKYGIOE-MFKMUULPSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1[NH3+] ZINC000866663354 589509033 /nfs/dbraw/zinc/50/90/33/589509033.db2.gz FBDASWDQKYGIOE-MFKMUULPSA-N 2 2 249.358 2.111 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866722329 589515158 /nfs/dbraw/zinc/51/51/58/589515158.db2.gz XEEBBKSQFKTPAL-HUUCEWRRSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866722329 589515159 /nfs/dbraw/zinc/51/51/59/589515159.db2.gz XEEBBKSQFKTPAL-HUUCEWRRSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720599 589515374 /nfs/dbraw/zinc/51/53/74/589515374.db2.gz GSADHQQOYLTHPX-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866720599 589515375 /nfs/dbraw/zinc/51/53/75/589515375.db2.gz GSADHQQOYLTHPX-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720606 589515401 /nfs/dbraw/zinc/51/54/01/589515401.db2.gz GSADHQQOYLTHPX-LSDHHAIUSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866720606 589515403 /nfs/dbraw/zinc/51/54/03/589515403.db2.gz GSADHQQOYLTHPX-LSDHHAIUSA-N 2 2 230.355 2.321 20 0 BEADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000872035251 589858447 /nfs/dbraw/zinc/85/84/47/589858447.db2.gz UUTUJCAGLKUBDZ-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000872035251 589858450 /nfs/dbraw/zinc/85/84/50/589858450.db2.gz UUTUJCAGLKUBDZ-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000872035252 589858638 /nfs/dbraw/zinc/85/86/38/589858638.db2.gz UUTUJCAGLKUBDZ-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000872035252 589858641 /nfs/dbraw/zinc/85/86/41/589858641.db2.gz UUTUJCAGLKUBDZ-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872141451 589882021 /nfs/dbraw/zinc/88/20/21/589882021.db2.gz GRLZMVJBIWGAGV-QMMMGPOBSA-N 2 2 248.248 2.079 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872141451 589882022 /nfs/dbraw/zinc/88/20/22/589882022.db2.gz GRLZMVJBIWGAGV-QMMMGPOBSA-N 2 2 248.248 2.079 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000873221919 590000038 /nfs/dbraw/zinc/00/00/38/590000038.db2.gz TYOKECOOZIEUIP-RYUDHWBXSA-N 2 2 242.432 2.059 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000873221919 590000040 /nfs/dbraw/zinc/00/00/40/590000040.db2.gz TYOKECOOZIEUIP-RYUDHWBXSA-N 2 2 242.432 2.059 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)s1 ZINC000873229681 590001645 /nfs/dbraw/zinc/00/16/45/590001645.db2.gz DTPXCCNYQBIOKR-OLZOCXBDSA-N 2 2 236.384 2.431 20 0 BEADLP COc1ccccc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230395 590001744 /nfs/dbraw/zinc/00/17/44/590001744.db2.gz QSBOKPUFQGSUFF-LSDHHAIUSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccccc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229388 590002059 /nfs/dbraw/zinc/00/20/59/590002059.db2.gz WANBITOFAPFHOQ-GJZGRUSLSA-N 2 2 230.355 2.369 20 0 BEADLP COc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230202 590002275 /nfs/dbraw/zinc/00/22/75/590002275.db2.gz NJOVYLZPNLCUDU-HUUCEWRRSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccsc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230715 590002812 /nfs/dbraw/zinc/00/28/12/590002812.db2.gz XASWDZIUKIWFTB-QWHCGFSZSA-N 2 2 236.384 2.431 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230682 590002905 /nfs/dbraw/zinc/00/29/05/590002905.db2.gz WDLUKKGTOHUXHO-GJZGRUSLSA-N 2 2 230.355 2.369 20 0 BEADLP COc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230919 590003327 /nfs/dbraw/zinc/00/33/27/590003327.db2.gz ZVVHBFFQPQNQMB-CABCVRRESA-N 2 2 246.354 2.069 20 0 BEADLP COc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230922 590003373 /nfs/dbraw/zinc/00/33/73/590003373.db2.gz ZVVHBFFQPQNQMB-LSDHHAIUSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccsc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230714 590003594 /nfs/dbraw/zinc/00/35/94/590003594.db2.gz XASWDZIUKIWFTB-OLZOCXBDSA-N 2 2 236.384 2.431 20 0 BEADLP Cc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000019905719 590041320 /nfs/dbraw/zinc/04/13/20/590041320.db2.gz RSPJGSOGEBMPBV-UHFFFAOYSA-N 2 2 224.348 2.265 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1c(C)noc1C ZINC000020253028 590093443 /nfs/dbraw/zinc/09/34/43/590093443.db2.gz WTWBROPDBNAZQU-UHFFFAOYSA-N 2 2 239.363 2.113 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000877156573 590293526 /nfs/dbraw/zinc/29/35/26/590293526.db2.gz XNZIEVANALZVQP-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@H+]2CCC[C@@H]2C)CC1 ZINC000877156573 590293528 /nfs/dbraw/zinc/29/35/28/590293528.db2.gz XNZIEVANALZVQP-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP COC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000126431173 590302331 /nfs/dbraw/zinc/30/23/31/590302331.db2.gz PPRYLSSIVSSJQW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743765 590410786 /nfs/dbraw/zinc/41/07/86/590410786.db2.gz YFAMJOPHEOLXNX-ZIAGYGMSSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743765 590410787 /nfs/dbraw/zinc/41/07/87/590410787.db2.gz YFAMJOPHEOLXNX-ZIAGYGMSSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743765 590410788 /nfs/dbraw/zinc/41/07/88/590410788.db2.gz YFAMJOPHEOLXNX-ZIAGYGMSSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877743765 590410789 /nfs/dbraw/zinc/41/07/89/590410789.db2.gz YFAMJOPHEOLXNX-ZIAGYGMSSA-N 2 2 234.343 2.114 20 0 BEADLP CO[C@H]1C[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000878172618 590514693 /nfs/dbraw/zinc/51/46/93/590514693.db2.gz KIXLZWSEZVJYMF-BJHJDKERSA-N 2 2 249.358 2.014 20 0 BEADLP Cc1conc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000878266847 590531679 /nfs/dbraw/zinc/53/16/79/590531679.db2.gz ITWLRTPIKNGATE-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878790923 590623187 /nfs/dbraw/zinc/62/31/87/590623187.db2.gz XXZXCWDDOXAQQT-UHFFFAOYSA-N 2 2 225.723 2.020 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC=C(Cl)C1 ZINC000878790923 590623188 /nfs/dbraw/zinc/62/31/88/590623188.db2.gz XXZXCWDDOXAQQT-UHFFFAOYSA-N 2 2 225.723 2.020 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529974 590791766 /nfs/dbraw/zinc/79/17/66/590791766.db2.gz HVUVUBKSZOWIGN-OKILXGFUSA-N 2 2 231.343 2.090 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529974 590791768 /nfs/dbraw/zinc/79/17/68/590791768.db2.gz HVUVUBKSZOWIGN-OKILXGFUSA-N 2 2 231.343 2.090 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCC3)CC[C@@H]21 ZINC000879573429 590811053 /nfs/dbraw/zinc/81/10/53/590811053.db2.gz OBQVQUXUDJPGLQ-MCIONIFRSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCC3)CC[C@@H]21 ZINC000879573429 590811057 /nfs/dbraw/zinc/81/10/57/590811057.db2.gz OBQVQUXUDJPGLQ-MCIONIFRSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CC[C@@H]21 ZINC000879573429 590811058 /nfs/dbraw/zinc/81/10/58/590811058.db2.gz OBQVQUXUDJPGLQ-MCIONIFRSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3C=CCCC3)CC[C@@H]21 ZINC000879573429 590811062 /nfs/dbraw/zinc/81/10/62/590811062.db2.gz OBQVQUXUDJPGLQ-MCIONIFRSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC000879577166 590815637 /nfs/dbraw/zinc/81/56/37/590815637.db2.gz HDLOSYDDLBSNQZ-ALTINICFSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC000879577166 590815640 /nfs/dbraw/zinc/81/56/40/590815640.db2.gz HDLOSYDDLBSNQZ-ALTINICFSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC000879577166 590815644 /nfs/dbraw/zinc/81/56/44/590815644.db2.gz HDLOSYDDLBSNQZ-ALTINICFSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@H]21 ZINC000879577166 590815646 /nfs/dbraw/zinc/81/56/46/590815646.db2.gz HDLOSYDDLBSNQZ-ALTINICFSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130259 590930956 /nfs/dbraw/zinc/93/09/56/590930956.db2.gz NVFZMIFUBZXRPY-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130259 590930960 /nfs/dbraw/zinc/93/09/60/590930960.db2.gz NVFZMIFUBZXRPY-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000880130259 590930961 /nfs/dbraw/zinc/93/09/61/590930961.db2.gz NVFZMIFUBZXRPY-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000880130259 590930965 /nfs/dbraw/zinc/93/09/65/590930965.db2.gz NVFZMIFUBZXRPY-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134606 590938106 /nfs/dbraw/zinc/93/81/06/590938106.db2.gz NSBIKKJIAFIBRF-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134606 590938110 /nfs/dbraw/zinc/93/81/10/590938110.db2.gz NSBIKKJIAFIBRF-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134606 590938112 /nfs/dbraw/zinc/93/81/12/590938112.db2.gz NSBIKKJIAFIBRF-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880134606 590938115 /nfs/dbraw/zinc/93/81/15/590938115.db2.gz NSBIKKJIAFIBRF-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)cn1 ZINC000880142774 590941711 /nfs/dbraw/zinc/94/17/11/590941711.db2.gz UHXCPAJRWRCHQT-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cn1 ZINC000880142774 590941713 /nfs/dbraw/zinc/94/17/13/590941713.db2.gz UHXCPAJRWRCHQT-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cn1 ZINC000880142774 590941715 /nfs/dbraw/zinc/94/17/15/590941715.db2.gz UHXCPAJRWRCHQT-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cn1 ZINC000880142774 590941716 /nfs/dbraw/zinc/94/17/16/590941716.db2.gz UHXCPAJRWRCHQT-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880141206 590942338 /nfs/dbraw/zinc/94/23/38/590942338.db2.gz HNPRBUOFMJVGTD-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880141206 590942342 /nfs/dbraw/zinc/94/23/42/590942342.db2.gz HNPRBUOFMJVGTD-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141206 590942346 /nfs/dbraw/zinc/94/23/46/590942346.db2.gz HNPRBUOFMJVGTD-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141206 590942349 /nfs/dbraw/zinc/94/23/49/590942349.db2.gz HNPRBUOFMJVGTD-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCF ZINC000880141958 590942563 /nfs/dbraw/zinc/94/25/63/590942563.db2.gz LFANHZFQZKKHKN-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCF ZINC000880141958 590942564 /nfs/dbraw/zinc/94/25/64/590942564.db2.gz LFANHZFQZKKHKN-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC000880141958 590942565 /nfs/dbraw/zinc/94/25/65/590942565.db2.gz LFANHZFQZKKHKN-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC000880141958 590942566 /nfs/dbraw/zinc/94/25/66/590942566.db2.gz LFANHZFQZKKHKN-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CC1 ZINC000880141548 590942577 /nfs/dbraw/zinc/94/25/77/590942577.db2.gz QQGTYTNOXGFYRB-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CC1 ZINC000880141548 590942578 /nfs/dbraw/zinc/94/25/78/590942578.db2.gz QQGTYTNOXGFYRB-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CC1 ZINC000880141548 590942579 /nfs/dbraw/zinc/94/25/79/590942579.db2.gz QQGTYTNOXGFYRB-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CC1 ZINC000880141548 590942580 /nfs/dbraw/zinc/94/25/80/590942580.db2.gz QQGTYTNOXGFYRB-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP CCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209434 590958823 /nfs/dbraw/zinc/95/88/23/590958823.db2.gz TXZAWKYRUWHGMM-CQSZACIVSA-N 2 2 240.391 2.020 20 0 BEADLP CCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209434 590958828 /nfs/dbraw/zinc/95/88/28/590958828.db2.gz TXZAWKYRUWHGMM-CQSZACIVSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[N@@H+]1CC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881838517 591273935 /nfs/dbraw/zinc/27/39/35/591273935.db2.gz VTPSEUVEKXHWHV-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP CCC[N@H+]1CC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881838517 591273937 /nfs/dbraw/zinc/27/39/37/591273937.db2.gz VTPSEUVEKXHWHV-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP CC[NH+]1CCC(CNc2nc[nH+]c(C)c2C)CC1 ZINC000881842004 591274625 /nfs/dbraw/zinc/27/46/25/591274625.db2.gz OHCAZHBVUFKZMV-UHFFFAOYSA-N 2 2 248.374 2.237 20 0 BEADLP CC[N@@H+]1CCC[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881864325 591274866 /nfs/dbraw/zinc/27/48/66/591274866.db2.gz ONPHLRYUZNHSNW-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP CC[N@H+]1CCC[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881864325 591274868 /nfs/dbraw/zinc/27/48/68/591274868.db2.gz ONPHLRYUZNHSNW-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP CCC[N@H+](CC)CCNc1nc[nH+]c(C)c1C ZINC000882043553 591291618 /nfs/dbraw/zinc/29/16/18/591291618.db2.gz ATGQGCQVIDJVJP-UHFFFAOYSA-N 2 2 236.363 2.237 20 0 BEADLP CCC[N@@H+](CC)CCNc1nc[nH+]c(C)c1C ZINC000882043553 591291620 /nfs/dbraw/zinc/29/16/20/591291620.db2.gz ATGQGCQVIDJVJP-UHFFFAOYSA-N 2 2 236.363 2.237 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000882056729 591293309 /nfs/dbraw/zinc/29/33/09/591293309.db2.gz DGPLTPXPAJIQHC-OLZOCXBDSA-N 2 2 248.374 2.378 20 0 BEADLP C[N@@H+]1CCN(c2cc[nH+]cc2F)CCC1(C)C ZINC000882689113 591412317 /nfs/dbraw/zinc/41/23/17/591412317.db2.gz XTVKBHXQPCWVQN-UHFFFAOYSA-N 2 2 237.322 2.141 20 0 BEADLP C[N@H+]1CCN(c2cc[nH+]cc2F)CCC1(C)C ZINC000882689113 591412319 /nfs/dbraw/zinc/41/23/19/591412319.db2.gz XTVKBHXQPCWVQN-UHFFFAOYSA-N 2 2 237.322 2.141 20 0 BEADLP CC[N@@H+]1CC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000882961800 591486892 /nfs/dbraw/zinc/48/68/92/591486892.db2.gz XYFAQNOQQBUTPD-LBPRGKRZSA-N 2 2 246.358 2.169 20 0 BEADLP CC[N@H+]1CC[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000882961800 591486894 /nfs/dbraw/zinc/48/68/94/591486894.db2.gz XYFAQNOQQBUTPD-LBPRGKRZSA-N 2 2 246.358 2.169 20 0 BEADLP Cc1[nH+]cc(CNc2c[nH+]c(C)c(C)c2)n1C ZINC000883341241 591619718 /nfs/dbraw/zinc/61/97/18/591619718.db2.gz KXZABKFUDQSEBZ-UHFFFAOYSA-N 2 2 230.315 2.352 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000883354822 591625524 /nfs/dbraw/zinc/62/55/24/591625524.db2.gz CSBOWVTUDUKVRI-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000883354822 591625526 /nfs/dbraw/zinc/62/55/26/591625526.db2.gz CSBOWVTUDUKVRI-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000883354821 591626378 /nfs/dbraw/zinc/62/63/78/591626378.db2.gz CSBOWVTUDUKVRI-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000883354821 591626380 /nfs/dbraw/zinc/62/63/80/591626380.db2.gz CSBOWVTUDUKVRI-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883421082 591655994 /nfs/dbraw/zinc/65/59/94/591655994.db2.gz BCFXUYOYPLKPSG-XBFCOCLRSA-N 2 2 248.345 2.306 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883421082 591655997 /nfs/dbraw/zinc/65/59/97/591655997.db2.gz BCFXUYOYPLKPSG-XBFCOCLRSA-N 2 2 248.345 2.306 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422824 591656935 /nfs/dbraw/zinc/65/69/35/591656935.db2.gz VTXGRONZHLLCLF-UGFHNGPFSA-N 2 2 248.345 2.133 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422824 591656939 /nfs/dbraw/zinc/65/69/39/591656939.db2.gz VTXGRONZHLLCLF-UGFHNGPFSA-N 2 2 248.345 2.133 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883438715 591667221 /nfs/dbraw/zinc/66/72/21/591667221.db2.gz ZYHUSMUREUXGPC-NWANDNLSSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883438715 591667223 /nfs/dbraw/zinc/66/72/23/591667223.db2.gz ZYHUSMUREUXGPC-NWANDNLSSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883438713 591667721 /nfs/dbraw/zinc/66/77/21/591667721.db2.gz ZYHUSMUREUXGPC-AEGPPILISA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883438713 591667724 /nfs/dbraw/zinc/66/77/24/591667724.db2.gz ZYHUSMUREUXGPC-AEGPPILISA-N 2 2 248.370 2.186 20 0 BEADLP Cc1ccncc1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000883454451 591672695 /nfs/dbraw/zinc/67/26/95/591672695.db2.gz BLKVMCXKSDBANT-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1ccncc1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000883454451 591672699 /nfs/dbraw/zinc/67/26/99/591672699.db2.gz BLKVMCXKSDBANT-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000133195861 591776305 /nfs/dbraw/zinc/77/63/05/591776305.db2.gz HPSFYDGFZGLEGP-OCCSQVGLSA-N 2 2 218.344 2.350 20 0 BEADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000133195861 591776309 /nfs/dbraw/zinc/77/63/09/591776309.db2.gz HPSFYDGFZGLEGP-OCCSQVGLSA-N 2 2 218.344 2.350 20 0 BEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000133301676 591783984 /nfs/dbraw/zinc/78/39/84/591783984.db2.gz XRUGKJGRQDSKDW-KCQAQPDRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000134653045 591945270 /nfs/dbraw/zinc/94/52/70/591945270.db2.gz YOLVAWURWHHCDO-GFCCVEGCSA-N 2 2 238.762 2.442 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000134653045 591945273 /nfs/dbraw/zinc/94/52/73/591945273.db2.gz YOLVAWURWHHCDO-GFCCVEGCSA-N 2 2 238.762 2.442 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c(CC)n1 ZINC000884507452 591960072 /nfs/dbraw/zinc/96/00/72/591960072.db2.gz CWBTXSPDEXMVLF-LBPRGKRZSA-N 2 2 248.374 2.325 20 0 BEADLP CCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(CC)n1 ZINC000884507452 591960074 /nfs/dbraw/zinc/96/00/74/591960074.db2.gz CWBTXSPDEXMVLF-LBPRGKRZSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1nc(NCC[NH2+]C(CC)CC)cc[nH+]1 ZINC000884547387 591975262 /nfs/dbraw/zinc/97/52/62/591975262.db2.gz KEMBMLUBNNJDCW-UHFFFAOYSA-N 2 2 236.363 2.229 20 0 BEADLP C[C@H](C[NH2+]C/C=C/c1cccc(F)c1)[NH+](C)C ZINC000885968929 592117857 /nfs/dbraw/zinc/11/78/57/592117857.db2.gz FEHGKKWCZSWMAO-HOSRBBHYSA-N 2 2 236.334 2.379 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885969336 592119189 /nfs/dbraw/zinc/11/91/89/592119189.db2.gz OZRBWYSTLWOUAK-KQIUPUNMSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885969336 592119190 /nfs/dbraw/zinc/11/91/90/592119190.db2.gz OZRBWYSTLWOUAK-KQIUPUNMSA-N 2 2 234.318 2.133 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824957 592349082 /nfs/dbraw/zinc/34/90/82/592349082.db2.gz JTVNPJJHYFRXIH-RISCZKNCSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824957 592349084 /nfs/dbraw/zinc/34/90/84/592349084.db2.gz JTVNPJJHYFRXIH-RISCZKNCSA-N 2 2 234.387 2.391 20 0 BEADLP CCc1cccc(C[N@@H+](CC)[C@@H]2CC[NH2+]C2)c1 ZINC000886849028 592365651 /nfs/dbraw/zinc/36/56/51/592365651.db2.gz YWNFMQHDAFHWHD-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@H+](CC)[C@@H]2CC[NH2+]C2)c1 ZINC000886849028 592365655 /nfs/dbraw/zinc/36/56/55/592365655.db2.gz YWNFMQHDAFHWHD-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000300214470 592504292 /nfs/dbraw/zinc/50/42/92/592504292.db2.gz BMUACGWBTIEVHI-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000300214470 592504296 /nfs/dbraw/zinc/50/42/96/592504296.db2.gz BMUACGWBTIEVHI-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000223194003 592519671 /nfs/dbraw/zinc/51/96/71/592519671.db2.gz XQMXTAOGZQLCKV-BXUZGUMPSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000223194003 592519673 /nfs/dbraw/zinc/51/96/73/592519673.db2.gz XQMXTAOGZQLCKV-BXUZGUMPSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000223198368 592519862 /nfs/dbraw/zinc/51/98/62/592519862.db2.gz PGPQLGFMZVCTMH-VXGBXAGGSA-N 2 2 238.350 2.296 20 0 BEADLP c1csc(CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257737230 634486358 /nfs/dbraw/zinc/48/63/58/634486358.db2.gz YHDCADQCAKIEJD-ZDUSSCGKSA-N 2 2 236.384 2.119 20 0 BEADLP c1csc(CC[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257737230 634486365 /nfs/dbraw/zinc/48/63/65/634486365.db2.gz YHDCADQCAKIEJD-ZDUSSCGKSA-N 2 2 236.384 2.119 20 0 BEADLP Cc1cncc(C[N@@H+](C)C2(C[NH3+])CCCCC2)c1 ZINC000228678909 635461955 /nfs/dbraw/zinc/46/19/55/635461955.db2.gz NROTXZDJKFODGE-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1cncc(C[N@H+](C)C2(C[NH3+])CCCCC2)c1 ZINC000228678909 635461960 /nfs/dbraw/zinc/46/19/60/635461960.db2.gz NROTXZDJKFODGE-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\Cl)CC[N@@H+]1C ZINC000255341199 631303061 /nfs/dbraw/zinc/30/30/61/631303061.db2.gz MPBGZMLXLDAIIC-FPNIURKZSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)C/C=C\Cl)CC[N@H+]1C ZINC000255341199 631303065 /nfs/dbraw/zinc/30/30/65/631303065.db2.gz MPBGZMLXLDAIIC-FPNIURKZSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\Cl)CC[NH+]1C ZINC000255341199 631303068 /nfs/dbraw/zinc/30/30/68/631303068.db2.gz MPBGZMLXLDAIIC-FPNIURKZSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\Cl)CC[NH+]1C ZINC000255341199 631303073 /nfs/dbraw/zinc/30/30/73/631303073.db2.gz MPBGZMLXLDAIIC-FPNIURKZSA-N 2 2 216.756 2.153 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCSC(F)(F)F ZINC000308629317 631345501 /nfs/dbraw/zinc/34/55/01/631345501.db2.gz AJBABVJKWDDJDK-UHFFFAOYSA-N 2 2 244.326 2.169 20 0 BEADLP CSC(C)(C)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000308607693 631444159 /nfs/dbraw/zinc/44/41/59/631444159.db2.gz IREDKAYYAGXZFP-UHFFFAOYSA-N 2 2 232.437 2.448 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000308828075 631675246 /nfs/dbraw/zinc/67/52/46/631675246.db2.gz SPOUIAHHRSKTSE-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000308828073 631676254 /nfs/dbraw/zinc/67/62/54/631676254.db2.gz SPOUIAHHRSKTSE-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000309034090 631807380 /nfs/dbraw/zinc/80/73/80/631807380.db2.gz DURUOWBOHLHANI-NXEZZACHSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000309034090 631807384 /nfs/dbraw/zinc/80/73/84/631807384.db2.gz DURUOWBOHLHANI-NXEZZACHSA-N 2 2 210.296 2.166 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000309174658 631923542 /nfs/dbraw/zinc/92/35/42/631923542.db2.gz MGKXXRXMXVOYAD-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000309174658 631923547 /nfs/dbraw/zinc/92/35/47/631923547.db2.gz MGKXXRXMXVOYAD-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cnc(Cl)s1 ZINC000309239657 631974601 /nfs/dbraw/zinc/97/46/01/631974601.db2.gz AFCXTKGZQGPKIZ-SNVBAGLBSA-N 2 2 247.795 2.260 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)[N@H+](C)C1CC1 ZINC000924967132 635814042 /nfs/dbraw/zinc/81/40/42/635814042.db2.gz JZOADFKINAPJRM-COMQUAJESA-N 2 2 234.387 2.413 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)[N@@H+](C)C1CC1 ZINC000924967132 635814044 /nfs/dbraw/zinc/81/40/44/635814044.db2.gz JZOADFKINAPJRM-COMQUAJESA-N 2 2 234.387 2.413 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)CCSc1ccccc1 ZINC000309033598 632618515 /nfs/dbraw/zinc/61/85/15/632618515.db2.gz DIMAICQYZRWMMV-LLVKDONJSA-N 2 2 224.373 2.058 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)CCSc1ccccc1 ZINC000309033598 632618521 /nfs/dbraw/zinc/61/85/21/632618521.db2.gz DIMAICQYZRWMMV-LLVKDONJSA-N 2 2 224.373 2.058 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924558324 632842778 /nfs/dbraw/zinc/84/27/78/632842778.db2.gz AFHONUJHSWSTGP-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924558324 632842781 /nfs/dbraw/zinc/84/27/81/632842781.db2.gz AFHONUJHSWSTGP-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC[NH+]1CCCC1 ZINC000924561587 632861492 /nfs/dbraw/zinc/86/14/92/632861492.db2.gz MSIWCRAVWJFGKD-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000309801785 633755334 /nfs/dbraw/zinc/75/53/34/633755334.db2.gz RGTZJSJBEFCFPT-VXGBXAGGSA-N 2 2 219.332 2.272 20 0 BEADLP Cc1ccc(OCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925509686 633847609 /nfs/dbraw/zinc/84/76/09/633847609.db2.gz OFQVIBFMMIWRGE-HIFRSBDPSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000309797735 634008511 /nfs/dbraw/zinc/00/85/11/634008511.db2.gz QOYRSNJZPLWWCF-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000309797735 634008513 /nfs/dbraw/zinc/00/85/13/634008513.db2.gz QOYRSNJZPLWWCF-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925602991 634130873 /nfs/dbraw/zinc/13/08/73/634130873.db2.gz YQRMDPVLMZOKLS-CQSZACIVSA-N 2 2 242.407 2.025 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2ccoc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925613490 634154360 /nfs/dbraw/zinc/15/43/60/634154360.db2.gz RTROMVCAVYQTEX-FRRDWIJNSA-N 2 2 234.343 2.146 20 0 BEADLP CC[N@H+](CC[NH2+]C1CCCCC1)C1CC1 ZINC000053341759 634167818 /nfs/dbraw/zinc/16/78/18/634167818.db2.gz XJERBWXWWFXGGC-UHFFFAOYSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CCCCC1)C1CC1 ZINC000053341759 634167823 /nfs/dbraw/zinc/16/78/23/634167823.db2.gz XJERBWXWWFXGGC-UHFFFAOYSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@H](CC[NH2+][C@H]1C[NH2+]CCOC1)CC(C)(C)C ZINC000925645140 634198553 /nfs/dbraw/zinc/19/85/53/634198553.db2.gz NYFUPNACURNKLE-OLZOCXBDSA-N 2 2 242.407 2.027 20 0 BEADLP CC(C)OCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925648296 634203129 /nfs/dbraw/zinc/20/31/29/634203129.db2.gz SNXFPHYUBUVGRC-TZMCWYRMSA-N 2 2 236.359 2.090 20 0 BEADLP CCCSC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000893345891 634238936 /nfs/dbraw/zinc/23/89/36/634238936.db2.gz ZIKAAZMSGYXORF-GHMZBOCLSA-N 2 2 218.410 2.058 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000067500690 636270668 /nfs/dbraw/zinc/27/06/68/636270668.db2.gz ZPSQREPNSNTPCT-LLVKDONJSA-N 2 2 233.315 2.210 20 0 BEADLP C[C@H](C[NH2+]Cc1cccc(F)c1)Cn1cc[nH+]c1 ZINC000067500781 636271600 /nfs/dbraw/zinc/27/16/00/636271600.db2.gz NXENEDMEXOXKFR-GFCCVEGCSA-N 2 2 247.317 2.448 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C(C)C ZINC000053345040 636703206 /nfs/dbraw/zinc/70/32/06/636703206.db2.gz HASLCDFFGCCOOF-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C(C)C ZINC000053345040 636703211 /nfs/dbraw/zinc/70/32/11/636703211.db2.gz HASLCDFFGCCOOF-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000041029929 636953242 /nfs/dbraw/zinc/95/32/42/636953242.db2.gz AJVDSRFEVNMLMB-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000041029929 636953246 /nfs/dbraw/zinc/95/32/46/636953246.db2.gz AJVDSRFEVNMLMB-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP COCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924685676 636992468 /nfs/dbraw/zinc/99/24/68/636992468.db2.gz QRLQZSKXZQBIOC-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924685676 636992469 /nfs/dbraw/zinc/99/24/69/636992469.db2.gz QRLQZSKXZQBIOC-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924745534 637067774 /nfs/dbraw/zinc/06/77/74/637067774.db2.gz CYIGNUGHBSNPJC-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924745534 637067781 /nfs/dbraw/zinc/06/77/81/637067781.db2.gz CYIGNUGHBSNPJC-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903463714 637365315 /nfs/dbraw/zinc/36/53/15/637365315.db2.gz JVJLHCAIAXLDMY-DKNRTOFZSA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903463714 637365321 /nfs/dbraw/zinc/36/53/21/637365321.db2.gz JVJLHCAIAXLDMY-DKNRTOFZSA-N 2 2 222.376 2.236 20 0 BEADLP CC1(C)C[N@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1[NH3+] ZINC000903559660 637367182 /nfs/dbraw/zinc/36/71/82/637367182.db2.gz BMDDRMCTVFDJEQ-MNOVXSKESA-N 2 2 246.345 2.481 20 0 BEADLP CC1(C)C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@@H]1[NH3+] ZINC000903559660 637367190 /nfs/dbraw/zinc/36/71/90/637367190.db2.gz BMDDRMCTVFDJEQ-MNOVXSKESA-N 2 2 246.345 2.481 20 0 BEADLP CC1(C)C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1[NH3+] ZINC000903559908 637368008 /nfs/dbraw/zinc/36/80/08/637368008.db2.gz MNOQGUZLALMBNC-CQSZACIVSA-N 2 2 243.354 2.337 20 0 BEADLP CC1(C)C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1[NH3+] ZINC000903559908 637368013 /nfs/dbraw/zinc/36/80/13/637368013.db2.gz MNOQGUZLALMBNC-CQSZACIVSA-N 2 2 243.354 2.337 20 0 BEADLP CC1(C)C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1[NH3+] ZINC000903559661 637368999 /nfs/dbraw/zinc/36/89/99/637368999.db2.gz BMDDRMCTVFDJEQ-QWRGUYRKSA-N 2 2 246.345 2.481 20 0 BEADLP CC1(C)C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@@H]1[NH3+] ZINC000903559661 637369006 /nfs/dbraw/zinc/36/90/06/637369006.db2.gz BMDDRMCTVFDJEQ-QWRGUYRKSA-N 2 2 246.345 2.481 20 0 BEADLP CC1(C)C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000903559659 637369101 /nfs/dbraw/zinc/36/91/01/637369101.db2.gz BMDDRMCTVFDJEQ-GHMZBOCLSA-N 2 2 246.345 2.481 20 0 BEADLP CC1(C)C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000903559659 637369106 /nfs/dbraw/zinc/36/91/06/637369106.db2.gz BMDDRMCTVFDJEQ-GHMZBOCLSA-N 2 2 246.345 2.481 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccs1 ZINC000904462579 637405936 /nfs/dbraw/zinc/40/59/36/637405936.db2.gz WQGTUDNZQJNYJD-ZIAGYGMSSA-N 2 2 244.363 2.462 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000904460785 637420938 /nfs/dbraw/zinc/42/09/38/637420938.db2.gz AGRPVWHHQQTSQZ-OAHLLOKOSA-N 2 2 244.382 2.263 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccccc3CF)C[C@H]21 ZINC000931278180 640129952 /nfs/dbraw/zinc/12/99/52/640129952.db2.gz WPJCMTVACKPHTO-FICVDOATSA-N 2 2 248.345 2.148 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3CF)C[C@H]21 ZINC000931278180 640129954 /nfs/dbraw/zinc/12/99/54/640129954.db2.gz WPJCMTVACKPHTO-FICVDOATSA-N 2 2 248.345 2.148 20 0 BEADLP Nc1cc[nH+]c2c1C[N@H+](CC1=CCCC1)CC2 ZINC000931516445 640247281 /nfs/dbraw/zinc/24/72/81/640247281.db2.gz TZKJJKYWPICEIT-UHFFFAOYSA-N 2 2 229.327 2.132 20 0 BEADLP Nc1cc[nH+]c2c1C[N@@H+](CC1=CCCC1)CC2 ZINC000931516445 640247284 /nfs/dbraw/zinc/24/72/84/640247284.db2.gz TZKJJKYWPICEIT-UHFFFAOYSA-N 2 2 229.327 2.132 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931623289 640293963 /nfs/dbraw/zinc/29/39/63/640293963.db2.gz YQJSRFMEDYGPOE-XJFOESAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931623289 640293965 /nfs/dbraw/zinc/29/39/65/640293965.db2.gz YQJSRFMEDYGPOE-XJFOESAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000931623289 640293969 /nfs/dbraw/zinc/29/39/69/640293969.db2.gz YQJSRFMEDYGPOE-XJFOESAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000931623289 640293973 /nfs/dbraw/zinc/29/39/73/640293973.db2.gz YQJSRFMEDYGPOE-XJFOESAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719254 640334674 /nfs/dbraw/zinc/33/46/74/640334674.db2.gz IMQNBZKTYFBQIS-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719254 640334678 /nfs/dbraw/zinc/33/46/78/640334678.db2.gz IMQNBZKTYFBQIS-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719254 640334680 /nfs/dbraw/zinc/33/46/80/640334680.db2.gz IMQNBZKTYFBQIS-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719254 640334684 /nfs/dbraw/zinc/33/46/84/640334684.db2.gz IMQNBZKTYFBQIS-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557625 640436619 /nfs/dbraw/zinc/43/66/19/640436619.db2.gz OIDZOSOIFMQQQE-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(OCC[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557625 640436625 /nfs/dbraw/zinc/43/66/25/640436625.db2.gz OIDZOSOIFMQQQE-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933738300 640756304 /nfs/dbraw/zinc/75/63/04/640756304.db2.gz XLAMOCPAMHWIHS-KCQAQPDRSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933738300 640756311 /nfs/dbraw/zinc/75/63/11/640756311.db2.gz XLAMOCPAMHWIHS-KCQAQPDRSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccccn1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738300 640756313 /nfs/dbraw/zinc/75/63/13/640756313.db2.gz XLAMOCPAMHWIHS-KCQAQPDRSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccccn1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933738300 640756317 /nfs/dbraw/zinc/75/63/17/640756317.db2.gz XLAMOCPAMHWIHS-KCQAQPDRSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+]CC[NH+]1CCCCC1 ZINC000934233340 641109458 /nfs/dbraw/zinc/10/94/58/641109458.db2.gz ITQLDCYRZDXZPY-CQSZACIVSA-N 2 2 247.386 2.088 20 0 BEADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000070733499 643066957 /nfs/dbraw/zinc/06/69/57/643066957.db2.gz VRSMBBULRVIEKV-PWSUYJOCSA-N 2 2 239.388 2.183 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCCC1 ZINC000035259029 643103766 /nfs/dbraw/zinc/10/37/66/643103766.db2.gz QWKLNNDJLMJPDZ-LBPRGKRZSA-N 2 2 210.365 2.393 20 0 BEADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)co1 ZINC000093598070 643338047 /nfs/dbraw/zinc/33/80/47/643338047.db2.gz ZHCBUNQFXPBGGM-CYBMUJFWSA-N 2 2 234.343 2.197 20 0 BEADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)co1 ZINC000093598070 643338050 /nfs/dbraw/zinc/33/80/50/643338050.db2.gz ZHCBUNQFXPBGGM-CYBMUJFWSA-N 2 2 234.343 2.197 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000922191514 643898315 /nfs/dbraw/zinc/89/83/15/643898315.db2.gz WBWUZSTZYZAZRL-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP FCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533622 644489978 /nfs/dbraw/zinc/48/99/78/644489978.db2.gz MAJXDVWMBZAWCM-CYBMUJFWSA-N 2 2 228.355 2.344 20 0 BEADLP FCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923533622 644489983 /nfs/dbraw/zinc/48/99/83/644489983.db2.gz MAJXDVWMBZAWCM-CYBMUJFWSA-N 2 2 228.355 2.344 20 0 BEADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000251520634 644807927 /nfs/dbraw/zinc/80/79/27/644807927.db2.gz KVZJMPCJOSLXMR-GXTWGEPZSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000251520634 644807932 /nfs/dbraw/zinc/80/79/32/644807932.db2.gz KVZJMPCJOSLXMR-GXTWGEPZSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)C(C)(C)C ZINC000252949241 644927215 /nfs/dbraw/zinc/92/72/15/644927215.db2.gz BWDOSJCDSRFAMS-YNEHKIRRSA-N 2 2 242.407 2.025 20 0 BEADLP C1=C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926690225 645360385 /nfs/dbraw/zinc/36/03/85/645360385.db2.gz OKULNRZKUIFTBN-BFHYXJOUSA-N 2 2 220.360 2.312 20 0 BEADLP C1=C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926690225 645360390 /nfs/dbraw/zinc/36/03/90/645360390.db2.gz OKULNRZKUIFTBN-BFHYXJOUSA-N 2 2 220.360 2.312 20 0 BEADLP CC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925487070 645457829 /nfs/dbraw/zinc/45/78/29/645457829.db2.gz BJDZCFAWFUAANM-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925487070 645457836 /nfs/dbraw/zinc/45/78/36/645457836.db2.gz BJDZCFAWFUAANM-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925487068 645457938 /nfs/dbraw/zinc/45/79/38/645457938.db2.gz BJDZCFAWFUAANM-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925487068 645457944 /nfs/dbraw/zinc/45/79/44/645457944.db2.gz BJDZCFAWFUAANM-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883093392 645849091 /nfs/dbraw/zinc/84/90/91/645849091.db2.gz UBZIMFIDFOOMRR-RQJABVFESA-N 2 2 245.370 2.366 20 0 BEADLP CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924531188 646050367 /nfs/dbraw/zinc/05/03/67/646050367.db2.gz JVHOREGZSSULCN-CHWSQXEVSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924531188 646050374 /nfs/dbraw/zinc/05/03/74/646050374.db2.gz JVHOREGZSSULCN-CHWSQXEVSA-N 2 2 210.365 2.393 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000924532785 646052898 /nfs/dbraw/zinc/05/28/98/646052898.db2.gz FVKHZCKCGXJVDH-BFHYXJOUSA-N 2 2 231.343 2.218 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924540163 646059584 /nfs/dbraw/zinc/05/95/84/646059584.db2.gz CGTUNXBXXPIMDX-BFHYXJOUSA-N 2 2 222.376 2.273 20 0 BEADLP CSC1CC([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000924671077 646088791 /nfs/dbraw/zinc/08/87/91/646088791.db2.gz IVKHKILYRPOJFQ-PNESKVBLSA-N 2 2 242.432 2.344 20 0 BEADLP CSC1CC([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000924671077 646088793 /nfs/dbraw/zinc/08/87/93/646088793.db2.gz IVKHKILYRPOJFQ-PNESKVBLSA-N 2 2 242.432 2.344 20 0 BEADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000924801903 646110445 /nfs/dbraw/zinc/11/04/45/646110445.db2.gz IGBXPSYARZVXDA-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000924801903 646110448 /nfs/dbraw/zinc/11/04/48/646110448.db2.gz IGBXPSYARZVXDA-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCOC12CCCCC2)[NH+](C)C ZINC000924959834 646144607 /nfs/dbraw/zinc/14/46/07/646144607.db2.gz XBDUWIZTERHZBM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C1=CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000925268831 646225671 /nfs/dbraw/zinc/22/56/71/646225671.db2.gz BTQVKSWQNSMBGL-KBPBESRZSA-N 2 2 220.360 2.312 20 0 BEADLP C1=CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000925268831 646225676 /nfs/dbraw/zinc/22/56/76/646225676.db2.gz BTQVKSWQNSMBGL-KBPBESRZSA-N 2 2 220.360 2.312 20 0 BEADLP CSCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925504886 646306289 /nfs/dbraw/zinc/30/62/89/646306289.db2.gz MKSCSYRMXFHOCT-JQWIXIFHSA-N 2 2 224.373 2.028 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000929825949 646341865 /nfs/dbraw/zinc/34/18/65/646341865.db2.gz NJWNTECNYFITSL-JSGCOSHPSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000929825949 646341869 /nfs/dbraw/zinc/34/18/69/646341869.db2.gz NJWNTECNYFITSL-JSGCOSHPSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000929825950 646342054 /nfs/dbraw/zinc/34/20/54/646342054.db2.gz NJWNTECNYFITSL-OCCSQVGLSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C)[nH+]1 ZINC000929825950 646342056 /nfs/dbraw/zinc/34/20/56/646342056.db2.gz NJWNTECNYFITSL-OCCSQVGLSA-N 2 2 249.358 2.027 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000925577144 646344578 /nfs/dbraw/zinc/34/45/78/646344578.db2.gz OXVBDQGDGGRHQK-FDWMKNOZSA-N 2 2 218.344 2.463 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000925669386 646399892 /nfs/dbraw/zinc/39/98/92/646399892.db2.gz BOHQAYSKRGBZOZ-MRVPVSSYSA-N 2 2 236.281 2.059 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C=CCC1)c1ccccc1 ZINC000925713270 646438830 /nfs/dbraw/zinc/43/88/30/646438830.db2.gz TXHNAMCEPYBQPQ-YUTCNCBUSA-N 2 2 216.328 2.383 20 0 BEADLP C/C=C/C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925720543 646446306 /nfs/dbraw/zinc/44/63/06/646446306.db2.gz YUGPZQYJDSSBEJ-JXSWWZISSA-N 2 2 204.317 2.241 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000925727245 646452198 /nfs/dbraw/zinc/45/21/98/646452198.db2.gz CVVSQXQMLJOUEH-CQSZACIVSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC000925768597 646467896 /nfs/dbraw/zinc/46/78/96/646467896.db2.gz LGRBFHQXRDSYPI-DGCLKSJQSA-N 2 2 219.332 2.251 20 0 BEADLP Cc1cc(N[C@H]2C[C@H]([NH3+])C23CCC3)c[nH+]c1C ZINC000925768569 646468335 /nfs/dbraw/zinc/46/83/35/646468335.db2.gz KRVNQGBDFVQJHC-STQMWFEESA-N 2 2 231.343 2.380 20 0 BEADLP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])c[nH+]c1C ZINC000925768576 646469328 /nfs/dbraw/zinc/46/93/28/646469328.db2.gz KUMCPWRNTDYWOS-NXEZZACHSA-N 2 2 207.321 2.236 20 0 BEADLP Cc1cc(N[C@@H]2C[C@H]([NH3+])C23CCC3)c[nH+]c1C ZINC000925768568 646469414 /nfs/dbraw/zinc/46/94/14/646469414.db2.gz KRVNQGBDFVQJHC-QWHCGFSZSA-N 2 2 231.343 2.380 20 0 BEADLP Cc1cc(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c[nH+]c1C ZINC000925771348 646471293 /nfs/dbraw/zinc/47/12/93/646471293.db2.gz ZUIYZUNNJXSKSG-WPTOEGHWSA-N 2 2 243.354 2.107 20 0 BEADLP Cc1cc(N[C@@H]2CC[NH2+]C23CCC3)c[nH+]c1C ZINC000925771351 646471388 /nfs/dbraw/zinc/47/13/88/646471388.db2.gz ZUTOJTGPUBDYHL-CYBMUJFWSA-N 2 2 231.343 2.395 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)C2 ZINC000925782060 646479588 /nfs/dbraw/zinc/47/95/88/646479588.db2.gz CNWAUANGJCTYHB-OJDYBEQGSA-N 2 2 244.382 2.426 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000925784235 646480827 /nfs/dbraw/zinc/48/08/27/646480827.db2.gz QSODBFIRCJVNLY-RBDSIQFVSA-N 2 2 230.355 2.117 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925785180 646481268 /nfs/dbraw/zinc/48/12/68/646481268.db2.gz JWFBXALAGAGFEI-KWCYVHTRSA-N 2 2 218.344 2.335 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925785617 646481560 /nfs/dbraw/zinc/48/15/60/646481560.db2.gz LQPYSSIHHOTBLQ-KCPJHIHWSA-N 2 2 230.355 2.180 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000925784567 646481670 /nfs/dbraw/zinc/48/16/70/646481670.db2.gz HJQNAGRMWDDHRC-BFQNTYOBSA-N 2 2 244.382 2.434 20 0 BEADLP CC(C)OCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926155407 646586193 /nfs/dbraw/zinc/58/61/93/646586193.db2.gz NPAVTXKRSQSMDV-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926155407 646586194 /nfs/dbraw/zinc/58/61/94/646586194.db2.gz NPAVTXKRSQSMDV-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC3CCC1CC3)CC2 ZINC000926223072 646597028 /nfs/dbraw/zinc/59/70/28/646597028.db2.gz AZTOGGUWQIUELE-CLRIEMFWSA-N 2 2 245.370 2.366 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC3CCC1CC3)CC2 ZINC000926223073 646597881 /nfs/dbraw/zinc/59/78/81/646597881.db2.gz AZTOGGUWQIUELE-HOAMVYINSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230055 646599623 /nfs/dbraw/zinc/59/96/23/646599623.db2.gz QPUMVKSPXLNJNL-KZVDOYCCSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccns1 ZINC000926230544 646599818 /nfs/dbraw/zinc/59/98/18/646599818.db2.gz VCEPNKQNFCGGPY-ZJUUUORDSA-N 2 2 248.355 2.005 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1C[C@H]3C=C[C@@H]1CC3)CC2 ZINC000926230303 646600044 /nfs/dbraw/zinc/60/00/44/646600044.db2.gz RZDJJAISYVKEHU-CRWXNKLISA-N 2 2 243.354 2.142 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)CC2 ZINC000926230308 646600800 /nfs/dbraw/zinc/60/08/00/646600800.db2.gz RZDJJAISYVKEHU-RFQIPJPRSA-N 2 2 243.354 2.142 20 0 BEADLP FC1(F)CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926284170 646611699 /nfs/dbraw/zinc/61/16/99/646611699.db2.gz TXHSKZVHKBGRPK-RYUDHWBXSA-N 2 2 244.329 2.391 20 0 BEADLP FC1(F)CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926284170 646611703 /nfs/dbraw/zinc/61/17/03/646611703.db2.gz TXHSKZVHKBGRPK-RYUDHWBXSA-N 2 2 244.329 2.391 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC3CCC1CC3)C2 ZINC000926451085 646641733 /nfs/dbraw/zinc/64/17/33/646641733.db2.gz VUODOMIYDIWTNI-UAKHECDHSA-N 2 2 245.370 2.435 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccns1 ZINC000926451161 646641742 /nfs/dbraw/zinc/64/17/42/646641742.db2.gz WPBOFRKQLDPJQW-IUCAKERBSA-N 2 2 248.355 2.074 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC3CCC1CC3)C2 ZINC000926451082 646641753 /nfs/dbraw/zinc/64/17/53/646641753.db2.gz VUODOMIYDIWTNI-CXHDDBMJSA-N 2 2 245.370 2.435 20 0 BEADLP C[C@H](C[NH2+]C1CC(C(F)F)C1)[N@@H+](C)C1CC1 ZINC000309546499 711637064 /nfs/dbraw/zinc/63/70/64/711637064.db2.gz GYLFMBZADBADMI-XNWIYYODSA-N 2 2 232.318 2.102 20 0 BEADLP CSC1CC([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000706930277 712161402 /nfs/dbraw/zinc/16/14/02/712161402.db2.gz ZMMGLXOYCXUKRY-PNESKVBLSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000390436038 712417314 /nfs/dbraw/zinc/41/73/14/712417314.db2.gz SDWLKFGTJPNAOF-XBFCOCLRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000390436038 712417316 /nfs/dbraw/zinc/41/73/16/712417316.db2.gz SDWLKFGTJPNAOF-XBFCOCLRSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+](C[C@@H]1CCC(C)(C)CO1)C1(C[NH3+])CCC1 ZINC000713584412 712466262 /nfs/dbraw/zinc/46/62/62/712466262.db2.gz FODHBPOHDOEDNM-LBPRGKRZSA-N 2 2 240.391 2.005 20 0 BEADLP C[N@@H+](C[C@@H]1CCC(C)(C)CO1)C1(C[NH3+])CCC1 ZINC000713584412 712466263 /nfs/dbraw/zinc/46/62/63/712466263.db2.gz FODHBPOHDOEDNM-LBPRGKRZSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000720745424 712863347 /nfs/dbraw/zinc/86/33/47/712863347.db2.gz BFWPBYWYUONENH-LLVKDONJSA-N 2 2 224.373 2.226 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000720745424 712863349 /nfs/dbraw/zinc/86/33/49/712863349.db2.gz BFWPBYWYUONENH-LLVKDONJSA-N 2 2 224.373 2.226 20 0 BEADLP CO[C@H](C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250422 711055634 /nfs/dbraw/zinc/05/56/34/711055634.db2.gz KHXCSVBFQBDBRQ-KGLIPLIRSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@H](C[N@H+]1C[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250422 711055639 /nfs/dbraw/zinc/05/56/39/711055639.db2.gz KHXCSVBFQBDBRQ-KGLIPLIRSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388049719 711051765 /nfs/dbraw/zinc/05/17/65/711051765.db2.gz KLEYIOLXFFBCFL-CYBMUJFWSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1ccccc1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000388049719 711051766 /nfs/dbraw/zinc/05/17/66/711051766.db2.gz KLEYIOLXFFBCFL-CYBMUJFWSA-N 2 2 218.344 2.164 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000389941444 711100279 /nfs/dbraw/zinc/10/02/79/711100279.db2.gz OSCQCEPTQFTVCM-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000389941444 711100281 /nfs/dbraw/zinc/10/02/81/711100281.db2.gz OSCQCEPTQFTVCM-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000390436036 711116575 /nfs/dbraw/zinc/11/65/75/711116575.db2.gz SDWLKFGTJPNAOF-KWCYVHTRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000390436036 711116578 /nfs/dbraw/zinc/11/65/78/711116578.db2.gz SDWLKFGTJPNAOF-KWCYVHTRSA-N 2 2 222.376 2.249 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000395380225 711210597 /nfs/dbraw/zinc/21/05/97/711210597.db2.gz CCFOVXWOMMXCCF-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396583509 711356945 /nfs/dbraw/zinc/35/69/45/711356945.db2.gz QEFJEFWQOLOZHN-CMPLNLGQSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000396630480 711361753 /nfs/dbraw/zinc/36/17/53/711361753.db2.gz XKVCVQHBJSXQJF-OCCSQVGLSA-N 2 2 240.391 2.066 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000903107379 710892190 /nfs/dbraw/zinc/89/21/90/710892190.db2.gz SOIFRERPIHHPDC-QWHCGFSZSA-N 2 2 249.358 2.041 20 0 BEADLP CC(C)CSCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000397479572 711384000 /nfs/dbraw/zinc/38/40/00/711384000.db2.gz LFKMJQNDBZSPNJ-NEPJUHHUSA-N 2 2 230.421 2.106 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000386188602 711496742 /nfs/dbraw/zinc/49/67/42/711496742.db2.gz BKESIJXIILLXPT-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000386188602 711496748 /nfs/dbraw/zinc/49/67/48/711496748.db2.gz BKESIJXIILLXPT-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000386189256 711496906 /nfs/dbraw/zinc/49/69/06/711496906.db2.gz BKESIJXIILLXPT-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000386189256 711496907 /nfs/dbraw/zinc/49/69/07/711496907.db2.gz BKESIJXIILLXPT-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](CC)CC)[C@H]1CCCOC1 ZINC000723993342 711552022 /nfs/dbraw/zinc/55/20/22/711552022.db2.gz MBTYXEFACNDZCT-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1[nH]c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000724678126 711607866 /nfs/dbraw/zinc/60/78/66/711607866.db2.gz STDZWSZKJFOEOU-WOPDTQHZSA-N 2 2 219.332 2.305 20 0 BEADLP CCOC[C@@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)C(C)C ZINC000724778162 711612873 /nfs/dbraw/zinc/61/28/73/711612873.db2.gz BCDTXWADCGSVTI-CYBMUJFWSA-N 2 2 239.363 2.177 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257682172 711726723 /nfs/dbraw/zinc/72/67/23/711726723.db2.gz LIVUQNFTNVCWII-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000257682172 711726725 /nfs/dbraw/zinc/72/67/25/711726725.db2.gz LIVUQNFTNVCWII-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257682173 711726790 /nfs/dbraw/zinc/72/67/90/711726790.db2.gz LIVUQNFTNVCWII-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000257682173 711726791 /nfs/dbraw/zinc/72/67/91/711726791.db2.gz LIVUQNFTNVCWII-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP C[N@H+](Cc1ccc2c(c1)CCCO2)CC(C)(C)[NH3+] ZINC000258967232 711745816 /nfs/dbraw/zinc/74/58/16/711745816.db2.gz YOBIKBCJALIKSV-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP C[N@@H+](Cc1ccc2c(c1)CCCO2)CC(C)(C)[NH3+] ZINC000258967232 711745817 /nfs/dbraw/zinc/74/58/17/711745817.db2.gz YOBIKBCJALIKSV-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000053158115 711793329 /nfs/dbraw/zinc/79/33/29/711793329.db2.gz GDRGBEFXKGAJLK-JTQLQIEISA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000053158115 711793330 /nfs/dbraw/zinc/79/33/30/711793330.db2.gz GDRGBEFXKGAJLK-JTQLQIEISA-N 2 2 242.725 2.260 20 0 BEADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc[nH]c1 ZINC000080773779 711896403 /nfs/dbraw/zinc/89/64/03/711896403.db2.gz GULYKISCUACAGO-ZDUSSCGKSA-N 2 2 246.358 2.416 20 0 BEADLP CSC1CC([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000706920391 712160976 /nfs/dbraw/zinc/16/09/76/712160976.db2.gz WIFQGFOQNNHPKG-UHFFFAOYSA-N 2 2 242.432 2.202 20 0 BEADLP CSC1CC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000706931823 712161931 /nfs/dbraw/zinc/16/19/31/712161931.db2.gz UBUKGMQJPBJFDX-VOMCLLRMSA-N 2 2 242.432 2.343 20 0 BEADLP CSC1CC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000706931823 712161933 /nfs/dbraw/zinc/16/19/33/712161933.db2.gz UBUKGMQJPBJFDX-VOMCLLRMSA-N 2 2 242.432 2.343 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754970 712217689 /nfs/dbraw/zinc/21/76/89/712217689.db2.gz MAXMEFIJSOIVCX-SECBINFHSA-N 2 2 239.388 2.006 20 0 BEADLP CC[C@@H](C)C[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754970 712217690 /nfs/dbraw/zinc/21/76/90/712217690.db2.gz MAXMEFIJSOIVCX-SECBINFHSA-N 2 2 239.388 2.006 20 0 BEADLP c1cn(CC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)c[nH+]1 ZINC000711091387 712279506 /nfs/dbraw/zinc/27/95/06/712279506.db2.gz TZSTVPFVNFIWKU-ITGUQSILSA-N 2 2 219.332 2.051 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711165416 712287519 /nfs/dbraw/zinc/28/75/19/712287519.db2.gz CJRQTUDQZHVQKL-FQUUOJAGSA-N 2 2 233.359 2.440 20 0 BEADLP COC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000711857484 712335965 /nfs/dbraw/zinc/33/59/65/712335965.db2.gz ZDBWRZOEJKVCOB-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP COC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000711857484 712335966 /nfs/dbraw/zinc/33/59/66/712335966.db2.gz ZDBWRZOEJKVCOB-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378877496 712366820 /nfs/dbraw/zinc/36/68/20/712366820.db2.gz BWTSIYOBNFQYKI-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378922785 712368104 /nfs/dbraw/zinc/36/81/04/712368104.db2.gz QDGFRCIEMGHVEV-NDBYEHHHSA-N 2 2 219.332 2.050 20 0 BEADLP CCCOc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000379774198 712398288 /nfs/dbraw/zinc/39/82/88/712398288.db2.gz SSBXDIYFAPFUQZ-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000379774198 712398290 /nfs/dbraw/zinc/39/82/90/712398290.db2.gz SSBXDIYFAPFUQZ-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP CC1(C)C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000714778457 712498116 /nfs/dbraw/zinc/49/81/16/712498116.db2.gz JQNPLRMFDQPWAQ-AGIUHOORSA-N 2 2 222.376 2.092 20 0 BEADLP CC1(C)C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1[NH3+] ZINC000714778457 712498119 /nfs/dbraw/zinc/49/81/19/712498119.db2.gz JQNPLRMFDQPWAQ-AGIUHOORSA-N 2 2 222.376 2.092 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCCS2)n1C ZINC000715680857 712530360 /nfs/dbraw/zinc/53/03/60/712530360.db2.gz TZBJNSNPUMETJK-LBPRGKRZSA-N 2 2 239.388 2.104 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CC1 ZINC000037154062 712549722 /nfs/dbraw/zinc/54/97/22/712549722.db2.gz VKXLRCBKSWRGTA-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCSCC1 ZINC000037167318 712550160 /nfs/dbraw/zinc/55/01/60/712550160.db2.gz LMTWGEUFNHRJOC-CYBMUJFWSA-N 2 2 244.448 2.448 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000718034222 712736202 /nfs/dbraw/zinc/73/62/02/712736202.db2.gz APYAKCVRRIBLOC-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000718034222 712736204 /nfs/dbraw/zinc/73/62/04/712736204.db2.gz APYAKCVRRIBLOC-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP CSc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712610 712744730 /nfs/dbraw/zinc/74/47/30/712744730.db2.gz XSKGXAONORKXAR-VIFPVBQESA-N 2 2 210.346 2.018 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028786 712800145 /nfs/dbraw/zinc/80/01/45/712800145.db2.gz WJMIWBFUNKEOOL-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP c1ccc(CCC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000720918728 712878309 /nfs/dbraw/zinc/87/83/09/712878309.db2.gz JMBIJBFQLUECHN-HZPDHXFCSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000720918728 712878312 /nfs/dbraw/zinc/87/83/12/712878312.db2.gz JMBIJBFQLUECHN-HZPDHXFCSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720916135 712878424 /nfs/dbraw/zinc/87/84/24/712878424.db2.gz XZFPXNFHIFMMTO-GJZGRUSLSA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720916135 712878425 /nfs/dbraw/zinc/87/84/25/712878425.db2.gz XZFPXNFHIFMMTO-GJZGRUSLSA-N 2 2 230.355 2.055 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC001164640128 719196423 /nfs/dbraw/zinc/19/64/23/719196423.db2.gz UPCRQFNMJXPARY-RYUDHWBXSA-N 2 2 249.358 2.009 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC001164640128 719196426 /nfs/dbraw/zinc/19/64/26/719196426.db2.gz UPCRQFNMJXPARY-RYUDHWBXSA-N 2 2 249.358 2.009 20 0 BEADLP Cc1cc(C)[nH+]c(N2CC[NH+](CC(C)C)CC2)c1 ZINC001164654091 719328954 /nfs/dbraw/zinc/32/89/54/719328954.db2.gz YXGLIKMUNBNYOF-UHFFFAOYSA-N 2 2 247.386 2.476 20 0 BEADLP CCOc1cc[nH+]c(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001165039581 721890771 /nfs/dbraw/zinc/89/07/71/721890771.db2.gz OEFKPXVXXUWYBV-GFCCVEGCSA-N 2 2 249.358 2.011 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695737732 960410602 /nfs/dbraw/zinc/41/06/02/960410602.db2.gz KPPMZNZBYXIRIS-CYBMUJFWSA-N 2 2 222.376 2.395 20 0 BEADLP Cc1c(F)cc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001158627604 963896616 /nfs/dbraw/zinc/89/66/16/963896616.db2.gz LHHCFOLHBJZBAB-SNVBAGLBSA-N 2 2 223.295 2.083 20 0 BEADLP Cc1cc[nH+]c(NC2C[NH+](C(C)C)C2)c1C ZINC001168313155 964415870 /nfs/dbraw/zinc/41/58/70/964415870.db2.gz KJAZSZMKDSSXQW-UHFFFAOYSA-N 2 2 219.332 2.203 20 0 BEADLP Cc1ccc(C)c(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC001163772104 965576858 /nfs/dbraw/zinc/57/68/58/965576858.db2.gz JCGFGDUSDOHZSW-NSHDSACASA-N 2 2 207.321 2.060 20 0 BEADLP CC(C)CC[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000336758053 1165873828 /nfs/dbraw/zinc/87/38/28/1165873828.db2.gz KJFKKPWDERCVMH-GFCCVEGCSA-N 2 2 230.421 2.059 20 0 BEADLP Cc1c[nH+]cc(N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC001162403102 967828369 /nfs/dbraw/zinc/82/83/69/967828369.db2.gz XYHOWXRPFBQBLX-NWDGAFQWSA-N 2 2 219.332 2.380 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164453545 968516991 /nfs/dbraw/zinc/51/69/91/968516991.db2.gz PPBYPKCYUIOCBT-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@](C)(F)C1 ZINC001207274559 968704736 /nfs/dbraw/zinc/70/47/36/968704736.db2.gz DPNKDLGHVMSJMH-ZDUSSCGKSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@](C)(F)C1 ZINC001207274559 968704738 /nfs/dbraw/zinc/70/47/38/968704738.db2.gz DPNKDLGHVMSJMH-ZDUSSCGKSA-N 2 2 230.371 2.398 20 0 BEADLP [NH3+][C@@H]1CCC[C@H](CNc2cccc[nH+]2)C1 ZINC000227673332 1166260109 /nfs/dbraw/zinc/26/01/09/1166260109.db2.gz MUFJRLRJAPZSRY-WDEREUQCSA-N 2 2 205.305 2.011 20 0 BEADLP CC/C=C\CC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001208733090 969220200 /nfs/dbraw/zinc/22/02/00/969220200.db2.gz IRXLFGKVBNVDIM-MRYXHSKJSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001208733090 969220206 /nfs/dbraw/zinc/22/02/06/969220206.db2.gz IRXLFGKVBNVDIM-MRYXHSKJSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208733105 969216945 /nfs/dbraw/zinc/21/69/45/969216945.db2.gz IRXLFGKVBNVDIM-VSVUCHCSSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208733105 969216950 /nfs/dbraw/zinc/21/69/50/969216950.db2.gz IRXLFGKVBNVDIM-VSVUCHCSSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001208733105 969216958 /nfs/dbraw/zinc/21/69/58/969216958.db2.gz IRXLFGKVBNVDIM-VSVUCHCSSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001208733105 969216966 /nfs/dbraw/zinc/21/69/66/969216966.db2.gz IRXLFGKVBNVDIM-VSVUCHCSSA-N 2 2 222.376 2.369 20 0 BEADLP C[C@H](C[N@H+](C)CCC[NH+](C)C)C(F)(F)F ZINC001208888474 969277106 /nfs/dbraw/zinc/27/71/06/969277106.db2.gz ZVCGIOMFHVMUPM-SECBINFHSA-N 2 2 226.286 2.068 20 0 BEADLP C[C@H](C[N@@H+](C)CCC[NH+](C)C)C(F)(F)F ZINC001208888474 969277114 /nfs/dbraw/zinc/27/71/14/969277114.db2.gz ZVCGIOMFHVMUPM-SECBINFHSA-N 2 2 226.286 2.068 20 0 BEADLP C[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC001208887048 969278033 /nfs/dbraw/zinc/27/80/33/969278033.db2.gz IZCQQXGLGYSQGX-VIFPVBQESA-N 2 2 238.297 2.211 20 0 BEADLP C[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC001208887048 969278045 /nfs/dbraw/zinc/27/80/45/969278045.db2.gz IZCQQXGLGYSQGX-VIFPVBQESA-N 2 2 238.297 2.211 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000253187427 1166408483 /nfs/dbraw/zinc/40/84/83/1166408483.db2.gz JFVZTDGQJHNWCQ-BNOWGMLFSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000253187427 1166408487 /nfs/dbraw/zinc/40/84/87/1166408487.db2.gz JFVZTDGQJHNWCQ-BNOWGMLFSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccnc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000328138823 1166454474 /nfs/dbraw/zinc/45/44/74/1166454474.db2.gz ZNDDMCZXRDWTKJ-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839231 969800525 /nfs/dbraw/zinc/80/05/25/969800525.db2.gz OHMIDKRULPFWPR-GXTWGEPZSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cccnc1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000161785104 1166539414 /nfs/dbraw/zinc/53/94/14/1166539414.db2.gz IUIXXULXKKFWAS-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1cccnc1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000161785104 1166539422 /nfs/dbraw/zinc/53/94/22/1166539422.db2.gz IUIXXULXKKFWAS-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/C1CC1 ZINC000378865516 1166565202 /nfs/dbraw/zinc/56/52/02/1166565202.db2.gz ZNVNVZVNFQOFAZ-XXMQVSLVSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C/C=C/C1CC1 ZINC000378865516 1166565208 /nfs/dbraw/zinc/56/52/08/1166565208.db2.gz ZNVNVZVNFQOFAZ-XXMQVSLVSA-N 2 2 220.360 2.025 20 0 BEADLP c1cn(C2CC[NH+]([C@H]3CCSC3)CC2)c[nH+]1 ZINC001255291726 970052590 /nfs/dbraw/zinc/05/25/90/970052590.db2.gz YHSKWZCBFWDFJJ-LBPRGKRZSA-N 2 2 237.372 2.026 20 0 BEADLP CC(C)[N@H+]([C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC001255292583 970053164 /nfs/dbraw/zinc/05/31/64/970053164.db2.gz BYEJQUZPIBMIRC-ZDUSSCGKSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)[N@@H+]([C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC001255292583 970053168 /nfs/dbraw/zinc/05/31/68/970053168.db2.gz BYEJQUZPIBMIRC-ZDUSSCGKSA-N 2 2 242.432 2.297 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124227 970369750 /nfs/dbraw/zinc/36/97/50/970369750.db2.gz FVPPQXYIYHLJOA-AAEUAGOBSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124227 970369764 /nfs/dbraw/zinc/36/97/64/970369764.db2.gz FVPPQXYIYHLJOA-AAEUAGOBSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001170156329 970482449 /nfs/dbraw/zinc/48/24/49/970482449.db2.gz DARUGFXNDLKZPC-YIYPIFLZSA-N 2 2 222.376 2.201 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCCC2)C1 ZINC000251139908 1166792832 /nfs/dbraw/zinc/79/28/32/1166792832.db2.gz WEFIXFYHTYMQKO-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CS[C@@H](C)CC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000253016998 1166849521 /nfs/dbraw/zinc/84/95/21/1166849521.db2.gz HQCRUJUPRONKJD-STQMWFEESA-N 2 2 242.432 2.298 20 0 BEADLP CS[C@@H](C)CC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000253016998 1166849528 /nfs/dbraw/zinc/84/95/28/1166849528.db2.gz HQCRUJUPRONKJD-STQMWFEESA-N 2 2 242.432 2.298 20 0 BEADLP CS[C@@H](C)CC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000253016998 1166849536 /nfs/dbraw/zinc/84/95/36/1166849536.db2.gz HQCRUJUPRONKJD-STQMWFEESA-N 2 2 242.432 2.298 20 0 BEADLP CS[C@@H](C)CC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000253016998 1166849541 /nfs/dbraw/zinc/84/95/41/1166849541.db2.gz HQCRUJUPRONKJD-STQMWFEESA-N 2 2 242.432 2.298 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000228775736 1166895027 /nfs/dbraw/zinc/89/50/27/1166895027.db2.gz UYDJGTVNWOXLHQ-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@@H](C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC001256207263 970713729 /nfs/dbraw/zinc/71/37/29/970713729.db2.gz FNLVBRDAKALFDE-NWDGAFQWSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256207263 970713744 /nfs/dbraw/zinc/71/37/44/970713744.db2.gz FNLVBRDAKALFDE-NWDGAFQWSA-N 2 2 210.365 2.201 20 0 BEADLP CCSC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001173293109 975169200 /nfs/dbraw/zinc/16/92/00/975169200.db2.gz XCNWSDPLSZEPDA-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CCSC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001173316543 975302548 /nfs/dbraw/zinc/30/25/48/975302548.db2.gz XVHNLQQTTOJDRT-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001173316543 975302553 /nfs/dbraw/zinc/30/25/53/975302553.db2.gz XVHNLQQTTOJDRT-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001173316543 975302563 /nfs/dbraw/zinc/30/25/63/975302563.db2.gz XVHNLQQTTOJDRT-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001173316543 975302567 /nfs/dbraw/zinc/30/25/67/975302567.db2.gz XVHNLQQTTOJDRT-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCCC(C)(C)C2)C1 ZINC000251582308 1167403525 /nfs/dbraw/zinc/40/35/25/1167403525.db2.gz CKTZUJWZXSRVSA-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCCC(C)(C)C2)C1 ZINC000251582308 1167403527 /nfs/dbraw/zinc/40/35/27/1167403527.db2.gz CKTZUJWZXSRVSA-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC000385784778 1167429009 /nfs/dbraw/zinc/42/90/09/1167429009.db2.gz YAZNCMUAJZFFHV-HNNXBMFYSA-N 2 2 248.345 2.497 20 0 BEADLP CC(C)([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000215649313 1167459455 /nfs/dbraw/zinc/45/94/55/1167459455.db2.gz HDTWYUCTOKJHFU-ZDUSSCGKSA-N 2 2 236.334 2.402 20 0 BEADLP C[C@H]([NH2+]C/C=C\C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386029323 1167497104 /nfs/dbraw/zinc/49/71/04/1167497104.db2.gz QJUVXGRHEOCSHH-YBLMTZRHSA-N 2 2 208.349 2.073 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(C)s1 ZINC001235982211 979258570 /nfs/dbraw/zinc/25/85/70/979258570.db2.gz UODQZLPORNJZLS-STQMWFEESA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(C)s1 ZINC001235982211 979258585 /nfs/dbraw/zinc/25/85/85/979258585.db2.gz UODQZLPORNJZLS-STQMWFEESA-N 2 2 236.384 2.288 20 0 BEADLP COC1CCC([NH2+][C@H](C)C[NH+]2CCCC2)CC1 ZINC000130034663 1168838432 /nfs/dbraw/zinc/83/84/32/1168838432.db2.gz ZPDWLKRUUGGGMX-IYXRBSQSSA-N 2 2 240.391 2.018 20 0 BEADLP CCc1[nH]c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC001203247796 1168967721 /nfs/dbraw/zinc/96/77/21/1168967721.db2.gz JLYADSKWVINIOB-PWSUYJOCSA-N 2 2 219.332 2.265 20 0 BEADLP CCc1[nH]c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC001203247796 1168967731 /nfs/dbraw/zinc/96/77/31/1168967731.db2.gz JLYADSKWVINIOB-PWSUYJOCSA-N 2 2 219.332 2.265 20 0 BEADLP CCCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201735522 983470321 /nfs/dbraw/zinc/47/03/21/983470321.db2.gz UNPJCNDOUNVURT-UHFFFAOYSA-N 2 2 242.407 2.219 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]21 ZINC001202114628 983567184 /nfs/dbraw/zinc/56/71/84/983567184.db2.gz BWIUILIIOMWULD-OLZOCXBDSA-N 2 2 224.392 2.449 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C)C[C@@H]21 ZINC001202114628 983567197 /nfs/dbraw/zinc/56/71/97/983567197.db2.gz BWIUILIIOMWULD-OLZOCXBDSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]21 ZINC001202114628 983567211 /nfs/dbraw/zinc/56/72/11/983567211.db2.gz BWIUILIIOMWULD-OLZOCXBDSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]21 ZINC001202114628 983567222 /nfs/dbraw/zinc/56/72/22/983567222.db2.gz BWIUILIIOMWULD-OLZOCXBDSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+](C)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202368627 983639700 /nfs/dbraw/zinc/63/97/00/983639700.db2.gz SEYSXQZABQAVDM-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093693698 1169193759 /nfs/dbraw/zinc/19/37/59/1169193759.db2.gz FMGGPQLYPBNBFP-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093693698 1169193762 /nfs/dbraw/zinc/19/37/62/1169193762.db2.gz FMGGPQLYPBNBFP-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+](C)C[C@H](C)[NH3+] ZINC000380671086 1169236904 /nfs/dbraw/zinc/23/69/04/1169236904.db2.gz BEIBKDPWCGUDSM-WDEREUQCSA-N 2 2 224.323 2.036 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+](C)C[C@H](C)[NH3+] ZINC000380671086 1169236916 /nfs/dbraw/zinc/23/69/16/1169236916.db2.gz BEIBKDPWCGUDSM-WDEREUQCSA-N 2 2 224.323 2.036 20 0 BEADLP CC[C@H](CC(C)C)n1cc[nH+]c1CC[NH3+] ZINC001172388583 974733716 /nfs/dbraw/zinc/73/37/16/974733716.db2.gz FSVBOTXCSDSOHC-LLVKDONJSA-N 2 2 209.337 2.382 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001172445505 974807878 /nfs/dbraw/zinc/80/78/78/974807878.db2.gz QZQHVTJVQVPGIJ-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001172445505 974807881 /nfs/dbraw/zinc/80/78/81/974807881.db2.gz QZQHVTJVQVPGIJ-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCOCC(C)C ZINC001172455706 974818554 /nfs/dbraw/zinc/81/85/54/974818554.db2.gz ALQVEPJLVMLIJU-AWEZNQCLSA-N 2 2 244.423 2.369 20 0 BEADLP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172454731 974819383 /nfs/dbraw/zinc/81/93/83/974819383.db2.gz BSTOZOMZIZDUOQ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172454731 974819386 /nfs/dbraw/zinc/81/93/86/974819386.db2.gz BSTOZOMZIZDUOQ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001172462005 974825608 /nfs/dbraw/zinc/82/56/08/974825608.db2.gz XMHZVLDYFGAECB-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1nc(C)sc1C ZINC001331836504 974832594 /nfs/dbraw/zinc/83/25/94/974832594.db2.gz WQYBQDNJVQMYJH-RKDXNWHRSA-N 2 2 241.404 2.266 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCSCC2)C1 ZINC001246582797 972942038 /nfs/dbraw/zinc/94/20/38/972942038.db2.gz TXJDNKAYCWBVKW-LBPRGKRZSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCSCC2)C1 ZINC001246582797 972942060 /nfs/dbraw/zinc/94/20/60/972942060.db2.gz TXJDNKAYCWBVKW-LBPRGKRZSA-N 2 2 246.395 2.035 20 0 BEADLP Cc1ccc(NC2=C[NH2+]CCC2)c(C)[nH+]1 ZINC001159107210 1169435461 /nfs/dbraw/zinc/43/54/61/1169435461.db2.gz KWJPXVXSEGRSRH-UHFFFAOYSA-N 2 2 203.289 2.335 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256730706 970951601 /nfs/dbraw/zinc/95/16/01/970951601.db2.gz HLMSKIZOZQUPAA-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256730706 970951605 /nfs/dbraw/zinc/95/16/05/970951605.db2.gz HLMSKIZOZQUPAA-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256730718 970951898 /nfs/dbraw/zinc/95/18/98/970951898.db2.gz HLMSKIZOZQUPAA-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256730718 970951907 /nfs/dbraw/zinc/95/19/07/970951907.db2.gz HLMSKIZOZQUPAA-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C(=C/C1CC[NH2+]CC1)\c1ccc2[nH+]ccn2c1 ZINC001243894211 971014579 /nfs/dbraw/zinc/01/45/79/971014579.db2.gz UTBGCQOLQCQOGF-OWOJBTEDSA-N 2 2 227.311 2.347 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH2+]C2CC2)[C@H](CC)CO1 ZINC000404096618 971122075 /nfs/dbraw/zinc/12/20/75/971122075.db2.gz RWKAMOSWCLGDOE-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)[C@H](CC)CO1 ZINC000404096618 971122079 /nfs/dbraw/zinc/12/20/79/971122079.db2.gz RWKAMOSWCLGDOE-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257291383 971177580 /nfs/dbraw/zinc/17/75/80/971177580.db2.gz BICCONKWGYNNRZ-ZDUSSCGKSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257291383 971177584 /nfs/dbraw/zinc/17/75/84/971177584.db2.gz BICCONKWGYNNRZ-ZDUSSCGKSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257317675 971219508 /nfs/dbraw/zinc/21/95/08/971219508.db2.gz SKCMFJRFWKRDOY-JTQLQIEISA-N 2 2 221.348 2.241 20 0 BEADLP CCCC(CCC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001257334192 971239537 /nfs/dbraw/zinc/23/95/37/971239537.db2.gz NGRIMDVEOFSWML-UHFFFAOYSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000405865245 971316422 /nfs/dbraw/zinc/31/64/22/971316422.db2.gz GBJKWTLUDCXPAR-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000405865245 971316425 /nfs/dbraw/zinc/31/64/25/971316425.db2.gz GBJKWTLUDCXPAR-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccsc1)C2 ZINC001204043134 971424711 /nfs/dbraw/zinc/42/47/11/971424711.db2.gz VWDCDGYUIBFVMN-CHWSQXEVSA-N 2 2 236.384 2.132 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccsc1)C2 ZINC001204043134 971424719 /nfs/dbraw/zinc/42/47/19/971424719.db2.gz VWDCDGYUIBFVMN-CHWSQXEVSA-N 2 2 236.384 2.132 20 0 BEADLP Cc1cc(C)c(C[NH+]2CC3(C2)CC[NH2+]C3)c(C)c1 ZINC000724073514 971457307 /nfs/dbraw/zinc/45/73/07/971457307.db2.gz OKGDALHKRXIOCF-UHFFFAOYSA-N 2 2 244.382 2.407 20 0 BEADLP CC(C)C[NH+]1CCC([N@H+](C)CCF)CC1 ZINC001258019593 971559155 /nfs/dbraw/zinc/55/91/55/971559155.db2.gz DNVVSLFCVNQWME-UHFFFAOYSA-N 2 2 216.344 2.008 20 0 BEADLP CC(C)C[NH+]1CCC([N@@H+](C)CCF)CC1 ZINC001258019593 971559167 /nfs/dbraw/zinc/55/91/67/971559167.db2.gz DNVVSLFCVNQWME-UHFFFAOYSA-N 2 2 216.344 2.008 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716380 971635059 /nfs/dbraw/zinc/63/50/59/971635059.db2.gz SQMSWJKCDUJGOP-YIYPIFLZSA-N 2 2 236.403 2.495 20 0 BEADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C[C@@H]21 ZINC001170732300 971675444 /nfs/dbraw/zinc/67/54/44/971675444.db2.gz XXBSGBRUUZQYFU-ZQDZILKHSA-N 2 2 248.414 2.495 20 0 BEADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C[C@@H]21 ZINC001170732300 971675452 /nfs/dbraw/zinc/67/54/52/971675452.db2.gz XXBSGBRUUZQYFU-ZQDZILKHSA-N 2 2 248.414 2.495 20 0 BEADLP Cc1cc(-c2ccc3[nH+]c(N)[nH]c3c2)c[nH+]c1N ZINC001245537939 971851946 /nfs/dbraw/zinc/85/19/46/971851946.db2.gz HWGOJWJOISGERA-UHFFFAOYSA-N 2 2 239.282 2.098 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090357 972142686 /nfs/dbraw/zinc/14/26/86/972142686.db2.gz FCPMSEAPHQIJAC-WOPDTQHZSA-N 2 2 216.344 2.101 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170956089 972149246 /nfs/dbraw/zinc/14/92/46/972149246.db2.gz UHXYERMKOCNOHT-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001170956089 972149250 /nfs/dbraw/zinc/14/92/50/972149250.db2.gz UHXYERMKOCNOHT-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170959407 972162845 /nfs/dbraw/zinc/16/28/45/972162845.db2.gz YLIUIGVTEBSWDP-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170959407 972162851 /nfs/dbraw/zinc/16/28/51/972162851.db2.gz YLIUIGVTEBSWDP-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@H]1C ZINC001246114445 972178997 /nfs/dbraw/zinc/17/89/97/972178997.db2.gz VSOCZIRTRBZEQW-KVSVUVNWSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246115895 972182746 /nfs/dbraw/zinc/18/27/46/972182746.db2.gz SZJMREKMUFLTPA-OPRDCNLKSA-N 2 2 238.297 2.305 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1c[nH]c2cc(F)ccc12 ZINC000705544183 957323652 /nfs/dbraw/zinc/32/36/52/957323652.db2.gz BAOUKCVMBXTLFB-NOZJJQNGSA-N 2 2 247.317 2.229 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1c[nH]c2cc(F)ccc12 ZINC000705544183 957323663 /nfs/dbraw/zinc/32/36/63/957323663.db2.gz BAOUKCVMBXTLFB-NOZJJQNGSA-N 2 2 247.317 2.229 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC000705567611 957338536 /nfs/dbraw/zinc/33/85/36/957338536.db2.gz ACMVZIBJHLSJIZ-CQSZACIVSA-N 2 2 247.317 2.230 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC000705567611 957338540 /nfs/dbraw/zinc/33/85/40/957338540.db2.gz ACMVZIBJHLSJIZ-CQSZACIVSA-N 2 2 247.317 2.230 20 0 BEADLP Cc1cc(N)[nH+]cc1Nc1cccn2cc[nH+]c12 ZINC001209968736 957590554 /nfs/dbraw/zinc/59/05/54/957590554.db2.gz XQDNTYLQSZQVFD-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246330155 972291663 /nfs/dbraw/zinc/29/16/63/972291663.db2.gz VIBAUWQBPMLJGY-BFHYXJOUSA-N 2 2 248.370 2.184 20 0 BEADLP Cc1[nH+]c2c(Nc3c[nH+]cn3C)cccn2c1C ZINC001211249179 958113697 /nfs/dbraw/zinc/11/36/97/958113697.db2.gz ZTDLHRKQYQJSJD-UHFFFAOYSA-N 2 2 241.298 2.428 20 0 BEADLP Cc1c[nH+]cc(Nc2[nH+]ccn2C)c1C ZINC001213522780 958197061 /nfs/dbraw/zinc/19/70/61/958197061.db2.gz GNIPLWIZXZLKHR-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H]([NH3+])CC(F)F)s1 ZINC000693923134 959570893 /nfs/dbraw/zinc/57/08/93/959570893.db2.gz DOJOJPNCHILLNS-SECBINFHSA-N 2 2 248.342 2.471 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(F)F)s1 ZINC000693923134 959570909 /nfs/dbraw/zinc/57/09/09/959570909.db2.gz DOJOJPNCHILLNS-SECBINFHSA-N 2 2 248.342 2.471 20 0 BEADLP Cc1nc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cs1 ZINC000309339609 959852001 /nfs/dbraw/zinc/85/20/01/959852001.db2.gz KJXIKPRQQAHTPS-NSHDSACASA-N 2 2 239.388 2.012 20 0 BEADLP Cc1nc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cs1 ZINC000309339609 959852006 /nfs/dbraw/zinc/85/20/06/959852006.db2.gz KJXIKPRQQAHTPS-NSHDSACASA-N 2 2 239.388 2.012 20 0 BEADLP CC[NH+](CC)c1ccc(C)c(NCC[NH2+]C)c1 ZINC001167725713 960245721 /nfs/dbraw/zinc/24/57/21/960245721.db2.gz HPDNIKZBBSVGJU-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1(Cl)CC1 ZINC000695655405 960331289 /nfs/dbraw/zinc/33/12/89/960331289.db2.gz MIBVZSDEYFCKMJ-TUAOUCFPSA-N 2 2 242.794 2.363 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1(Cl)CC1 ZINC000695655405 960331296 /nfs/dbraw/zinc/33/12/96/960331296.db2.gz MIBVZSDEYFCKMJ-TUAOUCFPSA-N 2 2 242.794 2.363 20 0 BEADLP CC1=CC[C@@H](CC[NH+]2CC3(C[NH2+]C3)C2)C1(C)C ZINC001222461151 972496431 /nfs/dbraw/zinc/49/64/31/972496431.db2.gz NGAJNIJNUDXGMV-ZDUSSCGKSA-N 2 2 234.387 2.274 20 0 BEADLP CC(C)=CCC[C@@H](C)C[NH+]1CC2(C[NH2+]C2)C1 ZINC001222461626 972501907 /nfs/dbraw/zinc/50/19/07/972501907.db2.gz WWADZVLHDQQEFX-CYBMUJFWSA-N 2 2 222.376 2.274 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695775179 960449731 /nfs/dbraw/zinc/44/97/31/960449731.db2.gz YARFZGOPQHEJBW-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695775179 960449745 /nfs/dbraw/zinc/44/97/45/960449745.db2.gz YARFZGOPQHEJBW-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802358 960589815 /nfs/dbraw/zinc/58/98/15/960589815.db2.gz STOGSWBCKSVKPI-SNVBAGLBSA-N 2 2 215.300 2.405 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802358 960589831 /nfs/dbraw/zinc/58/98/31/960589831.db2.gz STOGSWBCKSVKPI-SNVBAGLBSA-N 2 2 215.300 2.405 20 0 BEADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CC2(CSC2)C1 ZINC001140805854 960602847 /nfs/dbraw/zinc/60/28/47/960602847.db2.gz OBTIRSFPGOJNAP-UHFFFAOYSA-N 2 2 245.351 2.112 20 0 BEADLP CC[C@H]1COCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804907 960606709 /nfs/dbraw/zinc/60/67/09/960606709.db2.gz JXGRCRKFDXGIKG-LBPRGKRZSA-N 2 2 245.326 2.174 20 0 BEADLP CC[C@H]1COCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804907 960606723 /nfs/dbraw/zinc/60/67/23/960606723.db2.gz JXGRCRKFDXGIKG-LBPRGKRZSA-N 2 2 245.326 2.174 20 0 BEADLP C[N@H+](Cc1ccno1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805887 960608103 /nfs/dbraw/zinc/60/81/03/960608103.db2.gz PUEJKPRHUGZLGV-UHFFFAOYSA-N 2 2 242.282 2.183 20 0 BEADLP C[N@@H+](Cc1ccno1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805887 960608107 /nfs/dbraw/zinc/60/81/07/960608107.db2.gz PUEJKPRHUGZLGV-UHFFFAOYSA-N 2 2 242.282 2.183 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167894571 961513474 /nfs/dbraw/zinc/51/34/74/961513474.db2.gz OUPRKEFDVRIRPR-BTTYYORXSA-N 2 2 222.376 2.251 20 0 BEADLP Cc1nc(N[C@@H]2CC[NH2+][C@@H]2C)cc(C(C)C)[nH+]1 ZINC000709825897 961673914 /nfs/dbraw/zinc/67/39/14/961673914.db2.gz GSRBNMYZIILTRT-MWLCHTKSSA-N 2 2 234.347 2.071 20 0 BEADLP CCc1ccccc1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709829908 961681577 /nfs/dbraw/zinc/68/15/77/961681577.db2.gz XUSJTIYTQMPTFP-UHFFFAOYSA-N 2 2 244.382 2.434 20 0 BEADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167918193 961899863 /nfs/dbraw/zinc/89/98/63/961899863.db2.gz GWKLOYFNDAKPQT-QKPAOTATSA-N 2 2 242.366 2.171 20 0 BEADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167918193 961899864 /nfs/dbraw/zinc/89/98/64/961899864.db2.gz GWKLOYFNDAKPQT-QKPAOTATSA-N 2 2 242.366 2.171 20 0 BEADLP c1cn2cc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)ccc2[nH+]1 ZINC001167923432 961984385 /nfs/dbraw/zinc/98/43/85/961984385.db2.gz DCRAKIXZOSCWSK-CLLJXQQHSA-N 2 2 227.311 2.222 20 0 BEADLP c1cn(C2CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)c[nH+]1 ZINC001167954094 962756208 /nfs/dbraw/zinc/75/62/08/962756208.db2.gz ZGVRYZBDEDXLLK-IMRBUKKESA-N 2 2 231.343 2.319 20 0 BEADLP CSc1cc[nH+]c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155587928 963116944 /nfs/dbraw/zinc/11/69/44/963116944.db2.gz HIJLKNRUGLCZRO-USWWRNFRSA-N 2 2 249.383 2.213 20 0 BEADLP Cc1nc(N(C)C2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC001156169826 963272387 /nfs/dbraw/zinc/27/23/87/963272387.db2.gz SOJDQRRGTSCWIE-UHFFFAOYSA-N 2 2 248.374 2.097 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(C)c1 ZINC001204770286 963397919 /nfs/dbraw/zinc/39/79/19/963397919.db2.gz CGFVBRRIUFRYNA-HNNXBMFYSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(C)c1 ZINC001204770286 963397931 /nfs/dbraw/zinc/39/79/31/963397931.db2.gz CGFVBRRIUFRYNA-HNNXBMFYSA-N 2 2 248.370 2.317 20 0 BEADLP CC(C)c1ccc(N2CC[C@](F)(C[NH3+])C2)[nH+]c1 ZINC001157813692 963735952 /nfs/dbraw/zinc/73/59/52/963735952.db2.gz UMINSDGOCGZEAX-ZDUSSCGKSA-N 2 2 237.322 2.082 20 0 BEADLP C[C@H]1C[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC001168139441 963842420 /nfs/dbraw/zinc/84/24/20/963842420.db2.gz SRNKHBQTGQMFCL-JSGCOSHPSA-N 2 2 249.358 2.088 20 0 BEADLP CN(C)c1ccc(NC=CC2CC[NH2+]CC2)c[nH+]1 ZINC001159112613 964002245 /nfs/dbraw/zinc/00/22/45/964002245.db2.gz CJXITLQVGJAVED-JXMROGBWSA-N 2 2 246.358 2.073 20 0 BEADLP Nc1ccc(Nc2cccc3c2CC[NH2+]C3)c[nH+]1 ZINC001159282007 964048983 /nfs/dbraw/zinc/04/89/83/964048983.db2.gz LAWDOZBGIPJHNY-UHFFFAOYSA-N 2 2 240.310 2.053 20 0 BEADLP CCN(C)c1ccc(NC2=CCC[NH2+]CC2)c[nH+]1 ZINC001159364342 964068618 /nfs/dbraw/zinc/06/86/18/964068618.db2.gz PJKSPYJQOZSFLK-UHFFFAOYSA-N 2 2 246.358 2.217 20 0 BEADLP Cc1cc[nH+]c(C)c1NC1C[NH+](C(C)C)C1 ZINC001168314138 964419901 /nfs/dbraw/zinc/41/99/01/964419901.db2.gz LMAZZXDUILFFGA-UHFFFAOYSA-N 2 2 219.332 2.203 20 0 BEADLP Cc1cc(NC2C[NH+](C(C)C)C2)c2[nH+]ccn2c1 ZINC001168313977 964420759 /nfs/dbraw/zinc/42/07/59/964420759.db2.gz ICUCSOUFUMUBFF-UHFFFAOYSA-N 2 2 244.342 2.147 20 0 BEADLP Cc1ccoc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697878841 964602533 /nfs/dbraw/zinc/60/25/33/964602533.db2.gz MYBATZXDAVTDLZ-LLVKDONJSA-N 2 2 210.321 2.018 20 0 BEADLP Cc1ccoc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697878842 964603596 /nfs/dbraw/zinc/60/35/96/964603596.db2.gz MYBATZXDAVTDLZ-NSHDSACASA-N 2 2 210.321 2.018 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CCCC2CCCC2)CC12CC2 ZINC001204903917 964619129 /nfs/dbraw/zinc/61/91/29/964619129.db2.gz FNRCLDUDQLHYHK-CYBMUJFWSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CCCC2CCCC2)CC12CC2 ZINC001204903917 964619135 /nfs/dbraw/zinc/61/91/35/964619135.db2.gz FNRCLDUDQLHYHK-CYBMUJFWSA-N 2 2 222.376 2.380 20 0 BEADLP Cc1cc(N[C@H]2C[C@@](C)([NH3+])C2)nc(C(C)C)[nH+]1 ZINC001162328627 964934065 /nfs/dbraw/zinc/93/40/65/964934065.db2.gz IXXMXOFQGIBUDS-GSJFWJNXSA-N 2 2 234.347 2.200 20 0 BEADLP [NH3+][C@@H]1CCC[C@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001162396587 964955709 /nfs/dbraw/zinc/95/57/09/964955709.db2.gz LUHQMLXRSYUVPT-MNOVXSKESA-N 2 2 230.315 2.016 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC1CC2(CCC2)C1 ZINC000698080474 964977184 /nfs/dbraw/zinc/97/71/84/964977184.db2.gz JSYQJXOJIYPEDW-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[NH2+]CCC[C@@H]1C[NH2+]c1ccc(O)cc1 ZINC001162465503 964989435 /nfs/dbraw/zinc/98/94/35/964989435.db2.gz HTQJGONQJXFLIR-NWDGAFQWSA-N 2 2 234.343 2.440 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001162524036 965024782 /nfs/dbraw/zinc/02/47/82/965024782.db2.gz JSVSQPUSXZBPIJ-QVPDPEPJSA-N 2 2 209.337 2.460 20 0 BEADLP F[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379668 965087390 /nfs/dbraw/zinc/08/73/90/965087390.db2.gz NTFSJHUOAPGHTB-CYBMUJFWSA-N 2 2 240.366 2.295 20 0 BEADLP F[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379668 965087399 /nfs/dbraw/zinc/08/73/99/965087399.db2.gz NTFSJHUOAPGHTB-CYBMUJFWSA-N 2 2 240.366 2.295 20 0 BEADLP C/C(=C\C=C\[NH3+])N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163215148 965306745 /nfs/dbraw/zinc/30/67/45/965306745.db2.gz FRUZZGDUDUEOLP-CQEMWXGDSA-N 2 2 243.354 2.055 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000388062848 965360972 /nfs/dbraw/zinc/36/09/72/965360972.db2.gz JKSZAHMMFLTZPP-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000388062848 965360977 /nfs/dbraw/zinc/36/09/77/965360977.db2.gz JKSZAHMMFLTZPP-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP C[C@@H](C[NH+](C)C)Nc1cc(OC(F)F)cc[nH+]1 ZINC001163785861 965590726 /nfs/dbraw/zinc/59/07/26/965590726.db2.gz ILJVZCMLTYORIN-QMMMGPOBSA-N 2 2 245.273 2.045 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2ncoc2c1 ZINC001205082606 965606176 /nfs/dbraw/zinc/60/61/76/965606176.db2.gz HBFNNNCQECSILH-JQWIXIFHSA-N 2 2 245.326 2.139 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2ncoc2c1 ZINC001205082606 965606193 /nfs/dbraw/zinc/60/61/93/965606193.db2.gz HBFNNNCQECSILH-JQWIXIFHSA-N 2 2 245.326 2.139 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC001235166331 966022839 /nfs/dbraw/zinc/02/28/39/966022839.db2.gz RHEHVZAHCITSSQ-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC001235166331 966022859 /nfs/dbraw/zinc/02/28/59/966022859.db2.gz RHEHVZAHCITSSQ-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP COc1cc(C)c(C[NH+]2CC(C)(C[NH3+])C2)cc1C ZINC001206711511 966198389 /nfs/dbraw/zinc/19/83/89/966198389.db2.gz JKQSZVMJAVQBAJ-UHFFFAOYSA-N 2 2 248.370 2.093 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)sc1C ZINC001235990126 966210132 /nfs/dbraw/zinc/21/01/32/966210132.db2.gz LJTFIOBBFVEPRE-WCQYABFASA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)sc1C ZINC001235990126 966210155 /nfs/dbraw/zinc/21/01/55/966210155.db2.gz LJTFIOBBFVEPRE-WCQYABFASA-N 2 2 236.384 2.288 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236027749 966247307 /nfs/dbraw/zinc/24/73/07/966247307.db2.gz LBAUJUCMVSYGQW-HUUCEWRRSA-N 2 2 230.355 2.172 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236027749 966247323 /nfs/dbraw/zinc/24/73/23/966247323.db2.gz LBAUJUCMVSYGQW-HUUCEWRRSA-N 2 2 230.355 2.172 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)c2c1 ZINC001205177511 966273060 /nfs/dbraw/zinc/27/30/60/966273060.db2.gz OINMPXGMHCJQSJ-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)c2c1 ZINC001205177511 966273076 /nfs/dbraw/zinc/27/30/76/966273076.db2.gz OINMPXGMHCJQSJ-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@H]([NH3+])C2)o1 ZINC001236169572 966282195 /nfs/dbraw/zinc/28/21/95/966282195.db2.gz LDKNVWWAUOOSST-CMPLNLGQSA-N 2 2 222.332 2.115 20 0 BEADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]([NH3+])C2)o1 ZINC001236169572 966282220 /nfs/dbraw/zinc/28/22/20/966282220.db2.gz LDKNVWWAUOOSST-CMPLNLGQSA-N 2 2 222.332 2.115 20 0 BEADLP Cc1ccnc2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c12 ZINC001236175065 966298230 /nfs/dbraw/zinc/29/82/30/966298230.db2.gz YLLASSOITOSBNP-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccnc2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c12 ZINC001236175065 966298243 /nfs/dbraw/zinc/29/82/43/966298243.db2.gz YLLASSOITOSBNP-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP COc1c(C)cc(C[NH+]2CC(C)(C[NH3+])C2)cc1C ZINC001206718529 966422078 /nfs/dbraw/zinc/42/20/78/966422078.db2.gz URGLCRMOBIVSRT-UHFFFAOYSA-N 2 2 248.370 2.093 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)cc1C ZINC001236865757 966599688 /nfs/dbraw/zinc/59/96/88/966599688.db2.gz ODJDJXISRSUHGW-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)cc1C ZINC001236865757 966599692 /nfs/dbraw/zinc/59/96/92/966599692.db2.gz ODJDJXISRSUHGW-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)s1 ZINC001236868717 966602373 /nfs/dbraw/zinc/60/23/73/966602373.db2.gz GWJQYGKOHFRBLB-JTQLQIEISA-N 2 2 226.389 2.480 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)s1 ZINC001236868717 966602381 /nfs/dbraw/zinc/60/23/81/966602381.db2.gz GWJQYGKOHFRBLB-JTQLQIEISA-N 2 2 226.389 2.480 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2ncsc2c1 ZINC001236884736 966608406 /nfs/dbraw/zinc/60/84/06/966608406.db2.gz RGWAODVWPZVNDE-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ncsc2c1 ZINC001236884736 966608413 /nfs/dbraw/zinc/60/84/13/966608413.db2.gz RGWAODVWPZVNDE-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2C1 ZINC001203359787 966614191 /nfs/dbraw/zinc/61/41/91/966614191.db2.gz HFEPIJIXTKVACM-ZIAGYGMSSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC001203359783 966615987 /nfs/dbraw/zinc/61/59/87/966615987.db2.gz HFEPIJIXTKVACM-KBPBESRZSA-N 2 2 248.345 2.209 20 0 BEADLP Cc1c[nH+]c(C)c(Nc2c[nH+]cn2C)c1 ZINC001203656271 966719093 /nfs/dbraw/zinc/71/90/93/966719093.db2.gz OZWZPEWWLCJKHV-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP C[C@H](C[NH+]1CC2(C1)CC[N@H+](C)C2)c1ccccc1 ZINC001276435798 966857570 /nfs/dbraw/zinc/85/75/70/966857570.db2.gz MMNLEFSNTLFKLF-CQSZACIVSA-N 2 2 244.382 2.428 20 0 BEADLP C[C@H](C[NH+]1CC2(C1)CC[N@@H+](C)C2)c1ccccc1 ZINC001276435798 966857574 /nfs/dbraw/zinc/85/75/74/966857574.db2.gz MMNLEFSNTLFKLF-CQSZACIVSA-N 2 2 244.382 2.428 20 0 BEADLP Nc1[nH+]cccc1Nc1c[nH+]c2ccccn12 ZINC001212394076 967016720 /nfs/dbraw/zinc/01/67/20/967016720.db2.gz ZDOIBAVUYCEULD-UHFFFAOYSA-N 2 2 225.255 2.055 20 0 BEADLP c1nc2cccc(C[N@@H+]3CCC[NH2+]CC3)c2s1 ZINC001204675181 967132224 /nfs/dbraw/zinc/13/22/24/967132224.db2.gz JPXMCLWRNPMURO-UHFFFAOYSA-N 2 2 247.367 2.092 20 0 BEADLP c1nc2cccc(C[N@H+]3CCC[NH2+]CC3)c2s1 ZINC001204675181 967132233 /nfs/dbraw/zinc/13/22/33/967132233.db2.gz JPXMCLWRNPMURO-UHFFFAOYSA-N 2 2 247.367 2.092 20 0 BEADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCCC12CC2 ZINC001204748444 967143919 /nfs/dbraw/zinc/14/39/19/967143919.db2.gz LKQOAVZWLXCCRB-CQSZACIVSA-N 2 2 230.355 2.185 20 0 BEADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCCC12CC2 ZINC001204748444 967143932 /nfs/dbraw/zinc/14/39/32/967143932.db2.gz LKQOAVZWLXCCRB-CQSZACIVSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@@](C)([NH3+])C1)OCc1ccccc1 ZINC001204764407 967159572 /nfs/dbraw/zinc/15/95/72/967159572.db2.gz ZEUVEPAALLZWSK-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@@](C)([NH3+])C1)OCc1ccccc1 ZINC001204764407 967159578 /nfs/dbraw/zinc/15/95/78/967159578.db2.gz ZEUVEPAALLZWSK-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP CSc1ccccc1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204791147 967169213 /nfs/dbraw/zinc/16/92/13/967169213.db2.gz OTENIHOOMYFRPD-CYBMUJFWSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204791147 967169221 /nfs/dbraw/zinc/16/92/21/967169221.db2.gz OTENIHOOMYFRPD-CYBMUJFWSA-N 2 2 236.384 2.332 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904840 967227275 /nfs/dbraw/zinc/22/72/75/967227275.db2.gz ZXFOIVQKCWSQBD-CQSZACIVSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904840 967227294 /nfs/dbraw/zinc/22/72/94/967227294.db2.gz ZXFOIVQKCWSQBD-CQSZACIVSA-N 2 2 230.355 2.172 20 0 BEADLP Cc1c(F)cccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064445 967320613 /nfs/dbraw/zinc/32/06/13/967320613.db2.gz NXXOHMFEKIDRIF-GWCFXTLKSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1c(F)cccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064445 967320628 /nfs/dbraw/zinc/32/06/28/967320628.db2.gz NXXOHMFEKIDRIF-GWCFXTLKSA-N 2 2 236.334 2.446 20 0 BEADLP COc1ccc(C)cc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068359 967324566 /nfs/dbraw/zinc/32/45/66/967324566.db2.gz HITNULZEPDYHHG-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP COc1ccc(C)cc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068359 967324571 /nfs/dbraw/zinc/32/45/71/967324571.db2.gz HITNULZEPDYHHG-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cncc(Cl)c2)CC1 ZINC001205101713 967344944 /nfs/dbraw/zinc/34/49/44/967344944.db2.gz JTMXNLGWVZDZQB-GFCCVEGCSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)CC1 ZINC001205101713 967344947 /nfs/dbraw/zinc/34/49/47/967344947.db2.gz JTMXNLGWVZDZQB-GFCCVEGCSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)CC1 ZINC001205101533 967349504 /nfs/dbraw/zinc/34/95/04/967349504.db2.gz HZEFOVSPGHWJSO-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)CC1 ZINC001205101533 967349516 /nfs/dbraw/zinc/34/95/16/967349516.db2.gz HZEFOVSPGHWJSO-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@H]([NH3+])CC2)sc1C ZINC001205110513 967358918 /nfs/dbraw/zinc/35/89/18/967358918.db2.gz UPIMOFCBEVHNTL-NSHDSACASA-N 2 2 239.388 2.073 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@H]([NH3+])CC2)sc1C ZINC001205110513 967358925 /nfs/dbraw/zinc/35/89/25/967358925.db2.gz UPIMOFCBEVHNTL-NSHDSACASA-N 2 2 239.388 2.073 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2ncsc21 ZINC001205197568 967421108 /nfs/dbraw/zinc/42/11/08/967421108.db2.gz SCHAREBGSMYSIU-MWLCHTKSSA-N 2 2 247.367 2.218 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2ncsc21 ZINC001205197568 967421115 /nfs/dbraw/zinc/42/11/15/967421115.db2.gz SCHAREBGSMYSIU-MWLCHTKSSA-N 2 2 247.367 2.218 20 0 BEADLP C[NH+](C)CCc1c[nH+]cn1Cc1ccccc1 ZINC001250163014 967456446 /nfs/dbraw/zinc/45/64/46/967456446.db2.gz ZNXPFCHCSTUBTD-UHFFFAOYSA-N 2 2 229.327 2.036 20 0 BEADLP COc1cccc(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000922213201 967605560 /nfs/dbraw/zinc/60/55/60/967605560.db2.gz AITMDUCBEVPJIW-UHFFFAOYSA-N 2 2 248.370 2.186 20 0 BEADLP C[NH+](C)CCCCNc1cc2cc[nH]c2c[nH+]1 ZINC001161724894 967620581 /nfs/dbraw/zinc/62/05/81/967620581.db2.gz HCFOZAAHCPDZMI-UHFFFAOYSA-N 2 2 232.331 2.317 20 0 BEADLP Cc1c[nH+]cc(N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC001162403106 967828187 /nfs/dbraw/zinc/82/81/87/967828187.db2.gz XYHOWXRPFBQBLX-RYUDHWBXSA-N 2 2 219.332 2.380 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805806 967831452 /nfs/dbraw/zinc/83/14/52/967831452.db2.gz RXWAIZKLCMCUQF-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805806 967831454 /nfs/dbraw/zinc/83/14/54/967831454.db2.gz RXWAIZKLCMCUQF-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])[nH]1 ZINC001205819548 967834739 /nfs/dbraw/zinc/83/47/39/967834739.db2.gz YDVOLQPKFFKICU-GWCFXTLKSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])[nH]1 ZINC001205819548 967834741 /nfs/dbraw/zinc/83/47/41/967834741.db2.gz YDVOLQPKFFKICU-GWCFXTLKSA-N 2 2 235.375 2.191 20 0 BEADLP CC[N@H+](Cc1ccncc1C)C1CC[NH+](C)CC1 ZINC001205851055 967855046 /nfs/dbraw/zinc/85/50/46/967855046.db2.gz UKECFXKKESGMRH-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1ccncc1C)C1CC[NH+](C)CC1 ZINC001205851055 967855048 /nfs/dbraw/zinc/85/50/48/967855048.db2.gz UKECFXKKESGMRH-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711191591 967995887 /nfs/dbraw/zinc/99/58/87/967995887.db2.gz GNCYHNLQTYQHFR-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc(F)cc(C)c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206738300 968451457 /nfs/dbraw/zinc/45/14/57/968451457.db2.gz ZMJVHJITYGAJBZ-UHFFFAOYSA-N 2 2 236.334 2.223 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164453545 968516984 /nfs/dbraw/zinc/51/69/84/968516984.db2.gz PPBYPKCYUIOCBT-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C2=CCC[NH2+]C2)cn2cc[nH+]c12 ZINC001240665678 968629746 /nfs/dbraw/zinc/62/97/46/968629746.db2.gz WGIHYCPPLLJIPP-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP Cc1cc(C=C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001240876403 968786674 /nfs/dbraw/zinc/78/66/74/968786674.db2.gz ZIOWNZJRQURCNX-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632104 968849127 /nfs/dbraw/zinc/84/91/27/968849127.db2.gz MEXULIKZUOJZJE-UYJHQMFVSA-N 2 2 246.398 2.225 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632104 968849134 /nfs/dbraw/zinc/84/91/34/968849134.db2.gz MEXULIKZUOJZJE-UYJHQMFVSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632104 968849139 /nfs/dbraw/zinc/84/91/39/968849139.db2.gz MEXULIKZUOJZJE-UYJHQMFVSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632104 968849145 /nfs/dbraw/zinc/84/91/45/968849145.db2.gz MEXULIKZUOJZJE-UYJHQMFVSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC(C)(C[N@@H+]2CCC(F)(F)C2)CC1 ZINC001208104358 968999919 /nfs/dbraw/zinc/99/99/19/968999919.db2.gz MTDMVLFMAUDDSU-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP C[NH+]1CCC(C)(C[N@H+]2CCC(F)(F)C2)CC1 ZINC001208104358 968999921 /nfs/dbraw/zinc/99/99/21/968999921.db2.gz MTDMVLFMAUDDSU-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP CC/C=C\CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208733101 969216516 /nfs/dbraw/zinc/21/65/16/969216516.db2.gz IRXLFGKVBNVDIM-UUSXEQNQSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208733101 969216525 /nfs/dbraw/zinc/21/65/25/969216525.db2.gz IRXLFGKVBNVDIM-UUSXEQNQSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208733101 969216534 /nfs/dbraw/zinc/21/65/34/969216534.db2.gz IRXLFGKVBNVDIM-UUSXEQNQSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208733101 969216542 /nfs/dbraw/zinc/21/65/42/969216542.db2.gz IRXLFGKVBNVDIM-UUSXEQNQSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208733090 969220190 /nfs/dbraw/zinc/22/01/90/969220190.db2.gz IRXLFGKVBNVDIM-MRYXHSKJSA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208733090 969220181 /nfs/dbraw/zinc/22/01/81/969220181.db2.gz IRXLFGKVBNVDIM-MRYXHSKJSA-N 2 2 222.376 2.369 20 0 BEADLP Cc1cn2cccc(NC3=CC[N@H+](C)CC3)c2[nH+]1 ZINC001208741104 969227474 /nfs/dbraw/zinc/22/74/74/969227474.db2.gz DMGZWTSCENFFRL-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP Cc1cn2cccc(NC3=CC[N@@H+](C)CC3)c2[nH+]1 ZINC001208741104 969227480 /nfs/dbraw/zinc/22/74/80/969227480.db2.gz DMGZWTSCENFFRL-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP Cc1cccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081763 969403078 /nfs/dbraw/zinc/40/30/78/969403078.db2.gz VZYKSMBEVYVQQY-BTTYYORXSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cccnc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081763 969403080 /nfs/dbraw/zinc/40/30/80/969403080.db2.gz VZYKSMBEVYVQQY-BTTYYORXSA-N 2 2 245.370 2.105 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001169156337 969471971 /nfs/dbraw/zinc/47/19/71/969471971.db2.gz WUGAUFPZVHCXFH-DGTMBMJNSA-N 2 2 220.360 2.096 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001169156337 969471982 /nfs/dbraw/zinc/47/19/82/969471982.db2.gz WUGAUFPZVHCXFH-DGTMBMJNSA-N 2 2 220.360 2.096 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001169156337 969471990 /nfs/dbraw/zinc/47/19/90/969471990.db2.gz WUGAUFPZVHCXFH-DGTMBMJNSA-N 2 2 220.360 2.096 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001169156337 969471994 /nfs/dbraw/zinc/47/19/94/969471994.db2.gz WUGAUFPZVHCXFH-DGTMBMJNSA-N 2 2 220.360 2.096 20 0 BEADLP CC[NH+]1CCC([NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC001169244761 969527917 /nfs/dbraw/zinc/52/79/17/969527917.db2.gz VLWRIDPUDAVNGA-UHFFFAOYSA-N 2 2 244.329 2.202 20 0 BEADLP C[N@H+](Cc1c[nH+]ccc1N)C1CCCCC1 ZINC001209728732 969579691 /nfs/dbraw/zinc/57/96/91/969579691.db2.gz UNSLIWWXOKCBED-UHFFFAOYSA-N 2 2 219.332 2.259 20 0 BEADLP C[N@@H+](Cc1c[nH+]ccc1N)C1CCCCC1 ZINC001209728732 969579693 /nfs/dbraw/zinc/57/96/93/969579693.db2.gz UNSLIWWXOKCBED-UHFFFAOYSA-N 2 2 219.332 2.259 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c[nH+]ccc1N ZINC001209728387 969580930 /nfs/dbraw/zinc/58/09/30/969580930.db2.gz SMZITWRTIXFNRX-PHIMTYICSA-N 2 2 219.332 2.257 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c[nH+]ccc1N ZINC001209728387 969580933 /nfs/dbraw/zinc/58/09/33/969580933.db2.gz SMZITWRTIXFNRX-PHIMTYICSA-N 2 2 219.332 2.257 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1)Cc1c[nH+]ccc1N ZINC001209727954 969583122 /nfs/dbraw/zinc/58/31/22/969583122.db2.gz OXQPGKYMJNTZDQ-UHFFFAOYSA-N 2 2 245.301 2.265 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1)Cc1c[nH+]ccc1N ZINC001209727954 969583127 /nfs/dbraw/zinc/58/31/27/969583127.db2.gz OXQPGKYMJNTZDQ-UHFFFAOYSA-N 2 2 245.301 2.265 20 0 BEADLP Nc1cc[nH+]cc1C[N@@H+]1CCc2sccc2C1 ZINC001209729653 969589756 /nfs/dbraw/zinc/58/97/56/969589756.db2.gz QINYJIDJMRYKSU-UHFFFAOYSA-N 2 2 245.351 2.114 20 0 BEADLP Nc1cc[nH+]cc1C[N@H+]1CCc2sccc2C1 ZINC001209729653 969589761 /nfs/dbraw/zinc/58/97/61/969589761.db2.gz QINYJIDJMRYKSU-UHFFFAOYSA-N 2 2 245.351 2.114 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209733853 969594048 /nfs/dbraw/zinc/59/40/48/969594048.db2.gz IGCGGOLNBYCGJV-WDEREUQCSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209733853 969594057 /nfs/dbraw/zinc/59/40/57/969594057.db2.gz IGCGGOLNBYCGJV-WDEREUQCSA-N 2 2 219.332 2.115 20 0 BEADLP Cc1ccc(C[N@@H+](C)Cc2c[nH+]ccc2N)cc1 ZINC001209734534 969599313 /nfs/dbraw/zinc/59/93/13/969599313.db2.gz SZIYFCLAUVXGGX-UHFFFAOYSA-N 2 2 241.338 2.435 20 0 BEADLP Cc1ccc(C[N@H+](C)Cc2c[nH+]ccc2N)cc1 ZINC001209734534 969599320 /nfs/dbraw/zinc/59/93/20/969599320.db2.gz SZIYFCLAUVXGGX-UHFFFAOYSA-N 2 2 241.338 2.435 20 0 BEADLP Cc1c[nH+]c(Nc2c[nH+]c(N)cc2C)c(N)c1 ZINC001209967142 969736108 /nfs/dbraw/zinc/73/61/08/969736108.db2.gz IIRMKQBJOLZVCP-UHFFFAOYSA-N 2 2 229.287 2.001 20 0 BEADLP F[C@H]1CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254832551 969795367 /nfs/dbraw/zinc/79/53/67/969795367.db2.gz HCJXMHHBCRNPJA-MJBXVCDLSA-N 2 2 240.366 2.341 20 0 BEADLP C1CC2(CCCC2)[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254854805 969809282 /nfs/dbraw/zinc/80/92/82/969809282.db2.gz IQVASXMKKHRFLD-AWEZNQCLSA-N 2 2 234.387 2.489 20 0 BEADLP C1CC2(CCCC2)[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254854805 969809284 /nfs/dbraw/zinc/80/92/84/969809284.db2.gz IQVASXMKKHRFLD-AWEZNQCLSA-N 2 2 234.387 2.489 20 0 BEADLP Nc1cn[nH+]cc1Nc1cccc2cc[nH+]cc21 ZINC001210224259 969838432 /nfs/dbraw/zinc/83/84/32/969838432.db2.gz IHFFORJWZYLVAR-UHFFFAOYSA-N 2 2 237.266 2.351 20 0 BEADLP C[C@H](CC[N@@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001210398207 969884841 /nfs/dbraw/zinc/88/48/41/969884841.db2.gz BHKPTUIOEQVTGT-OLZOCXBDSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@H](CC[N@H+]1CCO[C@@H](C[NH3+])C1)CC(C)(C)C ZINC001210398207 969884843 /nfs/dbraw/zinc/88/48/43/969884843.db2.gz BHKPTUIOEQVTGT-OLZOCXBDSA-N 2 2 242.407 2.108 20 0 BEADLP CC[N@H+](C1CCSCC1)C1CC[NH+](C)CC1 ZINC001255092680 969926549 /nfs/dbraw/zinc/92/65/49/969926549.db2.gz CXSMMYASBIQGRB-UHFFFAOYSA-N 2 2 242.432 2.298 20 0 BEADLP CC[N@@H+](C1CCSCC1)C1CC[NH+](C)CC1 ZINC001255092680 969926553 /nfs/dbraw/zinc/92/65/53/969926553.db2.gz CXSMMYASBIQGRB-UHFFFAOYSA-N 2 2 242.432 2.298 20 0 BEADLP COc1cc(Nc2cc[nH+]c(CO)c2)cc(C)[nH+]1 ZINC001210779069 970028090 /nfs/dbraw/zinc/02/80/90/970028090.db2.gz FIFUTPNWKPJQEV-UHFFFAOYSA-N 2 2 245.282 2.030 20 0 BEADLP CCc1ccc(C)[nH+]c1Nc1c[nH+]cn1C ZINC001211245283 970189052 /nfs/dbraw/zinc/18/90/52/970189052.db2.gz GRPFYXZZTWWTPZ-UHFFFAOYSA-N 2 2 216.288 2.430 20 0 BEADLP COc1c[nH+]ccc1Nc1ccc(C)[nH+]c1C ZINC001211258256 970202544 /nfs/dbraw/zinc/20/25/44/970202544.db2.gz WJOAMVWDZNHWPL-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1c[nH+]cc(C)c1C ZINC001213527528 970347129 /nfs/dbraw/zinc/34/71/29/970347129.db2.gz QWZDRLYHBCVHNQ-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP Cc1c[nH+]cc(N(C)c2cc(N)cc[nH+]2)c1C ZINC001213529211 970353527 /nfs/dbraw/zinc/35/35/27/970353527.db2.gz YRKZGDASJVRHCR-UHFFFAOYSA-N 2 2 228.299 2.444 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001170156329 970482430 /nfs/dbraw/zinc/48/24/30/970482430.db2.gz DARUGFXNDLKZPC-YIYPIFLZSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001170156329 970482438 /nfs/dbraw/zinc/48/24/38/970482438.db2.gz DARUGFXNDLKZPC-YIYPIFLZSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001170156329 970482443 /nfs/dbraw/zinc/48/24/43/970482443.db2.gz DARUGFXNDLKZPC-YIYPIFLZSA-N 2 2 222.376 2.201 20 0 BEADLP Cc1ccc(C[C@H](C)[NH2+]CC2C[NH+](C)C2)cc1 ZINC001255779728 970484687 /nfs/dbraw/zinc/48/46/87/970484687.db2.gz HTOOQCXPIXRBPI-ZDUSSCGKSA-N 2 2 232.371 2.077 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)n1cc[nH+]c1CC[NH3+] ZINC001255858892 970521984 /nfs/dbraw/zinc/52/19/84/970521984.db2.gz KBIPZTSYIHSQDL-LLVKDONJSA-N 2 2 247.317 2.327 20 0 BEADLP C[C@@H](Cc1ccc(F)cc1)n1cc[nH+]c1CC[NH3+] ZINC001255858893 970525087 /nfs/dbraw/zinc/52/50/87/970525087.db2.gz KBIPZTSYIHSQDL-NSHDSACASA-N 2 2 247.317 2.327 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]C(C)(C)C(C)=O ZINC001255939337 970568454 /nfs/dbraw/zinc/56/84/54/970568454.db2.gz BVDYBMFBEUGJPX-NSHDSACASA-N 2 2 228.380 2.064 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072780 970642190 /nfs/dbraw/zinc/64/21/90/970642190.db2.gz HSHAGWFBYQERKG-GHMZBOCLSA-N 2 2 226.339 2.046 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072780 970642198 /nfs/dbraw/zinc/64/21/98/970642198.db2.gz HSHAGWFBYQERKG-GHMZBOCLSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1CC(CNc2[nH+]ccc3cc(F)ccc32)C1 ZINC001170252112 970657550 /nfs/dbraw/zinc/65/75/50/970657550.db2.gz KFCJZGJHLSMTNF-UHFFFAOYSA-N 2 2 245.301 2.347 20 0 BEADLP Cc1c(O)cccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001144107589 972599839 /nfs/dbraw/zinc/59/98/39/972599839.db2.gz LVFJVLGRNOZJLL-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1c(O)cccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001144107589 972599847 /nfs/dbraw/zinc/59/98/47/972599847.db2.gz LVFJVLGRNOZJLL-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP C[C@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1F ZINC001246590009 972995381 /nfs/dbraw/zinc/99/53/81/972995381.db2.gz RKJNLYAQHXXRJT-KTCIRNNBSA-N 2 2 244.329 2.041 20 0 BEADLP C[C@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1F ZINC001246590009 972995398 /nfs/dbraw/zinc/99/53/98/972995398.db2.gz RKJNLYAQHXXRJT-KTCIRNNBSA-N 2 2 244.329 2.041 20 0 BEADLP CCC1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246662057 973074126 /nfs/dbraw/zinc/07/41/26/973074126.db2.gz VMRYISQIODEBLN-GNRIBBGQSA-N 2 2 222.376 2.378 20 0 BEADLP CCC1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246662057 973074136 /nfs/dbraw/zinc/07/41/36/973074136.db2.gz VMRYISQIODEBLN-GNRIBBGQSA-N 2 2 222.376 2.378 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854167 973162010 /nfs/dbraw/zinc/16/20/10/973162010.db2.gz PCNHZNJFIFLZQM-UXIGCNINSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854167 973162025 /nfs/dbraw/zinc/16/20/25/973162025.db2.gz PCNHZNJFIFLZQM-UXIGCNINSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854174 973162431 /nfs/dbraw/zinc/16/24/31/973162431.db2.gz PCNHZNJFIFLZQM-ZLDLUXBVSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854174 973162446 /nfs/dbraw/zinc/16/24/46/973162446.db2.gz PCNHZNJFIFLZQM-ZLDLUXBVSA-N 2 2 248.345 2.180 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246919131 973483977 /nfs/dbraw/zinc/48/39/77/973483977.db2.gz MQBNXDWZZQGRQZ-LVQVYYBASA-N 2 2 242.366 2.226 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246919131 973484004 /nfs/dbraw/zinc/48/40/04/973484004.db2.gz MQBNXDWZZQGRQZ-LVQVYYBASA-N 2 2 242.366 2.226 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498244 1169962046 /nfs/dbraw/zinc/96/20/46/1169962046.db2.gz LOEWBDFLIACJEK-UXOAXIEHSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498244 1169962051 /nfs/dbraw/zinc/96/20/51/1169962051.db2.gz LOEWBDFLIACJEK-UXOAXIEHSA-N 2 2 236.403 2.495 20 0 BEADLP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc[nH+]cc1 ZINC001225294088 974368537 /nfs/dbraw/zinc/36/85/37/974368537.db2.gz DZJWIJHQWIUHLW-IMRBUKKESA-N 2 2 232.327 2.191 20 0 BEADLP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc[nH+]cc1 ZINC001225294088 974368546 /nfs/dbraw/zinc/36/85/46/974368546.db2.gz DZJWIJHQWIUHLW-IMRBUKKESA-N 2 2 232.327 2.191 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCOCC ZINC001172407322 974665656 /nfs/dbraw/zinc/66/56/56/974665656.db2.gz AGBMDMVOXVLOCX-ZDUSSCGKSA-N 2 2 230.396 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCOCC ZINC001172407322 974665659 /nfs/dbraw/zinc/66/56/59/974665659.db2.gz AGBMDMVOXVLOCX-ZDUSSCGKSA-N 2 2 230.396 2.123 20 0 BEADLP CCOCC[C@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001172426903 974704393 /nfs/dbraw/zinc/70/43/93/974704393.db2.gz JKIYZZOWGLUDTL-ZDUSSCGKSA-N 2 2 239.363 2.020 20 0 BEADLP CCOCC[C@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001172426903 974704398 /nfs/dbraw/zinc/70/43/98/974704398.db2.gz JKIYZZOWGLUDTL-ZDUSSCGKSA-N 2 2 239.363 2.020 20 0 BEADLP CC1CC([NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001331966058 974895253 /nfs/dbraw/zinc/89/52/53/974895253.db2.gz SDBBOMYTCKTEJI-PESDSKBTSA-N 2 2 247.386 2.463 20 0 BEADLP CC[C@@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001173263258 975118667 /nfs/dbraw/zinc/11/86/67/975118667.db2.gz HKLUORIJRNDHMU-GHMZBOCLSA-N 2 2 207.321 2.136 20 0 BEADLP CCSC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001173293110 975169550 /nfs/dbraw/zinc/16/95/50/975169550.db2.gz XCNWSDPLSZEPDA-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP Cc1cc[nH+]c(C)c1O[C@H](C)C[NH+](C)C ZINC001227263151 975337586 /nfs/dbraw/zinc/33/75/86/975337586.db2.gz CKNYBYYUKMXHAS-SNVBAGLBSA-N 2 2 208.305 2.027 20 0 BEADLP Fc1ccc(CC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC001334918286 976788627 /nfs/dbraw/zinc/78/86/27/976788627.db2.gz QHDQSSZLLJPVBM-DZGCQCFKSA-N 2 2 248.345 2.052 20 0 BEADLP Fc1ccc(CC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC001334918286 976788638 /nfs/dbraw/zinc/78/86/38/976788638.db2.gz QHDQSSZLLJPVBM-DZGCQCFKSA-N 2 2 248.345 2.052 20 0 BEADLP Nc1c[nH+]cn1-c1ccc([NH+]2CCCC2)cc1 ZINC001174526413 976806703 /nfs/dbraw/zinc/80/67/03/976806703.db2.gz MUONMPMYVVUZOQ-UHFFFAOYSA-N 2 2 228.299 2.055 20 0 BEADLP Cc1c[nH+]ccc1-n1c[nH+]c2cccc(N)c21 ZINC001174537942 976825929 /nfs/dbraw/zinc/82/59/29/976825929.db2.gz WVAKWHLWFGIGEA-UHFFFAOYSA-N 2 2 224.267 2.311 20 0 BEADLP Cc1cc(Nc2[nH+]c3ccccc3n2C)cc[nH+]1 ZINC001174650912 976935482 /nfs/dbraw/zinc/93/54/82/976935482.db2.gz GDERHVUTRIIRTM-UHFFFAOYSA-N 2 2 238.294 2.442 20 0 BEADLP Cc1cn2cccc(NC3=CCC[N@@H+](C)C3)c2[nH+]1 ZINC001175574935 977568800 /nfs/dbraw/zinc/56/88/00/977568800.db2.gz GEIQLIFRHIYOTR-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP Cc1cn2cccc(NC3=CCC[N@H+](C)C3)c2[nH+]1 ZINC001175574935 977568807 /nfs/dbraw/zinc/56/88/07/977568807.db2.gz GEIQLIFRHIYOTR-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP c1[nH]cc(C2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC001336545965 977767922 /nfs/dbraw/zinc/76/79/22/977767922.db2.gz OVVHZAVVKOEKAQ-UHFFFAOYSA-N 2 2 228.299 2.189 20 0 BEADLP F[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015006 977844737 /nfs/dbraw/zinc/84/47/37/977844737.db2.gz QLQPIWUVQMAGMS-LLVKDONJSA-N 2 2 233.290 2.497 20 0 BEADLP F[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015006 977844744 /nfs/dbraw/zinc/84/47/44/977844744.db2.gz QLQPIWUVQMAGMS-LLVKDONJSA-N 2 2 233.290 2.497 20 0 BEADLP Cc1cc(Nc2ccc(N(C)C)[nH+]c2)cc(C)[nH+]1 ZINC001176052029 977895967 /nfs/dbraw/zinc/89/59/67/977895967.db2.gz LYABFUWSCNRUIN-UHFFFAOYSA-N 2 2 242.326 2.325 20 0 BEADLP Cc1nc(NC[C@@H]2CCCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001336765485 977935990 /nfs/dbraw/zinc/93/59/90/977935990.db2.gz YXOIWUIXJDTSKW-ZDUSSCGKSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(NC[C@@H]2CCCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001336765485 977936003 /nfs/dbraw/zinc/93/60/03/977936003.db2.gz YXOIWUIXJDTSKW-ZDUSSCGKSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC001232461249 978096208 /nfs/dbraw/zinc/09/62/08/978096208.db2.gz ZBWVADKGVGDFEH-NEPJUHHUSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC001232461249 978096220 /nfs/dbraw/zinc/09/62/20/978096220.db2.gz ZBWVADKGVGDFEH-NEPJUHHUSA-N 2 2 219.332 2.340 20 0 BEADLP Cn1cc[nH+]c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743776 978171231 /nfs/dbraw/zinc/17/12/31/978171231.db2.gz MBHWNSWXJPKKLA-UHFFFAOYSA-N 2 2 243.314 2.159 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC001233008990 978410292 /nfs/dbraw/zinc/41/02/92/978410292.db2.gz YHUOZOSHZUMCTJ-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC001233008990 978410297 /nfs/dbraw/zinc/41/02/97/978410297.db2.gz YHUOZOSHZUMCTJ-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP COc1cc(C[NH+]2CCC2)ccc1-n1cc[nH+]c1 ZINC001234031908 978757451 /nfs/dbraw/zinc/75/74/51/978757451.db2.gz CXEDKMQDLLXYCQ-UHFFFAOYSA-N 2 2 243.310 2.087 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(C)[nH+]1 ZINC001234600746 978869017 /nfs/dbraw/zinc/86/90/17/978869017.db2.gz GWCKQFUYRXLQHJ-JSGCOSHPSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(C)[nH+]1 ZINC001234600746 978869024 /nfs/dbraw/zinc/86/90/24/978869024.db2.gz GWCKQFUYRXLQHJ-JSGCOSHPSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(C)[nH+]1 ZINC001234610711 978872875 /nfs/dbraw/zinc/87/28/75/978872875.db2.gz YIFCFVVMYWDXOV-DUFXMDAXSA-N 2 2 249.358 2.026 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(C)[nH+]1 ZINC001234610711 978872881 /nfs/dbraw/zinc/87/28/81/978872881.db2.gz YIFCFVVMYWDXOV-DUFXMDAXSA-N 2 2 249.358 2.026 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235037504 978958407 /nfs/dbraw/zinc/95/84/07/978958407.db2.gz HHVWMRMTHGYVSJ-LSDHHAIUSA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235037504 978958419 /nfs/dbraw/zinc/95/84/19/978958419.db2.gz HHVWMRMTHGYVSJ-LSDHHAIUSA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235077745 978971834 /nfs/dbraw/zinc/97/18/34/978971834.db2.gz RXDDKICKNCCCRI-HZPDHXFCSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235077745 978971835 /nfs/dbraw/zinc/97/18/35/978971835.db2.gz RXDDKICKNCCCRI-HZPDHXFCSA-N 2 2 244.382 2.446 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235082564 978973754 /nfs/dbraw/zinc/97/37/54/978973754.db2.gz VHLDPXACHANZCF-HZPDHXFCSA-N 2 2 244.382 2.494 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235082564 978973756 /nfs/dbraw/zinc/97/37/56/978973756.db2.gz VHLDPXACHANZCF-HZPDHXFCSA-N 2 2 244.382 2.494 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235164609 978986018 /nfs/dbraw/zinc/98/60/18/978986018.db2.gz BLBRIDDOUJVFBM-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235164609 978986022 /nfs/dbraw/zinc/98/60/22/978986022.db2.gz BLBRIDDOUJVFBM-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982921 979266916 /nfs/dbraw/zinc/26/69/16/979266916.db2.gz XTWXVUFLGAELAR-HIFRSBDPSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982921 979266920 /nfs/dbraw/zinc/26/69/20/979266920.db2.gz XTWXVUFLGAELAR-HIFRSBDPSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1coc3ccccc13)C2 ZINC001235984078 979267833 /nfs/dbraw/zinc/26/78/33/979267833.db2.gz ARVFXVQSFDGKOH-IUODEOHRSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC001235984078 979267847 /nfs/dbraw/zinc/26/78/47/979267847.db2.gz ARVFXVQSFDGKOH-IUODEOHRSA-N 2 2 242.322 2.356 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)s1 ZINC001235990250 979269992 /nfs/dbraw/zinc/26/99/92/979269992.db2.gz MELHVIQVYUWYBQ-MFKMUULPSA-N 2 2 236.384 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)s1 ZINC001235990250 979270013 /nfs/dbraw/zinc/27/00/13/979270013.db2.gz MELHVIQVYUWYBQ-MFKMUULPSA-N 2 2 236.384 2.234 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC001235988601 979272533 /nfs/dbraw/zinc/27/25/33/979272533.db2.gz HQCVKAWLAMVMEE-IUODEOHRSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC001235988601 979272543 /nfs/dbraw/zinc/27/25/43/979272543.db2.gz HQCVKAWLAMVMEE-IUODEOHRSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc3occc31)C2 ZINC001235994162 979284328 /nfs/dbraw/zinc/28/43/28/979284328.db2.gz SLNOHQYPMOEJLE-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc3occc31)C2 ZINC001235994162 979284348 /nfs/dbraw/zinc/28/43/48/979284348.db2.gz SLNOHQYPMOEJLE-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](CCCC1CCCCC1)C2 ZINC001236016177 979303319 /nfs/dbraw/zinc/30/33/19/979303319.db2.gz OLZIMYPFSAGSFJ-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC001236016177 979303327 /nfs/dbraw/zinc/30/33/27/979303327.db2.gz OLZIMYPFSAGSFJ-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236030866 979326899 /nfs/dbraw/zinc/32/68/99/979326899.db2.gz XCAGIDPEJITAAP-UKRRQHHQSA-N 2 2 230.355 2.090 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236030866 979326912 /nfs/dbraw/zinc/32/69/12/979326912.db2.gz XCAGIDPEJITAAP-UKRRQHHQSA-N 2 2 230.355 2.090 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236046403 979340649 /nfs/dbraw/zinc/34/06/49/979340649.db2.gz GFBKYRDYSZUHBZ-SWLSCSKDSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236046403 979340659 /nfs/dbraw/zinc/34/06/59/979340659.db2.gz GFBKYRDYSZUHBZ-SWLSCSKDSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236046399 979345549 /nfs/dbraw/zinc/34/55/49/979345549.db2.gz GFBKYRDYSZUHBZ-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236046399 979345560 /nfs/dbraw/zinc/34/55/60/979345560.db2.gz GFBKYRDYSZUHBZ-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP Cc1ccc2c(C[N@@H+]3CC[C@@H]([NH3+])C3)cccc2n1 ZINC001236174921 979435371 /nfs/dbraw/zinc/43/53/71/979435371.db2.gz UWNYZHHPAJICJC-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc2c(C[N@H+]3CC[C@@H]([NH3+])C3)cccc2n1 ZINC001236174921 979435387 /nfs/dbraw/zinc/43/53/87/979435387.db2.gz UWNYZHHPAJICJC-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc3sccc32)C1 ZINC001236174441 979436413 /nfs/dbraw/zinc/43/64/13/979436413.db2.gz QPOIONNBBVEBTN-LLVKDONJSA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3sccc32)C1 ZINC001236174441 979436421 /nfs/dbraw/zinc/43/64/21/979436421.db2.gz QPOIONNBBVEBTN-LLVKDONJSA-N 2 2 232.352 2.434 20 0 BEADLP C[N@H+](CCOc1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236198441 979444976 /nfs/dbraw/zinc/44/49/76/979444976.db2.gz CEQAXVONKQQRQD-OAHLLOKOSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@@H+](CCOc1ccccc1)[C@]1(C)CCC[NH2+]C1 ZINC001236198441 979444984 /nfs/dbraw/zinc/44/49/84/979444984.db2.gz CEQAXVONKQQRQD-OAHLLOKOSA-N 2 2 248.370 2.139 20 0 BEADLP Cn1ccc2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246382 979468909 /nfs/dbraw/zinc/46/89/09/979468909.db2.gz YODYNJXPWOCDOU-CQSZACIVSA-N 2 2 243.354 2.101 20 0 BEADLP Cn1ccc2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246382 979468916 /nfs/dbraw/zinc/46/89/16/979468916.db2.gz YODYNJXPWOCDOU-CQSZACIVSA-N 2 2 243.354 2.101 20 0 BEADLP C[C@@H]([NH3+])c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236313562 979520367 /nfs/dbraw/zinc/52/03/67/979520367.db2.gz QFVNLPGPCOUIKD-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP C/C(=C\C=C\[NH3+])c1cccc2c1CC[NH2+]C2 ZINC001236355667 979550754 /nfs/dbraw/zinc/55/07/54/979550754.db2.gz ZXOZPOCLGMETRA-BZKLWIKRSA-N 2 2 214.312 2.208 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001182796456 979640895 /nfs/dbraw/zinc/64/08/95/979640895.db2.gz VIFBGQKALJPCQN-UNXYVOJBSA-N 2 2 244.329 2.248 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001182796456 979640904 /nfs/dbraw/zinc/64/09/04/979640904.db2.gz VIFBGQKALJPCQN-UNXYVOJBSA-N 2 2 244.329 2.248 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2ccn(C)c2c1 ZINC001236868918 979772988 /nfs/dbraw/zinc/77/29/88/979772988.db2.gz RHDKKKSFXGVTGO-AWEZNQCLSA-N 2 2 245.370 2.347 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ccn(C)c2c1 ZINC001236868918 979772996 /nfs/dbraw/zinc/77/29/96/979772996.db2.gz RHDKKKSFXGVTGO-AWEZNQCLSA-N 2 2 245.370 2.347 20 0 BEADLP CCc1cccc(C)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236908510 979791045 /nfs/dbraw/zinc/79/10/45/979791045.db2.gz JQAPXGHHCNBHRY-LBPRGKRZSA-N 2 2 220.360 2.336 20 0 BEADLP CCc1cccc(C)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236908510 979791055 /nfs/dbraw/zinc/79/10/55/979791055.db2.gz JQAPXGHHCNBHRY-LBPRGKRZSA-N 2 2 220.360 2.336 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2ncsc21 ZINC001236904509 979793770 /nfs/dbraw/zinc/79/37/70/979793770.db2.gz PYSHASUBBCGGIW-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ncsc21 ZINC001236904509 979793782 /nfs/dbraw/zinc/79/37/82/979793782.db2.gz PYSHASUBBCGGIW-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP CC/C=C\CCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101836 979816589 /nfs/dbraw/zinc/81/65/89/979816589.db2.gz LOGXAKLKQACLTB-OQOSRZTISA-N 2 2 240.391 2.171 20 0 BEADLP CC/C=C\CCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101836 979816591 /nfs/dbraw/zinc/81/65/91/979816591.db2.gz LOGXAKLKQACLTB-OQOSRZTISA-N 2 2 240.391 2.171 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237384784 979882870 /nfs/dbraw/zinc/88/28/70/979882870.db2.gz YFHQZPHYFDDBFJ-IUODEOHRSA-N 2 2 248.370 2.416 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237384784 979882876 /nfs/dbraw/zinc/88/28/76/979882876.db2.gz YFHQZPHYFDDBFJ-IUODEOHRSA-N 2 2 248.370 2.416 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1occc1OC ZINC001237871204 980103837 /nfs/dbraw/zinc/10/38/37/980103837.db2.gz VHUHINIOZJXOAQ-UHFFFAOYSA-N 2 2 249.314 2.007 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1occc1OC ZINC001237871204 980103850 /nfs/dbraw/zinc/10/38/50/980103850.db2.gz VHUHINIOZJXOAQ-UHFFFAOYSA-N 2 2 249.314 2.007 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+](C)CCC[NH+](C)C ZINC001238098794 980145911 /nfs/dbraw/zinc/14/59/11/980145911.db2.gz FNVGSYJYMUSGII-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP Cc1ccc(O)cc1C[N@H+](C)CCC[NH+](C)C ZINC001238098794 980145917 /nfs/dbraw/zinc/14/59/17/980145917.db2.gz FNVGSYJYMUSGII-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102632 980152495 /nfs/dbraw/zinc/15/24/95/980152495.db2.gz GEDZTWOTFLCKHO-MNOVXSKESA-N 2 2 233.290 2.267 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102632 980152497 /nfs/dbraw/zinc/15/24/97/980152497.db2.gz GEDZTWOTFLCKHO-MNOVXSKESA-N 2 2 233.290 2.267 20 0 BEADLP Cc1cc(N)[nH+]cc1CC[NH+]1CCCCC1 ZINC001250241100 980373917 /nfs/dbraw/zinc/37/39/17/980373917.db2.gz BYHZFFIUYLRJFY-UHFFFAOYSA-N 2 2 219.332 2.001 20 0 BEADLP c1cn2c(cccc2C2=CCC[NH2+]CC2)[nH+]1 ZINC001238940588 980378616 /nfs/dbraw/zinc/37/86/16/980378616.db2.gz DDMGANAHXUXQAF-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP Cc1c[nH+]c(C)c(Nc2[nH+]ccn2C)c1 ZINC001203654395 980477553 /nfs/dbraw/zinc/47/75/53/980477553.db2.gz INFSBFPKYIYDOT-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP Cc1cn2c(cccc2-c2cncc(C[NH3+])c2)[nH+]1 ZINC001239796519 980935482 /nfs/dbraw/zinc/93/54/82/980935482.db2.gz APPVCSZEYACYCP-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC001348515747 981380611 /nfs/dbraw/zinc/38/06/11/981380611.db2.gz OTWFGNJNJYXIEU-SNVBAGLBSA-N 2 2 241.404 2.354 20 0 BEADLP CNc1cc(-c2ccc3c(c2)CC[NH2+]C3)cc[nH+]1 ZINC001240458989 981392918 /nfs/dbraw/zinc/39/29/18/981392918.db2.gz UDXCMIQCNWTCER-UHFFFAOYSA-N 2 2 239.322 2.436 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CC[NH2+]CC1 ZINC001240468166 981403005 /nfs/dbraw/zinc/40/30/05/981403005.db2.gz ZCJHGRSSFBEIAV-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP c1cc(C2=CC[NH2+]CC2)cc(N2CCCCC2)[nH+]1 ZINC001240468435 981403122 /nfs/dbraw/zinc/40/31/22/981403122.db2.gz RIAKOIYRCNDZHE-UHFFFAOYSA-N 2 2 243.354 2.449 20 0 BEADLP c1cc(C2=CC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC001240468742 981406319 /nfs/dbraw/zinc/40/63/19/981406319.db2.gz XWMDBCNGZDENFU-UHFFFAOYSA-N 2 2 229.327 2.059 20 0 BEADLP [NH3+]Cc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240502953 981430299 /nfs/dbraw/zinc/43/02/99/981430299.db2.gz BVVAOCBUWREWKX-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1 ZINC001203789411 981590934 /nfs/dbraw/zinc/59/09/34/981590934.db2.gz XNHYVPAQTFSVEU-ZIAGYGMSSA-N 2 2 248.345 2.209 20 0 BEADLP c1cc(C[NH2+]C[C@H]2CC[NH2+]2)cc(C2CC2)c1 ZINC001580888312 981714174 /nfs/dbraw/zinc/71/41/74/981714174.db2.gz XSAONZRYQXUFHQ-CQSZACIVSA-N 2 2 216.328 2.016 20 0 BEADLP Cc1cn2cc(C=C3CC[NH2+]CC3)ccc2[nH+]1 ZINC001240877816 981929159 /nfs/dbraw/zinc/92/91/59/981929159.db2.gz JBRVDPVXAXMWBX-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccs2)C1 ZINC001205804110 982556527 /nfs/dbraw/zinc/55/65/27/982556527.db2.gz LSXWKFSGZPTEAY-MNOVXSKESA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccs2)C1 ZINC001205804110 982556533 /nfs/dbraw/zinc/55/65/33/982556533.db2.gz LSXWKFSGZPTEAY-MNOVXSKESA-N 2 2 224.373 2.307 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])ccc1O ZINC001205827018 982657619 /nfs/dbraw/zinc/65/76/19/982657619.db2.gz FNLVCFFXYBNUEG-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])ccc1O ZINC001205827018 982657628 /nfs/dbraw/zinc/65/76/28/982657628.db2.gz FNLVCFFXYBNUEG-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1c(O)cccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205828149 982665570 /nfs/dbraw/zinc/66/55/70/982665570.db2.gz JRNXMHHYXAYIAE-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1c(O)cccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205828149 982665574 /nfs/dbraw/zinc/66/55/74/982665574.db2.gz JRNXMHHYXAYIAE-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(C)[nH+]c(Nc2ccc(N)[nH+]c2)c1 ZINC001201272248 983173878 /nfs/dbraw/zinc/17/38/78/983173878.db2.gz KZACENWAIPOVAG-UHFFFAOYSA-N 2 2 214.272 2.419 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3)C[C@H]21 ZINC001201606094 983372839 /nfs/dbraw/zinc/37/28/39/983372839.db2.gz IJZYYHDXBSEGEN-HZPDHXFCSA-N 2 2 244.382 2.255 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001201606094 983372863 /nfs/dbraw/zinc/37/28/63/983372863.db2.gz IJZYYHDXBSEGEN-HZPDHXFCSA-N 2 2 244.382 2.255 20 0 BEADLP CCCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201735522 983470313 /nfs/dbraw/zinc/47/03/13/983470313.db2.gz UNPJCNDOUNVURT-UHFFFAOYSA-N 2 2 242.407 2.219 20 0 BEADLP C[NH2+]Cc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001242997058 984362242 /nfs/dbraw/zinc/36/22/42/984362242.db2.gz CEXKDYNUKIWNCP-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP CC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275086446 984479487 /nfs/dbraw/zinc/47/94/87/984479487.db2.gz MGMAGEILKYQRSO-UHFFFAOYSA-N 2 2 222.376 2.347 20 0 BEADLP CC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001275086446 984479494 /nfs/dbraw/zinc/47/94/94/984479494.db2.gz MGMAGEILKYQRSO-UHFFFAOYSA-N 2 2 222.376 2.347 20 0 BEADLP CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275084981 984480919 /nfs/dbraw/zinc/48/09/19/984480919.db2.gz KBZVQQDKVUUJNY-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275084981 984480930 /nfs/dbraw/zinc/48/09/30/984480930.db2.gz KBZVQQDKVUUJNY-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275084981 984480946 /nfs/dbraw/zinc/48/09/46/984480946.db2.gz KBZVQQDKVUUJNY-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275084981 984480957 /nfs/dbraw/zinc/48/09/57/984480957.db2.gz KBZVQQDKVUUJNY-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP Cn1c[nH+]cc1-c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001243069125 984486938 /nfs/dbraw/zinc/48/69/38/984486938.db2.gz AMGRCFUBHMJIBX-CYBMUJFWSA-N 2 2 227.311 2.164 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C[NH+]2CCC2)cc1 ZINC001243070005 984493997 /nfs/dbraw/zinc/49/39/97/984493997.db2.gz DRHQISALKCCDEP-UHFFFAOYSA-N 2 2 227.311 2.293 20 0 BEADLP CCc1ccccc1C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275439268 984564424 /nfs/dbraw/zinc/56/44/24/984564424.db2.gz SKDIUZOSIDQYNT-UHFFFAOYSA-N 2 2 244.382 2.387 20 0 BEADLP CCc1ccccc1C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275439268 984564431 /nfs/dbraw/zinc/56/44/31/984564431.db2.gz SKDIUZOSIDQYNT-UHFFFAOYSA-N 2 2 244.382 2.387 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccncc2)C1 ZINC001256720063 984600324 /nfs/dbraw/zinc/60/03/24/984600324.db2.gz AHMUEYAAZOEMLB-ZFWWWQNUSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccncc2)C1 ZINC001256720063 984600331 /nfs/dbraw/zinc/60/03/31/984600331.db2.gz AHMUEYAAZOEMLB-ZFWWWQNUSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC001256720055 984600607 /nfs/dbraw/zinc/60/06/07/984600607.db2.gz AHMUEYAAZOEMLB-UKRRQHHQSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC001256720055 984600623 /nfs/dbraw/zinc/60/06/23/984600623.db2.gz AHMUEYAAZOEMLB-UKRRQHHQSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H]1C[C@H](n2cc[nH+]c2CC[NH3+])C[C@@H](C)C1 ZINC000719345541 984633981 /nfs/dbraw/zinc/63/39/81/984633981.db2.gz JJPYPQGZGUBURQ-GDNZZTSVSA-N 2 2 221.348 2.382 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H](CCOC)c1ccccc1 ZINC001577720901 984670044 /nfs/dbraw/zinc/67/00/44/984670044.db2.gz AOJUHHWSVWLFEK-CQSZACIVSA-N 2 2 236.359 2.045 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H](CCOC)c1ccccc1 ZINC001577720901 984670083 /nfs/dbraw/zinc/67/00/83/984670083.db2.gz AOJUHHWSVWLFEK-CQSZACIVSA-N 2 2 236.359 2.045 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])o1 ZINC001578179564 984866647 /nfs/dbraw/zinc/86/66/47/984866647.db2.gz POZDZIQWBRYLDN-VXGBXAGGSA-N 2 2 238.331 2.038 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC001257664411 985245103 /nfs/dbraw/zinc/24/51/03/985245103.db2.gz PKQXGXXNHSPEOB-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC001257664411 985245118 /nfs/dbraw/zinc/24/51/18/985245118.db2.gz PKQXGXXNHSPEOB-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1nccc2c1CCCC2 ZINC001578687554 985299086 /nfs/dbraw/zinc/29/90/86/985299086.db2.gz XYIBBVBFBPOGIP-UHFFFAOYSA-N 2 2 247.386 2.002 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1nccc2c1CCCC2 ZINC001578687554 985299098 /nfs/dbraw/zinc/29/90/98/985299098.db2.gz XYIBBVBFBPOGIP-UHFFFAOYSA-N 2 2 247.386 2.002 20 0 BEADLP Cc1cc(C)cc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579579255 986092589 /nfs/dbraw/zinc/09/25/89/986092589.db2.gz BJQUTCUQJYRQDZ-JKSUJKDBSA-N 2 2 244.382 2.140 20 0 BEADLP Cc1cc(C)cc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC001579579255 986092604 /nfs/dbraw/zinc/09/26/04/986092604.db2.gz BJQUTCUQJYRQDZ-JKSUJKDBSA-N 2 2 244.382 2.140 20 0 BEADLP Cc1ccc(F)c(C[N@@H+](C)C[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC001579705980 986185246 /nfs/dbraw/zinc/18/52/46/986185246.db2.gz JOYIPPRTWMDAIZ-HIFRSBDPSA-N 2 2 248.345 2.175 20 0 BEADLP Cc1ccc(F)c(C[N@H+](C)C[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC001579705980 986185260 /nfs/dbraw/zinc/18/52/60/986185260.db2.gz JOYIPPRTWMDAIZ-HIFRSBDPSA-N 2 2 248.345 2.175 20 0 BEADLP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[NH2+][C@@H]3C)cc21 ZINC001579776372 986220563 /nfs/dbraw/zinc/22/05/63/986220563.db2.gz PTQNFFYQFIXNBP-RISCZKNCSA-N 2 2 243.354 2.316 20 0 BEADLP CNc1cc(-c2ccccc2CC[NH3+])cc[nH+]1 ZINC001244975597 986556971 /nfs/dbraw/zinc/55/69/71/986556971.db2.gz HWNVFVYJKYCGKP-UHFFFAOYSA-N 2 2 227.311 2.292 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001254515992 986651582 /nfs/dbraw/zinc/65/15/82/986651582.db2.gz IJEOJKKHVIGMHM-AVGNSLFASA-N 2 2 246.345 2.243 20 0 BEADLP C[N@H+]1CCC[C@H]([NH+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001254515992 986651595 /nfs/dbraw/zinc/65/15/95/986651595.db2.gz IJEOJKKHVIGMHM-AVGNSLFASA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001254515992 986651611 /nfs/dbraw/zinc/65/16/11/986651611.db2.gz IJEOJKKHVIGMHM-AVGNSLFASA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001254515992 986651627 /nfs/dbraw/zinc/65/16/27/986651627.db2.gz IJEOJKKHVIGMHM-AVGNSLFASA-N 2 2 246.345 2.243 20 0 BEADLP [NH3+]CC[C@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)C(F)F ZINC001580284912 986730835 /nfs/dbraw/zinc/73/08/35/986730835.db2.gz XMJDMALTHWEKRV-NAKRPEOUSA-N 2 2 232.318 2.137 20 0 BEADLP c1cn([C@H]2CCSC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001255290938 986894477 /nfs/dbraw/zinc/89/44/77/986894477.db2.gz NVTWPQYSZIKFMG-QWRGUYRKSA-N 2 2 237.372 2.028 20 0 BEADLP Cc1cc(-c2cccc3c2C[NH2+]C3)c[nH+]c1N ZINC001245538500 986920576 /nfs/dbraw/zinc/92/05/76/986920576.db2.gz MEPJZPCCNAVCJQ-UHFFFAOYSA-N 2 2 225.295 2.242 20 0 BEADLP Cc1cc(-c2cccc3c2C[NH2+]CC3)c[nH+]c1N ZINC001245539196 986925015 /nfs/dbraw/zinc/92/50/15/986925015.db2.gz UGSMWWDHONJFAJ-UHFFFAOYSA-N 2 2 239.322 2.285 20 0 BEADLP Cc1cc(-c2ccncc2C[NH3+])cn2cc[nH+]c12 ZINC001245557936 986945043 /nfs/dbraw/zinc/94/50/43/986945043.db2.gz OVZWEYHKNOFJLP-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP c1[nH+]cn2cc(-c3cc[nH+]c4c3CCN4)ccc12 ZINC001245900158 987128862 /nfs/dbraw/zinc/12/88/62/987128862.db2.gz RMUYGPHNDVQPAW-UHFFFAOYSA-N 2 2 236.278 2.364 20 0 BEADLP CS[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000689761156 987189031 /nfs/dbraw/zinc/18/90/31/987189031.db2.gz AWSOSONYASPISK-PWSUYJOCSA-N 2 2 239.388 2.102 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246080302 987371237 /nfs/dbraw/zinc/37/12/37/987371237.db2.gz FCPMSEAPHQIJAC-SDDRHHMPSA-N 2 2 216.344 2.101 20 0 BEADLP CC1(C)CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246080238 987374108 /nfs/dbraw/zinc/37/41/08/987374108.db2.gz DXLNSCBDKVTRLF-NWDGAFQWSA-N 2 2 228.355 2.245 20 0 BEADLP CCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088807 987390678 /nfs/dbraw/zinc/39/06/78/987390678.db2.gz XPQYRRAGRLDVPF-TUAOUCFPSA-N 2 2 216.344 2.245 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090733 987399246 /nfs/dbraw/zinc/39/92/46/987399246.db2.gz YOSLBPYGJHCCKA-MELADBBJSA-N 2 2 242.407 2.169 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246091575 987399968 /nfs/dbraw/zinc/39/99/68/987399968.db2.gz DSVINJBQTZEMJQ-MJBXVCDLSA-N 2 2 242.407 2.169 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246093365 987402863 /nfs/dbraw/zinc/40/28/63/987402863.db2.gz VVYACZZIDAXJTI-IUCAKERBSA-N 2 2 224.270 2.059 20 0 BEADLP CCCC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246093542 987403068 /nfs/dbraw/zinc/40/30/68/987403068.db2.gz OIWDXBHQUYEOGV-UONOGXRCSA-N 2 2 242.407 2.169 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246100595 987417532 /nfs/dbraw/zinc/41/75/32/987417532.db2.gz NHHPMOLMNPNQGL-MELADBBJSA-N 2 2 242.407 2.048 20 0 BEADLP CC[C@H]1CC[N@H+](CCn2cc[nH+]c2C)[C@H]1C ZINC001473403592 987427720 /nfs/dbraw/zinc/42/77/20/987427720.db2.gz VQMMSPNWYJKFDA-AAEUAGOBSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)[C@H]1C ZINC001473403592 987427723 /nfs/dbraw/zinc/42/77/23/987427723.db2.gz VQMMSPNWYJKFDA-AAEUAGOBSA-N 2 2 221.348 2.312 20 0 BEADLP C[C@H]1CC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@H](C)C1 ZINC001246105940 987433485 /nfs/dbraw/zinc/43/34/85/987433485.db2.gz DGWYCABEEMPUDC-UZWSLXQKSA-N 2 2 228.355 2.101 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246118859 987462713 /nfs/dbraw/zinc/46/27/13/987462713.db2.gz BKDFTNXQDZEWMJ-MELADBBJSA-N 2 2 242.407 2.441 20 0 BEADLP CCc1ccc(C[C@@H](C)[NH2+][C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001246148358 987506190 /nfs/dbraw/zinc/50/61/90/987506190.db2.gz MPDYSJHLUMWUSS-KCXAZCMYSA-N 2 2 244.382 2.132 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+][C@@H](C)C2)c(C)c1 ZINC001246184997 987562212 /nfs/dbraw/zinc/56/22/12/987562212.db2.gz PVEKLKNTWKTWLO-UONOGXRCSA-N 2 2 232.371 2.452 20 0 BEADLP c1ccc(CC2([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246194066 987587223 /nfs/dbraw/zinc/58/72/23/987587223.db2.gz YZWGMBZMSMYKGX-AWEZNQCLSA-N 2 2 230.355 2.103 20 0 BEADLP c1cc2cc(C[NH2+][C@H]3CCCC[NH2+]C3)ccc2[nH]1 ZINC001246231882 987628583 /nfs/dbraw/zinc/62/85/83/987628583.db2.gz TVDNUXUAROIXRQ-AWEZNQCLSA-N 2 2 243.354 2.400 20 0 BEADLP Fc1cccc(C[NH2+]C2CC[NH2+]CC2)c1Cl ZINC001246230884 987629857 /nfs/dbraw/zinc/62/98/57/987629857.db2.gz AIGINRSJOZDVJW-UHFFFAOYSA-N 2 2 242.725 2.321 20 0 BEADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238609 987639655 /nfs/dbraw/zinc/63/96/55/987639655.db2.gz GEVWCOPVVRKUHY-RDBSUJKOSA-N 2 2 242.407 2.168 20 0 BEADLP Fc1ccc([C@@H]2C[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246281786 987674487 /nfs/dbraw/zinc/67/44/87/987674487.db2.gz PPAQCZYUPZGEOI-IHRRRGAJSA-N 2 2 234.318 2.023 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccncc2)C2CC2)C[NH2+]1 ZINC001246281411 987675161 /nfs/dbraw/zinc/67/51/61/987675161.db2.gz UXXWPXUMOALPRV-KCPJHIHWSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(N)cc1 ZINC001246291270 987682942 /nfs/dbraw/zinc/68/29/42/987682942.db2.gz TUHWTVFAMJHBHK-JTNHKYCSSA-N 2 2 233.359 2.060 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1N ZINC001246293630 987686795 /nfs/dbraw/zinc/68/67/95/987686795.db2.gz TYXKXLVNYNZEBK-UTUOFQBUSA-N 2 2 233.359 2.060 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CSCC[NH2+]2)C[C@@H]1C ZINC001246337273 987744792 /nfs/dbraw/zinc/74/47/92/987744792.db2.gz QRYMRHZMRGJPSM-VOAKCMCISA-N 2 2 242.432 2.106 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CSCC[NH2+]2)C[C@@H](C)C1 ZINC001246335892 987746449 /nfs/dbraw/zinc/74/64/49/987746449.db2.gz JXFYJJOZVJLMHY-LOWDOPEQSA-N 2 2 242.432 2.106 20 0 BEADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CS2 ZINC001246360975 987768000 /nfs/dbraw/zinc/76/80/00/987768000.db2.gz YFVOJMHAXNHZEV-OLZOCXBDSA-N 2 2 248.395 2.045 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+]CC[NH2+]CCO ZINC001246377533 987774668 /nfs/dbraw/zinc/77/46/68/987774668.db2.gz GACAQBBNJRVLDA-CQSZACIVSA-N 2 2 244.423 2.297 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)Cc2ccncc2)C[NH2+]1 ZINC001246408995 987787701 /nfs/dbraw/zinc/78/77/01/987787701.db2.gz UGDSRWFRVFNCCX-TZMCWYRMSA-N 2 2 247.386 2.133 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cnccc32)C[NH2+]1 ZINC001246461102 987820921 /nfs/dbraw/zinc/82/09/21/987820921.db2.gz CMUXXVNGKSIJRN-OSAQELSMSA-N 2 2 245.370 2.189 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3sccc32)C[NH2+]1 ZINC001246478160 987834065 /nfs/dbraw/zinc/83/40/65/987834065.db2.gz LRROKOXPBVEPJQ-JFGNBEQYSA-N 2 2 236.384 2.466 20 0 BEADLP FC(F)(F)c1ccc(C[NH2+]C2CC[NH2+]CC2)o1 ZINC001246494840 987850405 /nfs/dbraw/zinc/85/04/05/987850405.db2.gz LRRCHNPJJDIOSW-UHFFFAOYSA-N 2 2 248.248 2.140 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)CCO1 ZINC001246506467 987859023 /nfs/dbraw/zinc/85/90/23/987859023.db2.gz HIRZNMCIRBIGGI-RRFJBIMHSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246552279 987949297 /nfs/dbraw/zinc/94/92/97/987949297.db2.gz XQVVSJUOJNKHAG-IXPVHAAZSA-N 2 2 248.345 2.105 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246552279 987949307 /nfs/dbraw/zinc/94/93/07/987949307.db2.gz XQVVSJUOJNKHAG-IXPVHAAZSA-N 2 2 248.345 2.105 20 0 BEADLP CCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246562007 987994382 /nfs/dbraw/zinc/99/43/82/987994382.db2.gz XXLCNEUKRUFFFX-MGPQQGTHSA-N 2 2 242.407 2.129 20 0 BEADLP CCCCCC[C@@H](CCC)[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246562007 987994406 /nfs/dbraw/zinc/99/44/06/987994406.db2.gz XXLCNEUKRUFFFX-MGPQQGTHSA-N 2 2 242.407 2.129 20 0 BEADLP [NH3+][C@@H]1C[C@H](F)C[N@@H+](C2CCCCCCC2)C1 ZINC001246574777 988084128 /nfs/dbraw/zinc/08/41/28/988084128.db2.gz BIEWMDXMHIEQCN-NWDGAFQWSA-N 2 2 228.355 2.470 20 0 BEADLP [NH3+][C@@H]1C[C@H](F)C[N@H+](C2CCCCCCC2)C1 ZINC001246574777 988084144 /nfs/dbraw/zinc/08/41/44/988084144.db2.gz BIEWMDXMHIEQCN-NWDGAFQWSA-N 2 2 228.355 2.470 20 0 BEADLP [NH3+][C@H]1C[C@H](F)C[N@@H+](C2CCCCCCC2)C1 ZINC001246574780 988085159 /nfs/dbraw/zinc/08/51/59/988085159.db2.gz BIEWMDXMHIEQCN-RYUDHWBXSA-N 2 2 228.355 2.470 20 0 BEADLP [NH3+][C@H]1C[C@H](F)C[N@H+](C2CCCCCCC2)C1 ZINC001246574780 988085175 /nfs/dbraw/zinc/08/51/75/988085175.db2.gz BIEWMDXMHIEQCN-RYUDHWBXSA-N 2 2 228.355 2.470 20 0 BEADLP CCCC(CCC)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246576954 988096070 /nfs/dbraw/zinc/09/60/70/988096070.db2.gz QGPIGEMRTIBCAY-QWRGUYRKSA-N 2 2 216.344 2.326 20 0 BEADLP CCCC(CCC)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246576954 988096085 /nfs/dbraw/zinc/09/60/85/988096085.db2.gz QGPIGEMRTIBCAY-QWRGUYRKSA-N 2 2 216.344 2.326 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001246582136 988117596 /nfs/dbraw/zinc/11/75/96/988117596.db2.gz QYKVFCQWLJZTIK-NEPJUHHUSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001246582136 988117629 /nfs/dbraw/zinc/11/76/29/988117629.db2.gz QYKVFCQWLJZTIK-NEPJUHHUSA-N 2 2 246.395 2.035 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C[C@@H]1C ZINC001246589316 988152201 /nfs/dbraw/zinc/15/22/01/988152201.db2.gz ZNEWKSBJNPATQQ-MLGHIDQZSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H](F)C2)C[C@@H]1C ZINC001246589316 988152220 /nfs/dbraw/zinc/15/22/20/988152220.db2.gz ZNEWKSBJNPATQQ-MLGHIDQZSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2C[C@H](F)C[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC001246589196 988155708 /nfs/dbraw/zinc/15/57/08/988155708.db2.gz ZKIJVBKQTWDKLX-FHUSYTEZSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2C[C@H](F)C[C@H]([NH3+])C2)C[C@@H](C)C1 ZINC001246589196 988155722 /nfs/dbraw/zinc/15/57/22/988155722.db2.gz ZKIJVBKQTWDKLX-FHUSYTEZSA-N 2 2 228.355 2.182 20 0 BEADLP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001246634377 988316968 /nfs/dbraw/zinc/31/69/68/988316968.db2.gz NBLRPAXAKYJHGL-CWRNSKLLSA-N 2 2 244.382 2.362 20 0 BEADLP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001246634377 988316980 /nfs/dbraw/zinc/31/69/80/988316980.db2.gz NBLRPAXAKYJHGL-CWRNSKLLSA-N 2 2 244.382 2.362 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797624 988481843 /nfs/dbraw/zinc/48/18/43/988481843.db2.gz UTMUMNHTOZFRIQ-MGPQQGTHSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797624 988481853 /nfs/dbraw/zinc/48/18/53/988481853.db2.gz UTMUMNHTOZFRIQ-MGPQQGTHSA-N 2 2 245.370 2.011 20 0 BEADLP CCc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC001246814829 988499630 /nfs/dbraw/zinc/49/96/30/988499630.db2.gz UTLDUHXJAGJUAN-XJKSGUPXSA-N 2 2 246.398 2.474 20 0 BEADLP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC001246814829 988499641 /nfs/dbraw/zinc/49/96/41/988499641.db2.gz UTLDUHXJAGJUAN-XJKSGUPXSA-N 2 2 246.398 2.474 20 0 BEADLP Fc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246826780 988518317 /nfs/dbraw/zinc/51/83/17/988518317.db2.gz XVWZGGGHYFLYQC-FUNVUKJBSA-N 2 2 246.329 2.424 20 0 BEADLP Fc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246826780 988518333 /nfs/dbraw/zinc/51/83/33/988518333.db2.gz XVWZGGGHYFLYQC-FUNVUKJBSA-N 2 2 246.329 2.424 20 0 BEADLP Fc1ccc([C@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848252 988566748 /nfs/dbraw/zinc/56/67/48/988566748.db2.gz NDKZZFNUELXDKZ-DZGCQCFKSA-N 2 2 248.345 2.367 20 0 BEADLP Fc1ccc([C@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848252 988566756 /nfs/dbraw/zinc/56/67/56/988566756.db2.gz NDKZZFNUELXDKZ-DZGCQCFKSA-N 2 2 248.345 2.367 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246859280 988591555 /nfs/dbraw/zinc/59/15/55/988591555.db2.gz JCWBCMKCAGATLQ-UXIGCNINSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246859280 988591572 /nfs/dbraw/zinc/59/15/72/988591572.db2.gz JCWBCMKCAGATLQ-UXIGCNINSA-N 2 2 248.345 2.180 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001323767962 988600841 /nfs/dbraw/zinc/60/08/41/988600841.db2.gz LOLFTCXXPTXTNS-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001323767962 988600848 /nfs/dbraw/zinc/60/08/48/988600848.db2.gz LOLFTCXXPTXTNS-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001323767962 988600868 /nfs/dbraw/zinc/60/08/68/988600868.db2.gz LOLFTCXXPTXTNS-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001323767962 988600884 /nfs/dbraw/zinc/60/08/84/988600884.db2.gz LOLFTCXXPTXTNS-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880252 988651862 /nfs/dbraw/zinc/65/18/62/988651862.db2.gz ILURARKZKKOXTQ-ABAIWWIYSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+]2CCc3cc(F)ccc3C2)CC[NH2+]1 ZINC001246880252 988651868 /nfs/dbraw/zinc/65/18/68/988651868.db2.gz ILURARKZKKOXTQ-ABAIWWIYSA-N 2 2 248.345 2.324 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246920629 988728350 /nfs/dbraw/zinc/72/83/50/988728350.db2.gz QDZVVTLBVVZSMD-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246920629 988728381 /nfs/dbraw/zinc/72/83/81/988728381.db2.gz QDZVVTLBVVZSMD-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246920633 988731557 /nfs/dbraw/zinc/73/15/57/988731557.db2.gz QDZVVTLBVVZSMD-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246920633 988731579 /nfs/dbraw/zinc/73/15/79/988731579.db2.gz QDZVVTLBVVZSMD-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@@H]1CCCO1 ZINC001119733197 989374478 /nfs/dbraw/zinc/37/44/78/989374478.db2.gz ZGIOHSSKZXEFMJ-YPMHNXCESA-N 2 2 237.347 2.074 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001326304739 989473522 /nfs/dbraw/zinc/47/35/22/989473522.db2.gz GJXZPDCBOJTADB-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001326304739 989473540 /nfs/dbraw/zinc/47/35/40/989473540.db2.gz GJXZPDCBOJTADB-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001326304739 989473551 /nfs/dbraw/zinc/47/35/51/989473551.db2.gz GJXZPDCBOJTADB-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001326304739 989473562 /nfs/dbraw/zinc/47/35/62/989473562.db2.gz GJXZPDCBOJTADB-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001326304742 989475704 /nfs/dbraw/zinc/47/57/04/989475704.db2.gz GJXZPDCBOJTADB-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001326304742 989475709 /nfs/dbraw/zinc/47/57/09/989475709.db2.gz GJXZPDCBOJTADB-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001326304742 989475717 /nfs/dbraw/zinc/47/57/17/989475717.db2.gz GJXZPDCBOJTADB-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001326304742 989475727 /nfs/dbraw/zinc/47/57/27/989475727.db2.gz GJXZPDCBOJTADB-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCCSC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001120022014 989563546 /nfs/dbraw/zinc/56/35/46/989563546.db2.gz WOFPQNZAVGGWNU-LBPRGKRZSA-N 2 2 241.404 2.395 20 0 BEADLP c1ccc(NCCCCNc2cc[nH+]cc2)[nH+]c1 ZINC001120779215 989874822 /nfs/dbraw/zinc/87/48/22/989874822.db2.gz FAAHHSSOIMUODI-UHFFFAOYSA-N 2 2 242.326 2.203 20 0 BEADLP Cc1cc(F)cc(NC2CC[NH+](C)CC2)[nH+]1 ZINC001120798120 989888010 /nfs/dbraw/zinc/88/80/10/989888010.db2.gz OVPKJEYPKUFNMI-UHFFFAOYSA-N 2 2 223.295 2.035 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258205849 991123079 /nfs/dbraw/zinc/12/30/79/991123079.db2.gz ASQGPGFPEMUAMC-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258205849 991123084 /nfs/dbraw/zinc/12/30/84/991123084.db2.gz ASQGPGFPEMUAMC-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC001308868413 991190449 /nfs/dbraw/zinc/19/04/49/991190449.db2.gz ODRVOEFQBQZDKX-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC001308868413 991190452 /nfs/dbraw/zinc/19/04/52/991190452.db2.gz ODRVOEFQBQZDKX-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258325891 991251160 /nfs/dbraw/zinc/25/11/60/991251160.db2.gz GBNDLAOEWDQBSL-JTQLQIEISA-N 2 2 230.421 2.058 20 0 BEADLP CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560137259 991391336 /nfs/dbraw/zinc/39/13/36/991391336.db2.gz ZQOGBWQWDJRLHV-FRRDWIJNSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560137259 991391347 /nfs/dbraw/zinc/39/13/47/991391347.db2.gz ZQOGBWQWDJRLHV-FRRDWIJNSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001560137259 991391352 /nfs/dbraw/zinc/39/13/52/991391352.db2.gz ZQOGBWQWDJRLHV-FRRDWIJNSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001560137259 991391358 /nfs/dbraw/zinc/39/13/58/991391358.db2.gz ZQOGBWQWDJRLHV-FRRDWIJNSA-N 2 2 210.365 2.344 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258453929 991402681 /nfs/dbraw/zinc/40/26/81/991402681.db2.gz HAAMQMQEHWTEJM-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258453929 991402685 /nfs/dbraw/zinc/40/26/85/991402685.db2.gz HAAMQMQEHWTEJM-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)CC1CC1)C2 ZINC001258465048 991426263 /nfs/dbraw/zinc/42/62/63/991426263.db2.gz MVANUNYFXLYUGU-JTQLQIEISA-N 2 2 219.332 2.196 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258465048 991426268 /nfs/dbraw/zinc/42/62/68/991426268.db2.gz MVANUNYFXLYUGU-JTQLQIEISA-N 2 2 219.332 2.196 20 0 BEADLP CC1(C)CC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258594709 991492164 /nfs/dbraw/zinc/49/21/64/991492164.db2.gz MNNJYWVRIBPBPE-JTQLQIEISA-N 2 2 207.321 2.136 20 0 BEADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001258652218 991584580 /nfs/dbraw/zinc/58/45/80/991584580.db2.gz QDUWOTJESXXHSD-BFHYXJOUSA-N 2 2 218.344 2.087 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@@H]3CCCC[C@H]13)CC2 ZINC001560772577 991593354 /nfs/dbraw/zinc/59/33/54/991593354.db2.gz AYQCKZSGMAPTNZ-RFQIPJPRSA-N 2 2 245.370 2.366 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001561043969 991700197 /nfs/dbraw/zinc/70/01/97/991700197.db2.gz OBAZIACCHCTQIY-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001561043969 991700212 /nfs/dbraw/zinc/70/02/12/991700212.db2.gz OBAZIACCHCTQIY-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001258777366 991745814 /nfs/dbraw/zinc/74/58/14/991745814.db2.gz SFMDYXGBYZDVGB-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP CCC[NH+]1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001258777366 991745825 /nfs/dbraw/zinc/74/58/25/991745825.db2.gz SFMDYXGBYZDVGB-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001261297813 992258226 /nfs/dbraw/zinc/25/82/26/992258226.db2.gz PHAYISNJMVZJBR-ZIAGYGMSSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001261297813 992258238 /nfs/dbraw/zinc/25/82/38/992258238.db2.gz PHAYISNJMVZJBR-ZIAGYGMSSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@]1([NH2+]Cc2ccc(C3CC3)cc2)CC[NH2+]C1 ZINC001573626775 992653552 /nfs/dbraw/zinc/65/35/52/992653552.db2.gz SDRCYNCQIDRYFN-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC001574979913 992958834 /nfs/dbraw/zinc/95/88/34/992958834.db2.gz NDHPQTHQNJDQOR-KIWPFMIBSA-N 2 2 218.344 2.369 20 0 BEADLP C/C(=C/c1ccccc1)C[N@H+](C)C[C@@H](C)[NH3+] ZINC001574979913 992958846 /nfs/dbraw/zinc/95/88/46/992958846.db2.gz NDHPQTHQNJDQOR-KIWPFMIBSA-N 2 2 218.344 2.369 20 0 BEADLP CC(C)c1cccc(C[NH2+]C[C@@H]2CC[NH2+]2)c1 ZINC001575859584 993115023 /nfs/dbraw/zinc/11/50/23/993115023.db2.gz CWBOAAURLSPHAT-AWEZNQCLSA-N 2 2 218.344 2.262 20 0 BEADLP C[NH+]1CC(C[NH2+]C2CCC(C)(C)CC2)C1 ZINC000379460230 993241763 /nfs/dbraw/zinc/24/17/63/993241763.db2.gz RNPBKYDXPWGLGE-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH+]1CC(C[NH2+]C2CCCCCCC2)C1 ZINC000379451773 993245433 /nfs/dbraw/zinc/24/54/33/993245433.db2.gz KYJVWXISYCCQIV-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C/C=C/C2CC2)C[N@@H+]1C1CC1 ZINC000382310324 993449124 /nfs/dbraw/zinc/44/91/24/993449124.db2.gz PXABLLWFGHZUAK-KTTDLOKESA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C/C=C/C2CC2)C[N@H+]1C1CC1 ZINC000382310324 993449129 /nfs/dbraw/zinc/44/91/29/993449129.db2.gz PXABLLWFGHZUAK-KTTDLOKESA-N 2 2 220.360 2.167 20 0 BEADLP C1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000386954095 993698902 /nfs/dbraw/zinc/69/89/02/993698902.db2.gz XIXJHKJIJLIRQL-NWDGAFQWSA-N 2 2 208.349 2.051 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000389444807 993749553 /nfs/dbraw/zinc/74/95/53/993749553.db2.gz OUFBVVNXLNBDQB-MELADBBJSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000389444807 993749561 /nfs/dbraw/zinc/74/95/61/993749561.db2.gz OUFBVVNXLNBDQB-MELADBBJSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000725327800 994099984 /nfs/dbraw/zinc/09/99/84/994099984.db2.gz OUPOBONEBFRSPF-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000725327800 994100000 /nfs/dbraw/zinc/10/00/00/994100000.db2.gz OUPOBONEBFRSPF-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000725327800 994100017 /nfs/dbraw/zinc/10/00/17/994100017.db2.gz OUPOBONEBFRSPF-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000725327800 994100039 /nfs/dbraw/zinc/10/00/39/994100039.db2.gz OUPOBONEBFRSPF-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP c1csc(C[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC001620964702 1170176143 /nfs/dbraw/zinc/17/61/43/1170176143.db2.gz BZVPBNKUNCRMHT-UHFFFAOYSA-N 2 2 244.323 2.081 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027995 1171163939 /nfs/dbraw/zinc/16/39/39/1171163939.db2.gz FJTXLJDCYYLIRG-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027995 1171163942 /nfs/dbraw/zinc/16/39/42/1171163942.db2.gz FJTXLJDCYYLIRG-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000677985068 488169761 /nfs/dbraw/zinc/16/97/61/488169761.db2.gz XZQJILIVMNCNJC-CYBMUJFWSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000677985068 488169766 /nfs/dbraw/zinc/16/97/66/488169766.db2.gz XZQJILIVMNCNJC-CYBMUJFWSA-N 2 2 219.332 2.066 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000313250894 398144455 /nfs/dbraw/zinc/14/44/55/398144455.db2.gz FBHGLOAMQNDAHH-GFCCVEGCSA-N 2 2 221.348 2.131 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000161615125 349476996 /nfs/dbraw/zinc/47/69/96/349476996.db2.gz KLZGUIAFNOXADE-NEPJUHHUSA-N 2 2 236.359 2.414 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000161615125 349476998 /nfs/dbraw/zinc/47/69/98/349476998.db2.gz KLZGUIAFNOXADE-NEPJUHHUSA-N 2 2 236.359 2.414 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155649134 136213360 /nfs/dbraw/zinc/21/33/60/136213360.db2.gz BIPJIIBPRYXAPE-HNNXBMFYSA-N 2 2 241.338 2.469 20 0 BEADLP c1cncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188413 349500745 /nfs/dbraw/zinc/50/07/45/349500745.db2.gz XGHLDMQTFVTXPY-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188413 349500749 /nfs/dbraw/zinc/50/07/49/349500749.db2.gz XGHLDMQTFVTXPY-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188412 349501014 /nfs/dbraw/zinc/50/10/14/349501014.db2.gz XGHLDMQTFVTXPY-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188412 349501015 /nfs/dbraw/zinc/50/10/15/349501015.db2.gz XGHLDMQTFVTXPY-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc(C)c1O ZINC000221154315 178021919 /nfs/dbraw/zinc/02/19/19/178021919.db2.gz GZMNOOVRZQESJZ-AWEZNQCLSA-N 2 2 248.370 2.193 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(C)c1O ZINC000221154315 178021921 /nfs/dbraw/zinc/02/19/21/178021921.db2.gz GZMNOOVRZQESJZ-AWEZNQCLSA-N 2 2 248.370 2.193 20 0 BEADLP FC1(F)CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000389990697 398154637 /nfs/dbraw/zinc/15/46/37/398154637.db2.gz FSQPPSBDQSMZFE-UHFFFAOYSA-N 2 2 243.301 2.441 20 0 BEADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)cs1 ZINC000292698188 178020998 /nfs/dbraw/zinc/02/09/98/178020998.db2.gz NMLNROLTTMQPKQ-UHFFFAOYSA-N 2 2 235.356 2.433 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccs1 ZINC000313277440 398180150 /nfs/dbraw/zinc/18/01/50/398180150.db2.gz AKSBEBKPEJCSNR-JTQLQIEISA-N 2 2 235.356 2.375 20 0 BEADLP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415096576 398161644 /nfs/dbraw/zinc/16/16/44/398161644.db2.gz BMKUVXSFHJKGOU-CQSZACIVSA-N 2 2 244.382 2.368 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(F)c1F ZINC000423021859 398162145 /nfs/dbraw/zinc/16/21/45/398162145.db2.gz GJKOQHOMOBFCRJ-DTWKUNHWSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(F)c1F ZINC000423021861 398162343 /nfs/dbraw/zinc/16/23/43/398162343.db2.gz GJKOQHOMOBFCRJ-RKDXNWHRSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233397 398165185 /nfs/dbraw/zinc/16/51/85/398165185.db2.gz JSRYUZYNDHKVRL-ZLDLUXBVSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747142 398190400 /nfs/dbraw/zinc/19/04/00/398190400.db2.gz RURVMIPOHKFHAO-MBNYWOFBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747142 398190403 /nfs/dbraw/zinc/19/04/03/398190403.db2.gz RURVMIPOHKFHAO-MBNYWOFBSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[C@@H](C[NH2+][C@@H](CC(C)C)C[NH+](C)C)OC ZINC000386168145 398199578 /nfs/dbraw/zinc/19/95/78/398199578.db2.gz WARVGZQIOCBUEO-KBPBESRZSA-N 2 2 244.423 2.367 20 0 BEADLP Cc1cc([NH+](C)C)ccc1NCc1c[nH+]cn1C ZINC000090165386 178095164 /nfs/dbraw/zinc/09/51/64/178095164.db2.gz VRDBIYXWOLPBCG-UHFFFAOYSA-N 2 2 244.342 2.407 20 0 BEADLP CO[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000386019427 398194317 /nfs/dbraw/zinc/19/43/17/398194317.db2.gz WTBXCPICGMRBOM-HUUCEWRRSA-N 2 2 248.370 2.187 20 0 BEADLP CO[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000386019427 398194319 /nfs/dbraw/zinc/19/43/19/398194319.db2.gz WTBXCPICGMRBOM-HUUCEWRRSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000368719683 178113807 /nfs/dbraw/zinc/11/38/07/178113807.db2.gz RCMYAHBCCAQEBJ-LLVKDONJSA-N 2 2 243.314 2.158 20 0 BEADLP Cc1cc(NC(=O)CC2CC[NH+](C)CC2)cc[nH+]1 ZINC000074921065 178126899 /nfs/dbraw/zinc/12/68/99/178126899.db2.gz SUIIFQRCODNIKJ-UHFFFAOYSA-N 2 2 247.342 2.060 20 0 BEADLP Cc1cc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc[nH+]1 ZINC000261555947 178134949 /nfs/dbraw/zinc/13/49/49/178134949.db2.gz BSUVVLQWWLXKQY-YPMHNXCESA-N 2 2 247.342 2.236 20 0 BEADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccncc1 ZINC000649420209 398219414 /nfs/dbraw/zinc/21/94/14/398219414.db2.gz NGYPGSLIILKQHE-CIQGVGRVSA-N 2 2 233.359 2.119 20 0 BEADLP C[NH2+]CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000576386335 365581326 /nfs/dbraw/zinc/58/13/26/365581326.db2.gz CHMUEXIZKCNBJH-CQSZACIVSA-N 2 2 218.344 2.337 20 0 BEADLP Cc1cc(NCCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000037714932 178159432 /nfs/dbraw/zinc/15/94/32/178159432.db2.gz KLKRLKBNGVZEBY-UHFFFAOYSA-N 2 2 222.336 2.059 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccncc1 ZINC000649420212 398219643 /nfs/dbraw/zinc/21/96/43/398219643.db2.gz NGYPGSLIILKQHE-ZJQBRPOHSA-N 2 2 233.359 2.119 20 0 BEADLP Cc1cc(N[C@H](C)C[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000042253344 178185954 /nfs/dbraw/zinc/18/59/54/178185954.db2.gz IMVXLOSJUXVMLJ-GFCCVEGCSA-N 2 2 248.374 2.380 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000576436536 365594789 /nfs/dbraw/zinc/59/47/89/365594789.db2.gz SQWYABUQIBUGEW-WFASDCNBSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000576436536 365594793 /nfs/dbraw/zinc/59/47/93/365594793.db2.gz SQWYABUQIBUGEW-WFASDCNBSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000334184625 136223994 /nfs/dbraw/zinc/22/39/94/136223994.db2.gz BZDSRCJLGOKAQZ-LLVKDONJSA-N 2 2 247.367 2.358 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)no1 ZINC000337463804 178225575 /nfs/dbraw/zinc/22/55/75/178225575.db2.gz SEWHUVIRUBMTKB-GFCCVEGCSA-N 2 2 237.347 2.120 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000421365731 192333629 /nfs/dbraw/zinc/33/36/29/192333629.db2.gz CBJXQBPMWWZKCN-DZGCQCFKSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000421365731 192333631 /nfs/dbraw/zinc/33/36/31/192333631.db2.gz CBJXQBPMWWZKCN-DZGCQCFKSA-N 2 2 248.370 2.168 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)[C@@H]1C ZINC000381227287 398236685 /nfs/dbraw/zinc/23/66/85/398236685.db2.gz KDERKWIDSKNLRA-RFHZTLPTSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)[C@@H]1C ZINC000381227287 398236688 /nfs/dbraw/zinc/23/66/88/398236688.db2.gz KDERKWIDSKNLRA-RFHZTLPTSA-N 2 2 222.376 2.105 20 0 BEADLP C[NH+](C)CCOc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000649430591 398233481 /nfs/dbraw/zinc/23/34/81/398233481.db2.gz IGBPIILECRTWNO-UHFFFAOYSA-N 2 2 231.299 2.017 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)[C@H]1C ZINC000381227309 398236884 /nfs/dbraw/zinc/23/68/84/398236884.db2.gz KDERKWIDSKNLRA-XWUBHJNHSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)[C@H]1C ZINC000381227309 398236888 /nfs/dbraw/zinc/23/68/88/398236888.db2.gz KDERKWIDSKNLRA-XWUBHJNHSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000337547552 178258164 /nfs/dbraw/zinc/25/81/64/178258164.db2.gz MKOCWPMJYVIFHL-RWMBFGLXSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000337547552 178258167 /nfs/dbraw/zinc/25/81/67/178258167.db2.gz MKOCWPMJYVIFHL-RWMBFGLXSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)no1 ZINC000337552940 178258695 /nfs/dbraw/zinc/25/86/95/178258695.db2.gz PNPHGQJGMMXWJP-USWWRNFRSA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)no1 ZINC000337552940 178258696 /nfs/dbraw/zinc/25/86/96/178258696.db2.gz PNPHGQJGMMXWJP-USWWRNFRSA-N 2 2 237.347 2.116 20 0 BEADLP CCC(CC)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000336750551 168360188 /nfs/dbraw/zinc/36/01/88/168360188.db2.gz DYXMBCSUICGLIZ-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cc(NCC23CCC[NH+]2CCC3)nc(C)[nH+]1 ZINC000280971571 538938322 /nfs/dbraw/zinc/93/83/22/538938322.db2.gz MFTJMAYNXLFCPY-UHFFFAOYSA-N 2 2 246.358 2.134 20 0 BEADLP CCC(CC)C[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000096904745 168361236 /nfs/dbraw/zinc/36/12/36/168361236.db2.gz UXLNOHDOYOXABN-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)C[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000096904745 168361238 /nfs/dbraw/zinc/36/12/38/168361238.db2.gz UXLNOHDOYOXABN-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473178 136229131 /nfs/dbraw/zinc/22/91/31/136229131.db2.gz BZZMQQMJCXOUJP-CMPLNLGQSA-N 2 2 236.384 2.467 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465702 136229248 /nfs/dbraw/zinc/22/92/48/136229248.db2.gz WQKPONNJNDISGY-UKRRQHHQSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2ccccc2)n1C ZINC000576649954 365650458 /nfs/dbraw/zinc/65/04/58/365650458.db2.gz VNSUVEBRNTWQNF-UHFFFAOYSA-N 2 2 229.327 2.061 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)[C@H](C)CC)C1 ZINC000381407606 398256289 /nfs/dbraw/zinc/25/62/89/398256289.db2.gz RBBAAJFERYJOIQ-HZSPNIEDSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)[C@H](C)CC)C1 ZINC000381407606 398256293 /nfs/dbraw/zinc/25/62/93/398256293.db2.gz RBBAAJFERYJOIQ-HZSPNIEDSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[C@@H](C[NH2+]CCCCn1cc[nH+]c1)OC ZINC000386129419 398263573 /nfs/dbraw/zinc/26/35/73/398263573.db2.gz OIFMZQOZIDYBLZ-ZDUSSCGKSA-N 2 2 239.363 2.068 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000335330432 136234510 /nfs/dbraw/zinc/23/45/10/136234510.db2.gz AAJBXNAZXWRAKF-ZDUSSCGKSA-N 2 2 242.322 2.480 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000335330432 136234511 /nfs/dbraw/zinc/23/45/11/136234511.db2.gz AAJBXNAZXWRAKF-ZDUSSCGKSA-N 2 2 242.322 2.480 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccncc1F ZINC000449070476 398274039 /nfs/dbraw/zinc/27/40/39/398274039.db2.gz CTXDKQVLROFRQJ-UHFFFAOYSA-N 2 2 239.338 2.041 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccncc1F ZINC000449070476 398274041 /nfs/dbraw/zinc/27/40/41/398274041.db2.gz CTXDKQVLROFRQJ-UHFFFAOYSA-N 2 2 239.338 2.041 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000166889069 361857504 /nfs/dbraw/zinc/85/75/04/361857504.db2.gz OFLNRHPTQIRQNU-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000166889069 361857505 /nfs/dbraw/zinc/85/75/05/361857505.db2.gz OFLNRHPTQIRQNU-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378918704 346860350 /nfs/dbraw/zinc/86/03/50/346860350.db2.gz BSHMZEDMYZXZCZ-RDBSUJKOSA-N 2 2 222.376 2.251 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671992 538972913 /nfs/dbraw/zinc/97/29/13/538972913.db2.gz UGZQQQIZBXQTIT-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671992 538972914 /nfs/dbraw/zinc/97/29/14/538972914.db2.gz UGZQQQIZBXQTIT-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000040672004 538973064 /nfs/dbraw/zinc/97/30/64/538973064.db2.gz HWFATSWGCOAGKJ-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000040672004 538973066 /nfs/dbraw/zinc/97/30/66/538973066.db2.gz HWFATSWGCOAGKJ-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672342 538973162 /nfs/dbraw/zinc/97/31/62/538973162.db2.gz OAPFPWOIFXFUKH-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672342 538973164 /nfs/dbraw/zinc/97/31/64/538973164.db2.gz OAPFPWOIFXFUKH-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C2(C[NH3+])CC2)c1 ZINC000630053069 361922860 /nfs/dbraw/zinc/92/28/60/361922860.db2.gz QBSGWVYWMRKWSH-UHFFFAOYSA-N 2 2 227.311 2.077 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC1CC1 ZINC000381472250 539001540 /nfs/dbraw/zinc/00/15/40/539001540.db2.gz NDEBTCLTUNYTES-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC1CC1 ZINC000381472250 539001542 /nfs/dbraw/zinc/00/15/42/539001542.db2.gz NDEBTCLTUNYTES-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000381647619 539005961 /nfs/dbraw/zinc/00/59/61/539005961.db2.gz CASKNXNUNIVDPF-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000381647619 539005962 /nfs/dbraw/zinc/00/59/62/539005962.db2.gz CASKNXNUNIVDPF-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CCc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc[nH+]1 ZINC000383984585 539012173 /nfs/dbraw/zinc/01/21/73/539012173.db2.gz DRXSXNXTPHKCJM-LLVKDONJSA-N 2 2 236.363 2.180 20 0 BEADLP CCc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000383984585 539012175 /nfs/dbraw/zinc/01/21/75/539012175.db2.gz DRXSXNXTPHKCJM-LLVKDONJSA-N 2 2 236.363 2.180 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381356163 538998869 /nfs/dbraw/zinc/99/88/69/538998869.db2.gz CIEYSUJUYKKLKM-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381356163 538998870 /nfs/dbraw/zinc/99/88/70/538998870.db2.gz CIEYSUJUYKKLKM-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cn(Cc2ccc[nH+]c2C)c1C ZINC000389639068 539016506 /nfs/dbraw/zinc/01/65/06/539016506.db2.gz PPOSCHYRGLONKO-UHFFFAOYSA-N 2 2 201.273 2.252 20 0 BEADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335644929 136243608 /nfs/dbraw/zinc/24/36/08/136243608.db2.gz YPKWBWWPZIHHFN-LBPRGKRZSA-N 2 2 238.762 2.408 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC1 ZINC000290480443 398310745 /nfs/dbraw/zinc/31/07/45/398310745.db2.gz VILOZBBCHYSEDJ-UHFFFAOYSA-N 2 2 204.317 2.465 20 0 BEADLP c1cn(CC[NH2+]CC2CCCCC2)c[nH+]1 ZINC000041041886 398317768 /nfs/dbraw/zinc/31/77/68/398317768.db2.gz YPHKUCVYYHRDDR-UHFFFAOYSA-N 2 2 207.321 2.053 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000313275101 259332648 /nfs/dbraw/zinc/33/26/48/259332648.db2.gz VOCRCWTZNFQBOI-OAHLLOKOSA-N 2 2 241.338 2.240 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCC[N@@H+]1C ZINC000306328388 398339668 /nfs/dbraw/zinc/33/96/68/398339668.db2.gz NIJPXCLERMPTQK-OCCSQVGLSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCC[N@H+]1C ZINC000306328388 398339669 /nfs/dbraw/zinc/33/96/69/398339669.db2.gz NIJPXCLERMPTQK-OCCSQVGLSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313268682 259332815 /nfs/dbraw/zinc/33/28/15/259332815.db2.gz WLLSPBQSDLNYCE-AAEUAGOBSA-N 2 2 221.348 2.131 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000177844328 536667484 /nfs/dbraw/zinc/66/74/84/536667484.db2.gz RPKVOXZNIFRHCU-UONOGXRCSA-N 2 2 244.423 2.367 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(C2CC2)n1 ZINC000576814644 365691277 /nfs/dbraw/zinc/69/12/77/365691277.db2.gz IQZKJRNCYSLXJY-DTWKUNHWSA-N 2 2 239.388 2.236 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000053448211 346902178 /nfs/dbraw/zinc/90/21/78/346902178.db2.gz XBWIKWOALWYDRF-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@H+](C)C1CC1 ZINC000304590729 259335344 /nfs/dbraw/zinc/33/53/44/259335344.db2.gz PGLQBNDWVQBBJV-VTPLQMEGSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)C1CC1 ZINC000304590729 259335345 /nfs/dbraw/zinc/33/53/45/259335345.db2.gz PGLQBNDWVQBBJV-VTPLQMEGSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+](CC)CC ZINC000020089778 342968937 /nfs/dbraw/zinc/96/89/37/342968937.db2.gz LNWJKMWVEAHUOZ-NEPJUHHUSA-N 2 2 200.370 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000019960750 342964799 /nfs/dbraw/zinc/96/47/99/342964799.db2.gz LHEFBMICTIDDMN-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000019960750 342964800 /nfs/dbraw/zinc/96/48/00/342964800.db2.gz LHEFBMICTIDDMN-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@@H](F)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351875398 136261119 /nfs/dbraw/zinc/26/11/19/136261119.db2.gz LPONVKOGHCQZDG-MNOVXSKESA-N 2 2 225.311 2.337 20 0 BEADLP C[C@@H](F)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351875398 136261120 /nfs/dbraw/zinc/26/11/20/136261120.db2.gz LPONVKOGHCQZDG-MNOVXSKESA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000022141885 343042295 /nfs/dbraw/zinc/04/22/95/343042295.db2.gz QJKNLISBSNURNJ-ZDUSSCGKSA-N 2 2 206.333 2.289 20 0 BEADLP CCC1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000038088989 343059130 /nfs/dbraw/zinc/05/91/30/343059130.db2.gz MNMNSGUYTYWDPA-HIFPTAJRSA-N 2 2 212.381 2.495 20 0 BEADLP c1cn(CCC[N@H+]2[C@H]3C=CC[C@@H]2CC3)c[nH+]1 ZINC000378441679 187227185 /nfs/dbraw/zinc/22/71/85/187227185.db2.gz KNXFTZQYBFBNEW-QWHCGFSZSA-N 2 2 217.316 2.066 20 0 BEADLP c1cn(CCC[N@@H+]2[C@H]3C=CC[C@@H]2CC3)c[nH+]1 ZINC000378441679 187227186 /nfs/dbraw/zinc/22/71/86/187227186.db2.gz KNXFTZQYBFBNEW-QWHCGFSZSA-N 2 2 217.316 2.066 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@@H+]1C1CC1 ZINC000119909990 343101062 /nfs/dbraw/zinc/10/10/62/343101062.db2.gz XFLGMLADRUFEMF-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@H+]1C1CC1 ZINC000119909990 343101063 /nfs/dbraw/zinc/10/10/63/343101063.db2.gz XFLGMLADRUFEMF-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1ccc(F)cc1F ZINC000087472150 136281619 /nfs/dbraw/zinc/28/16/19/136281619.db2.gz YPXCUSGZYGRCHQ-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)cc1F ZINC000087472150 136281620 /nfs/dbraw/zinc/28/16/20/136281620.db2.gz YPXCUSGZYGRCHQ-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP CCCC[C@@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000068986860 343254607 /nfs/dbraw/zinc/25/46/07/343254607.db2.gz IUQJSBFZTBICDZ-NWDGAFQWSA-N 2 2 200.370 2.495 20 0 BEADLP CCCC[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000068986975 343254609 /nfs/dbraw/zinc/25/46/09/343254609.db2.gz IIZUSMXOIYGBAY-GFCCVEGCSA-N 2 2 209.337 2.442 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2ncccc12 ZINC000634688582 343249075 /nfs/dbraw/zinc/24/90/75/343249075.db2.gz WZOVCFVKJCJQAJ-AAEUAGOBSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2ncccc12 ZINC000634688582 343249077 /nfs/dbraw/zinc/24/90/77/343249077.db2.gz WZOVCFVKJCJQAJ-AAEUAGOBSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000069663062 343288137 /nfs/dbraw/zinc/28/81/37/343288137.db2.gz MRTZJDFIQMLHTC-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000069663062 343288138 /nfs/dbraw/zinc/28/81/38/343288138.db2.gz MRTZJDFIQMLHTC-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000069663066 343288256 /nfs/dbraw/zinc/28/82/56/343288256.db2.gz MRTZJDFIQMLHTC-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000069663066 343288258 /nfs/dbraw/zinc/28/82/58/343288258.db2.gz MRTZJDFIQMLHTC-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000353930997 136297598 /nfs/dbraw/zinc/29/75/98/136297598.db2.gz PTDIJIUBZURNPQ-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1 ZINC000035275007 343292052 /nfs/dbraw/zinc/29/20/52/343292052.db2.gz HNMBQQZZNFAFJN-NSHDSACASA-N 2 2 233.290 2.201 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@H+](C)C2CCC2)s1 ZINC000347859991 136293535 /nfs/dbraw/zinc/29/35/35/136293535.db2.gz GWXICZFWZRBMNA-UHFFFAOYSA-N 2 2 239.388 2.189 20 0 BEADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C2CCC2)s1 ZINC000347859991 136293536 /nfs/dbraw/zinc/29/35/36/136293536.db2.gz GWXICZFWZRBMNA-UHFFFAOYSA-N 2 2 239.388 2.189 20 0 BEADLP c1ccc(NC2CC[NH+](C3CC3)CC2)[nH+]c1 ZINC000073350497 343357835 /nfs/dbraw/zinc/35/78/35/343357835.db2.gz STWDOYIRHLMQPA-UHFFFAOYSA-N 2 2 217.316 2.120 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)CC)C1 ZINC000070562935 343335163 /nfs/dbraw/zinc/33/51/63/343335163.db2.gz YARXGHGLDRQXHR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)CC)C1 ZINC000070562935 343335164 /nfs/dbraw/zinc/33/51/64/343335164.db2.gz YARXGHGLDRQXHR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccnc1 ZINC000037157813 343337317 /nfs/dbraw/zinc/33/73/17/343337317.db2.gz NXAFWULSZBNDMI-NWDGAFQWSA-N 2 2 230.315 2.017 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000037158088 343337376 /nfs/dbraw/zinc/33/73/76/343337376.db2.gz YGWUPYQEJLXSMW-VXGBXAGGSA-N 2 2 245.326 2.328 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037158082 343337526 /nfs/dbraw/zinc/33/75/26/343337526.db2.gz YGWUPYQEJLXSMW-RYUDHWBXSA-N 2 2 245.326 2.328 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000335677321 136319099 /nfs/dbraw/zinc/31/90/99/136319099.db2.gz HUCSPPQRQNYPRS-DGCLKSJQSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000335677321 136319100 /nfs/dbraw/zinc/31/91/00/136319100.db2.gz HUCSPPQRQNYPRS-DGCLKSJQSA-N 2 2 236.384 2.124 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000335641536 136308445 /nfs/dbraw/zinc/30/84/45/136308445.db2.gz HKAHGSSXKLACMK-LLVKDONJSA-N 2 2 240.297 2.197 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1Cl ZINC000335640831 136308447 /nfs/dbraw/zinc/30/84/47/136308447.db2.gz ATJXLPMOQHIIKN-LLVKDONJSA-N 2 2 224.735 2.100 20 0 BEADLP Fc1cc(F)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335642345 136309144 /nfs/dbraw/zinc/30/91/44/136309144.db2.gz IAQICFJMBSNCTB-CYBMUJFWSA-N 2 2 240.297 2.197 20 0 BEADLP C[C@H]1C[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335694467 136326390 /nfs/dbraw/zinc/32/63/90/136326390.db2.gz CUDBMLDBMOYGQA-JQWIXIFHSA-N 2 2 219.332 2.245 20 0 BEADLP Clc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041041714 343413526 /nfs/dbraw/zinc/41/35/26/343413526.db2.gz CFXYZKKMLOJADD-UHFFFAOYSA-N 2 2 235.718 2.326 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000041064052 343414754 /nfs/dbraw/zinc/41/47/54/343414754.db2.gz WNYTWWQYPYJWRC-LLVKDONJSA-N 2 2 233.290 2.373 20 0 BEADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000041063296 343414946 /nfs/dbraw/zinc/41/49/46/343414946.db2.gz VIGTUVCPFQKXCQ-UHFFFAOYSA-N 2 2 229.327 2.290 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000349420128 136345440 /nfs/dbraw/zinc/34/54/40/136345440.db2.gz QHRCBLUQIWKNQP-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000349420128 136345441 /nfs/dbraw/zinc/34/54/41/136345441.db2.gz QHRCBLUQIWKNQP-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000082594793 343450557 /nfs/dbraw/zinc/45/05/57/343450557.db2.gz BZVOCZWDKKOOJM-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000082594793 343450559 /nfs/dbraw/zinc/45/05/59/343450559.db2.gz BZVOCZWDKKOOJM-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000191659560 136362906 /nfs/dbraw/zinc/36/29/06/136362906.db2.gz GPUKWIOIMXUYBG-ZDUSSCGKSA-N 2 2 243.310 2.283 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC1 ZINC000247980697 136373511 /nfs/dbraw/zinc/37/35/11/136373511.db2.gz MOPCFMKQGJCNNG-SWLSCSKDSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC1 ZINC000247980697 136373512 /nfs/dbraw/zinc/37/35/12/136373512.db2.gz MOPCFMKQGJCNNG-SWLSCSKDSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000042545784 343442917 /nfs/dbraw/zinc/44/29/17/343442917.db2.gz DCLJEIVFQVRKKP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000042545784 343442918 /nfs/dbraw/zinc/44/29/18/343442918.db2.gz DCLJEIVFQVRKKP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000042544041 343443223 /nfs/dbraw/zinc/44/32/23/343443223.db2.gz BLRQMBGXUBPPLR-DGCLKSJQSA-N 2 2 204.317 2.041 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000042544041 343443225 /nfs/dbraw/zinc/44/32/25/343443225.db2.gz BLRQMBGXUBPPLR-DGCLKSJQSA-N 2 2 204.317 2.041 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082830486 343467613 /nfs/dbraw/zinc/46/76/13/343467613.db2.gz CELKIBWTMUJDHL-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082830486 343467615 /nfs/dbraw/zinc/46/76/15/343467615.db2.gz CELKIBWTMUJDHL-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958358 365764566 /nfs/dbraw/zinc/76/45/66/365764566.db2.gz GODSGZHAAVXPRL-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958358 365764570 /nfs/dbraw/zinc/76/45/70/365764570.db2.gz GODSGZHAAVXPRL-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000041063984 187264313 /nfs/dbraw/zinc/26/43/13/187264313.db2.gz OGPZAABLBUQJIZ-LLVKDONJSA-N 2 2 233.290 2.373 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1F ZINC000049551720 343602110 /nfs/dbraw/zinc/60/21/10/343602110.db2.gz PPDFFYNXMLABAA-SNVBAGLBSA-N 2 2 242.313 2.395 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)C(F)F ZINC000624272263 343640467 /nfs/dbraw/zinc/64/04/67/343640467.db2.gz AIAWOFHSSRWEJB-UWVGGRQHSA-N 2 2 234.334 2.350 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)C(F)F ZINC000624272263 343640471 /nfs/dbraw/zinc/64/04/71/343640471.db2.gz AIAWOFHSSRWEJB-UWVGGRQHSA-N 2 2 234.334 2.350 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000285456529 187344942 /nfs/dbraw/zinc/34/49/42/187344942.db2.gz ABCWFLRGACGUSQ-ZDUSSCGKSA-N 2 2 244.342 2.327 20 0 BEADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[NH+](C)C ZINC000088131465 343708561 /nfs/dbraw/zinc/70/85/61/343708561.db2.gz QPEAWWLVVBGFFF-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(CC)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434520 343734740 /nfs/dbraw/zinc/73/47/40/343734740.db2.gz YYWLPCGNDOETRW-UHFFFAOYSA-N 2 2 207.321 2.204 20 0 BEADLP CCC(CC)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434520 343734741 /nfs/dbraw/zinc/73/47/41/343734741.db2.gz YYWLPCGNDOETRW-UHFFFAOYSA-N 2 2 207.321 2.204 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CC1 ZINC000584183394 343770813 /nfs/dbraw/zinc/77/08/13/343770813.db2.gz HKFTVLPKXZIJQP-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000041029167 343784353 /nfs/dbraw/zinc/78/43/53/343784353.db2.gz LVFPFFFVCNIRQX-PXYYCUNGSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000041029167 343784355 /nfs/dbraw/zinc/78/43/55/343784355.db2.gz LVFPFFFVCNIRQX-PXYYCUNGSA-N 2 2 216.328 2.123 20 0 BEADLP CC(C)C[N@H+](CCn1cc[nH+]c1)C(C)C ZINC000179307898 346980316 /nfs/dbraw/zinc/98/03/16/346980316.db2.gz SFOIFGQSSGRYOI-UHFFFAOYSA-N 2 2 209.337 2.250 20 0 BEADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)C(C)C ZINC000179307898 346980319 /nfs/dbraw/zinc/98/03/19/346980319.db2.gz SFOIFGQSSGRYOI-UHFFFAOYSA-N 2 2 209.337 2.250 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336726999 537830078 /nfs/dbraw/zinc/83/00/78/537830078.db2.gz BXTKRDIEAPPTBO-WXHSDQCUSA-N 2 2 219.332 2.050 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000336713190 537830868 /nfs/dbraw/zinc/83/08/68/537830868.db2.gz VKIGTVBIPJZEOB-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000336713190 537830879 /nfs/dbraw/zinc/83/08/79/537830879.db2.gz VKIGTVBIPJZEOB-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C1=CC[C@@H](C[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000042254478 187354332 /nfs/dbraw/zinc/35/43/32/187354332.db2.gz XTIAEVPEDAYSOF-CQSZACIVSA-N 2 2 222.376 2.418 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000336754526 537837754 /nfs/dbraw/zinc/83/77/54/537837754.db2.gz IGXIBTQBEJMFPZ-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC(F)(F)CC1 ZINC000625770845 344065973 /nfs/dbraw/zinc/06/59/73/344065973.db2.gz VTWHFKMZNLWGEF-UHFFFAOYSA-N 2 2 243.301 2.313 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC(F)(F)CC1 ZINC000625770845 344065976 /nfs/dbraw/zinc/06/59/76/344065976.db2.gz VTWHFKMZNLWGEF-UHFFFAOYSA-N 2 2 243.301 2.313 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348111088 537840444 /nfs/dbraw/zinc/84/04/44/537840444.db2.gz VIMHDAXPIYHQMK-BPLDGKMQSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348111088 537840447 /nfs/dbraw/zinc/84/04/47/537840447.db2.gz VIMHDAXPIYHQMK-BPLDGKMQSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000145572168 344319314 /nfs/dbraw/zinc/31/93/14/344319314.db2.gz OORKQQPJBGYRJC-UHFFFAOYSA-N 2 2 219.332 2.366 20 0 BEADLP CCc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc[nH+]1 ZINC000062075487 344347955 /nfs/dbraw/zinc/34/79/55/344347955.db2.gz DWHRSZHWELXZOR-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP CCCCc1cc(N[C@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000634813525 344398736 /nfs/dbraw/zinc/39/87/36/344398736.db2.gz NTQOXLDZFVTIQI-LBPRGKRZSA-N 2 2 248.374 2.373 20 0 BEADLP CCc1cc(N[C@@H]2CC[NH2+]CC(C)(C)C2)nc[nH+]1 ZINC000634813835 344399364 /nfs/dbraw/zinc/39/93/64/344399364.db2.gz ZDWSGAJLHSGOPQ-GFCCVEGCSA-N 2 2 248.374 2.229 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042439407 344453547 /nfs/dbraw/zinc/45/35/47/344453547.db2.gz JMRQMYDPFKBYMU-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042439407 344453550 /nfs/dbraw/zinc/45/35/50/344453550.db2.gz JMRQMYDPFKBYMU-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP CC(C)COc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712647 344572723 /nfs/dbraw/zinc/57/27/23/344572723.db2.gz YIWNHWKDRDIQPE-LBPRGKRZSA-N 2 2 236.359 2.331 20 0 BEADLP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641405791 362397701 /nfs/dbraw/zinc/39/77/01/362397701.db2.gz IKYGNIUKKWGWER-NSHDSACASA-N 2 2 237.322 2.141 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000336769241 537851066 /nfs/dbraw/zinc/85/10/66/537851066.db2.gz VMMIBVITZBHPMJ-AGIUHOORSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000336769241 537851074 /nfs/dbraw/zinc/85/10/74/537851074.db2.gz VMMIBVITZBHPMJ-AGIUHOORSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]cc2F)C[C@H]1C ZINC000641471057 362438794 /nfs/dbraw/zinc/43/87/94/362438794.db2.gz USXUOMPQHPLUPR-GHMZBOCLSA-N 2 2 237.322 2.140 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]cc2F)C[C@H]1C ZINC000641471057 362438802 /nfs/dbraw/zinc/43/88/02/362438802.db2.gz USXUOMPQHPLUPR-GHMZBOCLSA-N 2 2 237.322 2.140 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCC1 ZINC000336781643 537852773 /nfs/dbraw/zinc/85/27/73/537852773.db2.gz VETCTOPJVIKOBK-CHWSQXEVSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCC1 ZINC000336781644 537851875 /nfs/dbraw/zinc/85/18/75/537851875.db2.gz VETCTOPJVIKOBK-OLZOCXBDSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000181593556 347065006 /nfs/dbraw/zinc/06/50/06/347065006.db2.gz XCNWMQFFKQAAIT-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000181593556 347065008 /nfs/dbraw/zinc/06/50/08/347065008.db2.gz XCNWMQFFKQAAIT-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C1(C)CC1 ZINC000049574759 344653798 /nfs/dbraw/zinc/65/37/98/344653798.db2.gz QXEMMDPSZGABOM-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000380258432 344734976 /nfs/dbraw/zinc/73/49/76/344734976.db2.gz QWLHOFMKXYBXAW-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152794353 344694919 /nfs/dbraw/zinc/69/49/19/344694919.db2.gz CKHLMUHNDIWCQX-LLVKDONJSA-N 2 2 221.348 2.150 20 0 BEADLP Cc1sccc1C[N@@H+](C)CCC[NH+](C)C ZINC000560524252 344770224 /nfs/dbraw/zinc/77/02/24/344770224.db2.gz UPJFHNCYQYJOME-UHFFFAOYSA-N 2 2 226.389 2.440 20 0 BEADLP Cc1sccc1C[N@H+](C)CCC[NH+](C)C ZINC000560524252 344770228 /nfs/dbraw/zinc/77/02/28/344770228.db2.gz UPJFHNCYQYJOME-UHFFFAOYSA-N 2 2 226.389 2.440 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccsc1 ZINC000050338794 344782849 /nfs/dbraw/zinc/78/28/49/344782849.db2.gz LXPGXOXMKRYEHG-LLVKDONJSA-N 2 2 224.373 2.495 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045089778 187292665 /nfs/dbraw/zinc/29/26/65/187292665.db2.gz KDWRZFNFVFKUDU-LBPRGKRZSA-N 2 2 210.365 2.378 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045089778 187292667 /nfs/dbraw/zinc/29/26/67/187292667.db2.gz KDWRZFNFVFKUDU-LBPRGKRZSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304597873 344953424 /nfs/dbraw/zinc/95/34/24/344953424.db2.gz QDGFRCIEMGHVEV-XQHKEYJVSA-N 2 2 219.332 2.050 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)nc2)CC1 ZINC000153725716 344961154 /nfs/dbraw/zinc/96/11/54/344961154.db2.gz AVNXVIZUDZIPDJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)nc2)CC1 ZINC000153725716 344961158 /nfs/dbraw/zinc/96/11/58/344961158.db2.gz AVNXVIZUDZIPDJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)nc2)C1 ZINC000153979016 345004171 /nfs/dbraw/zinc/00/41/71/345004171.db2.gz OMBAKVXEJOHXBD-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)nc2)C1 ZINC000153979016 345004174 /nfs/dbraw/zinc/00/41/74/345004174.db2.gz OMBAKVXEJOHXBD-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000153979016 345004178 /nfs/dbraw/zinc/00/41/78/345004178.db2.gz OMBAKVXEJOHXBD-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000153979016 345004183 /nfs/dbraw/zinc/00/41/83/345004183.db2.gz OMBAKVXEJOHXBD-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1F ZINC000641591345 362533596 /nfs/dbraw/zinc/53/35/96/362533596.db2.gz ATUZWTLQRAJJHD-NWDGAFQWSA-N 2 2 249.333 2.284 20 0 BEADLP CCC[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993428 345190363 /nfs/dbraw/zinc/19/03/63/345190363.db2.gz UKTYSJWYJBAHBA-IYXRBSQSSA-N 2 2 222.376 2.251 20 0 BEADLP CCC[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993428 345190364 /nfs/dbraw/zinc/19/03/64/345190364.db2.gz UKTYSJWYJBAHBA-IYXRBSQSSA-N 2 2 222.376 2.251 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991704 345178679 /nfs/dbraw/zinc/17/86/79/345178679.db2.gz OVQSRMYJPGYWGT-ROKHWSDSSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991704 345178680 /nfs/dbraw/zinc/17/86/80/345178680.db2.gz OVQSRMYJPGYWGT-ROKHWSDSSA-N 2 2 222.376 2.249 20 0 BEADLP C([N@H+](C1CC1)C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000634991700 345178708 /nfs/dbraw/zinc/17/87/08/345178708.db2.gz OPUJNGOMVBIOTB-UHFFFAOYSA-N 2 2 220.360 2.145 20 0 BEADLP C([N@@H+](C1CC1)C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000634991700 345178709 /nfs/dbraw/zinc/17/87/09/345178709.db2.gz OPUJNGOMVBIOTB-UHFFFAOYSA-N 2 2 220.360 2.145 20 0 BEADLP CC[N@H+](CC12CC(C1)C[NH2+]2)[C@H](C)C(C)C ZINC000634992071 345179976 /nfs/dbraw/zinc/17/99/76/345179976.db2.gz BXWZENLRFMVSAY-PNESKVBLSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC12CC(C1)C[NH2+]2)[C@H](C)C(C)C ZINC000634992071 345179978 /nfs/dbraw/zinc/17/99/78/345179978.db2.gz BXWZENLRFMVSAY-PNESKVBLSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)CC1(C)C ZINC000634994868 345182405 /nfs/dbraw/zinc/18/24/05/345182405.db2.gz OTPFSDCANYGVOS-DCBWTQNWSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)CC1(C)C ZINC000634994868 345182409 /nfs/dbraw/zinc/18/24/09/345182409.db2.gz OTPFSDCANYGVOS-DCBWTQNWSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCC(C)(C)C1 ZINC000634994655 345182416 /nfs/dbraw/zinc/18/24/16/345182416.db2.gz JSXQRYMYEKLHBW-LXVYMNJGSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+](CC12CC(C1)C[NH2+]2)[C@H]1CCC(C)(C)C1 ZINC000634994655 345182419 /nfs/dbraw/zinc/18/24/19/345182419.db2.gz JSXQRYMYEKLHBW-LXVYMNJGSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995257 345184443 /nfs/dbraw/zinc/18/44/43/345184443.db2.gz ZFUDKUCMOBJHKV-JVWICGRDSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)(C)[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995257 345184445 /nfs/dbraw/zinc/18/44/45/345184445.db2.gz ZFUDKUCMOBJHKV-JVWICGRDSA-N 2 2 236.403 2.497 20 0 BEADLP C(C[N@H+](CC1CC1)CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996951 345186944 /nfs/dbraw/zinc/18/69/44/345186944.db2.gz ZKQZXEALCIDYCB-UHFFFAOYSA-N 2 2 234.387 2.251 20 0 BEADLP C(C[N@@H+](CC1CC1)CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634996951 345186945 /nfs/dbraw/zinc/18/69/45/345186945.db2.gz ZKQZXEALCIDYCB-UHFFFAOYSA-N 2 2 234.387 2.251 20 0 BEADLP C[C@@H]1CCCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992797 345188125 /nfs/dbraw/zinc/18/81/25/345188125.db2.gz BBTUCOGPHCDICB-PNESKVBLSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]1CCCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992797 345188127 /nfs/dbraw/zinc/18/81/27/345188127.db2.gz BBTUCOGPHCDICB-PNESKVBLSA-N 2 2 208.349 2.003 20 0 BEADLP CC(C)[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993190 345188683 /nfs/dbraw/zinc/18/86/83/345188683.db2.gz MYTOJMQBVKYXIX-ROKHWSDSSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993190 345188684 /nfs/dbraw/zinc/18/86/84/345188684.db2.gz MYTOJMQBVKYXIX-ROKHWSDSSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)CCC1 ZINC000634997092 345193992 /nfs/dbraw/zinc/19/39/92/345193992.db2.gz CSQPEWLCQGOKJI-GFCCVEGCSA-N 2 2 210.365 2.380 20 0 BEADLP CC1(C[N@H+]2CCCCC[C@@H]([NH3+])C2)CCC1 ZINC000634997092 345193993 /nfs/dbraw/zinc/19/39/93/345193993.db2.gz CSQPEWLCQGOKJI-GFCCVEGCSA-N 2 2 210.365 2.380 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccs2)C1 ZINC000634997069 345194162 /nfs/dbraw/zinc/19/41/62/345194162.db2.gz CCAWMAUMKKBQOV-LLVKDONJSA-N 2 2 224.373 2.451 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccs2)C1 ZINC000634997069 345194164 /nfs/dbraw/zinc/19/41/64/345194164.db2.gz CCAWMAUMKKBQOV-LLVKDONJSA-N 2 2 224.373 2.451 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccsc2)C1 ZINC000634997751 345196059 /nfs/dbraw/zinc/19/60/59/345196059.db2.gz RRSPFAPMEUEHBZ-LBPRGKRZSA-N 2 2 224.373 2.451 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccsc2)C1 ZINC000634997751 345196060 /nfs/dbraw/zinc/19/60/60/345196060.db2.gz RRSPFAPMEUEHBZ-LBPRGKRZSA-N 2 2 224.373 2.451 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccc(C)o1)[C@@H]1CCC[NH2+]1 ZINC000635006344 345210521 /nfs/dbraw/zinc/21/05/21/345210521.db2.gz BGSGMNZZVCGCPF-OLZOCXBDSA-N 2 2 222.332 2.208 20 0 BEADLP C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000635011745 345213378 /nfs/dbraw/zinc/21/33/78/345213378.db2.gz GORJWXSRKPAUMN-RNCFNFMXSA-N 2 2 240.297 2.034 20 0 BEADLP C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000635011739 345213560 /nfs/dbraw/zinc/21/35/60/345213560.db2.gz GORJWXSRKPAUMN-NOZJJQNGSA-N 2 2 240.297 2.034 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635011778 345213833 /nfs/dbraw/zinc/21/38/33/345213833.db2.gz HMUCSGKBWKLUAE-ABAIWWIYSA-N 2 2 243.354 2.256 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368097867 345217182 /nfs/dbraw/zinc/21/71/82/345217182.db2.gz AATLVHJBATZHBS-WDEREUQCSA-N 2 2 221.348 2.435 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368097867 345217186 /nfs/dbraw/zinc/21/71/86/345217186.db2.gz AATLVHJBATZHBS-WDEREUQCSA-N 2 2 221.348 2.435 20 0 BEADLP CCN(CCC[NH+](C)C)c1[nH]c2ccccc2[nH+]1 ZINC000425261804 192086338 /nfs/dbraw/zinc/08/63/38/192086338.db2.gz ZOBVBVIUYKZRMT-UHFFFAOYSA-N 2 2 246.358 2.341 20 0 BEADLP C[C@@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000158455539 345335292 /nfs/dbraw/zinc/33/52/92/345335292.db2.gz JOONQVGJBPSPPZ-MNOVXSKESA-N 2 2 244.342 2.458 20 0 BEADLP C[C@@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000158455539 345335293 /nfs/dbraw/zinc/33/52/93/345335293.db2.gz JOONQVGJBPSPPZ-MNOVXSKESA-N 2 2 244.342 2.458 20 0 BEADLP CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159250944 345419622 /nfs/dbraw/zinc/41/96/22/345419622.db2.gz RFMNJKHZLCRSRZ-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000159250944 345419624 /nfs/dbraw/zinc/41/96/24/345419624.db2.gz RFMNJKHZLCRSRZ-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1nc2[nH]ccc2c(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000080970591 345456512 /nfs/dbraw/zinc/45/65/12/345456512.db2.gz HLVCVSMCVAVIDS-SECBINFHSA-N 2 2 247.346 2.018 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336665276 187305654 /nfs/dbraw/zinc/30/56/54/187305654.db2.gz LLBKLRIBLXVBHM-VXGBXAGGSA-N 2 2 221.348 2.222 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cnccn1 ZINC000090847206 345577554 /nfs/dbraw/zinc/57/75/54/345577554.db2.gz BSEIFNYJWHLINE-LBPRGKRZSA-N 2 2 242.326 2.073 20 0 BEADLP c1c[nH+]c([C@@H]2CCCN(c3cccc[nH+]3)C2)[nH]1 ZINC000091480006 345594141 /nfs/dbraw/zinc/59/41/41/345594141.db2.gz QPQBLEUOHBAJRQ-LLVKDONJSA-N 2 2 228.299 2.189 20 0 BEADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000091481668 345594225 /nfs/dbraw/zinc/59/42/25/345594225.db2.gz IBEBTEMIHJLBCR-CYBMUJFWSA-N 2 2 244.342 2.315 20 0 BEADLP c1coc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073202 345615447 /nfs/dbraw/zinc/61/54/47/345615447.db2.gz WZRINPNKDZSSGT-LLVKDONJSA-N 2 2 231.299 2.382 20 0 BEADLP c1coc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073202 345615448 /nfs/dbraw/zinc/61/54/48/345615448.db2.gz WZRINPNKDZSSGT-LLVKDONJSA-N 2 2 231.299 2.382 20 0 BEADLP CSc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000641711689 362621637 /nfs/dbraw/zinc/62/16/37/362621637.db2.gz BUNRQIAPTRQLPR-SNVBAGLBSA-N 2 2 242.388 2.431 20 0 BEADLP Fc1c[nH+]ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000641677688 362599804 /nfs/dbraw/zinc/59/98/04/362599804.db2.gz CJZFYMVSZRNBOD-LBPRGKRZSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000641677688 362599808 /nfs/dbraw/zinc/59/98/08/362599808.db2.gz CJZFYMVSZRNBOD-LBPRGKRZSA-N 2 2 249.333 2.071 20 0 BEADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309532322 187309362 /nfs/dbraw/zinc/30/93/62/187309362.db2.gz BYTGDXFWYSKKEA-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccccc1OC ZINC000149736060 345716825 /nfs/dbraw/zinc/71/68/25/345716825.db2.gz VAJRSNQMRXMCGU-ZDUSSCGKSA-N 2 2 236.359 2.345 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000198719536 345727636 /nfs/dbraw/zinc/72/76/36/345727636.db2.gz XMPXXJKWMWSVPJ-KGLIPLIRSA-N 2 2 236.334 2.446 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)C1CC(F)(F)C1)C1CC1 ZINC000628210693 345821457 /nfs/dbraw/zinc/82/14/57/345821457.db2.gz GKLUWVUMTCQBAZ-SNVBAGLBSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)C1CC(F)(F)C1)C1CC1 ZINC000628210693 345821459 /nfs/dbraw/zinc/82/14/59/345821459.db2.gz GKLUWVUMTCQBAZ-SNVBAGLBSA-N 2 2 246.345 2.494 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309590356 187310431 /nfs/dbraw/zinc/31/04/31/187310431.db2.gz YWJGUBWDANRKBD-KBPBESRZSA-N 2 2 222.376 2.251 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCSC1 ZINC000061589002 187361252 /nfs/dbraw/zinc/36/12/52/187361252.db2.gz YDTPZNBQTYQZKQ-CYBMUJFWSA-N 2 2 242.432 2.348 20 0 BEADLP CCc1cccc(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000563257542 323106956 /nfs/dbraw/zinc/10/69/56/323106956.db2.gz LOHFCSSDWIDNGX-UHFFFAOYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000628232889 346185872 /nfs/dbraw/zinc/18/58/72/346185872.db2.gz SXMKKRNXGBENJL-JTQLQIEISA-N 2 2 232.318 2.106 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358282165 179033362 /nfs/dbraw/zinc/03/33/62/179033362.db2.gz BKVASGSFAVGZJQ-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358282165 179033363 /nfs/dbraw/zinc/03/33/63/179033363.db2.gz BKVASGSFAVGZJQ-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000215354823 179037852 /nfs/dbraw/zinc/03/78/52/179037852.db2.gz NGQWKCSUVKSCFW-UHFFFAOYSA-N 2 2 229.327 2.290 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccns1)C1CCCCC1 ZINC000641799882 362749783 /nfs/dbraw/zinc/74/97/83/362749783.db2.gz RZEXKZIHFKCISY-GFCCVEGCSA-N 2 2 239.388 2.140 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](C)CC2)n1C ZINC000563438437 323125579 /nfs/dbraw/zinc/12/55/79/323125579.db2.gz DISMSWPTAAPBFV-UMSPYCQHSA-N 2 2 221.348 2.397 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000641797916 362738992 /nfs/dbraw/zinc/73/89/92/362738992.db2.gz AHEUHJOKWARYNQ-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CCC(F)(F)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000641797916 362739001 /nfs/dbraw/zinc/73/90/01/362739001.db2.gz AHEUHJOKWARYNQ-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cscn2)CC1 ZINC000161143635 346476836 /nfs/dbraw/zinc/47/68/36/346476836.db2.gz JPEYNCSNDXFWFH-JTQLQIEISA-N 2 2 239.388 2.278 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805674 362762836 /nfs/dbraw/zinc/76/28/36/362762836.db2.gz GHOHWSRIXHMHRH-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805674 362762842 /nfs/dbraw/zinc/76/28/42/362762842.db2.gz GHOHWSRIXHMHRH-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP COC1([C@H](C)[NH2+]CCc2cc[nH+]cc2C)CCC1 ZINC000580069048 346508927 /nfs/dbraw/zinc/50/89/27/346508927.db2.gz HFQCJWOILIYNQV-ZDUSSCGKSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000035274958 179099495 /nfs/dbraw/zinc/09/94/95/179099495.db2.gz NLORNKKPXXLCFR-CYBMUJFWSA-N 2 2 229.327 2.370 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000336595267 179099726 /nfs/dbraw/zinc/09/97/26/179099726.db2.gz KKBSNZXOTHTNGO-GXTWGEPZSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000336595267 179099731 /nfs/dbraw/zinc/09/97/31/179099731.db2.gz KKBSNZXOTHTNGO-GXTWGEPZSA-N 2 2 218.344 2.035 20 0 BEADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000641801409 362754742 /nfs/dbraw/zinc/75/47/42/362754742.db2.gz CDANUWQGBUELDL-BQBZGAKWSA-N 2 2 245.779 2.012 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1C ZINC000042325159 179101518 /nfs/dbraw/zinc/10/15/18/179101518.db2.gz IYBCRBGDDUWKBS-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1C ZINC000042325159 179101520 /nfs/dbraw/zinc/10/15/20/179101520.db2.gz IYBCRBGDDUWKBS-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H](C)S1 ZINC000069909104 349967868 /nfs/dbraw/zinc/96/78/68/349967868.db2.gz MXYAPULYZMZGNN-PHIMTYICSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)C[C@H](C)S1 ZINC000069909104 349967873 /nfs/dbraw/zinc/96/78/73/349967873.db2.gz MXYAPULYZMZGNN-PHIMTYICSA-N 2 2 230.421 2.200 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000380065343 365836841 /nfs/dbraw/zinc/83/68/41/365836841.db2.gz BVCDBQFCCWIOAL-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000380065343 365836846 /nfs/dbraw/zinc/83/68/46/365836846.db2.gz BVCDBQFCCWIOAL-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309692379 347134439 /nfs/dbraw/zinc/13/44/39/347134439.db2.gz JWLXFNSRPXZTLL-CRWXNKLISA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309692379 347134442 /nfs/dbraw/zinc/13/44/42/347134442.db2.gz JWLXFNSRPXZTLL-CRWXNKLISA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+](C[C@H]1CCC2(CCCC2)O1)CC(C)(C)[NH3+] ZINC000641825534 362775678 /nfs/dbraw/zinc/77/56/78/362775678.db2.gz YTRLWHYUBRMEDZ-GFCCVEGCSA-N 2 2 240.391 2.147 20 0 BEADLP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)CC(C)(C)[NH3+] ZINC000641825534 362775683 /nfs/dbraw/zinc/77/56/83/362775683.db2.gz YTRLWHYUBRMEDZ-GFCCVEGCSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000582062636 347160407 /nfs/dbraw/zinc/16/04/07/347160407.db2.gz SHHKDBJHBWNCOG-RQJHMYQMSA-N 2 2 233.768 2.012 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000641821637 362772220 /nfs/dbraw/zinc/77/22/20/362772220.db2.gz NEPHSXFKSRWXJG-MNOVXSKESA-N 2 2 234.334 2.481 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000641821637 362772225 /nfs/dbraw/zinc/77/22/25/362772225.db2.gz NEPHSXFKSRWXJG-MNOVXSKESA-N 2 2 234.334 2.481 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641824652 362774256 /nfs/dbraw/zinc/77/42/56/362774256.db2.gz WJTBUYOXWAYYCY-QWRGUYRKSA-N 2 2 232.318 2.093 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000641824652 362774257 /nfs/dbraw/zinc/77/42/57/362774257.db2.gz WJTBUYOXWAYYCY-QWRGUYRKSA-N 2 2 232.318 2.093 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000387957602 347133613 /nfs/dbraw/zinc/13/36/13/347133613.db2.gz CSEPRLZVKCONEE-NDBYEHHHSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000387957602 347133615 /nfs/dbraw/zinc/13/36/15/347133615.db2.gz CSEPRLZVKCONEE-NDBYEHHHSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000387957591 347133832 /nfs/dbraw/zinc/13/38/32/347133832.db2.gz CSEPRLZVKCONEE-FVCCEPFGSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000387957591 347133833 /nfs/dbraw/zinc/13/38/33/347133833.db2.gz CSEPRLZVKCONEE-FVCCEPFGSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000310041309 347223184 /nfs/dbraw/zinc/22/31/84/347223184.db2.gz YMFXFPJUGDICHE-WDEREUQCSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000310041309 347223186 /nfs/dbraw/zinc/22/31/86/347223186.db2.gz YMFXFPJUGDICHE-WDEREUQCSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H](C)C[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000669380342 537988229 /nfs/dbraw/zinc/98/82/29/537988229.db2.gz XNGJJVBJANQGKI-SNVBAGLBSA-N 2 2 241.404 2.340 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000624148834 347277367 /nfs/dbraw/zinc/27/73/67/347277367.db2.gz OZTQQIXSXJNNJE-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000624148834 347277372 /nfs/dbraw/zinc/27/73/72/347277372.db2.gz OZTQQIXSXJNNJE-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250598257 362811961 /nfs/dbraw/zinc/81/19/61/362811961.db2.gz JHHZYWWNPKQDTE-HOTGVXAUSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250598257 362811967 /nfs/dbraw/zinc/81/19/67/362811967.db2.gz JHHZYWWNPKQDTE-HOTGVXAUSA-N 2 2 244.382 2.228 20 0 BEADLP CCCC1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000020083581 347406263 /nfs/dbraw/zinc/40/62/63/347406263.db2.gz BNBJSHHVNGNUCJ-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(C)C ZINC000019919332 347377537 /nfs/dbraw/zinc/37/75/37/347377537.db2.gz HDIPZTDCWSYTBZ-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCC1 ZINC000054077593 347436454 /nfs/dbraw/zinc/43/64/54/347436454.db2.gz JDEFDGFRMSONFC-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCCC1 ZINC000054077604 347436747 /nfs/dbraw/zinc/43/67/47/347436747.db2.gz OXRUARUZGFBBFA-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000061989164 179288350 /nfs/dbraw/zinc/28/83/50/179288350.db2.gz HNFBPYLOHAUOFT-HIFRSBDPSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000061989164 179288352 /nfs/dbraw/zinc/28/83/52/179288352.db2.gz HNFBPYLOHAUOFT-HIFRSBDPSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324646 179323062 /nfs/dbraw/zinc/32/30/62/179323062.db2.gz NXILAOZYLQFMOZ-OLZOCXBDSA-N 2 2 218.344 2.398 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000054475667 348029328 /nfs/dbraw/zinc/02/93/28/348029328.db2.gz OPGNCMISEPXAGD-DGCLKSJQSA-N 2 2 206.333 2.322 20 0 BEADLP Cc1cccn2c(C[NH2+][C@H]3CCSC3)c[nH+]c12 ZINC000336632739 179353972 /nfs/dbraw/zinc/35/39/72/179353972.db2.gz VLFMZODXVCYPQY-NSHDSACASA-N 2 2 247.367 2.238 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CSCCF)C1 ZINC000595097561 348194346 /nfs/dbraw/zinc/19/43/46/348194346.db2.gz XPFZNLMEPJABKT-RYUDHWBXSA-N 2 2 248.411 2.152 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CSCCF)C1 ZINC000595097561 348194347 /nfs/dbraw/zinc/19/43/47/348194347.db2.gz XPFZNLMEPJABKT-RYUDHWBXSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@H]1[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000419382554 192133411 /nfs/dbraw/zinc/13/34/11/192133411.db2.gz ZHUQHZFBHQQYCX-JHJVBQTASA-N 2 2 221.348 2.250 20 0 BEADLP C[C@H]1[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000419382554 192133413 /nfs/dbraw/zinc/13/34/13/192133413.db2.gz ZHUQHZFBHQQYCX-JHJVBQTASA-N 2 2 221.348 2.250 20 0 BEADLP CSCC[C@H](C)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000597015331 348651248 /nfs/dbraw/zinc/65/12/48/348651248.db2.gz VEHLPHDMLVJFPS-JTQLQIEISA-N 2 2 241.404 2.302 20 0 BEADLP CSCC[C@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000597015331 348651249 /nfs/dbraw/zinc/65/12/49/348651249.db2.gz VEHLPHDMLVJFPS-JTQLQIEISA-N 2 2 241.404 2.302 20 0 BEADLP Cc1cnc(C[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000294707437 179601982 /nfs/dbraw/zinc/60/19/82/179601982.db2.gz HBUSSTKMCDQNFW-UHFFFAOYSA-N 2 2 241.404 2.129 20 0 BEADLP CCSCC[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000597213645 348681004 /nfs/dbraw/zinc/68/10/04/348681004.db2.gz MFCJVMKMWRVKHE-CYBMUJFWSA-N 2 2 244.448 2.450 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccn1C ZINC000339059574 179695863 /nfs/dbraw/zinc/69/58/63/179695863.db2.gz VOCHGCUEPNKFJY-UHFFFAOYSA-N 2 2 229.327 2.061 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)CCCCCC[NH3+] ZINC000237800457 179706074 /nfs/dbraw/zinc/70/60/74/179706074.db2.gz YQONOYQOYLWZDQ-UHFFFAOYSA-N 2 2 235.331 2.238 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250646348 538022472 /nfs/dbraw/zinc/02/24/72/538022472.db2.gz VLRMYTAIAZRAQT-NHYWBVRUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250646348 538022481 /nfs/dbraw/zinc/02/24/81/538022481.db2.gz VLRMYTAIAZRAQT-NHYWBVRUSA-N 2 2 248.345 2.497 20 0 BEADLP CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000249905237 349165700 /nfs/dbraw/zinc/16/57/00/349165700.db2.gz YBPBQUFGULXXQW-CHWSQXEVSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000249905237 349165703 /nfs/dbraw/zinc/16/57/03/349165703.db2.gz YBPBQUFGULXXQW-CHWSQXEVSA-N 2 2 210.365 2.393 20 0 BEADLP c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000250235457 349168627 /nfs/dbraw/zinc/16/86/27/349168627.db2.gz DTZSZIPXCASWMP-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000250235457 349168629 /nfs/dbraw/zinc/16/86/29/349168629.db2.gz DTZSZIPXCASWMP-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000380262280 349280668 /nfs/dbraw/zinc/28/06/68/349280668.db2.gz RZJNJNQQZQXZPP-CYBMUJFWSA-N 2 2 210.365 2.415 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000380262280 349280672 /nfs/dbraw/zinc/28/06/72/349280672.db2.gz RZJNJNQQZQXZPP-CYBMUJFWSA-N 2 2 210.365 2.415 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CCC[NH+](C)C)cs1 ZINC000022863087 180034965 /nfs/dbraw/zinc/03/49/65/180034965.db2.gz YJUXTMJUGWIYET-SECBINFHSA-N 2 2 227.377 2.054 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000049553984 180037457 /nfs/dbraw/zinc/03/74/57/180037457.db2.gz YZIJKFKBCCJHGM-NXEZZACHSA-N 2 2 241.404 2.442 20 0 BEADLP CC(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131987579 191019830 /nfs/dbraw/zinc/01/98/30/191019830.db2.gz BAFIKFJVWDEZKU-NWDGAFQWSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131987579 191019832 /nfs/dbraw/zinc/01/98/32/191019832.db2.gz BAFIKFJVWDEZKU-NWDGAFQWSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cs1 ZINC000293705259 180048547 /nfs/dbraw/zinc/04/85/47/180048547.db2.gz OSKOEUOYODKBNQ-UWVGGRQHSA-N 2 2 241.404 2.300 20 0 BEADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1CC1 ZINC000036882486 180103654 /nfs/dbraw/zinc/10/36/54/180103654.db2.gz RSXIXNWXRJYVAX-UHFFFAOYSA-N 2 2 229.327 2.344 20 0 BEADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000090720783 180159057 /nfs/dbraw/zinc/15/90/57/180159057.db2.gz JHGWWOMRUAEPCI-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000090720783 180159060 /nfs/dbraw/zinc/15/90/60/180159060.db2.gz JHGWWOMRUAEPCI-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(NCCC[N@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000054935689 180198234 /nfs/dbraw/zinc/19/82/34/180198234.db2.gz WXJSPYBAJDPWDU-LBPRGKRZSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)cc[nH+]1 ZINC000054935689 180198238 /nfs/dbraw/zinc/19/82/38/180198238.db2.gz WXJSPYBAJDPWDU-LBPRGKRZSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc[nH+]1 ZINC000130658162 180200436 /nfs/dbraw/zinc/20/04/36/180200436.db2.gz ZKTYFOWSCLRXBB-ZDUSSCGKSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)cc[nH+]1 ZINC000130658162 180200439 /nfs/dbraw/zinc/20/04/39/180200439.db2.gz ZKTYFOWSCLRXBB-ZDUSSCGKSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc[nH+]1 ZINC000174921521 180203650 /nfs/dbraw/zinc/20/36/50/180203650.db2.gz BQPXMGJXPDAMLY-NEPJUHHUSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C3CCCC3)C2)cc[nH+]1 ZINC000361016467 180208403 /nfs/dbraw/zinc/20/84/03/180208403.db2.gz IEDZAXBOVCYUHJ-LBPRGKRZSA-N 2 2 246.358 2.214 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C3CCCC3)C2)cc[nH+]1 ZINC000361016467 180208404 /nfs/dbraw/zinc/20/84/04/180208404.db2.gz IEDZAXBOVCYUHJ-LBPRGKRZSA-N 2 2 246.358 2.214 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325027970 323309060 /nfs/dbraw/zinc/30/90/60/323309060.db2.gz KZAIFVFMZHEOIC-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386229665 362951825 /nfs/dbraw/zinc/95/18/25/362951825.db2.gz LXYKHXLBIUXRNU-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386229665 362951831 /nfs/dbraw/zinc/95/18/31/362951831.db2.gz LXYKHXLBIUXRNU-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1[C@H](C)CC[C@H]1C ZINC000336585807 180253435 /nfs/dbraw/zinc/25/34/35/180253435.db2.gz KJXCFKBRMAIBAM-GHMZBOCLSA-N 2 2 207.321 2.064 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2C1 ZINC000299043853 180255062 /nfs/dbraw/zinc/25/50/62/180255062.db2.gz NUYBVJONKYEILV-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2C1 ZINC000299043853 180255064 /nfs/dbraw/zinc/25/50/64/180255064.db2.gz NUYBVJONKYEILV-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1Cc2ccccc2C1 ZINC000270903342 180255941 /nfs/dbraw/zinc/25/59/41/180255941.db2.gz RQLZATJVZCBKSO-UHFFFAOYSA-N 2 2 227.311 2.207 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086725152 490417044 /nfs/dbraw/zinc/41/70/44/490417044.db2.gz GNJJLOWUXNZQIM-JOYOIKCWSA-N 2 2 224.735 2.353 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000050228055 350315148 /nfs/dbraw/zinc/31/51/48/350315148.db2.gz JHOFOWUJHUDLHE-CYBMUJFWSA-N 2 2 234.343 2.007 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000050228055 350315152 /nfs/dbraw/zinc/31/51/52/350315152.db2.gz JHOFOWUJHUDLHE-CYBMUJFWSA-N 2 2 234.343 2.007 20 0 BEADLP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000162689003 350317267 /nfs/dbraw/zinc/31/72/67/350317267.db2.gz GGOYWEKYOHZCKR-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccncc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000162689003 350317273 /nfs/dbraw/zinc/31/72/73/350317273.db2.gz GGOYWEKYOHZCKR-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427870917 191098107 /nfs/dbraw/zinc/09/81/07/191098107.db2.gz HCQSMJHCZZAHTE-UPJWGTAASA-N 2 2 233.359 2.366 20 0 BEADLP CCc1cc(NCCC[NH+](CC)CC)nc[nH+]1 ZINC000040765047 350394664 /nfs/dbraw/zinc/39/46/64/350394664.db2.gz KJSIGXPQBYOFIC-UHFFFAOYSA-N 2 2 236.363 2.183 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000162803676 350432958 /nfs/dbraw/zinc/43/29/58/350432958.db2.gz PYFQQIYNMOLMME-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000162803575 350433026 /nfs/dbraw/zinc/43/30/26/350433026.db2.gz PYFQQIYNMOLMME-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539746 350500778 /nfs/dbraw/zinc/50/07/78/350500778.db2.gz KZVOSBBGCYLGHT-KCPJHIHWSA-N 3 2 247.386 2.061 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000321106103 323376961 /nfs/dbraw/zinc/37/69/61/323376961.db2.gz PURQYAXOLPIXBV-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000070558445 350534624 /nfs/dbraw/zinc/53/46/24/350534624.db2.gz SSSRXQCLYLZVRW-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000163520789 350523892 /nfs/dbraw/zinc/52/38/92/350523892.db2.gz RNLBIWDXYJOHDW-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000163520789 350523893 /nfs/dbraw/zinc/52/38/93/350523893.db2.gz RNLBIWDXYJOHDW-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000092349796 362966689 /nfs/dbraw/zinc/96/66/89/362966689.db2.gz CYZJRBWVDGWTGJ-GFCCVEGCSA-N 2 2 247.342 2.108 20 0 BEADLP CCCC[C@@H](CC)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000339406371 350755370 /nfs/dbraw/zinc/75/53/70/350755370.db2.gz FYSZQXCAMXIRBD-KGLIPLIRSA-N 2 2 242.407 2.252 20 0 BEADLP CCCC[C@@H](CC)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000339406371 350755372 /nfs/dbraw/zinc/75/53/72/350755372.db2.gz FYSZQXCAMXIRBD-KGLIPLIRSA-N 2 2 242.407 2.252 20 0 BEADLP CCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000385159412 350777180 /nfs/dbraw/zinc/77/71/80/350777180.db2.gz DYVHZNHUGIBSSE-UHFFFAOYSA-N 2 2 248.370 2.399 20 0 BEADLP CCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000385159412 350777183 /nfs/dbraw/zinc/77/71/83/350777183.db2.gz DYVHZNHUGIBSSE-UHFFFAOYSA-N 2 2 248.370 2.399 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)C ZINC000163792254 350846033 /nfs/dbraw/zinc/84/60/33/350846033.db2.gz LMBRWRWQCXENQA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)C ZINC000163792254 350846037 /nfs/dbraw/zinc/84/60/37/350846037.db2.gz LMBRWRWQCXENQA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000019960035 350917014 /nfs/dbraw/zinc/91/70/14/350917014.db2.gz APZPSLSEMUJPGI-JSGCOSHPSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000019960035 350917019 /nfs/dbraw/zinc/91/70/19/350917019.db2.gz APZPSLSEMUJPGI-JSGCOSHPSA-N 2 2 233.359 2.217 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccn1 ZINC000623562375 362986328 /nfs/dbraw/zinc/98/63/28/362986328.db2.gz PWIDZDSNOMPABB-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccn1 ZINC000623562375 362986329 /nfs/dbraw/zinc/98/63/29/362986329.db2.gz PWIDZDSNOMPABB-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000336677869 350886805 /nfs/dbraw/zinc/88/68/05/350886805.db2.gz CCIOURCLDOOMOZ-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000336677869 350886810 /nfs/dbraw/zinc/88/68/10/350886810.db2.gz CCIOURCLDOOMOZ-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000052921811 351077965 /nfs/dbraw/zinc/07/79/65/351077965.db2.gz JZJWKMXHLURXIZ-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000052921811 351077967 /nfs/dbraw/zinc/07/79/67/351077967.db2.gz JZJWKMXHLURXIZ-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000623589401 363022938 /nfs/dbraw/zinc/02/29/38/363022938.db2.gz JFZAURWFFLZDFC-FRRDWIJNSA-N 2 2 245.370 2.355 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000628350900 351312034 /nfs/dbraw/zinc/31/20/34/351312034.db2.gz RALJURCAOHBUMR-JQWIXIFHSA-N 2 2 246.345 2.494 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC(F)(F)C2)C1 ZINC000628350900 351312037 /nfs/dbraw/zinc/31/20/37/351312037.db2.gz RALJURCAOHBUMR-JQWIXIFHSA-N 2 2 246.345 2.494 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2ccns2)CC1 ZINC000404435725 351446234 /nfs/dbraw/zinc/44/62/34/351446234.db2.gz RJSDBVPBOJBFHV-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP C([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000623614604 363055020 /nfs/dbraw/zinc/05/50/20/363055020.db2.gz RUOUDLJPQLXQFQ-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000623614604 363055025 /nfs/dbraw/zinc/05/50/25/363055025.db2.gz RUOUDLJPQLXQFQ-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](F)C2)n1C ZINC000577769354 366059422 /nfs/dbraw/zinc/05/94/22/366059422.db2.gz IQYMICRCESZWQG-QWRGUYRKSA-N 2 2 225.311 2.099 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CCC[C@@H]3CCO3)C2)c[nH+]1 ZINC000638017464 351896353 /nfs/dbraw/zinc/89/63/53/351896353.db2.gz HJCRAVWHVJMTDP-UONOGXRCSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CCC[C@@H]3CCO3)C2)c[nH+]1 ZINC000638017464 351896355 /nfs/dbraw/zinc/89/63/55/351896355.db2.gz HJCRAVWHVJMTDP-UONOGXRCSA-N 2 2 249.358 2.089 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)sn1 ZINC000638018553 351896896 /nfs/dbraw/zinc/89/68/96/351896896.db2.gz QZLXHBGBCHZLHH-NSHDSACASA-N 2 2 248.355 2.177 20 0 BEADLP c1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)sn1 ZINC000638018553 351896897 /nfs/dbraw/zinc/89/68/97/351896897.db2.gz QZLXHBGBCHZLHH-NSHDSACASA-N 2 2 248.355 2.177 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252740821 538101675 /nfs/dbraw/zinc/10/16/75/538101675.db2.gz JYDIAJYNMCOFTI-RYUDHWBXSA-N 2 2 247.342 2.129 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252740821 538101676 /nfs/dbraw/zinc/10/16/76/538101676.db2.gz JYDIAJYNMCOFTI-RYUDHWBXSA-N 2 2 247.342 2.129 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C ZINC000252748412 538101960 /nfs/dbraw/zinc/10/19/60/538101960.db2.gz SSUCTAXJLDISFV-ZYHUDNBSSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C ZINC000252748412 538101962 /nfs/dbraw/zinc/10/19/62/538101962.db2.gz SSUCTAXJLDISFV-ZYHUDNBSSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCSCC1 ZINC000638359765 352172495 /nfs/dbraw/zinc/17/24/95/352172495.db2.gz RGWDUOJSGUAXIW-NSHDSACASA-N 2 2 239.388 2.004 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000638363136 352172897 /nfs/dbraw/zinc/17/28/97/352172897.db2.gz JCLSTRRGXNVPAN-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000638363136 352172901 /nfs/dbraw/zinc/17/29/01/352172901.db2.gz JCLSTRRGXNVPAN-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP CCCC[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000290096841 352209766 /nfs/dbraw/zinc/20/97/66/352209766.db2.gz ZWNMNTOTFXZXCF-LBPRGKRZSA-N 2 2 209.337 2.394 20 0 BEADLP CCCC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000290096841 352209769 /nfs/dbraw/zinc/20/97/69/352209769.db2.gz ZWNMNTOTFXZXCF-LBPRGKRZSA-N 2 2 209.337 2.394 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000638408238 352213906 /nfs/dbraw/zinc/21/39/06/352213906.db2.gz FSQYRIQDVHPJGW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000638408238 352213909 /nfs/dbraw/zinc/21/39/09/352213909.db2.gz FSQYRIQDVHPJGW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H](C)OC ZINC000291046563 352257253 /nfs/dbraw/zinc/25/72/53/352257253.db2.gz HKARKPWHIUOTCL-GFCCVEGCSA-N 2 2 247.342 2.191 20 0 BEADLP CC[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H](C)OC ZINC000291046563 352257257 /nfs/dbraw/zinc/25/72/57/352257257.db2.gz HKARKPWHIUOTCL-GFCCVEGCSA-N 2 2 247.342 2.191 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000638582598 352413412 /nfs/dbraw/zinc/41/34/12/352413412.db2.gz RUZRYNQNHOPKCY-CQSZACIVSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000638582598 352413414 /nfs/dbraw/zinc/41/34/14/352413414.db2.gz RUZRYNQNHOPKCY-CQSZACIVSA-N 2 2 236.403 2.497 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000638585554 352417867 /nfs/dbraw/zinc/41/78/67/352417867.db2.gz BBUIIGDRWHUNPJ-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CC1(COC)CCC1 ZINC000638585554 352417869 /nfs/dbraw/zinc/41/78/69/352417869.db2.gz BBUIIGDRWHUNPJ-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044540461 352654459 /nfs/dbraw/zinc/65/44/59/352654459.db2.gz UPTPCMMUIDNXLJ-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCOc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044540461 352654461 /nfs/dbraw/zinc/65/44/61/352654461.db2.gz UPTPCMMUIDNXLJ-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000043326293 352636446 /nfs/dbraw/zinc/63/64/46/352636446.db2.gz JOBVIBDQYCYWKH-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043327156 352637518 /nfs/dbraw/zinc/63/75/18/352637518.db2.gz QQDJKGQCUGVKDF-JSGCOSHPSA-N 2 2 218.344 2.398 20 0 BEADLP c1cn([C@H]2CCCN(c3cccc[nH+]3)C2)c[nH+]1 ZINC000608083269 352755804 /nfs/dbraw/zinc/75/58/04/352755804.db2.gz UHDILOPZLXVAGW-LBPRGKRZSA-N 2 2 228.299 2.120 20 0 BEADLP CC(C)[C@H]([NH3+])CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000420214368 192176271 /nfs/dbraw/zinc/17/62/71/192176271.db2.gz ZTKISRFHGOIZAK-GFCCVEGCSA-N 2 2 248.374 2.164 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000334192768 352784302 /nfs/dbraw/zinc/78/43/02/352784302.db2.gz JQFCCRBHAUPEAK-PWSUYJOCSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000334192768 352784307 /nfs/dbraw/zinc/78/43/07/352784307.db2.gz JQFCCRBHAUPEAK-PWSUYJOCSA-N 2 2 233.359 2.435 20 0 BEADLP COCC1([NH2+]CCCc2ccc(C)[nH+]c2)CCC1 ZINC000342857041 352877531 /nfs/dbraw/zinc/87/75/31/352877531.db2.gz BQMHSFUGYMZVMT-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000334328382 352965231 /nfs/dbraw/zinc/96/52/31/352965231.db2.gz MUQXJGMFOBMGCQ-NWDGAFQWSA-N 2 2 231.343 2.120 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000261583512 535197021 /nfs/dbraw/zinc/19/70/21/535197021.db2.gz PATCDMQALBHRGF-NSHDSACASA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000261583512 535197026 /nfs/dbraw/zinc/19/70/26/535197026.db2.gz PATCDMQALBHRGF-NSHDSACASA-N 2 2 212.381 2.482 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000221159795 188009228 /nfs/dbraw/zinc/00/92/28/188009228.db2.gz ZALNNUGRMKVDHJ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000221159795 188009229 /nfs/dbraw/zinc/00/92/29/188009229.db2.gz ZALNNUGRMKVDHJ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336654508 188011290 /nfs/dbraw/zinc/01/12/90/188011290.db2.gz GTEHBCUEVRLZLR-DGCLKSJQSA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000336654508 188011291 /nfs/dbraw/zinc/01/12/91/188011291.db2.gz GTEHBCUEVRLZLR-DGCLKSJQSA-N 2 2 240.416 2.098 20 0 BEADLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1ccco1 ZINC000297906603 188040268 /nfs/dbraw/zinc/04/02/68/188040268.db2.gz RYESOFDCZQYBMO-UHFFFAOYSA-N 2 2 247.342 2.466 20 0 BEADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccco1 ZINC000297906603 188040269 /nfs/dbraw/zinc/04/02/69/188040269.db2.gz RYESOFDCZQYBMO-UHFFFAOYSA-N 2 2 247.342 2.466 20 0 BEADLP CC(C)(C)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346283311 188051931 /nfs/dbraw/zinc/05/19/31/188051931.db2.gz WQHYXIXKVUFGTJ-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)(C)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000346283311 188051933 /nfs/dbraw/zinc/05/19/33/188051933.db2.gz WQHYXIXKVUFGTJ-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1oncc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336550049 188057494 /nfs/dbraw/zinc/05/74/94/188057494.db2.gz VMXXXDPEKPICHO-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000310042473 538111127 /nfs/dbraw/zinc/11/11/27/538111127.db2.gz ZKXRPKBMTVSEMX-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000310042473 538111128 /nfs/dbraw/zinc/11/11/28/538111128.db2.gz ZKXRPKBMTVSEMX-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000310042474 538111145 /nfs/dbraw/zinc/11/11/45/538111145.db2.gz ZKXRPKBMTVSEMX-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000310042474 538111146 /nfs/dbraw/zinc/11/11/46/538111146.db2.gz ZKXRPKBMTVSEMX-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304490212 188250642 /nfs/dbraw/zinc/25/06/42/188250642.db2.gz BSHMZEDMYZXZCZ-HZSPNIEDSA-N 2 2 222.376 2.251 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252172842 353296753 /nfs/dbraw/zinc/29/67/53/353296753.db2.gz OICBJEAPPOWDLN-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252172842 353296755 /nfs/dbraw/zinc/29/67/55/353296755.db2.gz OICBJEAPPOWDLN-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336659392 188339522 /nfs/dbraw/zinc/33/95/22/188339522.db2.gz JEZDSQUAKHUKBB-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336659392 188339525 /nfs/dbraw/zinc/33/95/25/188339525.db2.gz JEZDSQUAKHUKBB-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)[NH+](C)C ZINC000304501843 188324811 /nfs/dbraw/zinc/32/48/11/188324811.db2.gz NHQGNHNRWSLNMZ-YNEHKIRRSA-N 2 2 244.448 2.304 20 0 BEADLP F[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000334502593 353342396 /nfs/dbraw/zinc/34/23/96/353342396.db2.gz FIFADGXPSAVRSQ-QWRGUYRKSA-N 2 2 233.290 2.315 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+](C)C ZINC000310552184 188348292 /nfs/dbraw/zinc/34/82/92/188348292.db2.gz UWEGRDTXLQQMRJ-KBPBESRZSA-N 3 2 243.439 2.070 20 0 BEADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000292111848 188390063 /nfs/dbraw/zinc/39/00/63/188390063.db2.gz JBUMEXQPAIVMFW-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000292111848 188390065 /nfs/dbraw/zinc/39/00/65/188390065.db2.gz JBUMEXQPAIVMFW-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000292111848 188390066 /nfs/dbraw/zinc/39/00/66/188390066.db2.gz JBUMEXQPAIVMFW-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000292111848 188390068 /nfs/dbraw/zinc/39/00/68/188390068.db2.gz JBUMEXQPAIVMFW-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1ccco1 ZINC000270781385 188375953 /nfs/dbraw/zinc/37/59/53/188375953.db2.gz AAORVHMPJXWMDG-UHFFFAOYSA-N 2 2 233.315 2.387 20 0 BEADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccco1 ZINC000270781385 188375955 /nfs/dbraw/zinc/37/59/55/188375955.db2.gz AAORVHMPJXWMDG-UHFFFAOYSA-N 2 2 233.315 2.387 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC(F)(F)C1 ZINC000529529563 353737773 /nfs/dbraw/zinc/73/77/73/353737773.db2.gz BZASUSAHEOVBQF-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC(F)(F)C1 ZINC000529529563 353737776 /nfs/dbraw/zinc/73/77/76/353737776.db2.gz BZASUSAHEOVBQF-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994599 181011403 /nfs/dbraw/zinc/01/14/03/181011403.db2.gz BMZOPSYLEPPXCL-CQSZACIVSA-N 2 2 234.318 2.011 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994599 181011404 /nfs/dbraw/zinc/01/14/04/181011404.db2.gz BMZOPSYLEPPXCL-CQSZACIVSA-N 2 2 234.318 2.011 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000233516740 353819778 /nfs/dbraw/zinc/81/97/78/353819778.db2.gz SWRFQXJIDRYGQZ-UHFFFAOYSA-N 2 2 230.714 2.178 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2cnc(C)s2)CC1 ZINC000037991343 358481043 /nfs/dbraw/zinc/48/10/43/358481043.db2.gz QDRIIFQBPCYFCQ-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000343609644 353933266 /nfs/dbraw/zinc/93/32/66/353933266.db2.gz QBAQXAUOHDVNCT-RGCMKSIDSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000343609644 353933267 /nfs/dbraw/zinc/93/32/67/353933267.db2.gz QBAQXAUOHDVNCT-RGCMKSIDSA-N 2 2 236.403 2.495 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC(C)(C)C1 ZINC000334542883 353978080 /nfs/dbraw/zinc/97/80/80/353978080.db2.gz JNZTWLOVKURJJD-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCC(C)(C)C1 ZINC000334542883 353978081 /nfs/dbraw/zinc/97/80/81/353978081.db2.gz JNZTWLOVKURJJD-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334556067 354002041 /nfs/dbraw/zinc/00/20/41/354002041.db2.gz SFRJIUMSZVWNNS-LLVKDONJSA-N 2 2 220.360 2.145 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334556067 354002044 /nfs/dbraw/zinc/00/20/44/354002044.db2.gz SFRJIUMSZVWNNS-LLVKDONJSA-N 2 2 220.360 2.145 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334566836 354088512 /nfs/dbraw/zinc/08/85/12/354088512.db2.gz QRLWDOZKVUXOGF-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334566836 354088514 /nfs/dbraw/zinc/08/85/14/354088514.db2.gz QRLWDOZKVUXOGF-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529533288 324328301 /nfs/dbraw/zinc/32/83/01/324328301.db2.gz LKGZSZJWRRGDNG-NXEZZACHSA-N 2 2 243.301 2.295 20 0 BEADLP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC000639171361 354135424 /nfs/dbraw/zinc/13/54/24/354135424.db2.gz AXTNZXOYUUEFBV-MJBXVCDLSA-N 2 2 234.387 2.203 20 0 BEADLP C([C@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[NH+]2CCC1CC2 ZINC000639171361 354135425 /nfs/dbraw/zinc/13/54/25/354135425.db2.gz AXTNZXOYUUEFBV-MJBXVCDLSA-N 2 2 234.387 2.203 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)no1 ZINC000639174449 354183858 /nfs/dbraw/zinc/18/38/58/354183858.db2.gz BRCXRIUQXGVQRP-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)no1 ZINC000639174449 354183861 /nfs/dbraw/zinc/18/38/61/354183861.db2.gz BRCXRIUQXGVQRP-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP CC(C)C[C@@H](C[NH2+]C1CC(C)C1)[NH+](C)C ZINC000231787400 363352819 /nfs/dbraw/zinc/35/28/19/363352819.db2.gz KRBVHBSCUIIRAP-BPCQOVAHSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000449740491 202015264 /nfs/dbraw/zinc/01/52/64/202015264.db2.gz GTDAFAFCFYNBTC-DNVSUFBTSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000449740491 202015268 /nfs/dbraw/zinc/01/52/68/202015268.db2.gz GTDAFAFCFYNBTC-DNVSUFBTSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742652 202018498 /nfs/dbraw/zinc/01/84/98/202018498.db2.gz PXZVHPMBQNLOLC-HQRZJTNHSA-N 2 2 234.387 2.105 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742652 202018500 /nfs/dbraw/zinc/01/85/00/202018500.db2.gz PXZVHPMBQNLOLC-HQRZJTNHSA-N 2 2 234.387 2.105 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000449739495 202015734 /nfs/dbraw/zinc/01/57/34/202015734.db2.gz AXQGQQGPMBXMGI-JSGCOSHPSA-N 2 2 241.338 2.470 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000449740492 202015754 /nfs/dbraw/zinc/01/57/54/202015754.db2.gz GTDAFAFCFYNBTC-HTUGSXCWSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000449740492 202015758 /nfs/dbraw/zinc/01/57/58/202015758.db2.gz GTDAFAFCFYNBTC-HTUGSXCWSA-N 2 2 234.387 2.247 20 0 BEADLP CSc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000334585405 354208736 /nfs/dbraw/zinc/20/87/36/354208736.db2.gz FZOWOOWGDLRKMH-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000334585405 354208738 /nfs/dbraw/zinc/20/87/38/354208738.db2.gz FZOWOOWGDLRKMH-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000344457066 354263980 /nfs/dbraw/zinc/26/39/80/354263980.db2.gz INOYGFZLPSVEEJ-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000344457066 354263983 /nfs/dbraw/zinc/26/39/83/354263983.db2.gz INOYGFZLPSVEEJ-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000344457070 354264037 /nfs/dbraw/zinc/26/40/37/354264037.db2.gz INOYGFZLPSVEEJ-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000344457070 354264038 /nfs/dbraw/zinc/26/40/38/354264038.db2.gz INOYGFZLPSVEEJ-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(C)C1 ZINC000231787455 363353990 /nfs/dbraw/zinc/35/39/90/363353990.db2.gz AZEFZLLQGIRPCY-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP c1csc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000334733954 354534422 /nfs/dbraw/zinc/53/44/22/354534422.db2.gz IHQGFTULJPNEHA-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(F)(F)C1 ZINC000345951309 354818308 /nfs/dbraw/zinc/81/83/08/354818308.db2.gz TVXCSYWOIAVJDN-UHFFFAOYSA-N 2 2 243.301 2.313 20 0 BEADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC(F)(F)C1 ZINC000345951309 354818313 /nfs/dbraw/zinc/81/83/13/354818313.db2.gz TVXCSYWOIAVJDN-UHFFFAOYSA-N 2 2 243.301 2.313 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000335144533 354852159 /nfs/dbraw/zinc/85/21/59/354852159.db2.gz KTARDLCHTPQHPE-GFCCVEGCSA-N 2 2 247.367 2.471 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000335144533 354852160 /nfs/dbraw/zinc/85/21/60/354852160.db2.gz KTARDLCHTPQHPE-GFCCVEGCSA-N 2 2 247.367 2.471 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000335144813 354853015 /nfs/dbraw/zinc/85/30/15/354853015.db2.gz XMJYOVIZJGCLOB-LLVKDONJSA-N 2 2 231.299 2.003 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000335144813 354853018 /nfs/dbraw/zinc/85/30/18/354853018.db2.gz XMJYOVIZJGCLOB-LLVKDONJSA-N 2 2 231.299 2.003 20 0 BEADLP CCC1(CC)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346315482 354894088 /nfs/dbraw/zinc/89/40/88/354894088.db2.gz SLSGCYGTEHTQFF-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CCC1(CC)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346315482 354894090 /nfs/dbraw/zinc/89/40/90/354894090.db2.gz SLSGCYGTEHTQFF-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cs1 ZINC000335175067 354942397 /nfs/dbraw/zinc/94/23/97/354942397.db2.gz CYUKNVKLOMCIEG-JQWIXIFHSA-N 2 2 224.373 2.459 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)[nH]1 ZINC000346448462 354944379 /nfs/dbraw/zinc/94/43/79/354944379.db2.gz SQXDPVLBXPGSLB-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)[nH]1 ZINC000346448462 354944381 /nfs/dbraw/zinc/94/43/81/354944381.db2.gz SQXDPVLBXPGSLB-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000346567861 354971162 /nfs/dbraw/zinc/97/11/62/354971162.db2.gz VLIIRNSVAHALMX-STQMWFEESA-N 2 2 249.358 2.041 20 0 BEADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000346567851 354971211 /nfs/dbraw/zinc/97/12/11/354971211.db2.gz VLIIRNSVAHALMX-CHWSQXEVSA-N 2 2 249.358 2.041 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000346552006 354984598 /nfs/dbraw/zinc/98/45/98/354984598.db2.gz HXOTYSJUKRJZQB-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000346552006 354984600 /nfs/dbraw/zinc/98/46/00/354984600.db2.gz HXOTYSJUKRJZQB-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H](C[N@@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000346630506 354998502 /nfs/dbraw/zinc/99/85/02/354998502.db2.gz CLDZJTRIGSSGCV-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@@H](C[N@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000346630506 354998503 /nfs/dbraw/zinc/99/85/03/354998503.db2.gz CLDZJTRIGSSGCV-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000335213452 355050834 /nfs/dbraw/zinc/05/08/34/355050834.db2.gz AYBWZMDSPLAJDV-GXTWGEPZSA-N 2 2 218.344 2.316 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346804311 355109609 /nfs/dbraw/zinc/10/96/09/355109609.db2.gz HARHBIJONVJKMV-HZSPNIEDSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346804311 355109612 /nfs/dbraw/zinc/10/96/12/355109612.db2.gz HARHBIJONVJKMV-HZSPNIEDSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000347017870 355206901 /nfs/dbraw/zinc/20/69/01/355206901.db2.gz KRRZNSFVNZWVPZ-PGLGOXFNSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000347017870 355206903 /nfs/dbraw/zinc/20/69/03/355206903.db2.gz KRRZNSFVNZWVPZ-PGLGOXFNSA-N 2 2 222.307 2.118 20 0 BEADLP CC[C@@H]1COCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000347630323 355241271 /nfs/dbraw/zinc/24/12/71/355241271.db2.gz DJHVIBRLZOMSQX-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@@H]1COCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000347630323 355241274 /nfs/dbraw/zinc/24/12/74/355241274.db2.gz DJHVIBRLZOMSQX-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)OC ZINC000412980111 191350175 /nfs/dbraw/zinc/35/01/75/191350175.db2.gz WDBKGOOAGKUZPR-GFCCVEGCSA-N 2 2 237.347 2.014 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000639266402 355325365 /nfs/dbraw/zinc/32/53/65/355325365.db2.gz JQRMKPYMKYJGHK-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000639266402 355325367 /nfs/dbraw/zinc/32/53/67/355325367.db2.gz JQRMKPYMKYJGHK-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP COC1CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000414825662 191587765 /nfs/dbraw/zinc/58/77/65/191587765.db2.gz CSVFEANTVVAEDS-YMAMQOFZSA-N 2 2 248.370 2.234 20 0 BEADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414850040 191600327 /nfs/dbraw/zinc/60/03/27/191600327.db2.gz RYPHHVCCGDHUAC-NPPUXFBVSA-N 2 2 234.318 2.181 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H](CC[NH3+])C(F)F ZINC000414989351 191643056 /nfs/dbraw/zinc/64/30/56/191643056.db2.gz MPZPTWIGNVGHKJ-VHSXEESVSA-N 2 2 222.323 2.241 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000414950444 191631881 /nfs/dbraw/zinc/63/18/81/191631881.db2.gz HUDTYLPCNFMTRZ-WFASDCNBSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000415072951 191668129 /nfs/dbraw/zinc/66/81/29/191668129.db2.gz XOUYFCLHFBWPIX-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC1(F)F ZINC000639302788 355649919 /nfs/dbraw/zinc/64/99/19/355649919.db2.gz ITPPYNBYSDEHCR-DCAQKATOSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CC1(F)F ZINC000639302788 355649924 /nfs/dbraw/zinc/64/99/24/355649924.db2.gz ITPPYNBYSDEHCR-DCAQKATOSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000639305775 355669911 /nfs/dbraw/zinc/66/99/11/355669911.db2.gz WZSBJIDOAHHZAS-UTUOFQBUSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000639305775 355669913 /nfs/dbraw/zinc/66/99/13/355669913.db2.gz WZSBJIDOAHHZAS-UTUOFQBUSA-N 2 2 242.432 2.343 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000639330335 355747113 /nfs/dbraw/zinc/74/71/13/355747113.db2.gz NZGNPZHIDAMDSF-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000639330335 355747115 /nfs/dbraw/zinc/74/71/15/355747115.db2.gz NZGNPZHIDAMDSF-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000399131345 355759896 /nfs/dbraw/zinc/75/98/96/355759896.db2.gz XKMCGMNPTGPHCU-JMSVASOKSA-N 2 2 243.354 2.349 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C)c2)C1 ZINC000389150610 355728400 /nfs/dbraw/zinc/72/84/00/355728400.db2.gz JHJUZGZWNZDDOM-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(C)c2)C1 ZINC000389150610 355728402 /nfs/dbraw/zinc/72/84/02/355728402.db2.gz JHJUZGZWNZDDOM-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639354196 355804276 /nfs/dbraw/zinc/80/42/76/355804276.db2.gz DXQBDRPNFFPWDR-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639354196 355804279 /nfs/dbraw/zinc/80/42/79/355804279.db2.gz DXQBDRPNFFPWDR-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000608492290 355813172 /nfs/dbraw/zinc/81/31/72/355813172.db2.gz FIWQZGFRZUCMMD-GFCCVEGCSA-N 2 2 233.359 2.169 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c[nH+]1 ZINC000639377225 355903197 /nfs/dbraw/zinc/90/31/97/355903197.db2.gz JZJOVSJNBMDUPH-GZBFAFLISA-N 2 2 248.370 2.478 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351321604 355978269 /nfs/dbraw/zinc/97/82/69/355978269.db2.gz BNTFVZGKCQDWLW-GRYCIOLGSA-N 2 2 219.332 2.245 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351321604 355978272 /nfs/dbraw/zinc/97/82/72/355978272.db2.gz BNTFVZGKCQDWLW-GRYCIOLGSA-N 2 2 219.332 2.245 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000584350696 356064286 /nfs/dbraw/zinc/06/42/86/356064286.db2.gz YFXSILPJYOFREH-RUOPDXTDSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000584350696 356064289 /nfs/dbraw/zinc/06/42/89/356064289.db2.gz YFXSILPJYOFREH-RUOPDXTDSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000584350695 356064300 /nfs/dbraw/zinc/06/43/00/356064300.db2.gz YFXSILPJYOFREH-NNZPWHBESA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000584350695 356064302 /nfs/dbraw/zinc/06/43/02/356064302.db2.gz YFXSILPJYOFREH-NNZPWHBESA-N 2 2 236.403 2.352 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)o1 ZINC000639396377 356097753 /nfs/dbraw/zinc/09/77/53/356097753.db2.gz KITFYFZIXPWWLF-AWEZNQCLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)o1 ZINC000639396377 356097758 /nfs/dbraw/zinc/09/77/58/356097758.db2.gz KITFYFZIXPWWLF-AWEZNQCLSA-N 2 2 234.343 2.114 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nccs1 ZINC000336103255 134084274 /nfs/dbraw/zinc/08/42/74/134084274.db2.gz UMWIHDGDJGADMH-VHSXEESVSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[NH+]1CCCCC1 ZINC000128255705 324814874 /nfs/dbraw/zinc/81/48/74/324814874.db2.gz FDHSELLFJSNTDG-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000420296976 192204220 /nfs/dbraw/zinc/20/42/20/192204220.db2.gz XTGVBZXVYSJHMY-RYUDHWBXSA-N 2 2 239.363 2.349 20 0 BEADLP Cc1cnc([C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000420296976 192204221 /nfs/dbraw/zinc/20/42/21/192204221.db2.gz XTGVBZXVYSJHMY-RYUDHWBXSA-N 2 2 239.363 2.349 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000420296610 192204364 /nfs/dbraw/zinc/20/43/64/192204364.db2.gz XGDQQYVSBFRTGY-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000420296610 192204366 /nfs/dbraw/zinc/20/43/66/192204366.db2.gz XGDQQYVSBFRTGY-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000420296975 192204765 /nfs/dbraw/zinc/20/47/65/192204765.db2.gz XTGVBZXVYSJHMY-NWDGAFQWSA-N 2 2 239.363 2.349 20 0 BEADLP Cc1cnc([C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000420296975 192204767 /nfs/dbraw/zinc/20/47/67/192204767.db2.gz XTGVBZXVYSJHMY-NWDGAFQWSA-N 2 2 239.363 2.349 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H]([NH2+]C)C2)c1 ZINC000420277039 192198098 /nfs/dbraw/zinc/19/80/98/192198098.db2.gz SSQFQHXGPUFZLM-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H]([NH2+]C)C2)c1 ZINC000420277039 192198100 /nfs/dbraw/zinc/19/81/00/192198100.db2.gz SSQFQHXGPUFZLM-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290928 192201011 /nfs/dbraw/zinc/20/10/11/192201011.db2.gz MQCWOTXBMMLLEV-CMPLNLGQSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290928 192201014 /nfs/dbraw/zinc/20/10/14/192201014.db2.gz MQCWOTXBMMLLEV-CMPLNLGQSA-N 2 2 249.358 2.111 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000420342828 192216286 /nfs/dbraw/zinc/21/62/86/192216286.db2.gz YFNXXBZQTVAMFT-CQSZACIVSA-N 2 2 236.334 2.354 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000420342828 192216289 /nfs/dbraw/zinc/21/62/89/192216289.db2.gz YFNXXBZQTVAMFT-CQSZACIVSA-N 2 2 236.334 2.354 20 0 BEADLP C(CC1CCCC1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420341454 192216549 /nfs/dbraw/zinc/21/65/49/192216549.db2.gz OPHPQDRQDIJNJN-KGLIPLIRSA-N 2 2 222.376 2.251 20 0 BEADLP C(CC1CCCC1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420341454 192216551 /nfs/dbraw/zinc/21/65/51/192216551.db2.gz OPHPQDRQDIJNJN-KGLIPLIRSA-N 2 2 222.376 2.251 20 0 BEADLP Cc1csc([C@@H]2CCCC[N@@H+]2CCC[NH3+])n1 ZINC000420308642 192211265 /nfs/dbraw/zinc/21/12/65/192211265.db2.gz DEJOEJWIPFWYCL-NSHDSACASA-N 2 2 239.388 2.327 20 0 BEADLP Cc1csc([C@@H]2CCCC[N@H+]2CCC[NH3+])n1 ZINC000420308642 192211268 /nfs/dbraw/zinc/21/12/68/192211268.db2.gz DEJOEJWIPFWYCL-NSHDSACASA-N 2 2 239.388 2.327 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000420316581 192212368 /nfs/dbraw/zinc/21/23/68/192212368.db2.gz MOTONUXDQMCROX-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000420316581 192212370 /nfs/dbraw/zinc/21/23/70/192212370.db2.gz MOTONUXDQMCROX-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000420366358 192225972 /nfs/dbraw/zinc/22/59/72/192225972.db2.gz UEGFCWFZVOADDK-LBPRGKRZSA-N 2 2 239.388 2.198 20 0 BEADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000420366358 192225973 /nfs/dbraw/zinc/22/59/73/192225973.db2.gz UEGFCWFZVOADDK-LBPRGKRZSA-N 2 2 239.388 2.198 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1Cl ZINC000420372125 192230103 /nfs/dbraw/zinc/23/01/03/192230103.db2.gz LCDXNXHZXFHSDR-DTWKUNHWSA-N 2 2 212.724 2.338 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1cccnc1 ZINC000420372269 192230405 /nfs/dbraw/zinc/23/04/05/192230405.db2.gz QFEVCGWNXXJHPN-ZJQBRPOHSA-N 2 2 233.359 2.119 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420358371 192219639 /nfs/dbraw/zinc/21/96/39/192219639.db2.gz UEQHNFICFCNQOD-KBPBESRZSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420358371 192219640 /nfs/dbraw/zinc/21/96/40/192219640.db2.gz UEQHNFICFCNQOD-KBPBESRZSA-N 2 2 248.370 2.185 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOc1ccccc1 ZINC000420362194 192222026 /nfs/dbraw/zinc/22/20/26/192222026.db2.gz ILRBSOSZUNMCSR-NFAWXSAZSA-N 2 2 248.370 2.042 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccn1 ZINC000420361753 192222035 /nfs/dbraw/zinc/22/20/35/192222035.db2.gz IIXAUYBVRDZORJ-ZJQBRPOHSA-N 2 2 233.359 2.119 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1F ZINC000420360057 192222562 /nfs/dbraw/zinc/22/25/62/192222562.db2.gz GTWZOGWMYPBIRA-SUNKGSAMSA-N 2 2 236.334 2.302 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420366302 192225198 /nfs/dbraw/zinc/22/51/98/192225198.db2.gz MBEMDJWAUDYCCW-SLEUVZQESA-N 2 2 248.370 2.171 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420367699 192225432 /nfs/dbraw/zinc/22/54/32/192225432.db2.gz NCWAIHPWYXDSAC-UMVBOHGHSA-N 2 2 232.371 2.471 20 0 BEADLP CC[C@@H](C)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420384825 192234599 /nfs/dbraw/zinc/23/45/99/192234599.db2.gz GVUMSQLERQPEHL-DDTOSNHZSA-N 2 2 236.334 2.351 20 0 BEADLP CC[C@@H](C)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420384825 192234601 /nfs/dbraw/zinc/23/46/01/192234601.db2.gz GVUMSQLERQPEHL-DDTOSNHZSA-N 2 2 236.334 2.351 20 0 BEADLP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420388340 192235633 /nfs/dbraw/zinc/23/56/33/192235633.db2.gz WRMHGBGBDTXNSA-OWYVNGRQSA-N 2 2 234.318 2.092 20 0 BEADLP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000420388340 192235634 /nfs/dbraw/zinc/23/56/34/192235634.db2.gz WRMHGBGBDTXNSA-OWYVNGRQSA-N 2 2 234.318 2.092 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000420408903 192238972 /nfs/dbraw/zinc/23/89/72/192238972.db2.gz QBPSIBWJZSPSDQ-SFYZADRCSA-N 2 2 230.714 2.477 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(C)n1 ZINC000420374415 192231451 /nfs/dbraw/zinc/23/14/51/192231451.db2.gz RYAHVZIKBMHIOP-PSOPSSQASA-N 2 2 247.386 2.175 20 0 BEADLP CSC1(C[NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000304322156 491091883 /nfs/dbraw/zinc/09/18/83/491091883.db2.gz SFSCKUSLIUJYMM-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000086855842 535307487 /nfs/dbraw/zinc/30/74/87/535307487.db2.gz YDJVIMPWBOTWHY-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c(C)[nH+]1 ZINC000639604135 356524971 /nfs/dbraw/zinc/52/49/71/356524971.db2.gz LPXWPBBGOSVICH-BMIGLBTASA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(C)[nH+]1 ZINC000639604135 356524975 /nfs/dbraw/zinc/52/49/75/356524975.db2.gz LPXWPBBGOSVICH-BMIGLBTASA-N 2 2 248.370 2.210 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449781957 202034432 /nfs/dbraw/zinc/03/44/32/202034432.db2.gz JTEGNZFRWWTBCI-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449781957 202034434 /nfs/dbraw/zinc/03/44/34/202034434.db2.gz JTEGNZFRWWTBCI-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381479844 538467937 /nfs/dbraw/zinc/46/79/37/538467937.db2.gz SGCRXECDIMOWTJ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381479844 538467940 /nfs/dbraw/zinc/46/79/40/538467940.db2.gz SGCRXECDIMOWTJ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+][C@H](C)CCC[NH3+])C(F)(F)F ZINC000423070399 192557131 /nfs/dbraw/zinc/55/71/31/192557131.db2.gz NDTJAEKUVCGALP-SFYZADRCSA-N 2 2 212.259 2.044 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389421816 356657140 /nfs/dbraw/zinc/65/71/40/356657140.db2.gz VORQFCKPMIDUPW-RZIFZGNASA-N 2 2 230.355 2.384 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389421816 356657141 /nfs/dbraw/zinc/65/71/41/356657141.db2.gz VORQFCKPMIDUPW-RZIFZGNASA-N 2 2 230.355 2.384 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000070717619 325025827 /nfs/dbraw/zinc/02/58/27/325025827.db2.gz VQJQQTZEXOLNCT-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000070717619 325025832 /nfs/dbraw/zinc/02/58/32/325025832.db2.gz VQJQQTZEXOLNCT-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)[C@@H]1CCCC[NH2+]1 ZINC000423152011 192592132 /nfs/dbraw/zinc/59/21/32/192592132.db2.gz FCRTWVNJPYHCRV-VOAKCMCISA-N 2 2 248.374 2.009 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000356864331 356807287 /nfs/dbraw/zinc/80/72/87/356807287.db2.gz KUWOKQFHKPMIKP-GFCCVEGCSA-N 2 2 247.386 2.389 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nccs2)CC1(C)C ZINC000623364708 356826243 /nfs/dbraw/zinc/82/62/43/356826243.db2.gz OQKFZAAVEWXZGV-SNVBAGLBSA-N 2 2 239.388 2.106 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nccs2)CC1(C)C ZINC000623364708 356826245 /nfs/dbraw/zinc/82/62/45/356826245.db2.gz OQKFZAAVEWXZGV-SNVBAGLBSA-N 2 2 239.388 2.106 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](COC)CC(C)C ZINC000359597217 356891802 /nfs/dbraw/zinc/89/18/02/356891802.db2.gz QYCOUIZMYWBMTD-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](COC)CC(C)C ZINC000359597217 356891805 /nfs/dbraw/zinc/89/18/05/356891805.db2.gz QYCOUIZMYWBMTD-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1[nH]cc[nH+]1 ZINC000353686102 538760701 /nfs/dbraw/zinc/76/07/01/538760701.db2.gz JTMHPSGCQPSLAW-SECBINFHSA-N 2 2 241.298 2.470 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cscn1 ZINC000582295470 357029026 /nfs/dbraw/zinc/02/90/26/357029026.db2.gz PWRUYTASSBLUSC-SNVBAGLBSA-N 2 2 239.388 2.455 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000130909663 325101253 /nfs/dbraw/zinc/10/12/53/325101253.db2.gz NWYSRYVLAYVXAQ-VXGBXAGGSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000130909663 325101256 /nfs/dbraw/zinc/10/12/56/325101256.db2.gz NWYSRYVLAYVXAQ-VXGBXAGGSA-N 2 2 212.381 2.493 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000623395458 357019624 /nfs/dbraw/zinc/01/96/24/357019624.db2.gz MKGQHGJNRXUCQT-CQDKDKBSSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000623395458 357019625 /nfs/dbraw/zinc/01/96/25/357019625.db2.gz MKGQHGJNRXUCQT-CQDKDKBSSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C[C@@H](C[NH2+]CC1(C)CC1)[NH+](C)C ZINC000389872016 357058233 /nfs/dbraw/zinc/05/82/33/357058233.db2.gz JVJYWGXKYQWZOY-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389932600 357069530 /nfs/dbraw/zinc/06/95/30/357069530.db2.gz LMWYJLMLIPRAMX-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389932600 357069534 /nfs/dbraw/zinc/06/95/34/357069534.db2.gz LMWYJLMLIPRAMX-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(SC)CCC1 ZINC000304279154 357160993 /nfs/dbraw/zinc/16/09/93/357160993.db2.gz LVXOUCCLWFQJSG-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1(SC)CCC1 ZINC000304279154 357160994 /nfs/dbraw/zinc/16/09/94/357160994.db2.gz LVXOUCCLWFQJSG-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000131373331 325143881 /nfs/dbraw/zinc/14/38/81/325143881.db2.gz CXKRVHXWTNKDBN-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000131373331 325143882 /nfs/dbraw/zinc/14/38/82/325143882.db2.gz CXKRVHXWTNKDBN-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C2CC2)C2CCC2)n1C ZINC000582618322 357354966 /nfs/dbraw/zinc/35/49/66/357354966.db2.gz XUVJBZFJSTVSHX-CQSZACIVSA-N 2 2 233.359 2.397 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C2CC2)C2CCC2)n1C ZINC000582618321 357354973 /nfs/dbraw/zinc/35/49/73/357354973.db2.gz XUVJBZFJSTVSHX-AWEZNQCLSA-N 2 2 233.359 2.397 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000157773755 538839312 /nfs/dbraw/zinc/83/93/12/538839312.db2.gz MBOABQCSJQXTML-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000157773755 538839317 /nfs/dbraw/zinc/83/93/17/538839317.db2.gz MBOABQCSJQXTML-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000157774057 538839373 /nfs/dbraw/zinc/83/93/73/538839373.db2.gz MBOABQCSJQXTML-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000157774057 538839380 /nfs/dbraw/zinc/83/93/80/538839380.db2.gz MBOABQCSJQXTML-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(O)c1 ZINC000582892634 357423853 /nfs/dbraw/zinc/42/38/53/357423853.db2.gz NMNZMLCSDXGJGF-CYBMUJFWSA-N 2 2 236.359 2.197 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(O)c1 ZINC000582892634 357423857 /nfs/dbraw/zinc/42/38/57/357423857.db2.gz NMNZMLCSDXGJGF-CYBMUJFWSA-N 2 2 236.359 2.197 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@H]1C[C@H]1C ZINC000321552590 357589707 /nfs/dbraw/zinc/58/97/07/357589707.db2.gz SCDGYVXMFZGYKH-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C1CC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000232537287 357670287 /nfs/dbraw/zinc/67/02/87/357670287.db2.gz IAFUNVJBTKTJDS-PNESKVBLSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C1CC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000232537287 357670290 /nfs/dbraw/zinc/67/02/90/357670290.db2.gz IAFUNVJBTKTJDS-PNESKVBLSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cscn2)n1C ZINC000583274854 357797060 /nfs/dbraw/zinc/79/70/60/357797060.db2.gz RLQCKJZYDUMJDX-MRVPVSSYSA-N 2 2 236.344 2.036 20 0 BEADLP CSC1(C[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000235076880 357846982 /nfs/dbraw/zinc/84/69/82/357846982.db2.gz GTASBGAKWNQOPQ-GFCCVEGCSA-N 2 2 240.416 2.052 20 0 BEADLP CSC1(C[N@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000235076880 357846985 /nfs/dbraw/zinc/84/69/85/357846985.db2.gz GTASBGAKWNQOPQ-GFCCVEGCSA-N 2 2 240.416 2.052 20 0 BEADLP CSC1(C[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000235076880 357846988 /nfs/dbraw/zinc/84/69/88/357846988.db2.gz GTASBGAKWNQOPQ-GFCCVEGCSA-N 2 2 240.416 2.052 20 0 BEADLP CSC1(C[NH+]2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000235076880 357846990 /nfs/dbraw/zinc/84/69/90/357846990.db2.gz GTASBGAKWNQOPQ-GFCCVEGCSA-N 2 2 240.416 2.052 20 0 BEADLP Cc1ccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c(C)[nH+]1 ZINC000399396422 357905704 /nfs/dbraw/zinc/90/57/04/357905704.db2.gz VBQMKRZQYZJTQV-MFKMUULPSA-N 2 2 249.358 2.256 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1C[C@H]1C ZINC000321504911 259475063 /nfs/dbraw/zinc/47/50/63/259475063.db2.gz HIEUOIKIUMXIRG-MCIONIFRSA-N 2 2 224.392 2.352 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000423303998 192692871 /nfs/dbraw/zinc/69/28/71/192692871.db2.gz XXRYGDDDUSLVTH-AAEUAGOBSA-N 2 2 238.379 2.071 20 0 BEADLP CC1(F)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000640071725 358162588 /nfs/dbraw/zinc/16/25/88/358162588.db2.gz RQQUDBCSFZSNJC-UHFFFAOYSA-N 2 2 225.311 2.097 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000584756528 358169101 /nfs/dbraw/zinc/16/91/01/358169101.db2.gz PNMDJSSBEPOXKD-FRRDWIJNSA-N 2 2 233.359 2.366 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)s1 ZINC000041029435 358241568 /nfs/dbraw/zinc/24/15/68/358241568.db2.gz UFEZDKNSKWRBIM-SNVBAGLBSA-N 2 2 224.373 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)s1 ZINC000041029435 358241573 /nfs/dbraw/zinc/24/15/73/358241573.db2.gz UFEZDKNSKWRBIM-SNVBAGLBSA-N 2 2 224.373 2.234 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000040621058 358243373 /nfs/dbraw/zinc/24/33/73/358243373.db2.gz OOUGANHJKTUZGO-LBPRGKRZSA-N 2 2 222.332 2.100 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000040621058 358243379 /nfs/dbraw/zinc/24/33/79/358243379.db2.gz OOUGANHJKTUZGO-LBPRGKRZSA-N 2 2 222.332 2.100 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000228128464 358369352 /nfs/dbraw/zinc/36/93/52/358369352.db2.gz PEYXXZNCRIEZQI-NWANDNLSSA-N 2 2 232.371 2.330 20 0 BEADLP Cc1cccc(NCCCCn2cc[nH+]c2)[nH+]1 ZINC000045108221 358401636 /nfs/dbraw/zinc/40/16/36/358401636.db2.gz KSUBOFRAKNGWQC-UHFFFAOYSA-N 2 2 230.315 2.479 20 0 BEADLP C([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000044684005 358550826 /nfs/dbraw/zinc/55/08/26/358550826.db2.gz BPVMMOKGAOQLGU-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000044684005 358550830 /nfs/dbraw/zinc/55/08/30/358550830.db2.gz BPVMMOKGAOQLGU-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683872 358551082 /nfs/dbraw/zinc/55/10/82/358551082.db2.gz CAWXUQKBLHATDM-CYBMUJFWSA-N 2 2 234.318 2.152 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683872 358551087 /nfs/dbraw/zinc/55/10/87/358551087.db2.gz CAWXUQKBLHATDM-CYBMUJFWSA-N 2 2 234.318 2.152 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044685258 358551877 /nfs/dbraw/zinc/55/18/77/358551877.db2.gz AKXNTNSTZZZTIM-OLZOCXBDSA-N 2 2 220.360 2.169 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044685258 358551881 /nfs/dbraw/zinc/55/18/81/358551881.db2.gz AKXNTNSTZZZTIM-OLZOCXBDSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000131924958 491134155 /nfs/dbraw/zinc/13/41/55/491134155.db2.gz COKWEAKPPZINHR-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP c1cc(O[C@@H]2CC[N@@H+](CC3CCC3)C2)cc[nH+]1 ZINC000131838468 358696787 /nfs/dbraw/zinc/69/67/87/358696787.db2.gz DBLNROYWHIKMJC-CQSZACIVSA-N 2 2 232.327 2.335 20 0 BEADLP c1cc(O[C@@H]2CC[N@H+](CC3CCC3)C2)cc[nH+]1 ZINC000131838468 358696791 /nfs/dbraw/zinc/69/67/91/358696791.db2.gz DBLNROYWHIKMJC-CQSZACIVSA-N 2 2 232.327 2.335 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000131926438 358701334 /nfs/dbraw/zinc/70/13/34/358701334.db2.gz XWBIGEKAHUASBL-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1ccc(OCCC[N@@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000050242588 358721232 /nfs/dbraw/zinc/72/12/32/358721232.db2.gz GQMFBPRUNLCFPX-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(OCCC[N@H+]2CC[C@H]([NH3+])C2)cc1C ZINC000050242588 358721235 /nfs/dbraw/zinc/72/12/35/358721235.db2.gz GQMFBPRUNLCFPX-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000053203621 358818177 /nfs/dbraw/zinc/81/81/77/358818177.db2.gz JXYHRZQSUZYSQQ-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000053203621 358818178 /nfs/dbraw/zinc/81/81/78/358818178.db2.gz JXYHRZQSUZYSQQ-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]CC[NH+]1CCCC1 ZINC000135872493 358852064 /nfs/dbraw/zinc/85/20/64/358852064.db2.gz UNHVREGGYHLACB-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP CCC[C@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070144053 359043612 /nfs/dbraw/zinc/04/36/12/359043612.db2.gz CZVHKFCRVAOYNF-NSHDSACASA-N 2 2 238.379 2.154 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1F ZINC000423315125 192700830 /nfs/dbraw/zinc/70/08/30/192700830.db2.gz ILDDEDINMMQHLA-TVQRCGJNSA-N 2 2 222.307 2.214 20 0 BEADLP CCC[N@H+](CCOCCC(C)C)[C@@H]1CC[NH2+]C1 ZINC000071332295 359077074 /nfs/dbraw/zinc/07/70/74/359077074.db2.gz BALWZOYQWGQTHV-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[N@@H+](CCOCCC(C)C)[C@@H]1CC[NH2+]C1 ZINC000071332295 359077077 /nfs/dbraw/zinc/07/70/77/359077077.db2.gz BALWZOYQWGQTHV-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419809 359078994 /nfs/dbraw/zinc/07/89/94/359078994.db2.gz BVHVSPQNJOSHFL-DZGCQCFKSA-N 2 2 247.386 2.244 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419809 359078997 /nfs/dbraw/zinc/07/89/97/359078997.db2.gz BVHVSPQNJOSHFL-DZGCQCFKSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419809 359079000 /nfs/dbraw/zinc/07/90/00/359079000.db2.gz BVHVSPQNJOSHFL-DZGCQCFKSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419809 359079005 /nfs/dbraw/zinc/07/90/05/359079005.db2.gz BVHVSPQNJOSHFL-DZGCQCFKSA-N 2 2 247.386 2.244 20 0 BEADLP CCCc1[nH+]ccn1CC[NH+]1CCCCC1 ZINC000070424452 359053626 /nfs/dbraw/zinc/05/36/26/359053626.db2.gz JTKWHGFBFOENMU-UHFFFAOYSA-N 2 2 221.348 2.322 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070562807 359059785 /nfs/dbraw/zinc/05/97/85/359059785.db2.gz QRSHUOIPNDIFSO-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000075189359 359139729 /nfs/dbraw/zinc/13/97/29/359139729.db2.gz FAFCPQBXXIOMQT-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C)c1 ZINC000423547544 192810344 /nfs/dbraw/zinc/81/03/44/192810344.db2.gz DLPIMSIHCQOLRP-LSDHHAIUSA-N 2 2 248.370 2.024 20 0 BEADLP CC1(C[NH2+]CC[NH+]2CCCCC2)CCC1 ZINC000308999892 491141450 /nfs/dbraw/zinc/14/14/50/491141450.db2.gz RFYAREOGAGWOQI-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC=C(Cl)Cl ZINC000403624783 359631110 /nfs/dbraw/zinc/63/11/10/359631110.db2.gz LSJZDOBZJSKMBT-SFYZADRCSA-N 2 2 223.147 2.117 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC=C(Cl)Cl ZINC000403624783 359631115 /nfs/dbraw/zinc/63/11/15/359631115.db2.gz LSJZDOBZJSKMBT-SFYZADRCSA-N 2 2 223.147 2.117 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000309007702 491142266 /nfs/dbraw/zinc/14/22/66/491142266.db2.gz QLUBRQJZFMKRCL-TUAOUCFPSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000309007702 491142267 /nfs/dbraw/zinc/14/22/67/491142267.db2.gz QLUBRQJZFMKRCL-TUAOUCFPSA-N 2 2 210.365 2.105 20 0 BEADLP C([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676280 359723007 /nfs/dbraw/zinc/72/30/07/359723007.db2.gz PCGYKBXUZDJKTJ-RFQIPJPRSA-N 2 2 234.387 2.249 20 0 BEADLP C([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676280 359723008 /nfs/dbraw/zinc/72/30/08/359723008.db2.gz PCGYKBXUZDJKTJ-RFQIPJPRSA-N 2 2 234.387 2.249 20 0 BEADLP COCc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000088555215 359965734 /nfs/dbraw/zinc/96/57/34/359965734.db2.gz QKCRXAPLYXLOEU-OAHLLOKOSA-N 2 2 248.370 2.146 20 0 BEADLP COCc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000088555215 359965739 /nfs/dbraw/zinc/96/57/39/359965739.db2.gz QKCRXAPLYXLOEU-OAHLLOKOSA-N 2 2 248.370 2.146 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCF)C1 ZINC000090004047 360053240 /nfs/dbraw/zinc/05/32/40/360053240.db2.gz KUILPHASIIXYBS-GFCCVEGCSA-N 2 2 239.338 2.034 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCF)C1 ZINC000090004047 360053246 /nfs/dbraw/zinc/05/32/46/360053246.db2.gz KUILPHASIIXYBS-GFCCVEGCSA-N 2 2 239.338 2.034 20 0 BEADLP Cc1nc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000090720922 360085586 /nfs/dbraw/zinc/08/55/86/360085586.db2.gz LMZOQWJLMQYUEL-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000090720922 360085587 /nfs/dbraw/zinc/08/55/87/360085587.db2.gz LMZOQWJLMQYUEL-KOLCDFICSA-N 2 2 239.388 2.024 20 0 BEADLP C[NH+](C)C1CC[NH+](Cc2cccs2)CC1 ZINC000091671880 360123515 /nfs/dbraw/zinc/12/35/15/360123515.db2.gz DUBJYRNJSOHORN-UHFFFAOYSA-N 2 2 224.373 2.274 20 0 BEADLP CC[C@H](C)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000093054236 360212436 /nfs/dbraw/zinc/21/24/36/360212436.db2.gz NLJCCVYFIYIETB-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NCC2([NH+](C)C)CCCC2)nc[nH+]1 ZINC000096474172 360348845 /nfs/dbraw/zinc/34/88/45/360348845.db2.gz NFDOUHDPMAYJCP-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000309652653 491153735 /nfs/dbraw/zinc/15/37/35/491153735.db2.gz ORFDFTHGQBVKAE-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000309652653 491153736 /nfs/dbraw/zinc/15/37/36/491153736.db2.gz ORFDFTHGQBVKAE-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)s1 ZINC000629407430 361055758 /nfs/dbraw/zinc/05/57/58/361055758.db2.gz ZXYOSJLSUMVJQI-JOYOIKCWSA-N 2 2 224.373 2.205 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396273 361044670 /nfs/dbraw/zinc/04/46/70/361044670.db2.gz JYBPPQHTEXXPIA-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[NH2+]1 ZINC000629396247 361044897 /nfs/dbraw/zinc/04/48/97/361044897.db2.gz JPRBFUOMCBMSCR-ZANVPECISA-N 2 2 240.297 2.195 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000629402867 361052932 /nfs/dbraw/zinc/05/29/32/361052932.db2.gz GHVVQPKFOGGBKA-OVPGCVMQSA-N 2 2 230.355 2.430 20 0 BEADLP CCC[C@H](C)CCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000629505896 361101154 /nfs/dbraw/zinc/10/11/54/361101154.db2.gz PTUIFECXOMKVHY-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)CCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000629505896 361101157 /nfs/dbraw/zinc/10/11/57/361101157.db2.gz PTUIFECXOMKVHY-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc2ncc(C[N@@H+](C)[C@@H](C)C[NH3+])cc2c1 ZINC000629510424 361108791 /nfs/dbraw/zinc/10/87/91/361108791.db2.gz UAUMOJHPQOVGMU-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2ncc(C[N@H+](C)[C@@H](C)C[NH3+])cc2c1 ZINC000629510424 361108794 /nfs/dbraw/zinc/10/87/94/361108794.db2.gz UAUMOJHPQOVGMU-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000629527241 361129768 /nfs/dbraw/zinc/12/97/68/361129768.db2.gz PFRSUJQLLPHKMM-FPMFFAJLSA-N 2 2 233.359 2.181 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000629527175 361129797 /nfs/dbraw/zinc/12/97/97/361129797.db2.gz MJXKFJYRMVOHNQ-FPMFFAJLSA-N 2 2 233.359 2.181 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000629523907 361122275 /nfs/dbraw/zinc/12/22/75/361122275.db2.gz LILFKAMMOJGNCM-TUKIKUTGSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]1CC([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@H](C)C1 ZINC000082830401 491155685 /nfs/dbraw/zinc/15/56/85/491155685.db2.gz NVVXFAOZYWBBFG-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@H](C)C1 ZINC000082830401 491155686 /nfs/dbraw/zinc/15/56/86/491155686.db2.gz NVVXFAOZYWBBFG-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cncc(F)c1 ZINC000629539324 361404614 /nfs/dbraw/zinc/40/46/14/361404614.db2.gz NZSUOSBPRXQARZ-NRUUGDAUSA-N 2 2 237.322 2.012 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629543133 361421730 /nfs/dbraw/zinc/42/17/30/361421730.db2.gz UIIMYZKAOHWGLA-AVGNSLFASA-N 2 2 233.359 2.181 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000629544796 361424488 /nfs/dbraw/zinc/42/44/88/361424488.db2.gz CWFZXJZUCYMQJB-OUJBWJOFSA-N 2 2 222.307 2.227 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000629545307 361425500 /nfs/dbraw/zinc/42/55/00/361425500.db2.gz CFKWWOGDOYINOB-GLQYFDAESA-N 2 2 230.355 2.322 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000629546606 361428740 /nfs/dbraw/zinc/42/87/40/361428740.db2.gz UIKCMNDHHQDXFH-LNSITVRQSA-N 2 2 245.370 2.273 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547224 361430539 /nfs/dbraw/zinc/43/05/39/361430539.db2.gz IACUUNILOJAUMK-MBNYWOFBSA-N 2 2 248.370 2.486 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547852 361431347 /nfs/dbraw/zinc/43/13/47/361431347.db2.gz KVQFBZSQXZJVML-MBNYWOFBSA-N 2 2 248.370 2.405 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000629604252 361493700 /nfs/dbraw/zinc/49/37/00/361493700.db2.gz IFFVHYLGWZTYGH-JOYOIKCWSA-N 2 2 240.297 2.464 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1C ZINC000629659962 361564659 /nfs/dbraw/zinc/56/46/59/361564659.db2.gz KUFQNIVEWMTNFX-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[NH2+]c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000629652651 361551170 /nfs/dbraw/zinc/55/11/70/361551170.db2.gz BBYPGJFHFFMPNJ-GXFFZTMASA-N 2 2 219.332 2.410 20 0 BEADLP C[NH2+]c1ccc(N[C@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000629653690 361553360 /nfs/dbraw/zinc/55/33/60/361553360.db2.gz MFBDOHGSDNOBHK-ZWNOBZJWSA-N 2 2 219.332 2.138 20 0 BEADLP CC[N@@H+](C/C=C/c1ccc(F)cc1F)CC[NH3+] ZINC000629650924 361554239 /nfs/dbraw/zinc/55/42/39/361554239.db2.gz AOTJKTMBAXBKSA-ONEGZZNKSA-N 2 2 240.297 2.259 20 0 BEADLP CC[N@H+](C/C=C/c1ccc(F)cc1F)CC[NH3+] ZINC000629650924 361554244 /nfs/dbraw/zinc/55/42/44/361554244.db2.gz AOTJKTMBAXBKSA-ONEGZZNKSA-N 2 2 240.297 2.259 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc2cc(OC)ccc2o1 ZINC000629651119 361556115 /nfs/dbraw/zinc/55/61/15/361556115.db2.gz JNGGNNHFPOMPTD-UHFFFAOYSA-N 2 2 248.326 2.222 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc2cc(OC)ccc2o1 ZINC000629651119 361556117 /nfs/dbraw/zinc/55/61/17/361556117.db2.gz JNGGNNHFPOMPTD-UHFFFAOYSA-N 2 2 248.326 2.222 20 0 BEADLP [NH3+]CCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000629673888 361596422 /nfs/dbraw/zinc/59/64/22/361596422.db2.gz MMRPZNAYYZNDJE-UHFFFAOYSA-N 2 2 240.297 2.282 20 0 BEADLP CCC1([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000448552627 201244208 /nfs/dbraw/zinc/24/42/08/201244208.db2.gz QGYOFAMWYQEAMY-WDEREUQCSA-N 2 2 208.349 2.144 20 0 BEADLP CCC1([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000448552627 201244213 /nfs/dbraw/zinc/24/42/13/201244213.db2.gz QGYOFAMWYQEAMY-WDEREUQCSA-N 2 2 208.349 2.144 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nccs1 ZINC000153314778 201230869 /nfs/dbraw/zinc/23/08/69/201230869.db2.gz PHZLDYWPIHUJLI-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nccs1 ZINC000153314778 201230872 /nfs/dbraw/zinc/23/08/72/201230872.db2.gz PHZLDYWPIHUJLI-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786393 201287220 /nfs/dbraw/zinc/28/72/20/201287220.db2.gz HXNHMPFYZBTMAT-DTZQCDIJSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786393 201287223 /nfs/dbraw/zinc/28/72/23/201287223.db2.gz HXNHMPFYZBTMAT-DTZQCDIJSA-N 2 2 244.382 2.472 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000435880540 201292506 /nfs/dbraw/zinc/29/25/06/201292506.db2.gz PMMXPISIFUKZLC-UKRRQHHQSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000435880540 201292509 /nfs/dbraw/zinc/29/25/09/201292509.db2.gz PMMXPISIFUKZLC-UKRRQHHQSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000435879230 201293080 /nfs/dbraw/zinc/29/30/80/201293080.db2.gz BOSXGLVZMRHGRK-UHFFFAOYSA-N 2 2 238.762 2.308 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000435879230 201293083 /nfs/dbraw/zinc/29/30/83/201293083.db2.gz BOSXGLVZMRHGRK-UHFFFAOYSA-N 2 2 238.762 2.308 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000435886258 201294535 /nfs/dbraw/zinc/29/45/35/201294535.db2.gz VFDMMUKEKMFROX-NSHDSACASA-N 2 2 239.388 2.280 20 0 BEADLP C[NH2+]CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000435886258 201294539 /nfs/dbraw/zinc/29/45/39/201294539.db2.gz VFDMMUKEKMFROX-NSHDSACASA-N 2 2 239.388 2.280 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000435884546 201294959 /nfs/dbraw/zinc/29/49/59/201294959.db2.gz UFVYQWKQLVMIHQ-UKRRQHHQSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000435884546 201294964 /nfs/dbraw/zinc/29/49/64/201294964.db2.gz UFVYQWKQLVMIHQ-UKRRQHHQSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000435884547 201295752 /nfs/dbraw/zinc/29/57/52/201295752.db2.gz UFVYQWKQLVMIHQ-ZFWWWQNUSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000435884547 201295755 /nfs/dbraw/zinc/29/57/55/201295755.db2.gz UFVYQWKQLVMIHQ-ZFWWWQNUSA-N 2 2 248.370 2.058 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000155824114 201354034 /nfs/dbraw/zinc/35/40/34/201354034.db2.gz IBSPFSFOZAUNOV-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000155824114 201354038 /nfs/dbraw/zinc/35/40/38/201354038.db2.gz IBSPFSFOZAUNOV-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)C(C)C ZINC000155866117 201355502 /nfs/dbraw/zinc/35/55/02/201355502.db2.gz IKBLDEFRKUHNBN-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)C(C)C ZINC000155866117 201355504 /nfs/dbraw/zinc/35/55/04/201355504.db2.gz IKBLDEFRKUHNBN-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)CC(C)C)C1CC1 ZINC000155845137 201355597 /nfs/dbraw/zinc/35/55/97/201355597.db2.gz PGZVMUGPPQNBQO-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)CC(C)C)C1CC1 ZINC000155845137 201355600 /nfs/dbraw/zinc/35/56/00/201355600.db2.gz PGZVMUGPPQNBQO-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP [NH3+]CC(F)(F)CNc1ccc2ccccc2[nH+]1 ZINC000162683305 181357543 /nfs/dbraw/zinc/35/75/43/181357543.db2.gz QHHWTXRBEKZSQI-UHFFFAOYSA-N 2 2 237.253 2.241 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(O)c1 ZINC000398949078 364201970 /nfs/dbraw/zinc/20/19/70/364201970.db2.gz AXLSTEHHTGUMSG-MDZLAQPJSA-N 2 2 234.343 2.183 20 0 BEADLP CC[C@H](Nc1cc(C)[nH+]c(C)n1)c1[nH]cc[nH+]1 ZINC000139835090 541345121 /nfs/dbraw/zinc/34/51/21/541345121.db2.gz LKMHGEJULJIJPE-JTQLQIEISA-N 2 2 231.303 2.380 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398959890 364280572 /nfs/dbraw/zinc/28/05/72/364280572.db2.gz LPQMHQOUFFHQEH-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252880301 364676124 /nfs/dbraw/zinc/67/61/24/364676124.db2.gz YGQYWGSFXQSUSW-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252880301 364676126 /nfs/dbraw/zinc/67/61/26/364676126.db2.gz YGQYWGSFXQSUSW-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000336897825 364852375 /nfs/dbraw/zinc/85/23/75/364852375.db2.gz PTCZYYGGMJQRKG-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000336897825 364852380 /nfs/dbraw/zinc/85/23/80/364852380.db2.gz PTCZYYGGMJQRKG-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cncs1 ZINC000573530073 364854771 /nfs/dbraw/zinc/85/47/71/364854771.db2.gz QPTRFJOIXBEKNR-IUCAKERBSA-N 2 2 248.355 2.074 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cncs1 ZINC000573530073 364854780 /nfs/dbraw/zinc/85/47/80/364854780.db2.gz QPTRFJOIXBEKNR-IUCAKERBSA-N 2 2 248.355 2.074 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000573931306 364948956 /nfs/dbraw/zinc/94/89/56/364948956.db2.gz QVZMXNDCCRMZBW-GFCCVEGCSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000573931306 364948964 /nfs/dbraw/zinc/94/89/64/364948964.db2.gz QVZMXNDCCRMZBW-GFCCVEGCSA-N 2 2 219.332 2.010 20 0 BEADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000575326298 365291239 /nfs/dbraw/zinc/29/12/39/365291239.db2.gz MVFQBISIAAEAIZ-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000575326298 365291248 /nfs/dbraw/zinc/29/12/48/365291248.db2.gz MVFQBISIAAEAIZ-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2cccs2)n1C ZINC000575762781 365357747 /nfs/dbraw/zinc/35/77/47/365357747.db2.gz GHEYHCTWFZTHJX-UHFFFAOYSA-N 2 2 235.356 2.122 20 0 BEADLP c1cn(CCC[NH+]2C[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000182829809 366948473 /nfs/dbraw/zinc/94/84/73/366948473.db2.gz USVUCRNSXKJTSR-KBPBESRZSA-N 2 2 233.359 2.395 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353634028 541484741 /nfs/dbraw/zinc/48/47/41/541484741.db2.gz YZUKCLZSTACWQJ-SDDRHHMPSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353634028 541484744 /nfs/dbraw/zinc/48/47/44/541484744.db2.gz YZUKCLZSTACWQJ-SDDRHHMPSA-N 2 2 233.359 2.291 20 0 BEADLP CCCCOCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000581322463 367349054 /nfs/dbraw/zinc/34/90/54/367349054.db2.gz ZMNOWNIGOCDURM-UHFFFAOYSA-N 2 2 239.363 2.025 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382413434 367517591 /nfs/dbraw/zinc/51/75/91/367517591.db2.gz VHMAMHPYLRAFEB-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382413434 367517597 /nfs/dbraw/zinc/51/75/97/367517597.db2.gz VHMAMHPYLRAFEB-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C ZINC000384723331 367720931 /nfs/dbraw/zinc/72/09/31/367720931.db2.gz IPVSDZCTFXTPKU-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C ZINC000384723331 367720940 /nfs/dbraw/zinc/72/09/40/367720940.db2.gz IPVSDZCTFXTPKU-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1Cl)C1CC([NH3+])C1 ZINC000385038282 367777072 /nfs/dbraw/zinc/77/70/72/367777072.db2.gz QVDCVUZAGXSMGH-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1Cl)C1CC([NH3+])C1 ZINC000385038282 367777080 /nfs/dbraw/zinc/77/70/80/367777080.db2.gz QVDCVUZAGXSMGH-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1F ZINC000385112506 367793617 /nfs/dbraw/zinc/79/36/17/367793617.db2.gz DBJDIWPCZISOPM-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1F ZINC000385112506 367793622 /nfs/dbraw/zinc/79/36/22/367793622.db2.gz DBJDIWPCZISOPM-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP C[C@H]1[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000581734853 367798047 /nfs/dbraw/zinc/79/80/47/367798047.db2.gz YVILPUWFWRHLLO-JHJVBQTASA-N 2 2 235.375 2.329 20 0 BEADLP C[C@H]1[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000581734853 367798053 /nfs/dbraw/zinc/79/80/53/367798053.db2.gz YVILPUWFWRHLLO-JHJVBQTASA-N 2 2 235.375 2.329 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385882005 367873663 /nfs/dbraw/zinc/87/36/63/367873663.db2.gz XGIGBNLSVWNIPC-CABCVRRESA-N 2 2 230.355 2.043 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385882005 367873667 /nfs/dbraw/zinc/87/36/67/367873667.db2.gz XGIGBNLSVWNIPC-CABCVRRESA-N 2 2 230.355 2.043 20 0 BEADLP COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1C ZINC000385305156 367817259 /nfs/dbraw/zinc/81/72/59/367817259.db2.gz KNURTAWLXCPTIE-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1C ZINC000385305156 367817263 /nfs/dbraw/zinc/81/72/63/367817263.db2.gz KNURTAWLXCPTIE-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP C[N@H+](Cc1cc(F)cc(F)c1)C1(C[NH3+])CCC1 ZINC000385353945 367822006 /nfs/dbraw/zinc/82/20/06/367822006.db2.gz UZZMHZPIAVGQKE-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP C[N@@H+](Cc1cc(F)cc(F)c1)C1(C[NH3+])CCC1 ZINC000385353945 367822008 /nfs/dbraw/zinc/82/20/08/367822008.db2.gz UZZMHZPIAVGQKE-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000385410762 367826708 /nfs/dbraw/zinc/82/67/08/367826708.db2.gz GIQXTUWHLIZBTL-UHFFFAOYSA-N 2 2 244.448 2.450 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CCC(CSC)CC1 ZINC000385410762 367826712 /nfs/dbraw/zinc/82/67/12/367826712.db2.gz GIQXTUWHLIZBTL-UHFFFAOYSA-N 2 2 244.448 2.450 20 0 BEADLP C[C@@H]1CCSCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000385455336 367829783 /nfs/dbraw/zinc/82/97/83/367829783.db2.gz CWSLQHGKWFWGOE-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H]1CCSCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000385455336 367829790 /nfs/dbraw/zinc/82/97/90/367829790.db2.gz CWSLQHGKWFWGOE-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399228042 367906209 /nfs/dbraw/zinc/90/62/09/367906209.db2.gz OCFBFPYAMKBFKA-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399228043 367906499 /nfs/dbraw/zinc/90/64/99/367906499.db2.gz OCFBFPYAMKBFKA-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399239758 367911213 /nfs/dbraw/zinc/91/12/13/367911213.db2.gz IJBKQAJJIDTNMH-WDEREUQCSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)n1 ZINC000386552809 367990609 /nfs/dbraw/zinc/99/06/09/367990609.db2.gz HHCSDRGHUWSMML-OCCSQVGLSA-N 2 2 233.359 2.010 20 0 BEADLP C[C@@H]([NH2+]CCOc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000386556834 367991184 /nfs/dbraw/zinc/99/11/84/367991184.db2.gz ICVGPAVCDVICOV-UKRRQHHQSA-N 2 2 248.370 2.186 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000386574392 367994388 /nfs/dbraw/zinc/99/43/88/367994388.db2.gz MSFRLZLXYHJVEH-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000386315748 367949589 /nfs/dbraw/zinc/94/95/89/367949589.db2.gz XNCBTRXHMPGQOB-RFHZTLPTSA-N 2 2 218.344 2.321 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000252971802 368175547 /nfs/dbraw/zinc/17/55/47/368175547.db2.gz YQZUZWSLMDFHHU-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000252971802 368175551 /nfs/dbraw/zinc/17/55/51/368175551.db2.gz YQZUZWSLMDFHHU-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCC(F)(F)F)n1C ZINC000566499033 326058994 /nfs/dbraw/zinc/05/89/94/326058994.db2.gz LGGYJSYXEDSKJU-UHFFFAOYSA-N 2 2 235.253 2.161 20 0 BEADLP C[N@H+](Cc1ccnc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000113701160 368902053 /nfs/dbraw/zinc/90/20/53/368902053.db2.gz VMYDFFNVTRNHPG-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000113701160 368902057 /nfs/dbraw/zinc/90/20/57/368902057.db2.gz VMYDFFNVTRNHPG-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP Cc1cc(C)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(C)[nH+]1 ZINC000631822117 368975323 /nfs/dbraw/zinc/97/53/23/368975323.db2.gz TWTXFOYYWDCIJJ-CHWSQXEVSA-N 2 2 247.386 2.189 20 0 BEADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCCC2 ZINC000088750902 368927425 /nfs/dbraw/zinc/92/74/25/368927425.db2.gz GOTUZWOPZDXDLX-QWHCGFSZSA-N 2 2 249.358 2.237 20 0 BEADLP C[C@@H]([NH3+])c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278219 369008091 /nfs/dbraw/zinc/00/80/91/369008091.db2.gz RLJIZDYKPROIAD-SNVBAGLBSA-N 2 2 231.299 2.019 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834733 369035974 /nfs/dbraw/zinc/03/59/74/369035974.db2.gz DXVUZLQXNUWDAI-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cnccc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834733 369035980 /nfs/dbraw/zinc/03/59/80/369035980.db2.gz DXVUZLQXNUWDAI-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cc(C)c(CN2C[C@H](C)[NH2+]C[C@H]2C)c(C)[nH+]1 ZINC000631827502 368994796 /nfs/dbraw/zinc/99/47/96/368994796.db2.gz PLTCGBYRSYWGAG-QWHCGFSZSA-N 2 2 247.386 2.189 20 0 BEADLP Fc1cccc(C[NH2+]CCC[NH+]2CCC2)c1F ZINC000567406426 326184402 /nfs/dbraw/zinc/18/44/02/326184402.db2.gz JHYGTTYIRBDQCX-UHFFFAOYSA-N 2 2 240.297 2.150 20 0 BEADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459302432 203250378 /nfs/dbraw/zinc/25/03/78/203250378.db2.gz DMRXXDLPHDJTPT-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459302432 203250381 /nfs/dbraw/zinc/25/03/81/203250381.db2.gz DMRXXDLPHDJTPT-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459395837 203273621 /nfs/dbraw/zinc/27/36/21/203273621.db2.gz ZOWOMUXGXNRFMQ-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459395837 203273622 /nfs/dbraw/zinc/27/36/22/203273622.db2.gz ZOWOMUXGXNRFMQ-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000459321908 203258314 /nfs/dbraw/zinc/25/83/14/203258314.db2.gz BGTPJHPXYLQBJJ-AWEZNQCLSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1C1CCC1 ZINC000459321908 203258316 /nfs/dbraw/zinc/25/83/16/203258316.db2.gz BGTPJHPXYLQBJJ-AWEZNQCLSA-N 2 2 233.359 2.227 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CCC[N@@H+]1C ZINC000459486659 203290345 /nfs/dbraw/zinc/29/03/45/203290345.db2.gz RPGQJXHIGSNONG-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CCC[N@H+]1C ZINC000459486659 203290347 /nfs/dbraw/zinc/29/03/47/203290347.db2.gz RPGQJXHIGSNONG-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)CC(C)(C)C ZINC000459501629 203292967 /nfs/dbraw/zinc/29/29/67/203292967.db2.gz NXYYUFUQVGGTFK-UHFFFAOYSA-N 2 2 223.364 2.331 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)CC(C)(C)C ZINC000459501629 203292969 /nfs/dbraw/zinc/29/29/69/203292969.db2.gz NXYYUFUQVGGTFK-UHFFFAOYSA-N 2 2 223.364 2.331 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672723 203332669 /nfs/dbraw/zinc/33/26/69/203332669.db2.gz YBRLLBIYXNNFPY-KBPBESRZSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+]1C1CC1 ZINC000621377732 370320366 /nfs/dbraw/zinc/32/03/66/370320366.db2.gz FFAOBRCRYNJTMS-VWYCJHECSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+]1C1CC1 ZINC000621377732 370320368 /nfs/dbraw/zinc/32/03/68/370320368.db2.gz FFAOBRCRYNJTMS-VWYCJHECSA-N 2 2 244.329 2.247 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000310016339 370288518 /nfs/dbraw/zinc/28/85/18/370288518.db2.gz CXIVNQIFPJGTPJ-ZHMISCPASA-N 2 2 230.355 2.384 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000310016339 370288523 /nfs/dbraw/zinc/28/85/23/370288523.db2.gz CXIVNQIFPJGTPJ-ZHMISCPASA-N 2 2 230.355 2.384 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734498 370490454 /nfs/dbraw/zinc/49/04/54/370490454.db2.gz OMRUREWSBBFERY-CKYFFXLPSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734498 370490459 /nfs/dbraw/zinc/49/04/59/370490459.db2.gz OMRUREWSBBFERY-CKYFFXLPSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734499 370490913 /nfs/dbraw/zinc/49/09/13/370490913.db2.gz OMRUREWSBBFERY-FOGDFJRCSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000621734499 370490919 /nfs/dbraw/zinc/49/09/19/370490919.db2.gz OMRUREWSBBFERY-FOGDFJRCSA-N 2 2 244.329 2.104 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cncc(Cl)c1 ZINC000621776179 370524140 /nfs/dbraw/zinc/52/41/40/370524140.db2.gz DQDZTLLBOWJAJO-NSHDSACASA-N 2 2 241.766 2.198 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cncc(Cl)c1 ZINC000621776178 370524753 /nfs/dbraw/zinc/52/47/53/370524753.db2.gz DQDZTLLBOWJAJO-LLVKDONJSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000623786385 371091715 /nfs/dbraw/zinc/09/17/15/371091715.db2.gz MZSQXECDNBZURN-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000623786385 371091718 /nfs/dbraw/zinc/09/17/18/371091718.db2.gz MZSQXECDNBZURN-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC23CC3)n1C ZINC000623825611 371112809 /nfs/dbraw/zinc/11/28/09/371112809.db2.gz GYUXKEVXSAMGKY-GFCCVEGCSA-N 2 2 233.359 2.398 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC000624101209 371306074 /nfs/dbraw/zinc/30/60/74/371306074.db2.gz QODVNPOHHQVYKJ-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H]1C ZINC000624101209 371306077 /nfs/dbraw/zinc/30/60/77/371306077.db2.gz QODVNPOHHQVYKJ-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101536 371307880 /nfs/dbraw/zinc/30/78/80/371307880.db2.gz MTULLIHLWIUHRG-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101536 371307884 /nfs/dbraw/zinc/30/78/84/371307884.db2.gz MTULLIHLWIUHRG-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1C[C@@H]1C ZINC000624101365 371308020 /nfs/dbraw/zinc/30/80/20/371308020.db2.gz BBVDICZXIZGCIY-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1C[C@@H]1C ZINC000624101365 371308022 /nfs/dbraw/zinc/30/80/22/371308022.db2.gz BBVDICZXIZGCIY-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101535 371308336 /nfs/dbraw/zinc/30/83/36/371308336.db2.gz MTULLIHLWIUHRG-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101535 371308339 /nfs/dbraw/zinc/30/83/39/371308339.db2.gz MTULLIHLWIUHRG-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000624272041 371448891 /nfs/dbraw/zinc/44/88/91/371448891.db2.gz UCHWTRYTWONBSI-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000624272041 371448894 /nfs/dbraw/zinc/44/88/94/371448894.db2.gz UCHWTRYTWONBSI-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000573081944 326428533 /nfs/dbraw/zinc/42/85/33/326428533.db2.gz KXGZAHGCEQAOHI-NSHDSACASA-N 2 2 236.359 2.392 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000631207531 372236799 /nfs/dbraw/zinc/23/67/99/372236799.db2.gz VITMQSXSZPBYQE-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000631207531 372236803 /nfs/dbraw/zinc/23/68/03/372236803.db2.gz VITMQSXSZPBYQE-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CCC1([NH+](C)C)CCN(c2cccc[nH+]2)CC1 ZINC000631476163 372384911 /nfs/dbraw/zinc/38/49/11/372384911.db2.gz POPWNTYNYLLYMW-UHFFFAOYSA-N 2 2 233.359 2.392 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755098 372558714 /nfs/dbraw/zinc/55/87/14/372558714.db2.gz YGOFLRYMHBYRAS-IANFPDNMSA-N 2 2 248.292 2.010 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755098 372558721 /nfs/dbraw/zinc/55/87/21/372558721.db2.gz YGOFLRYMHBYRAS-IANFPDNMSA-N 2 2 248.292 2.010 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1C ZINC000631755021 372559018 /nfs/dbraw/zinc/55/90/18/372559018.db2.gz WNCYZXNHPJNQRY-ZYUZMQFOSA-N 2 2 236.281 2.010 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000631755021 372559024 /nfs/dbraw/zinc/55/90/24/372559024.db2.gz WNCYZXNHPJNQRY-ZYUZMQFOSA-N 2 2 236.281 2.010 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755100 372559151 /nfs/dbraw/zinc/55/91/51/372559151.db2.gz YGOFLRYMHBYRAS-WKJUBOCMSA-N 2 2 248.292 2.010 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755100 372559156 /nfs/dbraw/zinc/55/91/56/372559156.db2.gz YGOFLRYMHBYRAS-WKJUBOCMSA-N 2 2 248.292 2.010 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834279 372618231 /nfs/dbraw/zinc/61/82/31/372618231.db2.gz UBYWLOYZHIJNRQ-CHWSQXEVSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834279 372618236 /nfs/dbraw/zinc/61/82/36/372618236.db2.gz UBYWLOYZHIJNRQ-CHWSQXEVSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834446 372619025 /nfs/dbraw/zinc/61/90/25/372619025.db2.gz XJTUKVPYGJJBHC-JSGCOSHPSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834446 372619030 /nfs/dbraw/zinc/61/90/30/372619030.db2.gz XJTUKVPYGJJBHC-JSGCOSHPSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834280 372619252 /nfs/dbraw/zinc/61/92/52/372619252.db2.gz UBYWLOYZHIJNRQ-OLZOCXBDSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834280 372619254 /nfs/dbraw/zinc/61/92/54/372619254.db2.gz UBYWLOYZHIJNRQ-OLZOCXBDSA-N 2 2 233.359 2.346 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631860801 372660273 /nfs/dbraw/zinc/66/02/73/372660273.db2.gz PRNVVGIQJHRSNN-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631860801 372660276 /nfs/dbraw/zinc/66/02/76/372660276.db2.gz PRNVVGIQJHRSNN-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861380 372661280 /nfs/dbraw/zinc/66/12/80/372661280.db2.gz ACFAGMZOXQCAAK-FZMZJTMJSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861380 372661284 /nfs/dbraw/zinc/66/12/84/372661284.db2.gz ACFAGMZOXQCAAK-FZMZJTMJSA-N 2 2 247.386 2.435 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861555 372662239 /nfs/dbraw/zinc/66/22/39/372662239.db2.gz DHCBVCLXUYVERH-JQWIXIFHSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861555 372662243 /nfs/dbraw/zinc/66/22/43/372662243.db2.gz DHCBVCLXUYVERH-JQWIXIFHSA-N 2 2 236.384 2.330 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCC(F)(F)F ZINC000631862524 372665271 /nfs/dbraw/zinc/66/52/71/372665271.db2.gz QKNXVKJGJGDOMA-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000631862524 372665273 /nfs/dbraw/zinc/66/52/73/372665273.db2.gz QKNXVKJGJGDOMA-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1F ZINC000631866971 372667836 /nfs/dbraw/zinc/66/78/36/372667836.db2.gz FKCXMDLVGHMWCX-HIFRSBDPSA-N 2 2 248.345 2.366 20 0 BEADLP Fc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869785 372673862 /nfs/dbraw/zinc/67/38/62/372673862.db2.gz VEUHMNJOKKJUSA-OCCSQVGLSA-N 2 2 234.318 2.057 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000040671631 373588950 /nfs/dbraw/zinc/58/89/50/373588950.db2.gz NYZRABURUXVGPR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000040671631 373588955 /nfs/dbraw/zinc/58/89/55/373588955.db2.gz NYZRABURUXVGPR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC1(C)CC([NH2+]Cc2cocn2)CC(C)(C)[NH2+]1 ZINC000192280904 205948788 /nfs/dbraw/zinc/94/87/88/205948788.db2.gz BSJYGYBSEVUKME-UHFFFAOYSA-N 2 2 237.347 2.073 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424379205 206040556 /nfs/dbraw/zinc/04/05/56/206040556.db2.gz VADVROXXTJSSGI-FBIMIBRVSA-N 2 2 239.388 2.372 20 0 BEADLP [NH3+][C@H]1CC[N@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430915643 206062073 /nfs/dbraw/zinc/06/20/73/206062073.db2.gz DQLFTTNQFOLJIT-ZDUSSCGKSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000430915643 206062077 /nfs/dbraw/zinc/06/20/77/206062077.db2.gz DQLFTTNQFOLJIT-ZDUSSCGKSA-N 2 2 238.762 2.306 20 0 BEADLP CC(C)(C)C1CC([NH2+]CC[NH+]2CCCC2)C1 ZINC000459462571 206128968 /nfs/dbraw/zinc/12/89/68/206128968.db2.gz LIRXINDRAVEODI-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657680 206134825 /nfs/dbraw/zinc/13/48/25/206134825.db2.gz OJDPGFYBGXPEIJ-DZGBDDFRSA-N 2 2 248.345 2.221 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657680 206134830 /nfs/dbraw/zinc/13/48/30/206134830.db2.gz OJDPGFYBGXPEIJ-DZGBDDFRSA-N 2 2 248.345 2.221 20 0 BEADLP CCC[N@H+](CC)CCNc1cc[nH+]c(C2CC2)n1 ZINC000175162574 169123986 /nfs/dbraw/zinc/12/39/86/169123986.db2.gz AAMIKNWLVYLRSJ-UHFFFAOYSA-N 2 2 248.374 2.498 20 0 BEADLP CCC[N@@H+](CC)CCNc1cc[nH+]c(C2CC2)n1 ZINC000175162574 169123988 /nfs/dbraw/zinc/12/39/88/169123988.db2.gz AAMIKNWLVYLRSJ-UHFFFAOYSA-N 2 2 248.374 2.498 20 0 BEADLP CCC[N@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000071314656 169174441 /nfs/dbraw/zinc/17/44/41/169174441.db2.gz PHCZNTDWBGTLOR-AWEZNQCLSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@@H+](Cc1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000071314656 169174444 /nfs/dbraw/zinc/17/44/44/169174444.db2.gz PHCZNTDWBGTLOR-AWEZNQCLSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1cncs1 ZINC000290634684 169156784 /nfs/dbraw/zinc/15/67/84/169156784.db2.gz YEEDXHUIWYYWIN-UHFFFAOYSA-N 2 2 241.404 2.307 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cncs1 ZINC000290634684 169156785 /nfs/dbraw/zinc/15/67/85/169156785.db2.gz YEEDXHUIWYYWIN-UHFFFAOYSA-N 2 2 241.404 2.307 20 0 BEADLP CCC[NH+]1CCC([N@H+](C)Cc2ccncc2)CC1 ZINC000177051537 169187006 /nfs/dbraw/zinc/18/70/06/169187006.db2.gz DGAFSADPVWKPFT-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccncc2)CC1 ZINC000177051537 169187008 /nfs/dbraw/zinc/18/70/08/169187008.db2.gz DGAFSADPVWKPFT-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000042210402 169190069 /nfs/dbraw/zinc/19/00/69/169190069.db2.gz ABYXCEYLSDHMEW-UHFFFAOYSA-N 2 2 219.332 2.368 20 0 BEADLP c1c[nH]c([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000271791805 183327017 /nfs/dbraw/zinc/32/70/17/183327017.db2.gz JDWLWLIINNHWDF-CQSZACIVSA-N 2 2 244.342 2.438 20 0 BEADLP c1c[nH]c([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000271791805 183327019 /nfs/dbraw/zinc/32/70/19/183327019.db2.gz JDWLWLIINNHWDF-CQSZACIVSA-N 2 2 244.342 2.438 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCC3CC3)C2)[nH]1 ZINC000336665914 183328116 /nfs/dbraw/zinc/32/81/16/183328116.db2.gz JPTOFUGWAFXSQG-LBPRGKRZSA-N 2 2 219.332 2.389 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CCC3CC3)C2)[nH]1 ZINC000336665914 183328118 /nfs/dbraw/zinc/32/81/18/183328118.db2.gz JPTOFUGWAFXSQG-LBPRGKRZSA-N 2 2 219.332 2.389 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340398453 169199735 /nfs/dbraw/zinc/19/97/35/169199735.db2.gz WZKVWRTXSVSZEI-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340398453 169199736 /nfs/dbraw/zinc/19/97/36/169199736.db2.gz WZKVWRTXSVSZEI-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCC[N@H+](Cc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000070901910 169179035 /nfs/dbraw/zinc/17/90/35/169179035.db2.gz QXESXBQMCQSBGQ-LBPRGKRZSA-N 2 2 224.373 2.322 20 0 BEADLP CCC[N@@H+](Cc1ccsc1)[C@H]1CC[NH2+]C1 ZINC000070901910 169179037 /nfs/dbraw/zinc/17/90/37/169179037.db2.gz QXESXBQMCQSBGQ-LBPRGKRZSA-N 2 2 224.373 2.322 20 0 BEADLP c1cn2c(cccc2C[NH+]2CCCCC2)[nH+]1 ZINC000180800521 183340786 /nfs/dbraw/zinc/34/07/86/183340786.db2.gz JZZYLWVITNDPBT-UHFFFAOYSA-N 2 2 215.300 2.320 20 0 BEADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000076453395 169207661 /nfs/dbraw/zinc/20/76/61/169207661.db2.gz CJBAIICRBIDOFE-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000076453395 169207663 /nfs/dbraw/zinc/20/76/63/169207663.db2.gz CJBAIICRBIDOFE-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccn1 ZINC000370124582 183348645 /nfs/dbraw/zinc/34/86/45/183348645.db2.gz WKAJIBZWKXGLQY-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCSC2)[nH+]1 ZINC000279690982 183350448 /nfs/dbraw/zinc/35/04/48/183350448.db2.gz ATTLXCGZRABWKP-NSHDSACASA-N 2 2 247.367 2.177 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc2ncccc2c1 ZINC000228718309 169258999 /nfs/dbraw/zinc/25/89/99/169258999.db2.gz XDAPFLISSXAFRK-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1sccc1C ZINC000053388068 169259214 /nfs/dbraw/zinc/25/92/14/169259214.db2.gz NOJMDDBHEVSSFM-UHFFFAOYSA-N 2 2 212.362 2.146 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(F)c(C)c1 ZINC000161340053 169259298 /nfs/dbraw/zinc/25/92/98/169259298.db2.gz BAXQLJZVCQKOGV-UHFFFAOYSA-N 2 2 224.323 2.223 20 0 BEADLP CCC[NH2+]CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000054267415 169260065 /nfs/dbraw/zinc/26/00/65/169260065.db2.gz DAWPTCRZOKPWOI-UHFFFAOYSA-N 2 2 236.363 2.320 20 0 BEADLP c1c[nH+]c(C2CC[NH+](Cc3ccccn3)CC2)[nH]1 ZINC000265461958 183396715 /nfs/dbraw/zinc/39/67/15/183396715.db2.gz FZDFVBMEDJRCQX-UHFFFAOYSA-N 2 2 242.326 2.184 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000049712249 169283259 /nfs/dbraw/zinc/28/32/59/169283259.db2.gz JKOXTBRIWSNACO-DZGCQCFKSA-N 2 2 247.386 2.292 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000049712249 169283260 /nfs/dbraw/zinc/28/32/60/169283260.db2.gz JKOXTBRIWSNACO-DZGCQCFKSA-N 2 2 247.386 2.292 20 0 BEADLP CCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284350213 169291516 /nfs/dbraw/zinc/29/15/16/169291516.db2.gz RZZFEXNGNLBALQ-KBPBESRZSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284350213 169291518 /nfs/dbraw/zinc/29/15/18/169291518.db2.gz RZZFEXNGNLBALQ-KBPBESRZSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309089834 169369669 /nfs/dbraw/zinc/36/96/69/169369669.db2.gz BTWSAFZSLOMOQU-CYBMUJFWSA-N 2 2 210.365 2.417 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309089834 169369671 /nfs/dbraw/zinc/36/96/71/169369671.db2.gz BTWSAFZSLOMOQU-CYBMUJFWSA-N 2 2 210.365 2.417 20 0 BEADLP CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000308921673 169371776 /nfs/dbraw/zinc/37/17/76/169371776.db2.gz HGBARCXBIWRZSA-NXEZZACHSA-N 2 2 207.321 2.045 20 0 BEADLP CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000308921673 169371778 /nfs/dbraw/zinc/37/17/78/169371778.db2.gz HGBARCXBIWRZSA-NXEZZACHSA-N 2 2 207.321 2.045 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000224398102 134346514 /nfs/dbraw/zinc/34/65/14/134346514.db2.gz FJETZXGPNLHNIF-ZDUSSCGKSA-N 2 2 242.432 2.205 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000227376513 134379049 /nfs/dbraw/zinc/37/90/49/134379049.db2.gz RYJCDDDPLWMCRU-CMPLNLGQSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000227376513 134379050 /nfs/dbraw/zinc/37/90/50/134379050.db2.gz RYJCDDDPLWMCRU-CMPLNLGQSA-N 2 2 222.332 2.160 20 0 BEADLP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309286003 383833800 /nfs/dbraw/zinc/83/38/00/383833800.db2.gz IQGBAKIQIIPAFP-NRUUGDAUSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@H](c1ccccc1F)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309286003 383833806 /nfs/dbraw/zinc/83/38/06/383833806.db2.gz IQGBAKIQIIPAFP-NRUUGDAUSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(C)(F)F ZINC000449351818 383926826 /nfs/dbraw/zinc/92/68/26/383926826.db2.gz RUGGFXOFZGLNRJ-ZYHUDNBSSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(C)(F)F ZINC000449351818 383926833 /nfs/dbraw/zinc/92/68/33/383926833.db2.gz RUGGFXOFZGLNRJ-ZYHUDNBSSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000070652736 383952591 /nfs/dbraw/zinc/95/25/91/383952591.db2.gz RRBBVQLKKYUXCM-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000070652736 383952594 /nfs/dbraw/zinc/95/25/94/383952594.db2.gz RRBBVQLKKYUXCM-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP Cc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1F ZINC000113293029 383974736 /nfs/dbraw/zinc/97/47/36/383974736.db2.gz FPVAXMWDSSWKMK-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC000335846793 384003883 /nfs/dbraw/zinc/00/38/83/384003883.db2.gz BYWKOAZLGMNXHZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC000335846793 384003885 /nfs/dbraw/zinc/00/38/85/384003885.db2.gz BYWKOAZLGMNXHZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC000335846793 384003888 /nfs/dbraw/zinc/00/38/88/384003888.db2.gz BYWKOAZLGMNXHZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC000335846793 384003892 /nfs/dbraw/zinc/00/38/92/384003892.db2.gz BYWKOAZLGMNXHZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cccc(N2CCC(n3cc[nH+]c3)CC2)[nH+]1 ZINC000114185171 384026255 /nfs/dbraw/zinc/02/62/55/384026255.db2.gz RIPDBBNWHRYHAD-UHFFFAOYSA-N 2 2 242.326 2.428 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)n1 ZINC000643545242 384011167 /nfs/dbraw/zinc/01/11/67/384011167.db2.gz QYCZXIAZSGXQMV-UONOGXRCSA-N 2 2 247.386 2.491 20 0 BEADLP C[NH+](C)CCOc1ccc([NH2+]CC2CC2)cc1 ZINC000037774351 384013044 /nfs/dbraw/zinc/01/30/44/384013044.db2.gz XBHQARJZVMLKTA-UHFFFAOYSA-N 2 2 234.343 2.449 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000041063983 384175193 /nfs/dbraw/zinc/17/51/93/384175193.db2.gz OGPZAABLBUQJIZ-NSHDSACASA-N 2 2 233.290 2.373 20 0 BEADLP C[NH+](C)CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000041045536 384175269 /nfs/dbraw/zinc/17/52/69/384175269.db2.gz MEGWICBPJWEYOD-CQSZACIVSA-N 2 2 218.344 2.289 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103899 384177595 /nfs/dbraw/zinc/17/75/95/384177595.db2.gz VZULSBFHEXVGIU-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103899 384177600 /nfs/dbraw/zinc/17/76/00/384177600.db2.gz VZULSBFHEXVGIU-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccsc1 ZINC000050344524 384193475 /nfs/dbraw/zinc/19/34/75/384193475.db2.gz CKCJHXGQTIESFB-JTQLQIEISA-N 2 2 221.329 2.295 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000082541421 384240640 /nfs/dbraw/zinc/24/06/40/384240640.db2.gz AKHVDGAZHGRBQT-UHFFFAOYSA-N 2 2 241.766 2.119 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000082541421 384240646 /nfs/dbraw/zinc/24/06/46/384240646.db2.gz AKHVDGAZHGRBQT-UHFFFAOYSA-N 2 2 241.766 2.119 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000313279375 384228224 /nfs/dbraw/zinc/22/82/24/384228224.db2.gz CRHYRMAHBIYJAO-BZPMIXESSA-N 2 2 235.375 2.377 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313278953 384228436 /nfs/dbraw/zinc/22/84/36/384228436.db2.gz GWEWCLNQSNXNHE-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)CC ZINC000133561643 384255032 /nfs/dbraw/zinc/25/50/32/384255032.db2.gz TVAROGUNXHVKKH-LBPRGKRZSA-N 2 2 200.370 2.354 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)CC ZINC000133561643 384255034 /nfs/dbraw/zinc/25/50/34/384255034.db2.gz TVAROGUNXHVKKH-LBPRGKRZSA-N 2 2 200.370 2.354 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2)n1C ZINC000569592273 384316362 /nfs/dbraw/zinc/31/63/62/384316362.db2.gz YAVJPSUKVHZKCA-UHFFFAOYSA-N 2 2 215.300 2.018 20 0 BEADLP Cc1cc[nH+]c(N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000043561648 384286337 /nfs/dbraw/zinc/28/63/37/384286337.db2.gz MBVIDNHOSDPEMA-NSHDSACASA-N 2 2 216.288 2.087 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000120363014 384348890 /nfs/dbraw/zinc/34/88/90/384348890.db2.gz TUUXHFCMFIUIIQ-KBPBESRZSA-N 2 2 233.359 2.465 20 0 BEADLP CC[C@@H](C)C[N@H+](CC)CCn1cc[nH+]c1 ZINC000120490334 384355091 /nfs/dbraw/zinc/35/50/91/384355091.db2.gz USFRGWYMRVRHGS-GFCCVEGCSA-N 2 2 209.337 2.251 20 0 BEADLP CC[C@@H](C)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC000120490334 384355095 /nfs/dbraw/zinc/35/50/95/384355095.db2.gz USFRGWYMRVRHGS-GFCCVEGCSA-N 2 2 209.337 2.251 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335599776 384370592 /nfs/dbraw/zinc/37/05/92/384370592.db2.gz SAYNHVGNNNTWOY-HSOILSAZSA-N 2 2 219.332 2.045 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335599776 384370596 /nfs/dbraw/zinc/37/05/96/384370596.db2.gz SAYNHVGNNNTWOY-HSOILSAZSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000228778443 384325039 /nfs/dbraw/zinc/32/50/39/384325039.db2.gz XTLPCIQOTSRLLX-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000228778443 384325043 /nfs/dbraw/zinc/32/50/43/384325043.db2.gz XTLPCIQOTSRLLX-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000120117834 384328943 /nfs/dbraw/zinc/32/89/43/384328943.db2.gz RLQLGYFEFTZGHD-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000120117834 384328947 /nfs/dbraw/zinc/32/89/47/384328947.db2.gz RLQLGYFEFTZGHD-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)s1 ZINC000335607849 384385831 /nfs/dbraw/zinc/38/58/31/384385831.db2.gz TXWWJRCUIPSLRA-BXKDBHETSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)s1 ZINC000335607849 384385836 /nfs/dbraw/zinc/38/58/36/384385836.db2.gz TXWWJRCUIPSLRA-BXKDBHETSA-N 2 2 224.373 2.096 20 0 BEADLP c1csc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000335607540 384387495 /nfs/dbraw/zinc/38/74/95/384387495.db2.gz ZPKIJJAYFWTERC-SECBINFHSA-N 2 2 233.340 2.118 20 0 BEADLP c1csc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000335607540 384387508 /nfs/dbraw/zinc/38/75/08/384387508.db2.gz ZPKIJJAYFWTERC-SECBINFHSA-N 2 2 233.340 2.118 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000144681255 384439705 /nfs/dbraw/zinc/43/97/05/384439705.db2.gz OLXSIFMDQTZGKU-PXYYCUNGSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000144681255 384439710 /nfs/dbraw/zinc/43/97/10/384439710.db2.gz OLXSIFMDQTZGKU-PXYYCUNGSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccsc2Cl)CCC1 ZINC000312761675 384477194 /nfs/dbraw/zinc/47/71/94/384477194.db2.gz IMCOSMKHGAYDCT-UHFFFAOYSA-N 2 2 230.764 2.373 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000083391069 384489074 /nfs/dbraw/zinc/48/90/74/384489074.db2.gz GAYSFLBUQHXWRM-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000556833868 384515263 /nfs/dbraw/zinc/51/52/63/384515263.db2.gz NWBACSFLSNBBEM-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000556833868 384515269 /nfs/dbraw/zinc/51/52/69/384515269.db2.gz NWBACSFLSNBBEM-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000160982390 384516189 /nfs/dbraw/zinc/51/61/89/384516189.db2.gz RGULHKCAVOWEQG-CYBMUJFWSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000160982390 384516193 /nfs/dbraw/zinc/51/61/93/384516193.db2.gz RGULHKCAVOWEQG-CYBMUJFWSA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000334758415 384525480 /nfs/dbraw/zinc/52/54/80/384525480.db2.gz VQRYYDKTYQVHFZ-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000334758415 384525485 /nfs/dbraw/zinc/52/54/85/384525485.db2.gz VQRYYDKTYQVHFZ-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[NH+](C)C ZINC000449557426 384526112 /nfs/dbraw/zinc/52/61/12/384526112.db2.gz RCRBOPIFACWVOL-WCFLWFBJSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000150082989 384560247 /nfs/dbraw/zinc/56/02/47/384560247.db2.gz QITVFMDUZHPKDR-OCCSQVGLSA-N 2 2 218.344 2.084 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000150082989 384560255 /nfs/dbraw/zinc/56/02/55/384560255.db2.gz QITVFMDUZHPKDR-OCCSQVGLSA-N 2 2 218.344 2.084 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643066416 384580108 /nfs/dbraw/zinc/58/01/08/384580108.db2.gz OBRDFLKUWHOUQM-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643066416 384580113 /nfs/dbraw/zinc/58/01/13/384580113.db2.gz OBRDFLKUWHOUQM-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000248021943 384582217 /nfs/dbraw/zinc/58/22/17/384582217.db2.gz JCBLCHTZHBNZCG-HBNTYKKESA-N 2 2 208.305 2.200 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068874 384583363 /nfs/dbraw/zinc/58/33/63/384583363.db2.gz MNBNGNJJMFDXNZ-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068874 384583370 /nfs/dbraw/zinc/58/33/70/384583370.db2.gz MNBNGNJJMFDXNZ-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068797 384583804 /nfs/dbraw/zinc/58/38/04/384583804.db2.gz LJQBSDMLUVZGNJ-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068797 384583808 /nfs/dbraw/zinc/58/38/08/384583808.db2.gz LJQBSDMLUVZGNJ-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000306018131 384566913 /nfs/dbraw/zinc/56/69/13/384566913.db2.gz PSXVULWFDLVPJX-TUAOUCFPSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000306018131 384566918 /nfs/dbraw/zinc/56/69/18/384566918.db2.gz PSXVULWFDLVPJX-TUAOUCFPSA-N 2 2 244.329 2.248 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000309791599 384611546 /nfs/dbraw/zinc/61/15/46/384611546.db2.gz PHMYDHHNZCMJDM-OCCSQVGLSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000309791599 384611549 /nfs/dbraw/zinc/61/15/49/384611549.db2.gz PHMYDHHNZCMJDM-OCCSQVGLSA-N 2 2 218.344 2.035 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000647531458 384620087 /nfs/dbraw/zinc/62/00/87/384620087.db2.gz XZGLDBFMBYHULM-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccco1 ZINC000020506267 384620503 /nfs/dbraw/zinc/62/05/03/384620503.db2.gz OASODNNFHDGXOI-NSHDSACASA-N 2 2 219.288 2.217 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@H]1C ZINC000309767027 384595417 /nfs/dbraw/zinc/59/54/17/384595417.db2.gz JPXRFDCZTUFIIF-DIACKHNESA-N 2 2 222.376 2.246 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@H]1C ZINC000309767027 384595425 /nfs/dbraw/zinc/59/54/25/384595425.db2.gz JPXRFDCZTUFIIF-DIACKHNESA-N 2 2 222.376 2.246 20 0 BEADLP C[C@H](C[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041063679 384602230 /nfs/dbraw/zinc/60/22/30/384602230.db2.gz PEUYKCDFKNNVFK-CYBMUJFWSA-N 2 2 229.327 2.276 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449456686 384666206 /nfs/dbraw/zinc/66/62/06/384666206.db2.gz MXYDTKMHEQYNNJ-FTGSRHIXSA-N 2 2 208.349 2.025 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449456686 384666217 /nfs/dbraw/zinc/66/62/17/384666217.db2.gz MXYDTKMHEQYNNJ-FTGSRHIXSA-N 2 2 208.349 2.025 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000309608827 384637749 /nfs/dbraw/zinc/63/77/49/384637749.db2.gz ZINXVFXBWIYHPC-QWRGUYRKSA-N 2 2 221.348 2.222 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1C ZINC000647532752 384640464 /nfs/dbraw/zinc/64/04/64/384640464.db2.gz CNBAVTFEDKEGML-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1C ZINC000647532752 384640469 /nfs/dbraw/zinc/64/04/69/384640469.db2.gz CNBAVTFEDKEGML-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000647532754 384640484 /nfs/dbraw/zinc/64/04/84/384640484.db2.gz CNBAVTFEDKEGML-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1C ZINC000647532754 384640487 /nfs/dbraw/zinc/64/04/87/384640487.db2.gz CNBAVTFEDKEGML-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)[C@H]1C ZINC000309824034 384642653 /nfs/dbraw/zinc/64/26/53/384642653.db2.gz WYYZSNFUFPDQBM-BLUODKFWSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)[C@H]1C ZINC000309824034 384642661 /nfs/dbraw/zinc/64/26/61/384642661.db2.gz WYYZSNFUFPDQBM-BLUODKFWSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC(C)(C)C ZINC000041051379 384654621 /nfs/dbraw/zinc/65/46/21/384654621.db2.gz NQJOVYXXLFEORA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356829747 384655674 /nfs/dbraw/zinc/65/56/74/384655674.db2.gz ALRUMBZUQLGPPT-UKRRQHHQSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(C)s1 ZINC000086727552 384680027 /nfs/dbraw/zinc/68/00/27/384680027.db2.gz TZHDUSHYGYLFGO-GXSJLCMTSA-N 2 2 224.373 2.377 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086728497 384680041 /nfs/dbraw/zinc/68/00/41/384680041.db2.gz NRLBIJIXTOBBFX-YPMHNXCESA-N 2 2 204.317 2.008 20 0 BEADLP CC1(C)CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000086845909 384707312 /nfs/dbraw/zinc/70/73/12/384707312.db2.gz BYKNFTNOJUFRGG-LLVKDONJSA-N 2 2 207.321 2.468 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+]CC[NH+](C)C ZINC000042222270 384777273 /nfs/dbraw/zinc/77/72/73/384777273.db2.gz LLYUZKOGHYBJKX-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@H]1C[NH2+]C[C@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000647546474 384731081 /nfs/dbraw/zinc/73/10/81/384731081.db2.gz MBPJNPLOJIBPGI-BXUZGUMPSA-N 2 2 245.370 2.455 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000647546477 384731211 /nfs/dbraw/zinc/73/12/11/384731211.db2.gz MBPJNPLOJIBPGI-SMDDNHRTSA-N 2 2 245.370 2.455 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)ccc1F ZINC000647549489 384742264 /nfs/dbraw/zinc/74/22/64/384742264.db2.gz CVJMZXSVOGISJA-ZWNOBZJWSA-N 2 2 236.334 2.222 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000568274883 384742677 /nfs/dbraw/zinc/74/26/77/384742677.db2.gz INXDISANLULUEP-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000568274883 384742682 /nfs/dbraw/zinc/74/26/82/384742682.db2.gz INXDISANLULUEP-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000185632796 384748905 /nfs/dbraw/zinc/74/89/05/384748905.db2.gz OYUPROJFPIFWDV-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000185632796 384748909 /nfs/dbraw/zinc/74/89/09/384748909.db2.gz OYUPROJFPIFWDV-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000066189882 384760564 /nfs/dbraw/zinc/76/05/64/384760564.db2.gz YEVOJLTVGSZDNJ-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP C[C@@H](NCC1([NH3+])CCCCCC1)c1[nH]cc[nH+]1 ZINC000423205463 384762002 /nfs/dbraw/zinc/76/20/02/384762002.db2.gz VSOSUFUQVGTNNQ-LLVKDONJSA-N 2 2 236.363 2.112 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ncc[nH]1 ZINC000423205463 384762008 /nfs/dbraw/zinc/76/20/08/384762008.db2.gz VSOSUFUQVGTNNQ-LLVKDONJSA-N 2 2 236.363 2.112 20 0 BEADLP COc1cc(C)[nH+]c(Cn2c[nH+]c(C)c2C)c1 ZINC000163203117 384764751 /nfs/dbraw/zinc/76/47/51/384764751.db2.gz CZUMUNWDCUESIL-UHFFFAOYSA-N 2 2 231.299 2.260 20 0 BEADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000647550733 384765247 /nfs/dbraw/zinc/76/52/47/384765247.db2.gz FDOQEMJYDGGXJX-PGUXBMHVSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccc(N[C@H](C)[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000335051601 384828784 /nfs/dbraw/zinc/82/87/84/384828784.db2.gz SQVFRGJUMYTJGJ-YPMHNXCESA-N 2 2 219.332 2.333 20 0 BEADLP CCOc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000084041886 384831340 /nfs/dbraw/zinc/83/13/40/384831340.db2.gz QSLNFELVTAHHRS-CQSZACIVSA-N 2 2 234.343 2.181 20 0 BEADLP CCOc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000084041886 384831345 /nfs/dbraw/zinc/83/13/45/384831345.db2.gz QSLNFELVTAHHRS-CQSZACIVSA-N 2 2 234.343 2.181 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423355029 384831732 /nfs/dbraw/zinc/83/17/32/384831732.db2.gz DTNXMVDRJPCTAG-VCTAVGKDSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423355028 384831989 /nfs/dbraw/zinc/83/19/89/384831989.db2.gz DTNXMVDRJPCTAG-ONERCXAPSA-N 2 2 248.345 2.401 20 0 BEADLP [NH3+][C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000423250934 384782584 /nfs/dbraw/zinc/78/25/84/384782584.db2.gz RFSCMSMDLMMBOD-ZNMIVQPWSA-N 2 2 230.355 2.465 20 0 BEADLP Cc1ccc(N[C@@H](C)[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000335051598 384782480 /nfs/dbraw/zinc/78/24/80/384782480.db2.gz SQVFRGJUMYTJGJ-WCQYABFASA-N 2 2 219.332 2.333 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622003902 384785657 /nfs/dbraw/zinc/78/56/57/384785657.db2.gz HGMBMOHAZDEEIO-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622003902 384785662 /nfs/dbraw/zinc/78/56/62/384785662.db2.gz HGMBMOHAZDEEIO-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000310023772 384790657 /nfs/dbraw/zinc/79/06/57/384790657.db2.gz OLHJBMQJQDOVPN-IKWCTNDRSA-N 2 2 222.376 2.390 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000310023772 384790662 /nfs/dbraw/zinc/79/06/62/384790662.db2.gz OLHJBMQJQDOVPN-IKWCTNDRSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1 ZINC000042437370 384793153 /nfs/dbraw/zinc/79/31/53/384793153.db2.gz UXCSPUMBEMMLRG-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042437370 384793157 /nfs/dbraw/zinc/79/31/57/384793157.db2.gz UXCSPUMBEMMLRG-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP Cn1ccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000126426343 384800048 /nfs/dbraw/zinc/80/00/48/384800048.db2.gz SZTRSJYROCSZRX-UHFFFAOYSA-N 2 2 244.342 2.012 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)CC(C)(C)C ZINC000395193121 384856305 /nfs/dbraw/zinc/85/63/05/384856305.db2.gz XILWUZICEVIMJP-AGIUHOORSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccoc1 ZINC000087289714 384932561 /nfs/dbraw/zinc/93/25/61/384932561.db2.gz BKRXWBMWDVAFFA-JTQLQIEISA-N 2 2 208.305 2.024 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccoc1 ZINC000087290050 384941131 /nfs/dbraw/zinc/94/11/31/384941131.db2.gz ATDUNSNORLRWEX-WDEREUQCSA-N 2 2 210.321 2.270 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccn(C)c1 ZINC000127954235 384968088 /nfs/dbraw/zinc/96/80/88/384968088.db2.gz QLOXNSHSZWHGMG-UHFFFAOYSA-N 2 2 229.327 2.061 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000043327588 385000773 /nfs/dbraw/zinc/00/07/73/385000773.db2.gz ZFRAJAXWPLGORY-MNOVXSKESA-N 2 2 224.373 2.459 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C)(C)CC1 ZINC000130182379 385019122 /nfs/dbraw/zinc/01/91/22/385019122.db2.gz XZBZYSXCLINWDV-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP Clc1c[nH+]ccc1NCCCn1cc[nH+]c1 ZINC000086833028 385051913 /nfs/dbraw/zinc/05/19/13/385051913.db2.gz WDXREVDZMDZYEB-UHFFFAOYSA-N 2 2 236.706 2.434 20 0 BEADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000177606504 385061503 /nfs/dbraw/zinc/06/15/03/385061503.db2.gz PINAYPGAIPLGSE-LLVKDONJSA-N 2 2 219.332 2.272 20 0 BEADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CC1(C)C ZINC000397617010 385065341 /nfs/dbraw/zinc/06/53/41/385065341.db2.gz CTOIFJDLKFIHDY-CHWSQXEVSA-N 2 2 235.375 2.377 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000340477805 385069990 /nfs/dbraw/zinc/06/99/90/385069990.db2.gz IKCDAFYKCOINQS-NWDGAFQWSA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000340477805 385069994 /nfs/dbraw/zinc/06/99/94/385069994.db2.gz IKCDAFYKCOINQS-NWDGAFQWSA-N 2 2 222.376 2.390 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000226927627 385074948 /nfs/dbraw/zinc/07/49/48/385074948.db2.gz GSEGQJJEOURWBQ-ONGXEEELSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000226927627 385074952 /nfs/dbraw/zinc/07/49/52/385074952.db2.gz GSEGQJJEOURWBQ-ONGXEEELSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1cc[nH+]c(NCC2([NH+](C)C)CCC2)c1 ZINC000165255525 385091121 /nfs/dbraw/zinc/09/11/21/385091121.db2.gz GDNHBWWLYJJORZ-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP c1cc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc2cn1 ZINC000647481667 385187474 /nfs/dbraw/zinc/18/74/74/385187474.db2.gz OSAIRKDZUZDXOU-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1cc2cc(C[N@H+]3CCC[NH2+]CC3)ccc2cn1 ZINC000647481667 385187484 /nfs/dbraw/zinc/18/74/84/385187484.db2.gz OSAIRKDZUZDXOU-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252710112 385190782 /nfs/dbraw/zinc/19/07/82/385190782.db2.gz FSEAPMJZVPWKTA-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252710112 385190787 /nfs/dbraw/zinc/19/07/87/385190787.db2.gz FSEAPMJZVPWKTA-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP Clc1c[nH+]ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176924926 385157756 /nfs/dbraw/zinc/15/77/56/385157756.db2.gz DGISOTYSXMFLDO-SNVBAGLBSA-N 2 2 237.734 2.019 20 0 BEADLP Clc1c[nH+]ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176924926 385157765 /nfs/dbraw/zinc/15/77/65/385157765.db2.gz DGISOTYSXMFLDO-SNVBAGLBSA-N 2 2 237.734 2.019 20 0 BEADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CC1 ZINC000177034986 385168926 /nfs/dbraw/zinc/16/89/26/385168926.db2.gz IEPYDCGXIYJKOK-UHFFFAOYSA-N 2 2 242.326 2.109 20 0 BEADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)CC1CC1 ZINC000177034986 385168930 /nfs/dbraw/zinc/16/89/30/385168930.db2.gz IEPYDCGXIYJKOK-UHFFFAOYSA-N 2 2 242.326 2.109 20 0 BEADLP CC[NH+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177235733 385205189 /nfs/dbraw/zinc/20/51/89/385205189.db2.gz RANDGYPJAWKELD-UHFFFAOYSA-N 2 2 230.315 2.109 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(OC)cc1 ZINC000021959070 385303045 /nfs/dbraw/zinc/30/30/45/385303045.db2.gz ORCRDGCHWMVHHM-CQSZACIVSA-N 2 2 236.359 2.298 20 0 BEADLP CC[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130642956 385270235 /nfs/dbraw/zinc/27/02/35/385270235.db2.gz OQMLESJQWNHBMZ-LLVKDONJSA-N 2 2 217.316 2.265 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)C1CC1 ZINC000308906310 385281085 /nfs/dbraw/zinc/28/10/85/385281085.db2.gz CPILBGKZQPPKCM-DRZSPHRISA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)C1CC1 ZINC000308906310 385281088 /nfs/dbraw/zinc/28/10/88/385281088.db2.gz CPILBGKZQPPKCM-DRZSPHRISA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)C1CC1 ZINC000308906318 385281265 /nfs/dbraw/zinc/28/12/65/385281265.db2.gz CPILBGKZQPPKCM-WXHSDQCUSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)C1CC1 ZINC000308906318 385281272 /nfs/dbraw/zinc/28/12/72/385281272.db2.gz CPILBGKZQPPKCM-WXHSDQCUSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000308914701 385282310 /nfs/dbraw/zinc/28/23/10/385282310.db2.gz AYTJQBNWTZVLHQ-GMXVVIOVSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000308914701 385282316 /nfs/dbraw/zinc/28/23/16/385282316.db2.gz AYTJQBNWTZVLHQ-GMXVVIOVSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)c1ccco1)C[NH+](C)C ZINC000308922694 385294972 /nfs/dbraw/zinc/29/49/72/385294972.db2.gz PHVSYKAOTHYMDL-MNOVXSKESA-N 2 2 210.321 2.128 20 0 BEADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000192283056 385350778 /nfs/dbraw/zinc/35/07/78/385350778.db2.gz MRRGCJJOMXWIBZ-UHFFFAOYSA-N 2 2 245.326 2.026 20 0 BEADLP C[N@H+](Cc1ccc2cnccc2c1)[C@H]1CC[NH2+]C1 ZINC000647495114 385362129 /nfs/dbraw/zinc/36/21/29/385362129.db2.gz XIZGWSLGIPKMID-HNNXBMFYSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1ccc2cnccc2c1)[C@H]1CC[NH2+]C1 ZINC000647495114 385362130 /nfs/dbraw/zinc/36/21/30/385362130.db2.gz XIZGWSLGIPKMID-HNNXBMFYSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000309025608 385366360 /nfs/dbraw/zinc/36/63/60/385366360.db2.gz ZRWCUNNTKVWRNG-QWRGUYRKSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[NH+]1CCC(C)CC1)OC ZINC000319986299 385385400 /nfs/dbraw/zinc/38/54/00/385385400.db2.gz XWEYJCBMZUPIEB-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000309063953 385391084 /nfs/dbraw/zinc/39/10/84/385391084.db2.gz YHMUYFOTFLZKCL-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](CC[NH2+]C1CC(C)(C)C1)C1CC1 ZINC000309055654 385387242 /nfs/dbraw/zinc/38/72/42/385387242.db2.gz UGOITNYURRYCNV-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CC(C)(C)C1)C1CC1 ZINC000309055654 385387243 /nfs/dbraw/zinc/38/72/43/385387243.db2.gz UGOITNYURRYCNV-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CC(CC)C1 ZINC000309098095 385406860 /nfs/dbraw/zinc/40/68/60/385406860.db2.gz FOTINOMPRGXZNO-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CC(CC)C1 ZINC000309098095 385406867 /nfs/dbraw/zinc/40/68/67/385406867.db2.gz FOTINOMPRGXZNO-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000309099458 385409509 /nfs/dbraw/zinc/40/95/09/385409509.db2.gz FCBOOAULYXSNTF-VOAKCMCISA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000309099458 385409511 /nfs/dbraw/zinc/40/95/11/385409511.db2.gz FCBOOAULYXSNTF-VOAKCMCISA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(O)c1 ZINC000193858981 385414292 /nfs/dbraw/zinc/41/42/92/385414292.db2.gz SHSDDRVKLKPUNQ-WCQYABFASA-N 2 2 234.343 2.137 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(O)c1 ZINC000193858981 385414296 /nfs/dbraw/zinc/41/42/96/385414296.db2.gz SHSDDRVKLKPUNQ-WCQYABFASA-N 2 2 234.343 2.137 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309090862 385414325 /nfs/dbraw/zinc/41/43/25/385414325.db2.gz BBXCYDLGJCPQEB-WCQYABFASA-N 2 2 208.349 2.025 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309090862 385414327 /nfs/dbraw/zinc/41/43/27/385414327.db2.gz BBXCYDLGJCPQEB-WCQYABFASA-N 2 2 208.349 2.025 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(CCn3cc[nH+]c3)c2C[C@H]1C ZINC000295070670 385418067 /nfs/dbraw/zinc/41/80/67/385418067.db2.gz CLNDHTDOYMPJSP-VXGBXAGGSA-N 2 2 244.342 2.151 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC(C)C)CCC2 ZINC000378353970 385439614 /nfs/dbraw/zinc/43/96/14/385439614.db2.gz HPILKMQFKYSIDC-GFCCVEGCSA-N 2 2 221.348 2.315 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000106868300 385536373 /nfs/dbraw/zinc/53/63/73/385536373.db2.gz XIRDNUQQZHUFSI-CHWSQXEVSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000106868300 385536375 /nfs/dbraw/zinc/53/63/75/385536375.db2.gz XIRDNUQQZHUFSI-CHWSQXEVSA-N 2 2 234.343 2.304 20 0 BEADLP CC[NH+](CC)[C@@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000157780489 385522396 /nfs/dbraw/zinc/52/23/96/385522396.db2.gz JSLJCRVSINDZSM-CYBMUJFWSA-N 2 2 233.359 2.311 20 0 BEADLP C[NH+](C)[C@]1(C[NH2+]CCC(C)(C)C)CCSC1 ZINC000309407205 385572607 /nfs/dbraw/zinc/57/26/07/385572607.db2.gz BCSXSRJCZNRMRI-ZDUSSCGKSA-N 2 2 244.448 2.450 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000229317716 385597230 /nfs/dbraw/zinc/59/72/30/385597230.db2.gz BRUKTBUCYFGOLY-RYUDHWBXSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000229317716 385597244 /nfs/dbraw/zinc/59/72/44/385597244.db2.gz BRUKTBUCYFGOLY-RYUDHWBXSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@]2(C)CCO[C@H]2C)c[nH+]1 ZINC000354630738 385603604 /nfs/dbraw/zinc/60/36/04/385603604.db2.gz DCMODQSFXWCAIW-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP CCSCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000309428948 385581939 /nfs/dbraw/zinc/58/19/39/385581939.db2.gz FTGXJUYBRFTUKK-OLZOCXBDSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000309428948 385581943 /nfs/dbraw/zinc/58/19/43/385581943.db2.gz FTGXJUYBRFTUKK-OLZOCXBDSA-N 2 2 244.448 2.450 20 0 BEADLP Cc1ccc([C@@H](C)[N@H+](C)CC[NH3+])c(C)c1 ZINC000054416741 385582583 /nfs/dbraw/zinc/58/25/83/385582583.db2.gz YKAAMLGHHBJXJB-GFCCVEGCSA-N 2 2 206.333 2.255 20 0 BEADLP Cc1ccc([C@@H](C)[N@@H+](C)CC[NH3+])c(C)c1 ZINC000054416741 385582586 /nfs/dbraw/zinc/58/25/86/385582586.db2.gz YKAAMLGHHBJXJB-GFCCVEGCSA-N 2 2 206.333 2.255 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336676865 385606036 /nfs/dbraw/zinc/60/60/36/385606036.db2.gz BYNQFMDTDOJSJC-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(N[C@@H](C)CCCC[NH3+])c[nH+]1 ZINC000336681430 385634260 /nfs/dbraw/zinc/63/42/60/385634260.db2.gz JCRMBNINEHGTCM-NSHDSACASA-N 2 2 207.321 2.319 20 0 BEADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414850045 385634602 /nfs/dbraw/zinc/63/46/02/385634602.db2.gz RYPHHVCCGDHUAC-YOUVMVQBSA-N 2 2 234.318 2.181 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414850014 385635127 /nfs/dbraw/zinc/63/51/27/385635127.db2.gz RWKYTZKXJUCMGY-UHFFFAOYSA-N 2 2 248.370 2.175 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000365131950 385610842 /nfs/dbraw/zinc/61/08/42/385610842.db2.gz KHMLEIWEXPZZSE-AEGPPILISA-N 2 2 232.371 2.330 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336682065 385638970 /nfs/dbraw/zinc/63/89/70/385638970.db2.gz DFCXYMRZAQLSEX-RYUDHWBXSA-N 2 2 221.348 2.224 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000309512555 385647387 /nfs/dbraw/zinc/64/73/87/385647387.db2.gz XVBNNOSOIOASQD-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000337408045 385651228 /nfs/dbraw/zinc/65/12/28/385651228.db2.gz UHLUYASYWHEPET-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@H](C)C[C@H](O)C2)c[nH+]1 ZINC000414520332 385659129 /nfs/dbraw/zinc/65/91/29/385659129.db2.gz CSNFOIOOODDMRQ-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@H](C)C[C@H](O)C2)c[nH+]1 ZINC000414520332 385659136 /nfs/dbraw/zinc/65/91/36/385659136.db2.gz CSNFOIOOODDMRQ-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Clc1sccc1C[NH2+]C1CC[NH2+]CC1 ZINC000307153584 385661927 /nfs/dbraw/zinc/66/19/27/385661927.db2.gz AZGKRWZSUJOLGX-UHFFFAOYSA-N 2 2 230.764 2.243 20 0 BEADLP CCCC[N@H+](CC)CCCn1cc[nH+]c1 ZINC000182616789 385688670 /nfs/dbraw/zinc/68/86/70/385688670.db2.gz OTNXERFQTFYLJG-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP CCCC[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000182616789 385688673 /nfs/dbraw/zinc/68/86/73/385688673.db2.gz OTNXERFQTFYLJG-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1nccs1)C1CCCCC1 ZINC000414853395 385689518 /nfs/dbraw/zinc/68/95/18/385689518.db2.gz SHJINQKDWUPDSX-LLVKDONJSA-N 2 2 239.388 2.140 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586724 385711112 /nfs/dbraw/zinc/71/11/12/385711112.db2.gz SAHUBZPQTBCVLS-SUNKGSAMSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586724 385711116 /nfs/dbraw/zinc/71/11/16/385711116.db2.gz SAHUBZPQTBCVLS-SUNKGSAMSA-N 2 2 222.376 2.247 20 0 BEADLP CCc1cnc(C[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000414852219 385669644 /nfs/dbraw/zinc/66/96/44/385669644.db2.gz QNDIHMXNNWDQJZ-SNVBAGLBSA-N 2 2 241.404 2.169 20 0 BEADLP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCSC1 ZINC000186738570 385785971 /nfs/dbraw/zinc/78/59/71/385785971.db2.gz OOBNIEBEBMSNMN-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)CS1 ZINC000336654921 385738488 /nfs/dbraw/zinc/73/84/88/385738488.db2.gz GZLLXKWLWQNOCJ-CHWSQXEVSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000309609484 385739632 /nfs/dbraw/zinc/73/96/32/385739632.db2.gz MFKCZPZHWJWZOS-JTQLQIEISA-N 2 2 219.332 2.108 20 0 BEADLP CC[NH2+]Cc1cccc(NCc2c[nH+]cn2C)c1 ZINC000414860585 385748305 /nfs/dbraw/zinc/74/83/05/385748305.db2.gz DFDSLLZSWMDFHB-UHFFFAOYSA-N 2 2 244.342 2.142 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)C1 ZINC000414552876 385749774 /nfs/dbraw/zinc/74/97/74/385749774.db2.gz QRLCEAHXEITRBJ-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)nc2)C1 ZINC000414552876 385749778 /nfs/dbraw/zinc/74/97/78/385749778.db2.gz QRLCEAHXEITRBJ-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414863194 385752020 /nfs/dbraw/zinc/75/20/20/385752020.db2.gz IAODBGZDRKLSOR-SMGNDMQFSA-N 2 2 216.328 2.041 20 0 BEADLP CC(C)CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336656506 385783149 /nfs/dbraw/zinc/78/31/49/385783149.db2.gz HYZMSHNSYOUSNI-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336656506 385783152 /nfs/dbraw/zinc/78/31/52/385783152.db2.gz HYZMSHNSYOUSNI-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000309591623 385719739 /nfs/dbraw/zinc/71/97/39/385719739.db2.gz UYPUHXZGTIRBAP-FZMZJTMJSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000309591623 385719746 /nfs/dbraw/zinc/71/97/46/385719746.db2.gz UYPUHXZGTIRBAP-FZMZJTMJSA-N 2 2 222.376 2.391 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336735853 385719823 /nfs/dbraw/zinc/71/98/23/385719823.db2.gz OTEMESMYFSOMOB-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336735853 385719831 /nfs/dbraw/zinc/71/98/31/385719831.db2.gz OTEMESMYFSOMOB-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]1CCC[C@@H](C[NH2+]CC[NH2+]CCOC)C1 ZINC000414867187 385798000 /nfs/dbraw/zinc/79/80/00/385798000.db2.gz BYJJGNBKYOHECQ-UONOGXRCSA-N 2 2 242.407 2.028 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414871459 385857249 /nfs/dbraw/zinc/85/72/49/385857249.db2.gz UUPXKNJXRFUMGS-CYBMUJFWSA-N 2 2 238.762 2.490 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000414868647 385826197 /nfs/dbraw/zinc/82/61/97/385826197.db2.gz DWEYUPOYRCGOBJ-OLZOCXBDSA-N 2 2 242.407 2.027 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000340185454 385828608 /nfs/dbraw/zinc/82/86/08/385828608.db2.gz PNBSGAFRAXILLE-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000340185454 385828612 /nfs/dbraw/zinc/82/86/12/385828612.db2.gz PNBSGAFRAXILLE-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]C/C=C/c1ccccc1OC ZINC000414954764 385828828 /nfs/dbraw/zinc/82/88/28/385828828.db2.gz KTWBQMARMDPBSA-BUUCAEBMSA-N 2 2 248.370 2.296 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000340185121 385828941 /nfs/dbraw/zinc/82/89/41/385828941.db2.gz PNBSGAFRAXILLE-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000340185121 385828944 /nfs/dbraw/zinc/82/89/44/385828944.db2.gz PNBSGAFRAXILLE-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP COCC[NH2+]CC[NH2+]C1CCC(C(C)C)CC1 ZINC000414869149 385833622 /nfs/dbraw/zinc/83/36/22/385833622.db2.gz FPTMNRHXOLAIJX-UHFFFAOYSA-N 2 2 242.407 2.027 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000271619744 385841693 /nfs/dbraw/zinc/84/16/93/385841693.db2.gz DPEHUVKGIXDVQC-UHFFFAOYSA-N 2 2 235.253 2.157 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000271619744 385841695 /nfs/dbraw/zinc/84/16/95/385841695.db2.gz DPEHUVKGIXDVQC-UHFFFAOYSA-N 2 2 235.253 2.157 20 0 BEADLP c1cn(CCCNc2cc[nH+]c(C3CC3)n2)c[nH+]1 ZINC000271639947 385842842 /nfs/dbraw/zinc/84/28/42/385842842.db2.gz PICAZEVHQDPZJU-UHFFFAOYSA-N 2 2 243.314 2.053 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000414957817 385855774 /nfs/dbraw/zinc/85/57/74/385855774.db2.gz OUDSQWTWNMBSMY-SNVBAGLBSA-N 2 2 241.404 2.354 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000021959414 385889113 /nfs/dbraw/zinc/88/91/13/385889113.db2.gz DZQGIWMKAQURHF-GFCCVEGCSA-N 2 2 206.333 2.207 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000336726256 385890145 /nfs/dbraw/zinc/89/01/45/385890145.db2.gz GEGDJVUGUMCPTC-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000336726256 385890147 /nfs/dbraw/zinc/89/01/47/385890147.db2.gz GEGDJVUGUMCPTC-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335038265 385929091 /nfs/dbraw/zinc/92/90/91/385929091.db2.gz IGPMQBGROOFIKY-JSGCOSHPSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397768492 385907251 /nfs/dbraw/zinc/90/72/51/385907251.db2.gz KRLHVFNICZVDQQ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)o1 ZINC000272544116 385910148 /nfs/dbraw/zinc/91/01/48/385910148.db2.gz CGCXPEIMNBVDPR-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)o1 ZINC000272544116 385910150 /nfs/dbraw/zinc/91/01/50/385910150.db2.gz CGCXPEIMNBVDPR-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272544116 385910153 /nfs/dbraw/zinc/91/01/53/385910153.db2.gz CGCXPEIMNBVDPR-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272544116 385910154 /nfs/dbraw/zinc/91/01/54/385910154.db2.gz CGCXPEIMNBVDPR-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000335033662 385920228 /nfs/dbraw/zinc/92/02/28/385920228.db2.gz HEEIHJZJISCCLQ-WDEREUQCSA-N 2 2 239.388 2.201 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000335033517 385921244 /nfs/dbraw/zinc/92/12/44/385921244.db2.gz QRLCXNFUCXTXMZ-UKRRQHHQSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[NH+](C)C ZINC000336768024 385921205 /nfs/dbraw/zinc/92/12/05/385921205.db2.gz UFFSEEHFGALNJA-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000335033515 385921757 /nfs/dbraw/zinc/92/17/57/385921757.db2.gz QRLCXNFUCXTXMZ-DZGCQCFKSA-N 2 2 230.355 2.324 20 0 BEADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335034474 385923692 /nfs/dbraw/zinc/92/36/92/385923692.db2.gz VLTSDLDHLJRDCY-OCCSQVGLSA-N 2 2 246.354 2.242 20 0 BEADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335034473 385924138 /nfs/dbraw/zinc/92/41/38/385924138.db2.gz VLTSDLDHLJRDCY-JSGCOSHPSA-N 2 2 246.354 2.242 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000335040074 385930229 /nfs/dbraw/zinc/93/02/29/385930229.db2.gz ODDIOTCTECODBM-RYUDHWBXSA-N 2 2 224.735 2.309 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@H+](C)C1CC1 ZINC000336719816 385860017 /nfs/dbraw/zinc/86/00/17/385860017.db2.gz ZFZLIZDDWZXIMH-UZWSLXQKSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+](C)C1CC1 ZINC000336719816 385860020 /nfs/dbraw/zinc/86/00/20/385860020.db2.gz ZFZLIZDDWZXIMH-UZWSLXQKSA-N 2 2 210.365 2.103 20 0 BEADLP CSCCCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336741382 385862915 /nfs/dbraw/zinc/86/29/15/385862915.db2.gz VOPBPMDFDMAPNW-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP CSCCCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336741382 385862920 /nfs/dbraw/zinc/86/29/20/385862920.db2.gz VOPBPMDFDMAPNW-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414958800 385863534 /nfs/dbraw/zinc/86/35/34/385863534.db2.gz SMCMXQYAVPDWHU-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000271960697 385864106 /nfs/dbraw/zinc/86/41/06/385864106.db2.gz GRMNQLXWSDDHLV-RYUDHWBXSA-N 2 2 238.350 2.469 20 0 BEADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC000271960701 385864208 /nfs/dbraw/zinc/86/42/08/385864208.db2.gz GRMNQLXWSDDHLV-VXGBXAGGSA-N 2 2 238.350 2.469 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)CC2 ZINC000338016798 385875568 /nfs/dbraw/zinc/87/55/68/385875568.db2.gz VRYLEZKFHZCEOW-MCIONIFRSA-N 2 2 245.370 2.366 20 0 BEADLP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC[NH+](CC)CC ZINC000338251486 385928164 /nfs/dbraw/zinc/92/81/64/385928164.db2.gz PNDPBODHRNVQQZ-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1CO[C@@H](C)C[N@H+]1CCC[NH+](CC)CC ZINC000338251486 385928173 /nfs/dbraw/zinc/92/81/73/385928173.db2.gz PNDPBODHRNVQQZ-KBPBESRZSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccncc1 ZINC000414131041 385978584 /nfs/dbraw/zinc/97/85/84/385978584.db2.gz YOPGDVQHWBNTCQ-AWEZNQCLSA-N 2 2 244.342 2.099 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000414131038 385979747 /nfs/dbraw/zinc/97/97/47/385979747.db2.gz YOMRTJRWDVSVPA-STQMWFEESA-N 2 2 235.375 2.377 20 0 BEADLP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000335048712 385944281 /nfs/dbraw/zinc/94/42/81/385944281.db2.gz GPUJXAMSSAMWLK-QYJAPNMZSA-N 2 2 217.316 2.085 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(C)(C)C1 ZINC000336768345 385946287 /nfs/dbraw/zinc/94/62/87/385946287.db2.gz UNPDUNDFMLEHNQ-SNVBAGLBSA-N 2 2 207.321 2.050 20 0 BEADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000414879797 385958019 /nfs/dbraw/zinc/95/80/19/385958019.db2.gz JGSODHRSGQMVOD-SNVBAGLBSA-N 2 2 238.400 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CC1(C)C ZINC000414091148 385958057 /nfs/dbraw/zinc/95/80/57/385958057.db2.gz LGZYFRCCSDSVDA-MROQNXINSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CC1(C)C ZINC000414091148 385958062 /nfs/dbraw/zinc/95/80/62/385958062.db2.gz LGZYFRCCSDSVDA-MROQNXINSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000342216372 385960377 /nfs/dbraw/zinc/96/03/77/385960377.db2.gz QMGLDTYISMNUMU-QMAVJUDZSA-N 2 2 236.334 2.379 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CCC[N@@H+]1C ZINC000336749711 385998882 /nfs/dbraw/zinc/99/88/82/385998882.db2.gz FIFHLCFAJJJRGG-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CCC[N@H+]1C ZINC000336749711 385998887 /nfs/dbraw/zinc/99/88/87/385998887.db2.gz FIFHLCFAJJJRGG-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP CCSCC[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000336751175 386005787 /nfs/dbraw/zinc/00/57/87/386005787.db2.gz CALIFRAJLUDPPM-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000336751175 386005794 /nfs/dbraw/zinc/00/57/94/386005794.db2.gz CALIFRAJLUDPPM-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)C1C(C)(C)C1(C)C ZINC000336751025 386006654 /nfs/dbraw/zinc/00/66/54/386006654.db2.gz GFOJTHSCFJECAI-JTQLQIEISA-N 2 2 212.381 2.208 20 0 BEADLP Cc1oc2ccccc2c1C[N@H+](C)CC[NH3+] ZINC000128733805 386008630 /nfs/dbraw/zinc/00/86/30/386008630.db2.gz YACFPSFEVQLKOA-UHFFFAOYSA-N 2 2 218.300 2.132 20 0 BEADLP Cc1oc2ccccc2c1C[N@@H+](C)CC[NH3+] ZINC000128733805 386008633 /nfs/dbraw/zinc/00/86/33/386008633.db2.gz YACFPSFEVQLKOA-UHFFFAOYSA-N 2 2 218.300 2.132 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000414121256 386014573 /nfs/dbraw/zinc/01/45/73/386014573.db2.gz GFCCHGXNAHQCHE-CQSZACIVSA-N 2 2 233.359 2.131 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414185051 386026166 /nfs/dbraw/zinc/02/61/66/386026166.db2.gz GHHMWXYSZOBOLR-RZFFKMDDSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000414185051 386026170 /nfs/dbraw/zinc/02/61/70/386026170.db2.gz GHHMWXYSZOBOLR-RZFFKMDDSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000221997436 386031569 /nfs/dbraw/zinc/03/15/69/386031569.db2.gz XESFIQWNURMROU-QWRGUYRKSA-N 2 2 248.305 2.157 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000335064643 386034486 /nfs/dbraw/zinc/03/44/86/386034486.db2.gz IBEIDLWHYGRULP-RYUDHWBXSA-N 2 2 242.725 2.449 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000334428601 386036427 /nfs/dbraw/zinc/03/64/27/386036427.db2.gz SQGWDTAKIKYWNR-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)nc1 ZINC000334428601 386036431 /nfs/dbraw/zinc/03/64/31/386036431.db2.gz SQGWDTAKIKYWNR-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)nc1 ZINC000334428601 386036435 /nfs/dbraw/zinc/03/64/35/386036435.db2.gz SQGWDTAKIKYWNR-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)nc1 ZINC000334428601 386036439 /nfs/dbraw/zinc/03/64/39/386036439.db2.gz SQGWDTAKIKYWNR-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP CO[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000425425265 386048052 /nfs/dbraw/zinc/04/80/52/386048052.db2.gz QLEQRCGXMABGNZ-CYBMUJFWSA-N 2 2 249.358 2.014 20 0 BEADLP CN(CC[N@@H+](C)C1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000274534354 386115241 /nfs/dbraw/zinc/11/52/41/386115241.db2.gz ZJZAAZXXVXHAGJ-UHFFFAOYSA-N 2 2 244.342 2.093 20 0 BEADLP Cc1ccc(CC[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000638289901 386118363 /nfs/dbraw/zinc/11/83/63/386118363.db2.gz BWPMVDFFJYMOHR-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP CC(C)C1(C[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000638289882 386118579 /nfs/dbraw/zinc/11/85/79/386118579.db2.gz BNCLFZRIFDTUMP-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C(C)C)C1COC1 ZINC000296019509 386124149 /nfs/dbraw/zinc/12/41/49/386124149.db2.gz MGHZRJNAOUDZCS-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414981703 386069332 /nfs/dbraw/zinc/06/93/32/386069332.db2.gz QZXFQSXOVBUQGZ-JTQLQIEISA-N 2 2 230.714 2.306 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336772685 386071798 /nfs/dbraw/zinc/07/17/98/386071798.db2.gz XYNRMDPONLIMRI-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336772685 386071801 /nfs/dbraw/zinc/07/18/01/386071801.db2.gz XYNRMDPONLIMRI-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CCOc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000414886927 386086083 /nfs/dbraw/zinc/08/60/83/386086083.db2.gz QDNJESQRBHZGAH-UHFFFAOYSA-N 2 2 234.343 2.056 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000296204801 386147478 /nfs/dbraw/zinc/14/74/78/386147478.db2.gz ZHQIJVBCZYCWFK-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000296204801 386147485 /nfs/dbraw/zinc/14/74/85/386147485.db2.gz ZHQIJVBCZYCWFK-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000296204801 386147489 /nfs/dbraw/zinc/14/74/89/386147489.db2.gz ZHQIJVBCZYCWFK-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000296204801 386147495 /nfs/dbraw/zinc/14/74/95/386147495.db2.gz ZHQIJVBCZYCWFK-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C1CC1)C1COC1 ZINC000296191284 386149576 /nfs/dbraw/zinc/14/95/76/386149576.db2.gz YMCSKNOHKOSOCJ-UHFFFAOYSA-N 2 2 246.354 2.186 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C1CC1)C1COC1 ZINC000296191284 386149579 /nfs/dbraw/zinc/14/95/79/386149579.db2.gz YMCSKNOHKOSOCJ-UHFFFAOYSA-N 2 2 246.354 2.186 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000414893226 386154240 /nfs/dbraw/zinc/15/42/40/386154240.db2.gz YTURYMHWTFKSDW-AWEZNQCLSA-N 2 2 216.328 2.016 20 0 BEADLP C[NH+]1CCC(Nc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000334478878 386165833 /nfs/dbraw/zinc/16/58/33/386165833.db2.gz RFNAQSMEVKDQNF-UHFFFAOYSA-N 2 2 245.370 2.467 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000296400560 386171272 /nfs/dbraw/zinc/17/12/72/386171272.db2.gz LMIGSSDQWSZBJA-GFCCVEGCSA-N 2 2 244.342 2.012 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000414330533 386124704 /nfs/dbraw/zinc/12/47/04/386124704.db2.gz CCBDGJASQQCFGY-MJBXVCDLSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000414330533 386124709 /nfs/dbraw/zinc/12/47/09/386124709.db2.gz CCBDGJASQQCFGY-MJBXVCDLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000334466106 386127249 /nfs/dbraw/zinc/12/72/49/386127249.db2.gz CYSUPIYGPNLAMM-FZMZJTMJSA-N 2 2 248.345 2.355 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275446534 386213937 /nfs/dbraw/zinc/21/39/37/386213937.db2.gz GAXCABRJQBFKOV-LSDHHAIUSA-N 2 2 232.371 2.474 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000414898369 386224301 /nfs/dbraw/zinc/22/43/01/386224301.db2.gz SWHZZFRZHPRHSV-LLVKDONJSA-N 2 2 242.725 2.306 20 0 BEADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000347040199 386225691 /nfs/dbraw/zinc/22/56/91/386225691.db2.gz HSPLWJNTIPZGIJ-GBXSZLQWSA-N 2 2 246.354 2.132 20 0 BEADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]1C[NH3+] ZINC000347040199 386225695 /nfs/dbraw/zinc/22/56/95/386225695.db2.gz HSPLWJNTIPZGIJ-GBXSZLQWSA-N 2 2 246.354 2.132 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347114155 386231115 /nfs/dbraw/zinc/23/11/15/386231115.db2.gz SITDTNUJGCAKJY-YOUVMVQBSA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347114155 386231117 /nfs/dbraw/zinc/23/11/17/386231117.db2.gz SITDTNUJGCAKJY-YOUVMVQBSA-N 2 2 234.318 2.262 20 0 BEADLP C[C@@H](F)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347095466 386246606 /nfs/dbraw/zinc/24/66/06/386246606.db2.gz RKQBPKLXQSNARK-YPMHNXCESA-N 2 2 238.306 2.283 20 0 BEADLP C[C@@H](F)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347095466 386246610 /nfs/dbraw/zinc/24/66/10/386246610.db2.gz RKQBPKLXQSNARK-YPMHNXCESA-N 2 2 238.306 2.283 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)nc1 ZINC000338995126 386197370 /nfs/dbraw/zinc/19/73/70/386197370.db2.gz BJRMRHMLSQLPRM-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)nc1 ZINC000338995126 386197376 /nfs/dbraw/zinc/19/73/76/386197376.db2.gz BJRMRHMLSQLPRM-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000289358827 386290956 /nfs/dbraw/zinc/29/09/56/386290956.db2.gz YKDLGAYMMVGAIO-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cnccc1C ZINC000289411829 386298884 /nfs/dbraw/zinc/29/88/84/386298884.db2.gz HXLUBSZIRFIPCZ-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnccc1C ZINC000289411829 386298889 /nfs/dbraw/zinc/29/88/89/386298889.db2.gz HXLUBSZIRFIPCZ-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CCn1c[nH+]cc1CNc1ccc(C)c[nH+]1 ZINC000416425047 386301699 /nfs/dbraw/zinc/30/16/99/386301699.db2.gz GWJRGLQLGFPAJY-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP CCn1c[nH+]cc1CNc1[nH+]ccn1CC(C)C ZINC000416428905 386303406 /nfs/dbraw/zinc/30/34/06/386303406.db2.gz SLVMOFKAXFPYLR-UHFFFAOYSA-N 2 2 247.346 2.368 20 0 BEADLP CCn1c[nH+]cc1CNc1[nH+]c(C)ccc1OC ZINC000416428366 386303705 /nfs/dbraw/zinc/30/37/05/386303705.db2.gz UGEBYLXTQNRYCR-UHFFFAOYSA-N 2 2 246.314 2.227 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000187081914 386304385 /nfs/dbraw/zinc/30/43/85/386304385.db2.gz UANXCNVOHAQLQK-LLVKDONJSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000187081914 386304389 /nfs/dbraw/zinc/30/43/89/386304389.db2.gz UANXCNVOHAQLQK-LLVKDONJSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC[NH+](C)C ZINC000088131466 386304539 /nfs/dbraw/zinc/30/45/39/386304539.db2.gz QPEAWWLVVBGFFF-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CCC1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000453277520 386311601 /nfs/dbraw/zinc/31/16/01/386311601.db2.gz DESBREKQRWDOJS-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP CCC1([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000453277520 386311603 /nfs/dbraw/zinc/31/16/03/386311603.db2.gz DESBREKQRWDOJS-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP CC(C)C[C@@H](C)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933164 386321148 /nfs/dbraw/zinc/32/11/48/386321148.db2.gz DHIFWSMPEJYDBI-LLVKDONJSA-N 2 2 221.348 2.450 20 0 BEADLP CC(C)C[C@@H](C)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647933164 386321152 /nfs/dbraw/zinc/32/11/52/386321152.db2.gz DHIFWSMPEJYDBI-LLVKDONJSA-N 2 2 221.348 2.450 20 0 BEADLP C[N@H+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289220254 386275245 /nfs/dbraw/zinc/27/52/45/386275245.db2.gz CKZCACMLLSZMHJ-FUNVUKJBSA-N 2 2 234.343 2.337 20 0 BEADLP C[N@@H+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289220254 386275250 /nfs/dbraw/zinc/27/52/50/386275250.db2.gz CKZCACMLLSZMHJ-FUNVUKJBSA-N 2 2 234.343 2.337 20 0 BEADLP C[NH+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289220254 386275259 /nfs/dbraw/zinc/27/52/59/386275259.db2.gz CKZCACMLLSZMHJ-FUNVUKJBSA-N 2 2 234.343 2.337 20 0 BEADLP C[NH+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289220254 386275262 /nfs/dbraw/zinc/27/52/62/386275262.db2.gz CKZCACMLLSZMHJ-FUNVUKJBSA-N 2 2 234.343 2.337 20 0 BEADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CC1 ZINC000347349102 386343580 /nfs/dbraw/zinc/34/35/80/386343580.db2.gz VEXXCMNBFDWXFZ-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC1CC1 ZINC000347349102 386343584 /nfs/dbraw/zinc/34/35/84/386343584.db2.gz VEXXCMNBFDWXFZ-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000335278761 386346569 /nfs/dbraw/zinc/34/65/69/386346569.db2.gz NZLAWHARIXHJSX-UHFFFAOYSA-N 2 2 242.725 2.321 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC1 ZINC000336774741 386364978 /nfs/dbraw/zinc/36/49/78/386364978.db2.gz ZOZUHDKEZYKYOT-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]CCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000647890122 386367030 /nfs/dbraw/zinc/36/70/30/386367030.db2.gz QSSKIMHWARDYGQ-CYBMUJFWSA-N 2 2 222.307 2.182 20 0 BEADLP C[NH2+]CCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000647890122 386367031 /nfs/dbraw/zinc/36/70/31/386367031.db2.gz QSSKIMHWARDYGQ-CYBMUJFWSA-N 2 2 222.307 2.182 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000415006366 386325758 /nfs/dbraw/zinc/32/57/58/386325758.db2.gz BGMVPIPKXMMUGK-RKDXNWHRSA-N 2 2 227.377 2.092 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1occc1C ZINC000289573176 386329089 /nfs/dbraw/zinc/32/90/89/386329089.db2.gz ZWAFCSLHDGRSNX-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1occc1C ZINC000289573176 386329094 /nfs/dbraw/zinc/32/90/94/386329094.db2.gz ZWAFCSLHDGRSNX-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP CCSCC[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000336773939 386329822 /nfs/dbraw/zinc/32/98/22/386329822.db2.gz WNBNKWPFPFFNHW-ZDUSSCGKSA-N 2 2 244.448 2.450 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000276488456 386332304 /nfs/dbraw/zinc/33/23/04/386332304.db2.gz UUXLNNUUBGRUJI-ZFWWWQNUSA-N 2 2 248.370 2.337 20 0 BEADLP CO[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]ccc2C)C1 ZINC000289647009 386337195 /nfs/dbraw/zinc/33/71/95/386337195.db2.gz XVJHDFHQKXBZGQ-GASCZTMLSA-N 2 2 248.370 2.432 20 0 BEADLP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]ccc2C)C1 ZINC000289647009 386337199 /nfs/dbraw/zinc/33/71/99/386337199.db2.gz XVJHDFHQKXBZGQ-GASCZTMLSA-N 2 2 248.370 2.432 20 0 BEADLP c1coc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299302683 386437905 /nfs/dbraw/zinc/43/79/05/386437905.db2.gz BLMVLPJCZQHEIB-UHFFFAOYSA-N 2 2 234.343 2.386 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC12CCC2)C1CC1 ZINC000336754138 386441464 /nfs/dbraw/zinc/44/14/64/386441464.db2.gz FKHACAKWTGLSJR-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC12CCC2)C1CC1 ZINC000336754138 386441467 /nfs/dbraw/zinc/44/14/67/386441467.db2.gz FKHACAKWTGLSJR-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cncs2)CC1 ZINC000277597285 386450376 /nfs/dbraw/zinc/45/03/76/386450376.db2.gz VJZFWCXZPSRWCB-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000277597285 386450381 /nfs/dbraw/zinc/45/03/81/386450381.db2.gz VJZFWCXZPSRWCB-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP CCC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000336705503 386396026 /nfs/dbraw/zinc/39/60/26/386396026.db2.gz QSQMHQNKRIEVSF-UHFFFAOYSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000290133983 386397749 /nfs/dbraw/zinc/39/77/49/386397749.db2.gz VGKLUUABLBIAON-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@](C)(O)C1 ZINC000290133983 386397758 /nfs/dbraw/zinc/39/77/58/386397758.db2.gz VGKLUUABLBIAON-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H]2c2cccnc2)c[nH+]1 ZINC000336706411 386398234 /nfs/dbraw/zinc/39/82/34/386398234.db2.gz JVYIMNTYHYZZNN-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H]2c2cccnc2)c[nH+]1 ZINC000336706411 386398236 /nfs/dbraw/zinc/39/82/36/386398236.db2.gz JVYIMNTYHYZZNN-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000414908162 386399045 /nfs/dbraw/zinc/39/90/45/386399045.db2.gz BBIBNSLANLEXCS-GWCFXTLKSA-N 2 2 238.762 2.428 20 0 BEADLP Clc1cnc(C[NH2+]CC[C@H]2CCC[NH2+]2)s1 ZINC000414908474 386399157 /nfs/dbraw/zinc/39/91/57/386399157.db2.gz RYDWFCDWZGBTMR-MRVPVSSYSA-N 2 2 245.779 2.028 20 0 BEADLP COC[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000290128719 386399517 /nfs/dbraw/zinc/39/95/17/386399517.db2.gz UVMOVDBONCCXNA-AWEZNQCLSA-N 2 2 248.370 2.291 20 0 BEADLP COC[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000290128719 386399522 /nfs/dbraw/zinc/39/95/22/386399522.db2.gz UVMOVDBONCCXNA-AWEZNQCLSA-N 2 2 248.370 2.291 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H](C)C1 ZINC000414757845 386406021 /nfs/dbraw/zinc/40/60/21/386406021.db2.gz LVOGDSBQJKITJN-OLZOCXBDSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@@H](C)C1 ZINC000414757845 386406024 /nfs/dbraw/zinc/40/60/24/386406024.db2.gz LVOGDSBQJKITJN-OLZOCXBDSA-N 2 2 212.381 2.482 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336776938 386410751 /nfs/dbraw/zinc/41/07/51/386410751.db2.gz GYJWWWHCZGZQNI-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP COc1cccc(C2CC[NH+](C[C@@H](C)[NH3+])CC2)c1 ZINC000442664075 386413639 /nfs/dbraw/zinc/41/36/39/386413639.db2.gz LKEVJRPNSGDDCG-GFCCVEGCSA-N 2 2 248.370 2.222 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415009387 386420630 /nfs/dbraw/zinc/42/06/30/386420630.db2.gz NZUJAZBGUWWFNB-IUCAKERBSA-N 2 2 239.388 2.236 20 0 BEADLP CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000336710645 386424352 /nfs/dbraw/zinc/42/43/52/386424352.db2.gz ZXHMOUCBGWCVPK-ZDUSSCGKSA-N 2 2 221.348 2.314 20 0 BEADLP CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000336710645 386424356 /nfs/dbraw/zinc/42/43/56/386424356.db2.gz ZXHMOUCBGWCVPK-ZDUSSCGKSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000290404477 386428484 /nfs/dbraw/zinc/42/84/84/386428484.db2.gz JPMZOKUSWXMWPS-CHWSQXEVSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000290404477 386428487 /nfs/dbraw/zinc/42/84/87/386428487.db2.gz JPMZOKUSWXMWPS-CHWSQXEVSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290404477 386428492 /nfs/dbraw/zinc/42/84/92/386428492.db2.gz JPMZOKUSWXMWPS-CHWSQXEVSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000290404477 386428498 /nfs/dbraw/zinc/42/84/98/386428498.db2.gz JPMZOKUSWXMWPS-CHWSQXEVSA-N 2 2 236.359 2.360 20 0 BEADLP C[N@H+](Cc1c(F)cccc1F)CC(C)(C)C[NH3+] ZINC000093872954 386429515 /nfs/dbraw/zinc/42/95/15/386429515.db2.gz TZJVQBGSRDOXNX-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP C[N@@H+](Cc1c(F)cccc1F)CC(C)(C)C[NH3+] ZINC000093872954 386429518 /nfs/dbraw/zinc/42/95/18/386429518.db2.gz TZJVQBGSRDOXNX-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP Cc1occc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336717146 386435690 /nfs/dbraw/zinc/43/56/90/386435690.db2.gz WDMXQIVIBXUSQQ-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1occc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336717146 386435698 /nfs/dbraw/zinc/43/56/98/386435698.db2.gz WDMXQIVIBXUSQQ-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1occc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336717146 386435706 /nfs/dbraw/zinc/43/57/06/386435706.db2.gz WDMXQIVIBXUSQQ-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1occc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336717146 386435711 /nfs/dbraw/zinc/43/57/11/386435711.db2.gz WDMXQIVIBXUSQQ-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000415043510 386528632 /nfs/dbraw/zinc/52/86/32/386528632.db2.gz RMRJIPMUXAJTLI-MRZGDXHCSA-N 2 2 230.355 2.430 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000335426954 386479893 /nfs/dbraw/zinc/47/98/93/386479893.db2.gz ODOWCPSAHVEJAE-VXGBXAGGSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000335426954 386479897 /nfs/dbraw/zinc/47/98/97/386479897.db2.gz ODOWCPSAHVEJAE-VXGBXAGGSA-N 2 2 221.348 2.312 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000415011846 386492155 /nfs/dbraw/zinc/49/21/55/386492155.db2.gz IOLHHZRKJRHOFH-BQBZGAKWSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417328209 386498315 /nfs/dbraw/zinc/49/83/15/386498315.db2.gz IFEQTUJOCYCCHL-GRYCIOLGSA-N 2 2 238.400 2.391 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415016127 386499316 /nfs/dbraw/zinc/49/93/16/386499316.db2.gz ZSMCTTBWOTVXMD-IUCAKERBSA-N 2 2 241.404 2.266 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)C[N@@H+]1C1CC1 ZINC000417336049 386504649 /nfs/dbraw/zinc/50/46/49/386504649.db2.gz JLHBCUJANMFBCL-GRYCIOLGSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC23CC3)C[N@H+]1C1CC1 ZINC000417336049 386504653 /nfs/dbraw/zinc/50/46/53/386504653.db2.gz JLHBCUJANMFBCL-GRYCIOLGSA-N 2 2 220.360 2.001 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000415050942 386505395 /nfs/dbraw/zinc/50/53/95/386505395.db2.gz FBALUOJVWCURHJ-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1F ZINC000415024768 386514763 /nfs/dbraw/zinc/51/47/63/386514763.db2.gz ZBAODZDOMXYFQD-NXEZZACHSA-N 2 2 240.322 2.050 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000414784787 386517065 /nfs/dbraw/zinc/51/70/65/386517065.db2.gz LIFCMEKNIVLGBE-XHDPSFHLSA-N 2 2 248.370 2.179 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000414784787 386517070 /nfs/dbraw/zinc/51/70/70/386517070.db2.gz LIFCMEKNIVLGBE-XHDPSFHLSA-N 2 2 248.370 2.179 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000188442806 386525003 /nfs/dbraw/zinc/52/50/03/386525003.db2.gz MJFUEVZGVXRVGQ-NEPJUHHUSA-N 2 2 208.349 2.167 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000188442806 386525005 /nfs/dbraw/zinc/52/50/05/386525005.db2.gz MJFUEVZGVXRVGQ-NEPJUHHUSA-N 2 2 208.349 2.167 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000187138998 386457418 /nfs/dbraw/zinc/45/74/18/386457418.db2.gz NFYKOEJVWOTHHM-GFCCVEGCSA-N 2 2 244.448 2.448 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000187138998 386457426 /nfs/dbraw/zinc/45/74/26/386457426.db2.gz NFYKOEJVWOTHHM-GFCCVEGCSA-N 2 2 244.448 2.448 20 0 BEADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)no1 ZINC000266689382 386462964 /nfs/dbraw/zinc/46/29/64/386462964.db2.gz AFPRENZBYPHBNP-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414798749 386574615 /nfs/dbraw/zinc/57/46/15/386574615.db2.gz FOMWFTVRHYMPRN-UHFFFAOYSA-N 2 2 239.388 2.238 20 0 BEADLP Cc1cccc(OC[C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000415076845 386578310 /nfs/dbraw/zinc/57/83/10/386578310.db2.gz GSWXSDPEMAOXNM-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)c1ncc(C[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000414788616 386533129 /nfs/dbraw/zinc/53/31/29/386533129.db2.gz DQNBLEWMUOOUIF-LLVKDONJSA-N 2 2 241.404 2.339 20 0 BEADLP COc1ccsc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415056048 386537713 /nfs/dbraw/zinc/53/77/13/386537713.db2.gz PDYRHBZIWHITHI-NSHDSACASA-N 2 2 242.388 2.220 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000415058152 386541292 /nfs/dbraw/zinc/54/12/92/386541292.db2.gz SSMYJGPKXGHYIR-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP CCc1cnc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)s1 ZINC000415058697 386542481 /nfs/dbraw/zinc/54/24/81/386542481.db2.gz WLFKFAIVCHFSKE-JTQLQIEISA-N 2 2 241.404 2.169 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417360180 386547026 /nfs/dbraw/zinc/54/70/26/386547026.db2.gz XEIZJIFXYQPUIE-VIFPVBQESA-N 2 2 238.297 2.401 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@H]1C ZINC000415065585 386547292 /nfs/dbraw/zinc/54/72/92/386547292.db2.gz NCPBSZLOFVPFSD-NILFDRSVSA-N 2 2 248.370 2.016 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000070344527 386550930 /nfs/dbraw/zinc/55/09/30/386550930.db2.gz WSVXHEUOBQWOMX-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000365647736 386571066 /nfs/dbraw/zinc/57/10/66/386571066.db2.gz FGBUONIYSRQSAQ-TZNOJPMFSA-N 2 2 239.750 2.352 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000365647736 386571070 /nfs/dbraw/zinc/57/10/70/386571070.db2.gz FGBUONIYSRQSAQ-TZNOJPMFSA-N 2 2 239.750 2.352 20 0 BEADLP CC(C)c1ncc(C[NH2+]CC(C)(C)[NH3+])s1 ZINC000414808060 386621560 /nfs/dbraw/zinc/62/15/60/386621560.db2.gz SFWUZVLGOPKNLC-UHFFFAOYSA-N 2 2 227.377 2.093 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335496942 386621752 /nfs/dbraw/zinc/62/17/52/386621752.db2.gz VETMNAXIOPHSTG-OCCSQVGLSA-N 2 2 233.359 2.183 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335498374 386622977 /nfs/dbraw/zinc/62/29/77/386622977.db2.gz LIZZXIDSAITPBK-STQMWFEESA-N 2 2 233.359 2.183 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCCO2 ZINC000335498407 386623454 /nfs/dbraw/zinc/62/34/54/386623454.db2.gz LZWHKBMZKYIFAY-GXTWGEPZSA-N 2 2 246.354 2.160 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000335497999 386623712 /nfs/dbraw/zinc/62/37/12/386623712.db2.gz CMBORTYHDOZRRF-VHSXEESVSA-N 2 2 210.346 2.069 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000335498112 386624078 /nfs/dbraw/zinc/62/40/78/386624078.db2.gz CUOGKUJYZAJZFB-MWLCHTKSSA-N 2 2 236.384 2.249 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000335498895 386625951 /nfs/dbraw/zinc/62/59/51/386625951.db2.gz YJEJOSBTGMUMST-DOMZBBRYSA-N 2 2 246.354 2.024 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1scnc1C ZINC000414814226 386643879 /nfs/dbraw/zinc/64/38/79/386643879.db2.gz NMPGSRMQOISQAM-JTQLQIEISA-N 2 2 227.377 2.059 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)c1ccncc1F)C[NH+](C)C ZINC000340390515 386646749 /nfs/dbraw/zinc/64/67/49/386646749.db2.gz PNYOFWMPVKMQIV-QWRGUYRKSA-N 2 2 239.338 2.069 20 0 BEADLP CCC1CC([NH2+]C[C@H]2CCC[N@@H+]2CC)C1 ZINC000336723780 386647087 /nfs/dbraw/zinc/64/70/87/386647087.db2.gz FQRCIVJGRFXTBP-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CC([NH2+]C[C@H]2CCC[N@H+]2CC)C1 ZINC000336723780 386647088 /nfs/dbraw/zinc/64/70/88/386647088.db2.gz FQRCIVJGRFXTBP-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1C ZINC000049668700 386647214 /nfs/dbraw/zinc/64/72/14/386647214.db2.gz RJYKOANPFXXSTP-UHFFFAOYSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1C ZINC000049668700 386647219 /nfs/dbraw/zinc/64/72/19/386647219.db2.gz RJYKOANPFXXSTP-UHFFFAOYSA-N 2 2 218.344 2.227 20 0 BEADLP C[C@@H]([NH3+])c1ccc(C[NH2+]CC[NH2+]C(C)(C)C)cc1 ZINC000414815263 386650321 /nfs/dbraw/zinc/65/03/21/386650321.db2.gz OYZCUIHVIQVWCP-GFCCVEGCSA-N 3 2 249.402 2.184 20 0 BEADLP Cc1ccc(F)c(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414806531 386605090 /nfs/dbraw/zinc/60/50/90/386605090.db2.gz ZNIOIOBKBLBXJK-CYBMUJFWSA-N 2 2 224.323 2.207 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000335490479 386607969 /nfs/dbraw/zinc/60/79/69/386607969.db2.gz DYJLPRNZGSLNHP-CABZTGNLSA-N 2 2 224.373 2.144 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414924172 386616608 /nfs/dbraw/zinc/61/66/08/386616608.db2.gz IIIDZNBTSPRTHK-OCCSQVGLSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923791 386618351 /nfs/dbraw/zinc/61/83/51/386618351.db2.gz FZTGTVCJXSPXOQ-CQSZACIVSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335496267 386618456 /nfs/dbraw/zinc/61/84/56/386618456.db2.gz OZBXLAHKEIYSLY-QWHCGFSZSA-N 2 2 233.359 2.183 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000414819772 386660467 /nfs/dbraw/zinc/66/04/67/386660467.db2.gz ZPBOFUJLFGKGOT-HNNXBMFYSA-N 3 2 249.402 2.430 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041029184 386660619 /nfs/dbraw/zinc/66/06/19/386660619.db2.gz JQNGPNOTZGGZCK-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041029184 386660626 /nfs/dbraw/zinc/66/06/26/386660626.db2.gz JQNGPNOTZGGZCK-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041029140 386660750 /nfs/dbraw/zinc/66/07/50/386660750.db2.gz PKVCZXLZWLHDIN-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041029140 386660754 /nfs/dbraw/zinc/66/07/54/386660754.db2.gz PKVCZXLZWLHDIN-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820357 386665492 /nfs/dbraw/zinc/66/54/92/386665492.db2.gz AOBWHEWOOOUENN-VCDPDADVSA-N 2 2 216.328 2.041 20 0 BEADLP C[N@H+](Cc1cc(F)cc(F)c1)[C@H](C[NH3+])C1CC1 ZINC000097904741 386669279 /nfs/dbraw/zinc/66/92/79/386669279.db2.gz PLWVQPCDAIQZHY-CYBMUJFWSA-N 2 2 240.297 2.134 20 0 BEADLP C[N@@H+](Cc1cc(F)cc(F)c1)[C@H](C[NH3+])C1CC1 ZINC000097904741 386669284 /nfs/dbraw/zinc/66/92/84/386669284.db2.gz PLWVQPCDAIQZHY-CYBMUJFWSA-N 2 2 240.297 2.134 20 0 BEADLP C[NH2+]CC[NH2+]Cc1c(C)oc2ccccc21 ZINC000414820743 386674025 /nfs/dbraw/zinc/67/40/25/386674025.db2.gz DAUUSRKBLYRSAC-UHFFFAOYSA-N 2 2 218.300 2.050 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000335468052 386682833 /nfs/dbraw/zinc/68/28/33/386682833.db2.gz ISWURMCLECZZHJ-MUWHJKNJSA-N 2 2 244.260 2.028 20 0 BEADLP [NH3+][C@@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000414824996 386686471 /nfs/dbraw/zinc/68/64/71/386686471.db2.gz BPBHMSVLXIDUBA-AAEUAGOBSA-N 2 2 236.384 2.029 20 0 BEADLP [NH3+][C@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000414824998 386689264 /nfs/dbraw/zinc/68/92/64/386689264.db2.gz BPBHMSVLXIDUBA-DGCLKSJQSA-N 2 2 236.384 2.029 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC1 ZINC000414827693 386694697 /nfs/dbraw/zinc/69/46/97/386694697.db2.gz HODQITRIMSXFMP-SMDDNHRTSA-N 2 2 218.344 2.465 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324754 386702333 /nfs/dbraw/zinc/70/23/33/386702333.db2.gz QJWZSBUCLLZAOA-HIFRSBDPSA-N 2 2 230.355 2.406 20 0 BEADLP c1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000043326574 386703000 /nfs/dbraw/zinc/70/30/00/386703000.db2.gz BRRBWMHXGDTDKQ-HUUCEWRRSA-N 2 2 230.355 2.479 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043324474 386703407 /nfs/dbraw/zinc/70/34/07/386703407.db2.gz OEZDULNIQNOYTN-GXFFZTMASA-N 2 2 222.307 2.228 20 0 BEADLP Cl/C=C/C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268992198 386733536 /nfs/dbraw/zinc/73/35/36/386733536.db2.gz SJALOTJRVIICLU-YWNRKNDBSA-N 2 2 225.723 2.342 20 0 BEADLP Cl/C=C/C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268992198 386733543 /nfs/dbraw/zinc/73/35/43/386733543.db2.gz SJALOTJRVIICLU-YWNRKNDBSA-N 2 2 225.723 2.342 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000122153873 386737571 /nfs/dbraw/zinc/73/75/71/386737571.db2.gz ZLWAMMXMDXVTGP-ZDUSSCGKSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000122153873 386737581 /nfs/dbraw/zinc/73/75/81/386737581.db2.gz ZLWAMMXMDXVTGP-ZDUSSCGKSA-N 2 2 218.344 2.097 20 0 BEADLP FC1(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000526970610 386713935 /nfs/dbraw/zinc/71/39/35/386713935.db2.gz QVXPQRDXEYHIJS-CYBMUJFWSA-N 2 2 240.366 2.296 20 0 BEADLP FC1(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000526970610 386713943 /nfs/dbraw/zinc/71/39/43/386713943.db2.gz QVXPQRDXEYHIJS-CYBMUJFWSA-N 2 2 240.366 2.296 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000335486013 386716363 /nfs/dbraw/zinc/71/63/63/386716363.db2.gz DURWWXDUNNRFBY-XHDPSFHLSA-N 2 2 246.354 2.119 20 0 BEADLP CC[C@@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000268919042 386720346 /nfs/dbraw/zinc/72/03/46/386720346.db2.gz UCRIDFLGPZKOAK-CYBMUJFWSA-N 2 2 246.398 2.474 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000336761078 386753010 /nfs/dbraw/zinc/75/30/10/386753010.db2.gz MHKJOWUGZUQXBL-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000336761078 386753012 /nfs/dbraw/zinc/75/30/12/386753012.db2.gz MHKJOWUGZUQXBL-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+]Cc1c(F)cccc1Cl ZINC000414841374 386754761 /nfs/dbraw/zinc/75/47/61/386754761.db2.gz NTRKVHXFMABLHF-VIFPVBQESA-N 2 2 244.741 2.424 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000394957601 386759007 /nfs/dbraw/zinc/75/90/07/386759007.db2.gz BYPXECMSKFILMK-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000394957601 386759011 /nfs/dbraw/zinc/75/90/11/386759011.db2.gz BYPXECMSKFILMK-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414842689 386763374 /nfs/dbraw/zinc/76/33/74/386763374.db2.gz JABQRZHCWJZCLW-UHFFFAOYSA-N 2 2 218.344 2.263 20 0 BEADLP C[C@@H](CCc1ccsc1)[NH2+]CC[NH+](C)C ZINC000336761539 386766444 /nfs/dbraw/zinc/76/64/44/386766444.db2.gz NHWARSAOIMKGEK-NSHDSACASA-N 2 2 226.389 2.220 20 0 BEADLP CCC[NH2+][C@H](C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414497898 386742466 /nfs/dbraw/zinc/74/24/66/386742466.db2.gz VCSLWUAPHNYABZ-NXEZZACHSA-N 2 2 240.351 2.176 20 0 BEADLP CCc1ncc(C[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000414838971 386743378 /nfs/dbraw/zinc/74/33/78/386743378.db2.gz LDSBIOPCUDROGE-SNVBAGLBSA-N 2 2 241.404 2.169 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000639396928 386794326 /nfs/dbraw/zinc/79/43/26/386794326.db2.gz MARIWQBHMSIWMB-OAHLLOKOSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000639396928 386794332 /nfs/dbraw/zinc/79/43/32/386794332.db2.gz MARIWQBHMSIWMB-OAHLLOKOSA-N 2 2 248.370 2.368 20 0 BEADLP c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]c1 ZINC000293122183 386780077 /nfs/dbraw/zinc/78/00/77/386780077.db2.gz RBASVNQCYXVXRC-ZDUSSCGKSA-N 2 2 231.343 2.004 20 0 BEADLP CCCC[NH+]1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000301234733 386825720 /nfs/dbraw/zinc/82/57/20/386825720.db2.gz LBXRHBMQULTSOK-UHFFFAOYSA-N 2 2 248.374 2.461 20 0 BEADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000414936615 386837482 /nfs/dbraw/zinc/83/74/82/386837482.db2.gz WTHXAHPOXLTLRM-CQSZACIVSA-N 2 2 248.370 2.260 20 0 BEADLP CO[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000293567520 386839793 /nfs/dbraw/zinc/83/97/93/386839793.db2.gz GRUVNMYYIKRIRZ-HNNXBMFYSA-N 2 2 248.370 2.337 20 0 BEADLP COC[C@H]1CC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000293598254 386846502 /nfs/dbraw/zinc/84/65/02/386846502.db2.gz JACFWNXZFLUKGG-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP COC[C@H]1CC[N@H+]1CCCc1c[nH+]ccc1C ZINC000293598254 386846506 /nfs/dbraw/zinc/84/65/06/386846506.db2.gz JACFWNXZFLUKGG-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000334786493 386847252 /nfs/dbraw/zinc/84/72/52/386847252.db2.gz SQZXTUSDACWGGW-GXTWGEPZSA-N 2 2 234.318 2.155 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)ccc1OC ZINC000414937839 386855955 /nfs/dbraw/zinc/85/59/55/386855955.db2.gz CNYSMDDMNZYVLR-GFCCVEGCSA-N 2 2 236.359 2.091 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414938044 386856341 /nfs/dbraw/zinc/85/63/41/386856341.db2.gz VWVXPUFNWSYSSU-DOMZBBRYSA-N 2 2 248.370 2.173 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414941655 386886873 /nfs/dbraw/zinc/88/68/73/386886873.db2.gz YTHSGBQWPHYPJK-DOMZBBRYSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000334861286 386915594 /nfs/dbraw/zinc/91/55/94/386915594.db2.gz CLUNVTRREPCWKD-CABZTGNLSA-N 2 2 224.373 2.144 20 0 BEADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCOC1 ZINC000358234397 386917300 /nfs/dbraw/zinc/91/73/00/386917300.db2.gz WZJLQJPCAAYPJW-CABCVRRESA-N 2 2 248.370 2.337 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000358145209 386899266 /nfs/dbraw/zinc/89/92/66/386899266.db2.gz ZAIASVKETLNLGF-MPTQWLOMSA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000358145209 386899274 /nfs/dbraw/zinc/89/92/74/386899274.db2.gz ZAIASVKETLNLGF-MPTQWLOMSA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CC[NH2+]1 ZINC000334867038 386923193 /nfs/dbraw/zinc/92/31/93/386923193.db2.gz ZFSXFBGBKKRUJQ-NXEZZACHSA-N 2 2 240.297 2.195 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000367989225 386926038 /nfs/dbraw/zinc/92/60/38/386926038.db2.gz PEMPWDPCIIHUQS-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000367989225 386926043 /nfs/dbraw/zinc/92/60/43/386926043.db2.gz PEMPWDPCIIHUQS-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000334869850 386930842 /nfs/dbraw/zinc/93/08/42/386930842.db2.gz PQKJGSJAOKPYBS-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000334869850 386930846 /nfs/dbraw/zinc/93/08/46/386930846.db2.gz PQKJGSJAOKPYBS-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccoc1 ZINC000368100617 386941229 /nfs/dbraw/zinc/94/12/29/386941229.db2.gz IIZNPCHDOGQLQC-GXSJLCMTSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccoc1 ZINC000368100617 386941232 /nfs/dbraw/zinc/94/12/32/386941232.db2.gz IIZNPCHDOGQLQC-GXSJLCMTSA-N 2 2 231.299 2.211 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C(C1CC1)C1CC1)C2 ZINC000368102372 386941744 /nfs/dbraw/zinc/94/17/44/386941744.db2.gz NSLCXNSADPNXKP-NSHDSACASA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000368102372 386941747 /nfs/dbraw/zinc/94/17/47/386941747.db2.gz NSLCXNSADPNXKP-NSHDSACASA-N 2 2 231.343 2.045 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000425351651 386959983 /nfs/dbraw/zinc/95/99/83/386959983.db2.gz MECHPFIEYDXOKN-OLZOCXBDSA-N 2 2 236.384 2.416 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000425354271 386963295 /nfs/dbraw/zinc/96/32/95/386963295.db2.gz JRHVCQNLQJIUHT-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000425354273 386963571 /nfs/dbraw/zinc/96/35/71/386963571.db2.gz JRHVCQNLQJIUHT-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000334967936 387050624 /nfs/dbraw/zinc/05/06/24/387050624.db2.gz LNOMIIONWPVCAX-IUCAKERBSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000334967936 387050627 /nfs/dbraw/zinc/05/06/27/387050627.db2.gz LNOMIIONWPVCAX-IUCAKERBSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945170 387017269 /nfs/dbraw/zinc/01/72/69/387017269.db2.gz NMTVSYAANJZJCM-GXTWGEPZSA-N 2 2 230.355 2.215 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945170 387017272 /nfs/dbraw/zinc/01/72/72/387017272.db2.gz NMTVSYAANJZJCM-GXTWGEPZSA-N 2 2 230.355 2.215 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC000053149572 387019253 /nfs/dbraw/zinc/01/92/53/387019253.db2.gz MXVZIOXGOYZDKK-JTQLQIEISA-N 2 2 242.725 2.321 20 0 BEADLP C[C@@H](CSc1[nH+]cc2ccccn21)[NH+](C)C ZINC000358856390 387023554 /nfs/dbraw/zinc/02/35/54/387023554.db2.gz VQQABEPBVLYILW-JTQLQIEISA-N 2 2 235.356 2.377 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(O)c1 ZINC000020126900 387074399 /nfs/dbraw/zinc/07/43/99/387074399.db2.gz OLDYOVSITXTVMH-LBPRGKRZSA-N 2 2 234.343 2.139 20 0 BEADLP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1Cl ZINC000423299039 387130405 /nfs/dbraw/zinc/13/04/05/387130405.db2.gz AUNFQUNCOILBDF-VIFPVBQESA-N 2 2 224.735 2.210 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000070892441 387078145 /nfs/dbraw/zinc/07/81/45/387078145.db2.gz NBPOLOYHPJDSCE-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000070892441 387078146 /nfs/dbraw/zinc/07/81/46/387078146.db2.gz NBPOLOYHPJDSCE-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP C[C@@H]1C[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000334989366 387078401 /nfs/dbraw/zinc/07/84/01/387078401.db2.gz GYCAYCKOSDCRLI-NEPJUHHUSA-N 2 2 219.332 2.176 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000418057890 387079445 /nfs/dbraw/zinc/07/94/45/387079445.db2.gz NRAUVGQVHHFGDN-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000418057890 387079450 /nfs/dbraw/zinc/07/94/50/387079450.db2.gz NRAUVGQVHHFGDN-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)n1 ZINC000334997193 387087875 /nfs/dbraw/zinc/08/78/75/387087875.db2.gz AXWVLTJPNLTPPX-IUODEOHRSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)n1 ZINC000334997193 387087880 /nfs/dbraw/zinc/08/78/80/387087880.db2.gz AXWVLTJPNLTPPX-IUODEOHRSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)cc2cccnc12 ZINC000335002970 387096055 /nfs/dbraw/zinc/09/60/55/387096055.db2.gz DFXXNKUMALQKSW-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C2)cc2cccnc12 ZINC000335002970 387096062 /nfs/dbraw/zinc/09/60/62/387096062.db2.gz DFXXNKUMALQKSW-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc(CSCC[NH+](C)C)c(C)[nH+]1 ZINC000186629977 387117565 /nfs/dbraw/zinc/11/75/65/387117565.db2.gz BGFCAVKODFZKPJ-UHFFFAOYSA-N 2 2 224.373 2.493 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000423298857 387129584 /nfs/dbraw/zinc/12/95/84/387129584.db2.gz OZPONGSRSZRMIS-ZJUUUORDSA-N 2 2 227.377 2.311 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070536193 387068021 /nfs/dbraw/zinc/06/80/21/387068021.db2.gz YQQHIFHCAIRQEB-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070536193 387068025 /nfs/dbraw/zinc/06/80/25/387068025.db2.gz YQQHIFHCAIRQEB-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP Cc1cccc(CC[N@@H+]2CCn3c[nH+]cc3C2)c1 ZINC000336228278 387068306 /nfs/dbraw/zinc/06/83/06/387068306.db2.gz VWCPOOJEAPWVSQ-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1cccc(CC[N@H+]2CCn3c[nH+]cc3C2)c1 ZINC000336228278 387068309 /nfs/dbraw/zinc/06/83/09/387068309.db2.gz VWCPOOJEAPWVSQ-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648536810 387142249 /nfs/dbraw/zinc/14/22/49/387142249.db2.gz JYCMDRHDMKRAKD-OAHLLOKOSA-N 2 2 232.371 2.085 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423310807 387148061 /nfs/dbraw/zinc/14/80/61/387148061.db2.gz ONPXWWKKUIBRKC-CQSZACIVSA-N 2 2 248.370 2.359 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322135117 387153521 /nfs/dbraw/zinc/15/35/21/387153521.db2.gz FRNZOBNZGSLJQA-UMSGYPCISA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322135117 387153526 /nfs/dbraw/zinc/15/35/26/387153526.db2.gz FRNZOBNZGSLJQA-UMSGYPCISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423314950 387154174 /nfs/dbraw/zinc/15/41/74/387154174.db2.gz IGCREFHWQYJHKA-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccn1 ZINC000423315461 387156898 /nfs/dbraw/zinc/15/68/98/387156898.db2.gz ITOSWWDQZGSLOP-CHWSQXEVSA-N 2 2 233.359 2.250 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)o1 ZINC000423318946 387158671 /nfs/dbraw/zinc/15/86/71/387158671.db2.gz LEVAMMWHPVKJDN-ZANVPECISA-N 2 2 222.332 2.284 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)oc1C ZINC000423323114 387164129 /nfs/dbraw/zinc/16/41/29/387164129.db2.gz OHLJGRTYDPANSE-SKDRFNHKSA-N 2 2 222.332 2.284 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000423322731 387165984 /nfs/dbraw/zinc/16/59/84/387165984.db2.gz GRSYZNNDZZDWOK-KGLIPLIRSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)ccc1F ZINC000423322610 387166135 /nfs/dbraw/zinc/16/61/35/387166135.db2.gz NWGZYYQZKPMEFH-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423323637 387167487 /nfs/dbraw/zinc/16/74/87/387167487.db2.gz JXOYYOZKCQSXBH-DGCLKSJQSA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH2+]CCOC ZINC000423330064 387173070 /nfs/dbraw/zinc/17/30/70/387173070.db2.gz LUZPKBACFWIEQJ-MGPQQGTHSA-N 2 2 242.407 2.027 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423334567 387180962 /nfs/dbraw/zinc/18/09/62/387180962.db2.gz WSBSDZZNBHXTAP-GWCFXTLKSA-N 2 2 233.359 2.032 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(F)c1F ZINC000423337392 387185145 /nfs/dbraw/zinc/18/51/45/387185145.db2.gz VLUNWPQGVLKGRT-SECBINFHSA-N 2 2 240.297 2.497 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000423355259 387204948 /nfs/dbraw/zinc/20/49/48/387204948.db2.gz FCEJMWYOGYQBKB-KCPJHIHWSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cs1 ZINC000423354769 387205013 /nfs/dbraw/zinc/20/50/13/387205013.db2.gz GWJOEIGKDKDUPE-GXSJLCMTSA-N 2 2 239.388 2.244 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000571914992 387205208 /nfs/dbraw/zinc/20/52/08/387205208.db2.gz ABFQACDHMQYXNC-GJZGRUSLSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000423355256 387205545 /nfs/dbraw/zinc/20/55/45/387205545.db2.gz FCEJMWYOGYQBKB-BYCMXARLSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423353003 387205604 /nfs/dbraw/zinc/20/56/04/387205604.db2.gz AVZRFBAARBMTDA-ZYHUDNBSSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000162027407 387206550 /nfs/dbraw/zinc/20/65/50/387206550.db2.gz PFWGLJMENSFTOS-ZETCQYMHSA-N 2 2 233.142 2.430 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000423357927 387210536 /nfs/dbraw/zinc/21/05/36/387210536.db2.gz IZSZTSNDKZSDBW-USWWRNFRSA-N 2 2 222.332 2.237 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423358335 387211082 /nfs/dbraw/zinc/21/10/82/387211082.db2.gz JNXFCCJBOGDZQW-SGMGOOAPSA-N 2 2 233.359 2.039 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000423363243 387216327 /nfs/dbraw/zinc/21/63/27/387216327.db2.gz NUBVYRQTAKOICP-GMXVVIOVSA-N 2 2 236.359 2.491 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423365115 387217902 /nfs/dbraw/zinc/21/79/02/387217902.db2.gz PFGXDUZJCWUSBV-XUJVJEKNSA-N 2 2 248.370 2.344 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423365111 387218279 /nfs/dbraw/zinc/21/82/79/387218279.db2.gz PFGXDUZJCWUSBV-SLEUVZQESA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000423370592 387223353 /nfs/dbraw/zinc/22/33/53/387223353.db2.gz UJWMYNPOEBJCOL-RTXFEEFZSA-N 2 2 234.343 2.245 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccncc1F ZINC000423372989 387227122 /nfs/dbraw/zinc/22/71/22/387227122.db2.gz GMYBIIJEYWYUCR-VWYCJHECSA-N 2 2 237.322 2.012 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000643497127 387227396 /nfs/dbraw/zinc/22/73/96/387227396.db2.gz YZBJZQGWPIDMIB-QWHCGFSZSA-N 2 2 233.359 2.101 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000353560010 387231351 /nfs/dbraw/zinc/23/13/51/387231351.db2.gz GSZHMYMJKPRDHD-SNVBAGLBSA-N 2 2 242.750 2.317 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000353560010 387231353 /nfs/dbraw/zinc/23/13/53/387231353.db2.gz GSZHMYMJKPRDHD-SNVBAGLBSA-N 2 2 242.750 2.317 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423326821 387232216 /nfs/dbraw/zinc/23/22/16/387232216.db2.gz REEUPACXSJLFIA-RISCZKNCSA-N 2 2 248.370 2.473 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C2 ZINC000353606010 387241629 /nfs/dbraw/zinc/24/16/29/387241629.db2.gz CXBJSKNNBLBFRG-UPJWGTAASA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)CC2 ZINC000353606010 387241633 /nfs/dbraw/zinc/24/16/33/387241633.db2.gz CXBJSKNNBLBFRG-UPJWGTAASA-N 2 2 245.370 2.435 20 0 BEADLP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120411078 387245271 /nfs/dbraw/zinc/24/52/71/387245271.db2.gz AAFKHHWQKNURSX-NEPJUHHUSA-N 2 2 222.376 2.391 20 0 BEADLP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120411078 387245274 /nfs/dbraw/zinc/24/52/74/387245274.db2.gz AAFKHHWQKNURSX-NEPJUHHUSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCCO1 ZINC000063074097 387246985 /nfs/dbraw/zinc/24/69/85/387246985.db2.gz AEORBYSNRBZWGE-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCCO1 ZINC000063074097 387246991 /nfs/dbraw/zinc/24/69/91/387246991.db2.gz AEORBYSNRBZWGE-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353654570 387250886 /nfs/dbraw/zinc/25/08/86/387250886.db2.gz VWRHGQCZYGHXLP-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP CO[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353654570 387250889 /nfs/dbraw/zinc/25/08/89/387250889.db2.gz VWRHGQCZYGHXLP-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1ccc(CCCN2CC[NH2+]C(C)(C)C2)c[nH+]1 ZINC000353653156 387251610 /nfs/dbraw/zinc/25/16/10/387251610.db2.gz SWKXKBCQUHLSRK-UHFFFAOYSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@H](O)CC1 ZINC000571924681 387199602 /nfs/dbraw/zinc/19/96/02/387199602.db2.gz NJSWBWAQZLFWMU-SHTZXODSSA-N 2 2 248.370 2.216 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1OC ZINC000423464194 387312422 /nfs/dbraw/zinc/31/24/22/387312422.db2.gz LXZCOIYIUUFWEN-AAEUAGOBSA-N 2 2 236.359 2.473 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000423465564 387313034 /nfs/dbraw/zinc/31/30/34/387313034.db2.gz MSGLASLTESMSJC-CMPLNLGQSA-N 2 2 238.379 2.160 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423467886 387315346 /nfs/dbraw/zinc/31/53/46/387315346.db2.gz OEBFGUSHTGDKET-JSGCOSHPSA-N 2 2 235.375 2.496 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423467029 387315650 /nfs/dbraw/zinc/31/56/50/387315650.db2.gz NWGJREJJOMWYDV-RYUDHWBXSA-N 2 2 236.359 2.473 20 0 BEADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cnn1C(C)C ZINC000423466847 387315708 /nfs/dbraw/zinc/31/57/08/387315708.db2.gz NRGXVEIYVXDBAH-DCAQKATOSA-N 2 2 238.379 2.159 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1C[C@@H]1C ZINC000321504904 387267665 /nfs/dbraw/zinc/26/76/65/387267665.db2.gz HIEUOIKIUMXIRG-BFHYXJOUSA-N 2 2 224.392 2.352 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccsc1 ZINC000423385727 387268598 /nfs/dbraw/zinc/26/85/98/387268598.db2.gz QZWIKJRGAIUYNA-ZJUUUORDSA-N 2 2 212.362 2.397 20 0 BEADLP Cc1occc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000321531500 387272580 /nfs/dbraw/zinc/27/25/80/387272580.db2.gz PRHOLAZGHFOXOS-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP Cc1occc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000321531500 387272584 /nfs/dbraw/zinc/27/25/84/387272584.db2.gz PRHOLAZGHFOXOS-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC000423388108 387273230 /nfs/dbraw/zinc/27/32/30/387273230.db2.gz SZPSXCABIXDDOU-YGRLFVJLSA-N 2 2 236.334 2.401 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423390394 387275194 /nfs/dbraw/zinc/27/51/94/387275194.db2.gz VXKSQUYCQMUWAS-NEPJUHHUSA-N 2 2 248.370 2.365 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423391441 387276046 /nfs/dbraw/zinc/27/60/46/387276046.db2.gz WVEWOGLJLDLHJI-ABAIWWIYSA-N 2 2 248.370 2.270 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000423393583 387278538 /nfs/dbraw/zinc/27/85/38/387278538.db2.gz YVHWVIALIDOYNZ-VXGBXAGGSA-N 2 2 236.359 2.344 20 0 BEADLP CC[NH2+]CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000643499037 387283268 /nfs/dbraw/zinc/28/32/68/387283268.db2.gz NSRUCXUDLBWDJC-SECBINFHSA-N 2 2 241.404 2.410 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000423440597 387290516 /nfs/dbraw/zinc/29/05/16/387290516.db2.gz ASJOWFAAKJCQPH-ONGXEEELSA-N 2 2 210.321 2.284 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423449543 387296843 /nfs/dbraw/zinc/29/68/43/387296843.db2.gz RTXIZCRHWNXENK-CIUDSAMLSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423451886 387299184 /nfs/dbraw/zinc/29/91/84/387299184.db2.gz VQZLESQPQBJTLK-CIUDSAMLSA-N 2 2 227.739 2.121 20 0 BEADLP CCC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccn1 ZINC000423452752 387300143 /nfs/dbraw/zinc/30/01/43/387300143.db2.gz WUYOHACLFJFBMU-MDZLAQPJSA-N 2 2 221.348 2.248 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423456122 387303323 /nfs/dbraw/zinc/30/33/23/387303323.db2.gz DFCRTGHBDWSUPG-ONGXEEELSA-N 2 2 210.321 2.284 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000233794753 387305453 /nfs/dbraw/zinc/30/54/53/387305453.db2.gz XJFFELBOWWOWGC-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc(C)n1 ZINC000423543386 387368380 /nfs/dbraw/zinc/36/83/80/387368380.db2.gz HEXWVQCDFKCQGJ-DZGCQCFKSA-N 2 2 247.386 2.319 20 0 BEADLP c1coc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373491946 387375266 /nfs/dbraw/zinc/37/52/66/387375266.db2.gz ZWZGKTZRAIYVPF-UHFFFAOYSA-N 2 2 234.343 2.386 20 0 BEADLP CC[C@H](CCO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354477336 387380489 /nfs/dbraw/zinc/38/04/89/387380489.db2.gz MTEBSYRSGJLWRP-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423472339 387320264 /nfs/dbraw/zinc/32/02/64/387320264.db2.gz QCXLBJRSJCDCCE-RYUDHWBXSA-N 2 2 236.359 2.392 20 0 BEADLP c1[nH]cc(C2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC000336502053 387327196 /nfs/dbraw/zinc/32/71/96/387327196.db2.gz XOFHZLGEJCAUBX-UHFFFAOYSA-N 2 2 219.332 2.389 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423484832 387330694 /nfs/dbraw/zinc/33/06/94/387330694.db2.gz YXTJOWAZFQMBCB-WCBMZHEXSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1ccc(F)c(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000336510052 387333162 /nfs/dbraw/zinc/33/31/62/387333162.db2.gz UPQRTNZMIXNJPI-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(F)c(C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000336510052 387333166 /nfs/dbraw/zinc/33/31/66/387333166.db2.gz UPQRTNZMIXNJPI-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccn1 ZINC000423494871 387338561 /nfs/dbraw/zinc/33/85/61/387338561.db2.gz BDSWXHUJBSHFDS-SMDDNHRTSA-N 2 2 233.359 2.250 20 0 BEADLP CC(C)CC(CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423511082 387346974 /nfs/dbraw/zinc/34/69/74/387346974.db2.gz AGPWEKNHMAMWOX-CQSZACIVSA-N 2 2 242.407 2.025 20 0 BEADLP COC1([C@H](C)[NH2+]CC2([NH+](C)C)CC2)CCCC1 ZINC000421850888 387453755 /nfs/dbraw/zinc/45/37/55/387453755.db2.gz FDLYROJXZGASNU-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506456 387459615 /nfs/dbraw/zinc/45/96/15/387459615.db2.gz XRILVZXAAALJTD-LLVKDONJSA-N 2 2 234.343 2.098 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2CCCCC2)n1C ZINC000515498826 387390744 /nfs/dbraw/zinc/39/07/44/387390744.db2.gz CKXLAUZNMINEFB-UHFFFAOYSA-N 2 2 221.348 2.398 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506478 387460044 /nfs/dbraw/zinc/46/00/44/387460044.db2.gz YHTARQJBNBHACV-GFCCVEGCSA-N 2 2 218.344 2.398 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506466 387460147 /nfs/dbraw/zinc/46/01/47/387460147.db2.gz XVMLXOUPLPRQIO-AWEZNQCLSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000354561265 387395426 /nfs/dbraw/zinc/39/54/26/387395426.db2.gz BBABIRHBUMBBJB-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000354560649 387396412 /nfs/dbraw/zinc/39/64/12/387396412.db2.gz BBABIRHBUMBBJB-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000354588795 387400005 /nfs/dbraw/zinc/40/00/05/387400005.db2.gz XASVIBABXMCVQJ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@H](O)[C@@H](C)C2)c[nH+]1 ZINC000354630011 387407275 /nfs/dbraw/zinc/40/72/75/387407275.db2.gz CVQYSPKUSJZFGZ-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@H](O)[C@@H](C)C2)c[nH+]1 ZINC000354630011 387407280 /nfs/dbraw/zinc/40/72/80/387407280.db2.gz CVQYSPKUSJZFGZ-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccncc1 ZINC000361762391 387531091 /nfs/dbraw/zinc/53/10/91/387531091.db2.gz CYRFDIZIJKIAFB-FPMFFAJLSA-N 2 2 233.359 2.072 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccncc1 ZINC000361762391 387531094 /nfs/dbraw/zinc/53/10/94/387531094.db2.gz CYRFDIZIJKIAFB-FPMFFAJLSA-N 2 2 233.359 2.072 20 0 BEADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C(C)(C)C ZINC000122476620 387535014 /nfs/dbraw/zinc/53/50/14/387535014.db2.gz CYXIGMPGBPFLET-AAEUAGOBSA-N 2 2 244.448 2.448 20 0 BEADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1(C)CC1 ZINC000122477801 387535071 /nfs/dbraw/zinc/53/50/71/387535071.db2.gz FTZICKVSDBNZNU-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219148 387538854 /nfs/dbraw/zinc/53/88/54/387538854.db2.gz IHRZLMUDOXDWIL-RYUDHWBXSA-N 2 2 228.355 2.293 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219148 387538861 /nfs/dbraw/zinc/53/88/61/387538861.db2.gz IHRZLMUDOXDWIL-RYUDHWBXSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219148 387538867 /nfs/dbraw/zinc/53/88/67/387538867.db2.gz IHRZLMUDOXDWIL-RYUDHWBXSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(F)CC2)C[C@@H]1C ZINC000527219148 387538871 /nfs/dbraw/zinc/53/88/71/387538871.db2.gz IHRZLMUDOXDWIL-RYUDHWBXSA-N 2 2 228.355 2.293 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506241 387465495 /nfs/dbraw/zinc/46/54/95/387465495.db2.gz PLXSJMREBVMWGS-GFCCVEGCSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccsc1 ZINC000643506315 387465903 /nfs/dbraw/zinc/46/59/03/387465903.db2.gz RVEQKEWCDZKITA-SECBINFHSA-N 2 2 210.346 2.151 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cs1 ZINC000643508217 387482526 /nfs/dbraw/zinc/48/25/26/387482526.db2.gz UELGCDJAEBHQQE-SNVBAGLBSA-N 2 2 224.373 2.459 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c(C)c1 ZINC000643508210 387482855 /nfs/dbraw/zinc/48/28/55/387482855.db2.gz TZDGKGJKBQCEDX-GFCCVEGCSA-N 2 2 248.370 2.406 20 0 BEADLP c1cncc([C@H]([NH2+]CC[NH2+]C2CC2)C2CCC2)c1 ZINC000643507495 387486716 /nfs/dbraw/zinc/48/67/16/387486716.db2.gz GRJPKVFFRAKSRT-OAHLLOKOSA-N 2 2 245.370 2.264 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC000430556847 387628424 /nfs/dbraw/zinc/62/84/24/387628424.db2.gz LOEOXRRJYADOLS-ZDUSSCGKSA-N 2 2 240.297 2.182 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528759241 387592595 /nfs/dbraw/zinc/59/25/95/387592595.db2.gz NIXRSQFNWFSGRH-ABHRYQDASA-N 2 2 248.370 2.334 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000643511762 387594416 /nfs/dbraw/zinc/59/44/16/387594416.db2.gz GPGWXOCUOBUMOO-SCZZXKLOSA-N 2 2 227.377 2.085 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000643511980 387594844 /nfs/dbraw/zinc/59/48/44/387594844.db2.gz YBDMSXJXARZUIV-QWHCGFSZSA-N 2 2 233.359 2.032 20 0 BEADLP CN(C)c1[nH+]cc(C[NH2+]CCC(C)(C)C)n1C ZINC000123859472 387596554 /nfs/dbraw/zinc/59/65/54/387596554.db2.gz ZODNRRLELJMDPI-UHFFFAOYSA-N 2 2 238.379 2.012 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)s1 ZINC000643512744 387597285 /nfs/dbraw/zinc/59/72/85/387597285.db2.gz WRBMMFBYUKSZAT-WRWORJQWSA-N 2 2 239.388 2.148 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000422556301 387601138 /nfs/dbraw/zinc/60/11/38/387601138.db2.gz SPULSJWBAIXUJG-UHFFFAOYSA-N 2 2 218.344 2.263 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)s1 ZINC000643516372 387623892 /nfs/dbraw/zinc/62/38/92/387623892.db2.gz MJEFAGCXEICLEA-CPCISQLKSA-N 2 2 239.388 2.148 20 0 BEADLP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cs1 ZINC000527533468 387625474 /nfs/dbraw/zinc/62/54/74/387625474.db2.gz VUZKOESMMOWNER-NSHDSACASA-N 2 2 222.357 2.122 20 0 BEADLP COCC1([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000527237926 387546705 /nfs/dbraw/zinc/54/67/05/387546705.db2.gz IZZXPJWHVYWZBD-UHFFFAOYSA-N 2 2 234.343 2.091 20 0 BEADLP c1ccc2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCC1)C2 ZINC000035013052 387550565 /nfs/dbraw/zinc/55/05/65/387550565.db2.gz WDYIWZVNWVYURC-MRXNPFEDSA-N 2 2 244.382 2.229 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000121459144 387575361 /nfs/dbraw/zinc/57/53/61/387575361.db2.gz AMOGTZHIRKVJLM-YPMHNXCESA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000121459144 387575367 /nfs/dbraw/zinc/57/53/67/387575367.db2.gz AMOGTZHIRKVJLM-YPMHNXCESA-N 2 2 234.387 2.391 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000527536225 387630630 /nfs/dbraw/zinc/63/06/30/387630630.db2.gz UQINICOHSJVESR-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000527536225 387630635 /nfs/dbraw/zinc/63/06/35/387630635.db2.gz UQINICOHSJVESR-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccn1 ZINC000527536225 387630639 /nfs/dbraw/zinc/63/06/39/387630639.db2.gz UQINICOHSJVESR-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccn1 ZINC000527536225 387630644 /nfs/dbraw/zinc/63/06/44/387630644.db2.gz UQINICOHSJVESR-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527636203 387647345 /nfs/dbraw/zinc/64/73/45/387647345.db2.gz WYAWJJDGLSVKNP-SNPRPXQTSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646199 387652548 /nfs/dbraw/zinc/65/25/48/387652548.db2.gz SOQBVKOWGUYFNC-GHYVTOPFSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646199 387652553 /nfs/dbraw/zinc/65/25/53/387652553.db2.gz SOQBVKOWGUYFNC-GHYVTOPFSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671216 387653212 /nfs/dbraw/zinc/65/32/12/387653212.db2.gz VBPUGCIMEMWREO-DHMWGJHJSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671216 387653214 /nfs/dbraw/zinc/65/32/14/387653214.db2.gz VBPUGCIMEMWREO-DHMWGJHJSA-N 2 2 236.403 2.352 20 0 BEADLP Cc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422753982 387658090 /nfs/dbraw/zinc/65/80/90/387658090.db2.gz JCUPDQWIOGUIRI-HIFRSBDPSA-N 2 2 248.370 2.104 20 0 BEADLP c1coc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376767705 387668960 /nfs/dbraw/zinc/66/89/60/387668960.db2.gz JSEVKLWVYVCXRL-UHFFFAOYSA-N 2 2 231.299 2.102 20 0 BEADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1C ZINC000422771025 387670754 /nfs/dbraw/zinc/67/07/54/387670754.db2.gz XKCWUEHUZNQYGX-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1C ZINC000422771018 387671448 /nfs/dbraw/zinc/67/14/48/387671448.db2.gz XKCWUEHUZNQYGX-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422777066 387675074 /nfs/dbraw/zinc/67/50/74/387675074.db2.gz FBYPHVZHLJJTBY-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000527723705 387676553 /nfs/dbraw/zinc/67/65/53/387676553.db2.gz GBUIXKUBBMUPKD-UHFFFAOYSA-N 2 2 243.354 2.350 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000440771966 387690263 /nfs/dbraw/zinc/69/02/63/387690263.db2.gz SWAQDLJBPFVJAZ-STQMWFEESA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000440771966 387690269 /nfs/dbraw/zinc/69/02/69/387690269.db2.gz SWAQDLJBPFVJAZ-STQMWFEESA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000440771962 387690699 /nfs/dbraw/zinc/69/06/99/387690699.db2.gz SWAQDLJBPFVJAZ-OLZOCXBDSA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000440771962 387690701 /nfs/dbraw/zinc/69/07/01/387690701.db2.gz SWAQDLJBPFVJAZ-OLZOCXBDSA-N 2 2 228.355 2.152 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000222010171 387746779 /nfs/dbraw/zinc/74/67/79/387746779.db2.gz LOMVXXOMXCASGN-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000222012383 387747647 /nfs/dbraw/zinc/74/76/47/387747647.db2.gz IVQJMUBHCZGMHG-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000222012383 387747655 /nfs/dbraw/zinc/74/76/55/387747655.db2.gz IVQJMUBHCZGMHG-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc2ccccc2o1 ZINC000643525964 387754792 /nfs/dbraw/zinc/75/47/92/387754792.db2.gz KKORVDJGPLCIAR-VHSXEESVSA-N 2 2 218.300 2.431 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422800003 387699145 /nfs/dbraw/zinc/69/91/45/387699145.db2.gz ZARKRKMVHFMGLL-DFBGVHRSSA-N 2 2 230.355 2.404 20 0 BEADLP COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422803688 387701095 /nfs/dbraw/zinc/70/10/95/387701095.db2.gz GEPXCLMGISZWRU-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)CS1 ZINC000418115639 387710107 /nfs/dbraw/zinc/71/01/07/387710107.db2.gz PNFGUPNYMKWURX-VXGBXAGGSA-N 2 2 242.432 2.200 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000643521130 387710508 /nfs/dbraw/zinc/71/05/08/387710508.db2.gz FZMFPHLYKMEXAA-QXEWZRGKSA-N 2 2 239.388 2.100 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000527804870 387729247 /nfs/dbraw/zinc/72/92/47/387729247.db2.gz CACJQOKOSMNREE-SMDDNHRTSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000527804870 387729252 /nfs/dbraw/zinc/72/92/52/387729252.db2.gz CACJQOKOSMNREE-SMDDNHRTSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000527804862 387729413 /nfs/dbraw/zinc/72/94/13/387729413.db2.gz CACJQOKOSMNREE-BXUZGUMPSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000527804862 387729417 /nfs/dbraw/zinc/72/94/17/387729417.db2.gz CACJQOKOSMNREE-BXUZGUMPSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000527804866 387729430 /nfs/dbraw/zinc/72/94/30/387729430.db2.gz CACJQOKOSMNREE-RISCZKNCSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000527804866 387729434 /nfs/dbraw/zinc/72/94/34/387729434.db2.gz CACJQOKOSMNREE-RISCZKNCSA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527810019 387732463 /nfs/dbraw/zinc/73/24/63/387732463.db2.gz TUNJLUXPPMRUOC-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527810019 387732469 /nfs/dbraw/zinc/73/24/69/387732469.db2.gz TUNJLUXPPMRUOC-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527867418 387739512 /nfs/dbraw/zinc/73/95/12/387739512.db2.gz JREGCWIPOOIXNP-GFQSEFKGSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527867418 387739516 /nfs/dbraw/zinc/73/95/16/387739516.db2.gz JREGCWIPOOIXNP-GFQSEFKGSA-N 2 2 234.387 2.390 20 0 BEADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527866919 387739869 /nfs/dbraw/zinc/73/98/69/387739869.db2.gz DNYJWHHTDUMZGV-MQYQWHSLSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527866919 387739874 /nfs/dbraw/zinc/73/98/74/387739874.db2.gz DNYJWHHTDUMZGV-MQYQWHSLSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000643527314 387762366 /nfs/dbraw/zinc/76/23/66/387762366.db2.gz KYVSJJDEMMQUCV-HTQZYQBOSA-N 2 2 230.714 2.477 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000129103263 387764905 /nfs/dbraw/zinc/76/49/05/387764905.db2.gz OVVSVSHRIRGXHD-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000129103263 387764910 /nfs/dbraw/zinc/76/49/10/387764910.db2.gz OVVSVSHRIRGXHD-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])n1 ZINC000422897303 387765793 /nfs/dbraw/zinc/76/57/93/387765793.db2.gz ZJSHQXZVRDVVKG-NXEZZACHSA-N 2 2 239.388 2.236 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000643528307 387768123 /nfs/dbraw/zinc/76/81/23/387768123.db2.gz GTVILBYZXBIQQE-QWRGUYRKSA-N 2 2 229.327 2.233 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000643528150 387774735 /nfs/dbraw/zinc/77/47/35/387774735.db2.gz DOSFVHSSNJDQQQ-IUCAKERBSA-N 2 2 239.388 2.020 20 0 BEADLP CC[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422920712 387775253 /nfs/dbraw/zinc/77/52/53/387775253.db2.gz NIKWSSWDCICDNB-BDAKNGLRSA-N 2 2 224.270 2.059 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1nc2c(s1)CCCC2 ZINC000643528149 387775795 /nfs/dbraw/zinc/77/57/95/387775795.db2.gz DOSFVHSSNJDQQQ-DTWKUNHWSA-N 2 2 239.388 2.020 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643529391 387777684 /nfs/dbraw/zinc/77/76/84/387777684.db2.gz ZESUHCVLBZIETJ-GHMZBOCLSA-N 2 2 222.332 2.001 20 0 BEADLP c1coc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000378447536 387784672 /nfs/dbraw/zinc/78/46/72/387784672.db2.gz IFXFMYPMNNSHBZ-ZDUSSCGKSA-N 2 2 245.326 2.356 20 0 BEADLP c1coc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000378447536 387784678 /nfs/dbraw/zinc/78/46/78/387784678.db2.gz IFXFMYPMNNSHBZ-ZDUSSCGKSA-N 2 2 245.326 2.356 20 0 BEADLP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422979413 387789079 /nfs/dbraw/zinc/78/90/79/387789079.db2.gz MQXRAXVJWATNNW-IVZDOJFNSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)[C@@H]1CCC[NH2+]1 ZINC000422979452 387790084 /nfs/dbraw/zinc/79/00/84/387790084.db2.gz MUMGGMWOKDOREE-LEWSCRJBSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)Oc1ccccc1 ZINC000422980152 387791311 /nfs/dbraw/zinc/79/13/11/387791311.db2.gz LCHYYDFLFLZESM-GUTXKFCHSA-N 2 2 248.370 2.042 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1sccc1Cl ZINC000163605638 387799196 /nfs/dbraw/zinc/79/91/96/387799196.db2.gz VPNROVPYJZHJGR-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP COc1ccc[nH+]c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000527983869 387802301 /nfs/dbraw/zinc/80/23/01/387802301.db2.gz XIXRPKUBNJOCGR-GFCCVEGCSA-N 2 2 249.358 2.011 20 0 BEADLP CCC[C@@](C)([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000442748694 387834588 /nfs/dbraw/zinc/83/45/88/387834588.db2.gz MVBPSYGFRQFTCR-JOYOIKCWSA-N 2 2 240.351 2.090 20 0 BEADLP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423015741 387838333 /nfs/dbraw/zinc/83/83/33/387838333.db2.gz RKQCEVAQASCDRV-BYCMXARLSA-N 2 2 245.370 2.263 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442786910 387839013 /nfs/dbraw/zinc/83/90/13/387839013.db2.gz XQVCNNWIIDQILH-MCIGGMRASA-N 2 2 246.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442786910 387839018 /nfs/dbraw/zinc/83/90/18/387839018.db2.gz XQVCNNWIIDQILH-MCIGGMRASA-N 2 2 246.345 2.494 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000643537515 387873851 /nfs/dbraw/zinc/87/38/51/387873851.db2.gz KRNRRCIFQGJBBL-KCQAQPDRSA-N 2 2 248.345 2.272 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423044447 387855355 /nfs/dbraw/zinc/85/53/55/387855355.db2.gz ANVYXTOULOYTLW-IVZWLZJFSA-N 2 2 238.297 2.305 20 0 BEADLP CC[C@](C)([NH2+]C[C@H](C)[NH3+])c1nc(C)cs1 ZINC000442654394 387813915 /nfs/dbraw/zinc/81/39/15/387813915.db2.gz BIEZZGFPAHVWMQ-KWQFWETISA-N 2 2 227.377 2.014 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@H]1C[C@H]1C ZINC000564058618 387814499 /nfs/dbraw/zinc/81/44/99/387814499.db2.gz LGCAMLUSVYUPOM-CRWXNKLISA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@H]1C[C@H]1C ZINC000564058618 387814505 /nfs/dbraw/zinc/81/45/05/387814505.db2.gz LGCAMLUSVYUPOM-CRWXNKLISA-N 2 2 224.392 2.352 20 0 BEADLP Cc1ccc(OC2CC[NH+](C[C@H](C)[NH3+])CC2)cc1 ZINC000442660529 387816483 /nfs/dbraw/zinc/81/64/83/387816483.db2.gz CYOMCGKEWRKNLE-ZDUSSCGKSA-N 2 2 248.370 2.185 20 0 BEADLP C[C@H]([NH3+])C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000442665728 387819655 /nfs/dbraw/zinc/81/96/55/387819655.db2.gz QKBDQSJDMVGCPY-NSHDSACASA-N 2 2 236.334 2.180 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000442665728 387819660 /nfs/dbraw/zinc/81/96/60/387819660.db2.gz QKBDQSJDMVGCPY-NSHDSACASA-N 2 2 236.334 2.180 20 0 BEADLP CC[C@H](CNc1cc(C)[nH+]c(C)n1)[NH+]1CCCC1 ZINC000192811928 387890392 /nfs/dbraw/zinc/89/03/92/387890392.db2.gz JLPGUFUIYNUMPP-CYBMUJFWSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)no1 ZINC000423105834 387891873 /nfs/dbraw/zinc/89/18/73/387891873.db2.gz CMNXUPQMUQHDQV-SRVKXCTJSA-N 2 2 237.347 2.022 20 0 BEADLP CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@H]1CCCC[NH2+]1 ZINC000423115465 387895919 /nfs/dbraw/zinc/89/59/19/387895919.db2.gz XYWNLBOEOFFCGH-ZDCRXTMVSA-N 2 2 232.318 2.150 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1C[C@@H]1C ZINC000322062906 387875193 /nfs/dbraw/zinc/87/51/93/387875193.db2.gz RJGCVGINYCGTNZ-AVGNSLFASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1C[C@H]1C ZINC000322062907 387875523 /nfs/dbraw/zinc/87/55/23/387875523.db2.gz RJGCVGINYCGTNZ-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538589 387877676 /nfs/dbraw/zinc/87/76/76/387877676.db2.gz OLMPEOXZCRZDJL-WOPDTQHZSA-N 2 2 230.371 2.491 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cs1 ZINC000643538861 387878229 /nfs/dbraw/zinc/87/82/29/387878229.db2.gz XZIRGQWOQHFJES-USWWRNFRSA-N 2 2 242.363 2.407 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538632 387878917 /nfs/dbraw/zinc/87/89/17/387878917.db2.gz QGPHIIFRKARXIP-MOLYVOAJSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154538639 387900090 /nfs/dbraw/zinc/90/00/90/387900090.db2.gz HHAGTZJQXCTAMQ-MNOVXSKESA-N 2 2 224.373 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000154538639 387900094 /nfs/dbraw/zinc/90/00/94/387900094.db2.gz HHAGTZJQXCTAMQ-MNOVXSKESA-N 2 2 224.373 2.493 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC000221157124 387929460 /nfs/dbraw/zinc/92/94/60/387929460.db2.gz ZMTYGCMOWFDZBQ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC000221157124 387929464 /nfs/dbraw/zinc/92/94/64/387929464.db2.gz ZMTYGCMOWFDZBQ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@H]1CCCC[NH2+]1 ZINC000423145458 387922643 /nfs/dbraw/zinc/92/26/43/387922643.db2.gz KSDWYZUYKYSVRO-MROQNXINSA-N 2 2 228.355 2.387 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000423145460 387923281 /nfs/dbraw/zinc/92/32/81/387923281.db2.gz KSDWYZUYKYSVRO-RVMXOQNASA-N 2 2 228.355 2.387 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000044534424 387938857 /nfs/dbraw/zinc/93/88/57/387938857.db2.gz HHYRHSBHXNDFLI-RYUDHWBXSA-N 2 2 222.332 2.272 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000044534424 387938861 /nfs/dbraw/zinc/93/88/61/387938861.db2.gz HHYRHSBHXNDFLI-RYUDHWBXSA-N 2 2 222.332 2.272 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2[NH3+])c2ccccc2O1 ZINC000423165454 387947956 /nfs/dbraw/zinc/94/79/56/387947956.db2.gz XYQCQQNFOBPDOV-VZZFWQQMSA-N 2 2 246.354 2.368 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319106 387969383 /nfs/dbraw/zinc/96/93/83/387969383.db2.gz DRMCLQRKNVGESC-BSLXNSKLSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319106 387969386 /nfs/dbraw/zinc/96/93/86/387969386.db2.gz DRMCLQRKNVGESC-BSLXNSKLSA-N 2 2 234.387 2.247 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH3+])c1ccc(F)c(F)c1 ZINC000423186885 387971234 /nfs/dbraw/zinc/97/12/34/387971234.db2.gz ONFBMFTUFHZRLF-GFCCVEGCSA-N 2 2 228.286 2.210 20 0 BEADLP CC[C@@H]([NH2+]CC[NH3+])c1cc(C)ccc1OC ZINC000423193843 387979823 /nfs/dbraw/zinc/97/98/23/387979823.db2.gz XGEXCDJSNZNREN-GFCCVEGCSA-N 2 2 222.332 2.003 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000453078124 387980744 /nfs/dbraw/zinc/98/07/44/387980744.db2.gz XHIJABZSUVWAEF-KBPBESRZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccncc1 ZINC000453078124 387980746 /nfs/dbraw/zinc/98/07/46/387980746.db2.gz XHIJABZSUVWAEF-KBPBESRZSA-N 2 2 233.359 2.217 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197464 387981409 /nfs/dbraw/zinc/98/14/09/387981409.db2.gz ZNPGFDHRNHFRFM-RIEGTJTDSA-N 2 2 248.345 2.401 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423188614 387973017 /nfs/dbraw/zinc/97/30/17/387973017.db2.gz LULMUTRLZFXGQC-OLZOCXBDSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197466 387981665 /nfs/dbraw/zinc/98/16/65/387981665.db2.gz ZNPGFDHRNHFRFM-YVLXSGLVSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423203773 387989828 /nfs/dbraw/zinc/98/98/28/387989828.db2.gz NKJUADDPMVBGEK-BZPMIXESSA-N 2 2 230.355 2.495 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c[nH+]1 ZINC000424362601 387990464 /nfs/dbraw/zinc/99/04/64/387990464.db2.gz AJMLHNNJYZGURR-HUUCEWRRSA-N 3 2 247.386 2.182 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423197536 387984635 /nfs/dbraw/zinc/98/46/35/387984635.db2.gz ZUHFLDJYJIACHA-CHWSQXEVSA-N 2 2 247.386 2.155 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000453097948 387984802 /nfs/dbraw/zinc/98/48/02/387984802.db2.gz WTLRORMOJMHPIC-GXTWGEPZSA-N 2 2 244.342 2.408 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+](C)C ZINC000453107618 387985619 /nfs/dbraw/zinc/98/56/19/387985619.db2.gz LPLCCLUBQQHBGJ-UONOGXRCSA-N 2 2 249.402 2.333 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1CCC[NH2+]1 ZINC000400511937 387986424 /nfs/dbraw/zinc/98/64/24/387986424.db2.gz JMENSHMWYWTCNZ-DRZSPHRISA-N 2 2 234.343 2.387 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000453107619 387986411 /nfs/dbraw/zinc/98/64/11/387986411.db2.gz LPLCCLUBQQHBGJ-ZIAGYGMSSA-N 2 2 249.402 2.333 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1CCC[NH2+]1 ZINC000400511939 387986758 /nfs/dbraw/zinc/98/67/58/387986758.db2.gz JMENSHMWYWTCNZ-WCFLWFBJSA-N 2 2 234.343 2.387 20 0 BEADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)[NH+](C)C ZINC000453115332 387987145 /nfs/dbraw/zinc/98/71/45/387987145.db2.gz XEVKYYAIAPOBIJ-GWCFXTLKSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217498 387999664 /nfs/dbraw/zinc/99/96/64/387999664.db2.gz PXKXNTHKFZFLFQ-ZJUUUORDSA-N 2 2 219.332 2.192 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccncc1F ZINC000424374802 387999911 /nfs/dbraw/zinc/99/99/11/387999911.db2.gz LRQQCBTYXIZZQJ-OASPWFOLSA-N 2 2 237.322 2.141 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000423217944 388000209 /nfs/dbraw/zinc/00/02/09/388000209.db2.gz SWGSOXITBAHGSF-KBPBESRZSA-N 2 2 218.344 2.398 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423223167 388003737 /nfs/dbraw/zinc/00/37/37/388003737.db2.gz FDNOOAHVCBXSHJ-ZDUSSCGKSA-N 2 2 222.307 2.012 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000423223456 388006113 /nfs/dbraw/zinc/00/61/13/388006113.db2.gz GOLZKNDMUQBNNO-ZDUSSCGKSA-N 2 2 242.313 2.471 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)sc1C ZINC000423226589 388009760 /nfs/dbraw/zinc/00/97/60/388009760.db2.gz RJLCLNYEWRFOIP-SECBINFHSA-N 2 2 212.362 2.235 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000423226352 388009985 /nfs/dbraw/zinc/00/99/85/388009985.db2.gz QKFMKFCSEXGEOE-LLVKDONJSA-N 2 2 224.323 2.313 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000423241764 388024616 /nfs/dbraw/zinc/02/46/16/388024616.db2.gz IICTXRVLHYWGBR-SNVBAGLBSA-N 2 2 239.388 2.028 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1sccc1C ZINC000423241375 388024974 /nfs/dbraw/zinc/02/49/74/388024974.db2.gz HXIVZFAMIYMJLU-SNVBAGLBSA-N 2 2 212.362 2.317 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423243284 388025436 /nfs/dbraw/zinc/02/54/36/388025436.db2.gz JZCSIXCDYIQESK-LLVKDONJSA-N 2 2 229.327 2.105 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000423243442 388025620 /nfs/dbraw/zinc/02/56/20/388025620.db2.gz WMFRVPYEKPSMKM-IUODEOHRSA-N 2 2 246.354 2.024 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000423226786 388011508 /nfs/dbraw/zinc/01/15/08/388011508.db2.gz SFRQJHGDRFRUKC-GFCCVEGCSA-N 2 2 206.333 2.173 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423229075 388014726 /nfs/dbraw/zinc/01/47/26/388014726.db2.gz AFIZYQBIBXPUMG-RYUDHWBXSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)cc(F)c1 ZINC000423229244 388015350 /nfs/dbraw/zinc/01/53/50/388015350.db2.gz ALBXAXKNLYPXQL-TVQRCGJNSA-N 2 2 240.297 2.367 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423243393 388025878 /nfs/dbraw/zinc/02/58/78/388025878.db2.gz WHLBKQQYYDYYKZ-YVLXSGLVSA-N 2 2 248.345 2.401 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423235426 388019575 /nfs/dbraw/zinc/01/95/75/388019575.db2.gz AWVCGEUABSMGJE-CQSZACIVSA-N 2 2 233.359 2.133 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237593 388020171 /nfs/dbraw/zinc/02/01/71/388020171.db2.gz PZHFFRPMUIGFLR-AAEUAGOBSA-N 2 2 233.359 2.047 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423235789 388020272 /nfs/dbraw/zinc/02/02/72/388020272.db2.gz BGABMXBSWZTZRI-ZIAGYGMSSA-N 2 2 248.370 2.042 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C)c1cccc(C)c1 ZINC000423237390 388020379 /nfs/dbraw/zinc/02/03/79/388020379.db2.gz DDMCOXDRYHBVHZ-CYBMUJFWSA-N 2 2 206.333 2.255 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423235849 388020613 /nfs/dbraw/zinc/02/06/13/388020613.db2.gz BLLOLEVVNDNBPY-ONGXEEELSA-N 2 2 224.373 2.496 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237595 388020953 /nfs/dbraw/zinc/02/09/53/388020953.db2.gz PZHFFRPMUIGFLR-WCQYABFASA-N 2 2 233.359 2.047 20 0 BEADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237181 388021224 /nfs/dbraw/zinc/02/12/24/388021224.db2.gz PLWGVBNKRCAESR-QEJZJMRPSA-N 2 2 248.370 2.104 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000423243244 388026163 /nfs/dbraw/zinc/02/61/63/388026163.db2.gz JVIUBTMKCSFBDD-ZDUSSCGKSA-N 2 2 224.323 2.476 20 0 BEADLP c1cncc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)c1 ZINC000423239584 388023063 /nfs/dbraw/zinc/02/30/63/388023063.db2.gz SHQZFLHBKXMQDA-HUUCEWRRSA-N 2 2 245.370 2.264 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2sccc21 ZINC000423242304 388026188 /nfs/dbraw/zinc/02/61/88/388026188.db2.gz JCOUJYWZLANABE-LLVKDONJSA-N 2 2 224.373 2.325 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1(C)CC1 ZINC000423252289 388034128 /nfs/dbraw/zinc/03/41/28/388034128.db2.gz XIWGCYVXVZIAJJ-YPMHNXCESA-N 2 2 218.344 2.465 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423253486 388035390 /nfs/dbraw/zinc/03/53/90/388035390.db2.gz ZEQDINPGZJQDMM-AWEZNQCLSA-N 2 2 236.359 2.345 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000423253724 388035467 /nfs/dbraw/zinc/03/54/67/388035467.db2.gz ZKMPVRQNVIHCEY-SECBINFHSA-N 2 2 241.404 2.274 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)oc1C ZINC000423265518 388043636 /nfs/dbraw/zinc/04/36/36/388043636.db2.gz BCIXLXFAFIBFLS-JOYOIKCWSA-N 2 2 222.332 2.284 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000423244871 388027909 /nfs/dbraw/zinc/02/79/09/388027909.db2.gz OFGPCIUMVXJZQQ-DOMZBBRYSA-N 2 2 248.370 2.091 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000423246971 388030206 /nfs/dbraw/zinc/03/02/06/388030206.db2.gz OHVCJAPPHGABHW-JTQLQIEISA-N 2 2 210.296 2.086 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423249138 388031198 /nfs/dbraw/zinc/03/11/98/388031198.db2.gz RNQGQKVXRFYOBZ-AWEZNQCLSA-N 2 2 236.334 2.402 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1C[C@H]1C ZINC000423250248 388031611 /nfs/dbraw/zinc/03/16/11/388031611.db2.gz QATDTXPXEXIFRH-RFHZTLPTSA-N 2 2 218.344 2.321 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423273050 388052849 /nfs/dbraw/zinc/05/28/49/388052849.db2.gz KFUMAEGUUPYKIQ-AAEUAGOBSA-N 2 2 235.375 2.278 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)o1 ZINC000423278116 388059924 /nfs/dbraw/zinc/05/99/24/388059924.db2.gz PLAAYIKRPMAQFA-ZANVPECISA-N 2 2 222.332 2.284 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000423279250 388060120 /nfs/dbraw/zinc/06/01/20/388060120.db2.gz RXYRCTISQIHPEB-JQWIXIFHSA-N 2 2 224.348 2.476 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423278862 388060659 /nfs/dbraw/zinc/06/06/59/388060659.db2.gz REOBADHEEBWLIB-GXFFZTMASA-N 2 2 222.332 2.026 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423282481 388065221 /nfs/dbraw/zinc/06/52/21/388065221.db2.gz VDHVQCBLRGAFCU-RISCZKNCSA-N 2 2 248.370 2.473 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000423286659 388071844 /nfs/dbraw/zinc/07/18/44/388071844.db2.gz IAFDWDVIVQGJIY-SNVBAGLBSA-N 2 2 239.338 2.389 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402066 388073143 /nfs/dbraw/zinc/07/31/43/388073143.db2.gz PLVZCAVXFHSTIY-JSGCOSHPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402066 388073146 /nfs/dbraw/zinc/07/31/46/388073146.db2.gz PLVZCAVXFHSTIY-JSGCOSHPSA-N 2 2 236.403 2.497 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccco1 ZINC000423289922 388073959 /nfs/dbraw/zinc/07/39/59/388073959.db2.gz YMHFOFBJQZKCBN-JTQLQIEISA-N 2 2 210.321 2.448 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])oc1C ZINC000423289358 388074612 /nfs/dbraw/zinc/07/46/12/388074612.db2.gz WYLLQUTWYNFNOD-VIFPVBQESA-N 2 2 210.321 2.284 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccnc1 ZINC000423295842 388078930 /nfs/dbraw/zinc/07/89/30/388078930.db2.gz FVTMJIMLIFLYCA-WCQYABFASA-N 2 2 221.348 2.250 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000084574597 388080086 /nfs/dbraw/zinc/08/00/86/388080086.db2.gz XAMWLXRQEOYCOR-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP COc1c(C)cc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000084574597 388080088 /nfs/dbraw/zinc/08/00/88/388080088.db2.gz XAMWLXRQEOYCOR-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000447592001 388080898 /nfs/dbraw/zinc/08/08/98/388080898.db2.gz JPVJGHBZTWEZLO-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000447592001 388080899 /nfs/dbraw/zinc/08/08/99/388080899.db2.gz JPVJGHBZTWEZLO-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000084946459 388081309 /nfs/dbraw/zinc/08/13/09/388081309.db2.gz IYDSXCFCPTYEKO-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000084946459 388081311 /nfs/dbraw/zinc/08/13/11/388081311.db2.gz IYDSXCFCPTYEKO-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453432750 388082387 /nfs/dbraw/zinc/08/23/87/388082387.db2.gz SGAKMQJZWPKWLO-JQWIXIFHSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H](C)C1 ZINC000453432750 388082388 /nfs/dbraw/zinc/08/23/88/388082388.db2.gz SGAKMQJZWPKWLO-JQWIXIFHSA-N 2 2 246.345 2.352 20 0 BEADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)C1(C)C ZINC000085398332 388087571 /nfs/dbraw/zinc/08/75/71/388087571.db2.gz SSAYSBMBPPRAPI-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1(C)C ZINC000085398332 388087574 /nfs/dbraw/zinc/08/75/74/388087574.db2.gz SSAYSBMBPPRAPI-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453622945 388094419 /nfs/dbraw/zinc/09/44/19/388094419.db2.gz BANIYTSANNZFQI-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP CC[C@H]1C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)CCO1 ZINC000453624208 388094682 /nfs/dbraw/zinc/09/46/82/388094682.db2.gz PRFDQQZIAVKLPL-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086725321 388107965 /nfs/dbraw/zinc/10/79/65/388107965.db2.gz ZGIBSIVMHHFKGV-JSGCOSHPSA-N 2 2 216.328 2.016 20 0 BEADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1OC ZINC000423267588 388046490 /nfs/dbraw/zinc/04/64/90/388046490.db2.gz CTUIJIYEYGQRCP-KBPBESRZSA-N 2 2 248.370 2.473 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(O)c1 ZINC000423268960 388047677 /nfs/dbraw/zinc/04/76/77/388047677.db2.gz VJQDCZICSRWJJB-YPMHNXCESA-N 2 2 236.359 2.416 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccn1 ZINC000423270240 388048924 /nfs/dbraw/zinc/04/89/24/388048924.db2.gz HXOWKOWKQBXLJK-OLZOCXBDSA-N 2 2 235.375 2.496 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2occc21 ZINC000423270668 388050077 /nfs/dbraw/zinc/05/00/77/388050077.db2.gz IIUGXNASPBGAMX-VXGBXAGGSA-N 2 2 222.332 2.230 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423271396 388050780 /nfs/dbraw/zinc/05/07/80/388050780.db2.gz HIVRMUAUEAWXOE-PRHODGIISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC[NH+]1CCCCC1 ZINC000449222043 388159322 /nfs/dbraw/zinc/15/93/22/388159322.db2.gz VIFKVEAPTMVSPO-CYBMUJFWSA-N 2 2 236.359 2.286 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449338534 388176133 /nfs/dbraw/zinc/17/61/33/388176133.db2.gz SHGHUSXTTTVMNZ-PWSUYJOCSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449338534 388176135 /nfs/dbraw/zinc/17/61/35/388176135.db2.gz SHGHUSXTTTVMNZ-PWSUYJOCSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000488474398 388182248 /nfs/dbraw/zinc/18/22/48/388182248.db2.gz ZMTJATRHQHTEME-KBMXLJTQSA-N 2 2 246.398 2.405 20 0 BEADLP COCC1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000449062744 388137751 /nfs/dbraw/zinc/13/77/51/388137751.db2.gz KIAIOYUPZLCVJO-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000449077651 388139595 /nfs/dbraw/zinc/13/95/95/388139595.db2.gz SIYXSRIZIYAVEY-RYUDHWBXSA-N 2 2 233.315 2.085 20 0 BEADLP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000449103169 388142951 /nfs/dbraw/zinc/14/29/51/388142951.db2.gz OXZLRGTUHWLSNZ-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C)ccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000449103169 388142953 /nfs/dbraw/zinc/14/29/53/388142953.db2.gz OXZLRGTUHWLSNZ-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccoc1)C1CC1 ZINC000449111198 388143964 /nfs/dbraw/zinc/14/39/64/388143964.db2.gz JVQRPIMRYDIGND-LBPRGKRZSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccoc1)C1CC1 ZINC000449111198 388143965 /nfs/dbraw/zinc/14/39/65/388143965.db2.gz JVQRPIMRYDIGND-LBPRGKRZSA-N 2 2 236.359 2.285 20 0 BEADLP COCC1CCC([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000449110156 388144005 /nfs/dbraw/zinc/14/40/05/388144005.db2.gz BDBPWPCCYGLBPF-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP COCC1CCC([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000449110156 388144008 /nfs/dbraw/zinc/14/40/08/388144008.db2.gz BDBPWPCCYGLBPF-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CCCCC2)CCC1 ZINC000165144686 388250924 /nfs/dbraw/zinc/25/09/24/388250924.db2.gz YZPFJKOXJOETPB-UHFFFAOYSA-N 2 2 210.365 2.393 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165144552 388250935 /nfs/dbraw/zinc/25/09/35/388250935.db2.gz USFUYDGEGNVNLD-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@@H](C)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000165138931 388251404 /nfs/dbraw/zinc/25/14/04/388251404.db2.gz WOACCBYDTTYYFG-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394297 388192781 /nfs/dbraw/zinc/19/27/81/388192781.db2.gz NOTJEGDOJVPLMP-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394297 388192784 /nfs/dbraw/zinc/19/27/84/388192784.db2.gz NOTJEGDOJVPLMP-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@@H](C)O ZINC000449540146 388227227 /nfs/dbraw/zinc/22/72/27/388227227.db2.gz IZFUQNCCODFMPV-OCCSQVGLSA-N 2 2 236.359 2.072 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)[NH+](C)C ZINC000449557780 388232102 /nfs/dbraw/zinc/23/21/02/388232102.db2.gz TZLSQXWXOVWFIB-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP CCC[C@H]([NH2+]CC[NH+](C)C)C(C)(C)C ZINC000451426088 388271695 /nfs/dbraw/zinc/27/16/95/388271695.db2.gz VSFXKDZWJYANTA-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000572872619 388383358 /nfs/dbraw/zinc/38/33/58/388383358.db2.gz GNTIUIQIRGTHIG-AWEZNQCLSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000572872619 388383359 /nfs/dbraw/zinc/38/33/59/388383359.db2.gz GNTIUIQIRGTHIG-AWEZNQCLSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1sccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000293460246 388388933 /nfs/dbraw/zinc/38/89/33/388388933.db2.gz DCCRFYJLCYZYPK-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1sccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000293460246 388388936 /nfs/dbraw/zinc/38/89/36/388388936.db2.gz DCCRFYJLCYZYPK-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C[C@@]1(C)CCCS1 ZINC000328040460 388398920 /nfs/dbraw/zinc/39/89/20/388398920.db2.gz NQBDCIAOTNAJDZ-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@]1(C)CCCS1 ZINC000328040460 388398922 /nfs/dbraw/zinc/39/89/22/388398922.db2.gz NQBDCIAOTNAJDZ-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000308606200 388445233 /nfs/dbraw/zinc/44/52/33/388445233.db2.gz CBNZINCQBBKVAK-LBPRGKRZSA-N 2 2 210.365 2.273 20 0 BEADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](C2CC2)CC1 ZINC000515433615 256746146 /nfs/dbraw/zinc/74/61/46/256746146.db2.gz VRAQFASWWJHUFX-UHFFFAOYSA-N 2 2 246.358 2.132 20 0 BEADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCC2(C)C)CCSC1 ZINC000336674632 388462309 /nfs/dbraw/zinc/46/23/09/388462309.db2.gz AWXLNJYFMBWHDA-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295616886 388412618 /nfs/dbraw/zinc/41/26/18/388412618.db2.gz GQFONGQTLMVICN-SGMGOOAPSA-N 2 2 234.343 2.088 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000328535083 388418135 /nfs/dbraw/zinc/41/81/35/388418135.db2.gz ZWTIYYDVCQIWCA-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000328535083 388418137 /nfs/dbraw/zinc/41/81/37/388418137.db2.gz ZWTIYYDVCQIWCA-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000397561551 388479320 /nfs/dbraw/zinc/47/93/20/388479320.db2.gz AVVMUYKHQGXXDT-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000397561551 388479323 /nfs/dbraw/zinc/47/93/23/388479323.db2.gz AVVMUYKHQGXXDT-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC1 ZINC000322298962 388430821 /nfs/dbraw/zinc/43/08/21/388430821.db2.gz AOYRPKNKOUWWPA-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000520837666 388537533 /nfs/dbraw/zinc/53/75/33/388537533.db2.gz CZMJWEXKFLRONT-UHFFFAOYSA-N 2 2 243.354 2.350 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2C)n1C ZINC000520839946 388543975 /nfs/dbraw/zinc/54/39/75/388543975.db2.gz XZGZZTVWDVNRDO-GXFFZTMASA-N 2 2 221.348 2.397 20 0 BEADLP CCC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000356333492 388547766 /nfs/dbraw/zinc/54/77/66/388547766.db2.gz LETYYIAMTXRHJY-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000356333492 388547768 /nfs/dbraw/zinc/54/77/68/388547768.db2.gz LETYYIAMTXRHJY-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000356334038 388548342 /nfs/dbraw/zinc/54/83/42/388548342.db2.gz LETYYIAMTXRHJY-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000356334038 388548343 /nfs/dbraw/zinc/54/83/43/388548343.db2.gz LETYYIAMTXRHJY-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000397794362 388499429 /nfs/dbraw/zinc/49/94/29/388499429.db2.gz BANJCQABDSOXBH-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397867411 388507444 /nfs/dbraw/zinc/50/74/44/388507444.db2.gz AMJAVJILXSKAEQ-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397984838 388513804 /nfs/dbraw/zinc/51/38/04/388513804.db2.gz MBADFFGHOQCZSQ-LBPRGKRZSA-N 2 2 236.359 2.285 20 0 BEADLP CCc1ccc(C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000398001967 388514814 /nfs/dbraw/zinc/51/48/14/388514814.db2.gz TVUGIIPLDSEXLB-UHFFFAOYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000564342695 388518342 /nfs/dbraw/zinc/51/83/42/388518342.db2.gz GZYJOZVYHQOZGV-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000564342695 388518347 /nfs/dbraw/zinc/51/83/47/388518347.db2.gz GZYJOZVYHQOZGV-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP CCc1cnc(C[N@H+](C)CC(C)(C)C[NH3+])s1 ZINC000346670670 388520372 /nfs/dbraw/zinc/52/03/72/388520372.db2.gz GSVLSRRQTRDRPY-UHFFFAOYSA-N 2 2 241.404 2.122 20 0 BEADLP CCc1cnc(C[N@@H+](C)CC(C)(C)C[NH3+])s1 ZINC000346670670 388520375 /nfs/dbraw/zinc/52/03/75/388520375.db2.gz GSVLSRRQTRDRPY-UHFFFAOYSA-N 2 2 241.404 2.122 20 0 BEADLP CCCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000516957834 388528961 /nfs/dbraw/zinc/52/89/61/388528961.db2.gz NUGKBNNCWLXLIC-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)[NH+](C)C ZINC000081636824 388587512 /nfs/dbraw/zinc/58/75/12/388587512.db2.gz AKUZKVMUHNULSH-FPMFFAJLSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000379276618 388604413 /nfs/dbraw/zinc/60/44/13/388604413.db2.gz ZZWROQGVFAZDQG-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000379276618 388604415 /nfs/dbraw/zinc/60/44/15/388604415.db2.gz ZZWROQGVFAZDQG-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000184302823 388575746 /nfs/dbraw/zinc/57/57/46/388575746.db2.gz DDZJNWRVHPHAEK-JSGCOSHPSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000184302823 388575748 /nfs/dbraw/zinc/57/57/48/388575748.db2.gz DDZJNWRVHPHAEK-JSGCOSHPSA-N 2 2 233.359 2.135 20 0 BEADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cccc[nH+]1 ZINC000521987652 388672552 /nfs/dbraw/zinc/67/25/52/388672552.db2.gz CLZCOWJJHSIWJC-UYVFGJEYSA-N 2 2 217.316 2.009 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248054374 388672735 /nfs/dbraw/zinc/67/27/35/388672735.db2.gz WXODSHQMYZQOQQ-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248054374 388672736 /nfs/dbraw/zinc/67/27/36/388672736.db2.gz WXODSHQMYZQOQQ-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000248120243 388674527 /nfs/dbraw/zinc/67/45/27/388674527.db2.gz NGSGKWJZYLBGOK-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)C ZINC000248120243 388674529 /nfs/dbraw/zinc/67/45/29/388674529.db2.gz NGSGKWJZYLBGOK-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176717 388620433 /nfs/dbraw/zinc/62/04/33/388620433.db2.gz GBKOPTHASZAVKK-GFCCVEGCSA-N 2 2 236.384 2.431 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154515291 388625646 /nfs/dbraw/zinc/62/56/46/388625646.db2.gz FLGDCWFQDWPZMZ-WCQYABFASA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154515291 388625649 /nfs/dbraw/zinc/62/56/49/388625649.db2.gz FLGDCWFQDWPZMZ-WCQYABFASA-N 2 2 238.400 2.363 20 0 BEADLP c1cn(C2CC[NH+](CC[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000189521086 388636176 /nfs/dbraw/zinc/63/61/76/388636176.db2.gz AXQBVJNHCQRKSX-AWEZNQCLSA-N 2 2 249.358 2.089 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000328360644 388641716 /nfs/dbraw/zinc/64/17/16/388641716.db2.gz PUZPGJGVKJZCBG-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000328360644 388641717 /nfs/dbraw/zinc/64/17/17/388641717.db2.gz PUZPGJGVKJZCBG-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000247045584 388656162 /nfs/dbraw/zinc/65/61/62/388656162.db2.gz MYETYJJHPXGWDF-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000247045584 388656164 /nfs/dbraw/zinc/65/61/64/388656164.db2.gz MYETYJJHPXGWDF-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CCOC1)[C@H](c1ccccc1)[NH+](C)C ZINC000248654402 388688530 /nfs/dbraw/zinc/68/85/30/388688530.db2.gz ZPAJOVRMDCUSJS-AEGPPILISA-N 2 2 248.370 2.056 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@H]1C[C@H]1C ZINC000322207092 388796845 /nfs/dbraw/zinc/79/68/45/388796845.db2.gz SNGQIXXUINETIA-XZUYRWCXSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@H]1C[C@H]1C ZINC000322207092 388796849 /nfs/dbraw/zinc/79/68/49/388796849.db2.gz SNGQIXXUINETIA-XZUYRWCXSA-N 2 2 210.365 2.103 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000554095541 388799209 /nfs/dbraw/zinc/79/92/09/388799209.db2.gz PYXCTYOTAIOFCE-DGCLKSJQSA-N 2 2 233.359 2.498 20 0 BEADLP c1cn(CCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000554349044 388810776 /nfs/dbraw/zinc/81/07/76/388810776.db2.gz GQNHCMUERHJPEC-ZIAGYGMSSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000250124009 388785087 /nfs/dbraw/zinc/78/50/87/388785087.db2.gz JQGSLULKYYFEEN-ITGUQSILSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000129724308 388868353 /nfs/dbraw/zinc/86/83/53/388868353.db2.gz VJWXMTKHZFCDMX-ZWNOBZJWSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000129724308 388868357 /nfs/dbraw/zinc/86/83/57/388868357.db2.gz VJWXMTKHZFCDMX-ZWNOBZJWSA-N 2 2 234.387 2.390 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C(C)C)C1CC1 ZINC000152850943 388888307 /nfs/dbraw/zinc/88/83/07/388888307.db2.gz VNNXKZDNNPUIFN-CYBMUJFWSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccoc1 ZINC000564828085 388890148 /nfs/dbraw/zinc/89/01/48/388890148.db2.gz YXRFASREDTVWGM-ZWNOBZJWSA-N 2 2 222.332 2.448 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccoc1 ZINC000564828084 388891835 /nfs/dbraw/zinc/89/18/35/388891835.db2.gz YXRFASREDTVWGM-MFKMUULPSA-N 2 2 222.332 2.448 20 0 BEADLP Cc1[nH+]cc(CNc2ccc(C)[nH+]c2C)n1C ZINC000565234192 388929389 /nfs/dbraw/zinc/92/93/89/388929389.db2.gz RLXPABMCZIOVHC-UHFFFAOYSA-N 2 2 230.315 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCSCC(C)C)n1C ZINC000565610093 388959226 /nfs/dbraw/zinc/95/92/26/388959226.db2.gz NZSGEENWBOTWPT-UHFFFAOYSA-N 2 2 241.404 2.207 20 0 BEADLP COCC1([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000565684373 388962295 /nfs/dbraw/zinc/96/22/95/388962295.db2.gz QOTNBYGCXNRMTI-UHFFFAOYSA-N 2 2 234.343 2.091 20 0 BEADLP c1cn(CCCSCC2CC[NH2+]CC2)c[nH+]1 ZINC000565360826 388939234 /nfs/dbraw/zinc/93/92/34/388939234.db2.gz AZNZDVNNWMFTDR-UHFFFAOYSA-N 2 2 239.388 2.006 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC(C)(C)C1 ZINC000565431520 388944285 /nfs/dbraw/zinc/94/42/85/388944285.db2.gz UZDBWINBSRWUPC-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC(C)(C)C1 ZINC000565431520 388944289 /nfs/dbraw/zinc/94/42/89/388944289.db2.gz UZDBWINBSRWUPC-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000565873680 388975289 /nfs/dbraw/zinc/97/52/89/388975289.db2.gz RDFLNFUPEFVHIR-WDNDVIMCSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000565873680 388975292 /nfs/dbraw/zinc/97/52/92/388975292.db2.gz RDFLNFUPEFVHIR-WDNDVIMCSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000307728837 533457753 /nfs/dbraw/zinc/45/77/53/533457753.db2.gz GOTKHISGWFBZIV-OCCSQVGLSA-N 2 2 218.344 2.307 20 0 BEADLP Cc1cccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)[nH+]1 ZINC000274686597 132203530 /nfs/dbraw/zinc/20/35/30/132203530.db2.gz YOCUQPKUGPIQHV-LBPRGKRZSA-N 2 2 242.326 2.497 20 0 BEADLP Cc1cc(N2CCCC[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000044559410 132225250 /nfs/dbraw/zinc/22/52/50/132225250.db2.gz ZIFPJJWMUIREMP-LBPRGKRZSA-N 2 2 248.374 2.226 20 0 BEADLP c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000063201219 132241769 /nfs/dbraw/zinc/24/17/69/132241769.db2.gz LZUVNCIXEQVSAV-ZDUSSCGKSA-N 2 2 231.343 2.050 20 0 BEADLP CCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932242 132342946 /nfs/dbraw/zinc/34/29/46/132342946.db2.gz YZYKFKYTYOFIQU-UHFFFAOYSA-N 2 2 233.359 2.440 20 0 BEADLP c1ccc(N2CCC([NH2+]CC3CC3)CC2)[nH+]c1 ZINC000036932237 132343073 /nfs/dbraw/zinc/34/30/73/132343073.db2.gz FAJGYMYCECMFSH-UHFFFAOYSA-N 2 2 231.343 2.050 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227186974 133539149 /nfs/dbraw/zinc/53/91/49/133539149.db2.gz PHDNCYGJXMRPRN-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227186974 133539150 /nfs/dbraw/zinc/53/91/50/133539150.db2.gz PHDNCYGJXMRPRN-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000336005013 134048579 /nfs/dbraw/zinc/04/85/79/134048579.db2.gz CMFCQAFLYNEHRI-LBPRGKRZSA-N 2 2 227.311 2.057 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000336005013 134048580 /nfs/dbraw/zinc/04/85/80/134048580.db2.gz CMFCQAFLYNEHRI-LBPRGKRZSA-N 2 2 227.311 2.057 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CCC[NH2+]CC2)cc1C ZINC000336051761 134065019 /nfs/dbraw/zinc/06/50/19/134065019.db2.gz SFTMWOHFTDHAFF-UHFFFAOYSA-N 2 2 248.370 2.107 20 0 BEADLP COc1c(C)cc(C[N@H+]2CCC[NH2+]CC2)cc1C ZINC000336051761 134065020 /nfs/dbraw/zinc/06/50/20/134065020.db2.gz SFTMWOHFTDHAFF-UHFFFAOYSA-N 2 2 248.370 2.107 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nccs1 ZINC000336103256 134084021 /nfs/dbraw/zinc/08/40/21/134084021.db2.gz UMWIHDGDJGADMH-ZJUUUORDSA-N 2 2 248.355 2.005 20 0 BEADLP Fc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336103718 134084216 /nfs/dbraw/zinc/08/42/16/134084216.db2.gz ZXSJSXCSFDUHDB-GFCCVEGCSA-N 2 2 245.301 2.127 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336103309 134084240 /nfs/dbraw/zinc/08/42/40/134084240.db2.gz ZOAMODUNCOZSMS-RYUDHWBXSA-N 2 2 233.359 2.366 20 0 BEADLP c1cn(CC[NH2+]Cc2ccc3occc3c2)c[nH+]1 ZINC000352257187 134119277 /nfs/dbraw/zinc/11/92/77/134119277.db2.gz RFXQXUMIXOQTJQ-UHFFFAOYSA-N 2 2 241.294 2.419 20 0 BEADLP Cc1cc(N[C@H](C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000168942605 134249009 /nfs/dbraw/zinc/24/90/09/134249009.db2.gz MHLUCALFTHXEAY-LLVKDONJSA-N 2 2 236.363 2.270 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000222024512 134329095 /nfs/dbraw/zinc/32/90/95/134329095.db2.gz UFBADWHWHMCKFV-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000222196255 134330424 /nfs/dbraw/zinc/33/04/24/134330424.db2.gz SNDAGCLAHSTWLC-UHFFFAOYSA-N 2 2 245.370 2.440 20 0 BEADLP Cc1oncc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181736490 134338485 /nfs/dbraw/zinc/33/84/85/134338485.db2.gz JPGWPMPNLRPXJE-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP CC(C)C[C@H](C[NH2+]C[C@H]1CCSC1)[NH+](C)C ZINC000224307781 134346002 /nfs/dbraw/zinc/34/60/02/134346002.db2.gz WSKJQQXTTRIFIC-CHWSQXEVSA-N 2 2 244.448 2.305 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000226174670 134359393 /nfs/dbraw/zinc/35/93/93/134359393.db2.gz NTOYHGUJQQWCQI-JFGNBEQYSA-N 2 2 207.321 2.324 20 0 BEADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227374849 134379233 /nfs/dbraw/zinc/37/92/33/134379233.db2.gz INFGCEQHCQIXNO-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227374849 134379234 /nfs/dbraw/zinc/37/92/34/134379234.db2.gz INFGCEQHCQIXNO-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP CCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000233277254 134561437 /nfs/dbraw/zinc/56/14/37/134561437.db2.gz DYIDPOSKUVWDCS-YPMHNXCESA-N 2 2 206.333 2.465 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000250061532 135048878 /nfs/dbraw/zinc/04/88/78/135048878.db2.gz PERBTEJGTXYEST-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000250061532 135048880 /nfs/dbraw/zinc/04/88/80/135048880.db2.gz PERBTEJGTXYEST-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000251565289 135071369 /nfs/dbraw/zinc/07/13/69/135071369.db2.gz AMFLGEJGUZEHID-AVGNSLFASA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000251565289 135071371 /nfs/dbraw/zinc/07/13/71/135071371.db2.gz AMFLGEJGUZEHID-AVGNSLFASA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000251741193 135077014 /nfs/dbraw/zinc/07/70/14/135077014.db2.gz CTYPADWWCIACKS-QNWHQSFQSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000251806261 135077923 /nfs/dbraw/zinc/07/79/23/135077923.db2.gz GNCMUZWSUWGTTG-LPWJVIDDSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000252148629 135085385 /nfs/dbraw/zinc/08/53/85/135085385.db2.gz OHLRYOKTRJBBFG-ITGUQSILSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000252164271 135085752 /nfs/dbraw/zinc/08/57/52/135085752.db2.gz QGHHQRVHDATIHB-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)[C@H]1C ZINC000252172497 135086160 /nfs/dbraw/zinc/08/61/60/135086160.db2.gz OGAHWHAYQTXYKC-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1csc(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)n1 ZINC000086495756 135087251 /nfs/dbraw/zinc/08/72/51/135087251.db2.gz PAKWKENKWHGEBD-ONGXEEELSA-N 2 2 239.388 2.072 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1F ZINC000261580126 135109960 /nfs/dbraw/zinc/10/99/60/135109960.db2.gz MRPYNBRKOUIEEA-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1F ZINC000261580126 135109962 /nfs/dbraw/zinc/10/99/62/135109962.db2.gz MRPYNBRKOUIEEA-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP c1ccc2cc(C[NH2+][C@H]3CC[NH2+]C3)ccc2c1 ZINC000259094860 135136873 /nfs/dbraw/zinc/13/68/73/135136873.db2.gz RWVNAZQOKWYSQN-HNNXBMFYSA-N 2 2 226.323 2.291 20 0 BEADLP c1cn(CC[NH2+]CCC2CCCCC2)c[nH+]1 ZINC000087473370 135142159 /nfs/dbraw/zinc/14/21/59/135142159.db2.gz MCSRYAYAGDGGJV-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000261545319 135142554 /nfs/dbraw/zinc/14/25/54/135142554.db2.gz FXPJGRODVDSDKM-QMMMGPOBSA-N 2 2 248.248 2.022 20 0 BEADLP Clc1ccsc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261531365 135159602 /nfs/dbraw/zinc/15/96/02/135159602.db2.gz GGCOFMYSOUQFPG-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1ccsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261531365 135159603 /nfs/dbraw/zinc/15/96/03/135159603.db2.gz GGCOFMYSOUQFPG-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1Cl ZINC000261532348 135162558 /nfs/dbraw/zinc/16/25/58/135162558.db2.gz AHDGKWWPWPJJQT-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1Cl ZINC000261532348 135162560 /nfs/dbraw/zinc/16/25/60/135162560.db2.gz AHDGKWWPWPJJQT-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP CC[C@H]1c2ccsc2CC[N@H+]1CC[NH3+] ZINC000261532625 135163239 /nfs/dbraw/zinc/16/32/39/135163239.db2.gz JZVHFVCCEBEAQN-JTQLQIEISA-N 2 2 210.346 2.016 20 0 BEADLP CC[C@H]1c2ccsc2CC[N@@H+]1CC[NH3+] ZINC000261532625 135163241 /nfs/dbraw/zinc/16/32/41/135163241.db2.gz JZVHFVCCEBEAQN-JTQLQIEISA-N 2 2 210.346 2.016 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000087771502 135167443 /nfs/dbraw/zinc/16/74/43/135167443.db2.gz MOSUSQVONNSUIA-VXGBXAGGSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000087771502 135167444 /nfs/dbraw/zinc/16/74/44/135167444.db2.gz MOSUSQVONNSUIA-VXGBXAGGSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1F)[C@H](C)[NH3+] ZINC000261534890 135168538 /nfs/dbraw/zinc/16/85/38/135168538.db2.gz NHVDWSVOHCFGGB-AEJSXWLSSA-N 2 2 210.296 2.212 20 0 BEADLP Cc1ncccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261541793 135181953 /nfs/dbraw/zinc/18/19/53/135181953.db2.gz BKYVYXSHVLRVES-FZMZJTMJSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ncccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261541793 135181955 /nfs/dbraw/zinc/18/19/55/135181955.db2.gz BKYVYXSHVLRVES-FZMZJTMJSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ncccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261541794 135182297 /nfs/dbraw/zinc/18/22/97/135182297.db2.gz BKYVYXSHVLRVES-RISCZKNCSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ncccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261541794 135182299 /nfs/dbraw/zinc/18/22/99/135182299.db2.gz BKYVYXSHVLRVES-RISCZKNCSA-N 2 2 233.359 2.092 20 0 BEADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261543296 135184116 /nfs/dbraw/zinc/18/41/16/135184116.db2.gz CTQWGARXPKESCG-GXTWGEPZSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261543296 135184117 /nfs/dbraw/zinc/18/41/17/135184117.db2.gz CTQWGARXPKESCG-GXTWGEPZSA-N 2 2 234.318 2.010 20 0 BEADLP COc1cccc([C@H](C)[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261544441 135185140 /nfs/dbraw/zinc/18/51/40/135185140.db2.gz YCVVVNPJYCZJLU-MJVIPROJSA-N 2 2 234.343 2.035 20 0 BEADLP COc1cccc([C@H](C)[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261544441 135185142 /nfs/dbraw/zinc/18/51/42/135185142.db2.gz YCVVVNPJYCZJLU-MJVIPROJSA-N 2 2 234.343 2.035 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544054 135185510 /nfs/dbraw/zinc/18/55/10/135185510.db2.gz DNVRPUTVNLAKCK-XHDPSFHLSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544054 135185512 /nfs/dbraw/zinc/18/55/12/135185512.db2.gz DNVRPUTVNLAKCK-XHDPSFHLSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000261558866 135199471 /nfs/dbraw/zinc/19/94/71/135199471.db2.gz SUIRFAXHGTYVFR-NHYWBVRUSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000261558866 135199472 /nfs/dbraw/zinc/19/94/72/135199472.db2.gz SUIRFAXHGTYVFR-NHYWBVRUSA-N 2 2 230.355 2.486 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562059 135203693 /nfs/dbraw/zinc/20/36/93/135203693.db2.gz VYZREHNXPKPQSN-TZMCWYRMSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562059 135203694 /nfs/dbraw/zinc/20/36/94/135203694.db2.gz VYZREHNXPKPQSN-TZMCWYRMSA-N 2 2 234.318 2.010 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1coc2ccccc12 ZINC000261563687 135205531 /nfs/dbraw/zinc/20/55/31/135205531.db2.gz XDIKNKOHFXWATR-MFKMUULPSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1coc2ccccc12 ZINC000261563687 135205532 /nfs/dbraw/zinc/20/55/32/135205532.db2.gz XDIKNKOHFXWATR-MFKMUULPSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000261566174 135208719 /nfs/dbraw/zinc/20/87/19/135208719.db2.gz YSHLUTDYJQVMQJ-MFKMUULPSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2o1 ZINC000261566174 135208721 /nfs/dbraw/zinc/20/87/21/135208721.db2.gz YSHLUTDYJQVMQJ-MFKMUULPSA-N 2 2 230.311 2.354 20 0 BEADLP COc1ccc([C@@H](C)[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261568113 135210028 /nfs/dbraw/zinc/21/00/28/135210028.db2.gz FINKKVILBBAHEC-WDEREUQCSA-N 2 2 222.332 2.035 20 0 BEADLP COc1ccc([C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261568113 135210030 /nfs/dbraw/zinc/21/00/30/135210030.db2.gz FINKKVILBBAHEC-WDEREUQCSA-N 2 2 222.332 2.035 20 0 BEADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC[NH3+])C1 ZINC000261599666 135237936 /nfs/dbraw/zinc/23/79/36/135237936.db2.gz ZWJSLRIBJDBDOU-GWCFXTLKSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[NH3+])C1 ZINC000261599666 135237937 /nfs/dbraw/zinc/23/79/37/135237937.db2.gz ZWJSLRIBJDBDOU-GWCFXTLKSA-N 2 2 222.307 2.167 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261546813 135239443 /nfs/dbraw/zinc/23/94/43/135239443.db2.gz LHAIVGPHZBVUJB-LBPRGKRZSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261546813 135239444 /nfs/dbraw/zinc/23/94/44/135239444.db2.gz LHAIVGPHZBVUJB-LBPRGKRZSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1[NH3+] ZINC000261956043 135266241 /nfs/dbraw/zinc/26/62/41/135266241.db2.gz GQVLQILHTSJAHP-ZANVPECISA-N 2 2 248.301 2.351 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@@H]1[NH3+] ZINC000261956043 135266243 /nfs/dbraw/zinc/26/62/43/135266243.db2.gz GQVLQILHTSJAHP-ZANVPECISA-N 2 2 248.301 2.351 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000262034394 135275018 /nfs/dbraw/zinc/27/50/18/135275018.db2.gz XOPCMEYOWYTJTB-LBPRGKRZSA-N 2 2 236.334 2.352 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000262034394 135275019 /nfs/dbraw/zinc/27/50/19/135275019.db2.gz XOPCMEYOWYTJTB-LBPRGKRZSA-N 2 2 236.334 2.352 20 0 BEADLP COc1c(C)cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000262041048 135275024 /nfs/dbraw/zinc/27/50/24/135275024.db2.gz PCSYOQKPOSPLLK-GXTWGEPZSA-N 2 2 248.370 2.091 20 0 BEADLP COc1c(C)cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000262041048 135275025 /nfs/dbraw/zinc/27/50/25/135275025.db2.gz PCSYOQKPOSPLLK-GXTWGEPZSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000262102543 135278580 /nfs/dbraw/zinc/27/85/80/135278580.db2.gz JBIKGGSJZZEHCO-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000262102543 135278582 /nfs/dbraw/zinc/27/85/82/135278582.db2.gz JBIKGGSJZZEHCO-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(F)ccc2Cl)CCC1 ZINC000262168410 135283547 /nfs/dbraw/zinc/28/35/47/135283547.db2.gz UQAXQRWPVZSOTK-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1F ZINC000334165533 135322896 /nfs/dbraw/zinc/32/28/96/135322896.db2.gz AGFYVSWAFULIMB-RISCZKNCSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1F ZINC000334165533 135322897 /nfs/dbraw/zinc/32/28/97/135322897.db2.gz AGFYVSWAFULIMB-RISCZKNCSA-N 2 2 236.334 2.174 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000342948005 135337566 /nfs/dbraw/zinc/33/75/66/135337566.db2.gz UTSUCKLFIHSRAX-ZFWWWQNUSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000342948005 135337567 /nfs/dbraw/zinc/33/75/67/135337567.db2.gz UTSUCKLFIHSRAX-ZFWWWQNUSA-N 2 2 232.371 2.159 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263223056 135340779 /nfs/dbraw/zinc/34/07/79/135340779.db2.gz MFNFTQPTASDGLX-SMDDNHRTSA-N 2 2 247.342 2.236 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000334304837 135348273 /nfs/dbraw/zinc/34/82/73/135348273.db2.gz DGVUTKARZOPTKE-LLVKDONJSA-N 2 2 219.332 2.090 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000334304837 135348275 /nfs/dbraw/zinc/34/82/75/135348275.db2.gz DGVUTKARZOPTKE-LLVKDONJSA-N 2 2 219.332 2.090 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343071520 135356138 /nfs/dbraw/zinc/35/61/38/135356138.db2.gz BJEXZVOZMAATBY-VNHYZAJKSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000343071520 135356139 /nfs/dbraw/zinc/35/61/39/135356139.db2.gz BJEXZVOZMAATBY-VNHYZAJKSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158826 135363822 /nfs/dbraw/zinc/36/38/22/135363822.db2.gz IZYXWVWPLFUHBG-DZGCQCFKSA-N 2 2 244.382 2.258 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158826 135363823 /nfs/dbraw/zinc/36/38/23/135363823.db2.gz IZYXWVWPLFUHBG-DZGCQCFKSA-N 2 2 244.382 2.258 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299919322 135382584 /nfs/dbraw/zinc/38/25/84/135382584.db2.gz LUXMIKZAIBOPAW-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299919322 135382585 /nfs/dbraw/zinc/38/25/85/135382585.db2.gz LUXMIKZAIBOPAW-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334395435 135386907 /nfs/dbraw/zinc/38/69/07/135386907.db2.gz BKPZSVZERJKSKQ-WDEREUQCSA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334395435 135386908 /nfs/dbraw/zinc/38/69/08/135386908.db2.gz BKPZSVZERJKSKQ-WDEREUQCSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CC2)C1)[NH+](C)C ZINC000081636825 135388366 /nfs/dbraw/zinc/38/83/66/135388366.db2.gz AKUZKVMUHNULSH-KWCYVHTRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000334405943 135394189 /nfs/dbraw/zinc/39/41/89/135394189.db2.gz HOJPAJTUFDPULV-WDEREUQCSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000334405943 135394191 /nfs/dbraw/zinc/39/41/91/135394191.db2.gz HOJPAJTUFDPULV-WDEREUQCSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000335283651 136001358 /nfs/dbraw/zinc/00/13/58/136001358.db2.gz FCSDLSLHZQSNJQ-QWRGUYRKSA-N 2 2 231.299 2.142 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000335283649 136001823 /nfs/dbraw/zinc/00/18/23/136001823.db2.gz FCSDLSLHZQSNJQ-GHMZBOCLSA-N 2 2 231.299 2.142 20 0 BEADLP Cc1cccn2c(C[NH2+][C@@H]3CC34CC4)c[nH+]c12 ZINC000335284389 136002044 /nfs/dbraw/zinc/00/20/44/136002044.db2.gz ABCCNZSUUUKBTP-GFCCVEGCSA-N 2 2 227.311 2.285 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000347877316 136016876 /nfs/dbraw/zinc/01/68/76/136016876.db2.gz ZBCNVSDOPNKNOB-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000347877316 136016877 /nfs/dbraw/zinc/01/68/77/136016877.db2.gz ZBCNVSDOPNKNOB-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(C)CCOC1 ZINC000347998452 136023931 /nfs/dbraw/zinc/02/39/31/136023931.db2.gz HTGKHXKVTCHLSW-HNNXBMFYSA-N 2 2 248.370 2.339 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000335326087 136051899 /nfs/dbraw/zinc/05/18/99/136051899.db2.gz VYAWZMAGMSGFAP-JTQLQIEISA-N 2 2 247.367 2.427 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000335326087 136051900 /nfs/dbraw/zinc/05/19/00/136051900.db2.gz VYAWZMAGMSGFAP-JTQLQIEISA-N 2 2 247.367 2.427 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000348258845 136057620 /nfs/dbraw/zinc/05/76/20/136057620.db2.gz KUWABEXVANOBSI-SNPRPXQTSA-N 2 2 232.371 2.330 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOCC1(C)C ZINC000348354861 136072201 /nfs/dbraw/zinc/07/22/01/136072201.db2.gz BHUUWNYMANTTPN-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOCC1(C)C ZINC000348354861 136072202 /nfs/dbraw/zinc/07/22/02/136072202.db2.gz BHUUWNYMANTTPN-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000348378645 136074146 /nfs/dbraw/zinc/07/41/46/136074146.db2.gz KAVURGSHGVYCKG-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000348378645 136074147 /nfs/dbraw/zinc/07/41/47/136074147.db2.gz KAVURGSHGVYCKG-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCC[C@@H]2O)c[nH+]1 ZINC000348555559 136096363 /nfs/dbraw/zinc/09/63/63/136096363.db2.gz NTOFFSZYHYZUQL-GJZGRUSLSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[C@@H]2O)c[nH+]1 ZINC000348555559 136096364 /nfs/dbraw/zinc/09/63/64/136096364.db2.gz NTOFFSZYHYZUQL-GJZGRUSLSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348554378 136096648 /nfs/dbraw/zinc/09/66/48/136096648.db2.gz LYFDPINRNJOPAU-CABCVRRESA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348554378 136096649 /nfs/dbraw/zinc/09/66/49/136096649.db2.gz LYFDPINRNJOPAU-CABCVRRESA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(F)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335554117 136098777 /nfs/dbraw/zinc/09/87/77/136098777.db2.gz DAYNZPYEAPWEQU-UHFFFAOYSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])nc1C ZINC000335594703 136104241 /nfs/dbraw/zinc/10/42/41/136104241.db2.gz LHBYBKOGZWWKKI-LSDHHAIUSA-N 2 2 247.386 2.448 20 0 BEADLP Fc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335562822 136106626 /nfs/dbraw/zinc/10/66/26/136106626.db2.gz WVMDRRGFWLQVOL-UHFFFAOYSA-N 2 2 234.318 2.154 20 0 BEADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000335568369 136108498 /nfs/dbraw/zinc/10/84/98/136108498.db2.gz KVKGYFPBIZUTAM-VIFPVBQESA-N 2 2 239.750 2.138 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCC[C@H](C)C1 ZINC000647540230 397782296 /nfs/dbraw/zinc/78/22/96/397782296.db2.gz CCAVDUCHUHAOAD-XUXIUFHCSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCC[C@H](C)C1 ZINC000647540230 397782300 /nfs/dbraw/zinc/78/23/00/397782300.db2.gz CCAVDUCHUHAOAD-XUXIUFHCSA-N 2 2 242.382 2.445 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000308913999 397842880 /nfs/dbraw/zinc/84/28/80/397842880.db2.gz AWFAROBQKGWLPU-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000308913999 397842885 /nfs/dbraw/zinc/84/28/85/397842885.db2.gz AWFAROBQKGWLPU-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000449555497 397956205 /nfs/dbraw/zinc/95/62/05/397956205.db2.gz HHHOAONDMDBUSF-SDDRHHMPSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537704 397918957 /nfs/dbraw/zinc/91/89/57/397918957.db2.gz OOVNTHLSDDXCEF-FQUUOJAGSA-N 2 2 242.382 2.491 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000643537749 397919310 /nfs/dbraw/zinc/91/93/10/397919310.db2.gz PTYHNUACWMVBBW-DCAQKATOSA-N 2 2 242.363 2.407 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000234054233 398015397 /nfs/dbraw/zinc/01/53/97/398015397.db2.gz WTRUFLKVLDMVES-KGLIPLIRSA-N 2 2 218.344 2.479 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000418114552 397981661 /nfs/dbraw/zinc/98/16/61/397981661.db2.gz MCRHQCAPVXSCFS-HUUCEWRRSA-N 2 2 244.382 2.474 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cc2)n1C ZINC000516585216 398080281 /nfs/dbraw/zinc/08/02/81/398080281.db2.gz LDEZYLUOMGPHSN-UHFFFAOYSA-N 2 2 229.327 2.327 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000648450096 398051833 /nfs/dbraw/zinc/05/18/33/398051833.db2.gz SWHOBRNZFHQSHL-DOMZBBRYSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450096 398051836 /nfs/dbraw/zinc/05/18/36/398051836.db2.gz SWHOBRNZFHQSHL-DOMZBBRYSA-N 2 2 248.370 2.285 20 0 BEADLP CC[C@@H]1OCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000459733544 398056369 /nfs/dbraw/zinc/05/63/69/398056369.db2.gz AWCPUFTUDXNYIH-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP CCc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000051724884 398058445 /nfs/dbraw/zinc/05/84/45/398058445.db2.gz YKXFQCLSHPFVOL-NSHDSACASA-N 2 2 224.348 2.272 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)o1 ZINC000051724208 398059062 /nfs/dbraw/zinc/05/90/62/398059062.db2.gz IOASZALVRYEQKK-GFCCVEGCSA-N 2 2 236.359 2.273 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)o1 ZINC000051724208 398059067 /nfs/dbraw/zinc/05/90/67/398059067.db2.gz IOASZALVRYEQKK-GFCCVEGCSA-N 2 2 236.359 2.273 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000424203867 487574982 /nfs/dbraw/zinc/57/49/82/487574982.db2.gz LHIVPAJDPDGXJE-ZSBIGDGJSA-N 2 2 227.311 2.222 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](COC)CC(C)C)C1 ZINC000658287976 487577916 /nfs/dbraw/zinc/57/79/16/487577916.db2.gz PSONJFKOXARABJ-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](COC)CC(C)C)C1 ZINC000658287976 487577922 /nfs/dbraw/zinc/57/79/22/487577922.db2.gz PSONJFKOXARABJ-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000086935488 487592982 /nfs/dbraw/zinc/59/29/82/487592982.db2.gz FPSZQZUMZIMBFD-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228140604 487592665 /nfs/dbraw/zinc/59/26/65/487592665.db2.gz GZSATMFJZSTXSY-KCQAQPDRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228140604 487592673 /nfs/dbraw/zinc/59/26/73/487592673.db2.gz GZSATMFJZSTXSY-KCQAQPDRSA-N 2 2 248.370 2.104 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232476507 487597075 /nfs/dbraw/zinc/59/70/75/487597075.db2.gz IFBRSTLUEFSVDU-AAEUAGOBSA-N 2 2 234.343 2.389 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000087015150 487597867 /nfs/dbraw/zinc/59/78/67/487597867.db2.gz HZSCADOMVIGJPL-CYBMUJFWSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000087015150 487597872 /nfs/dbraw/zinc/59/78/72/487597872.db2.gz HZSCADOMVIGJPL-CYBMUJFWSA-N 2 2 216.328 2.097 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1C ZINC000668271622 487599775 /nfs/dbraw/zinc/59/97/75/487599775.db2.gz KDVIBSADERMWRU-JSGCOSHPSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)n1C ZINC000668271622 487599779 /nfs/dbraw/zinc/59/97/79/487599779.db2.gz KDVIBSADERMWRU-JSGCOSHPSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]CCOC(C)C)n2c1 ZINC000680485926 487605371 /nfs/dbraw/zinc/60/53/71/487605371.db2.gz SMYBZQWJKJHXLC-UHFFFAOYSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C1(CCO)CCCC1 ZINC000660684332 409544546 /nfs/dbraw/zinc/54/45/46/409544546.db2.gz VGMOKXJMPQDEHI-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1cc2ccccc2o1 ZINC000662304759 409627984 /nfs/dbraw/zinc/62/79/84/409627984.db2.gz BLSYAQVKSQQUMK-UHFFFAOYSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1cc2ccccc2o1 ZINC000662304759 409627990 /nfs/dbraw/zinc/62/79/90/409627990.db2.gz BLSYAQVKSQQUMK-UHFFFAOYSA-N 2 2 242.322 2.356 20 0 BEADLP C[C@@H](c1ccccc1F)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304220 409628904 /nfs/dbraw/zinc/62/89/04/409628904.db2.gz NILKBXDHQKRTGN-IFQILLTASA-N 2 2 234.318 2.310 20 0 BEADLP C[C@@H](c1ccccc1F)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304220 409628913 /nfs/dbraw/zinc/62/89/13/409628913.db2.gz NILKBXDHQKRTGN-IFQILLTASA-N 2 2 234.318 2.310 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CCCc2ccsc2)CC[C@H]1F ZINC000662326528 409640800 /nfs/dbraw/zinc/64/08/00/409640800.db2.gz VKOWUAVHEIVJHT-VXGBXAGGSA-N 2 2 242.363 2.052 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1F ZINC000662326528 409640806 /nfs/dbraw/zinc/64/08/06/409640806.db2.gz VKOWUAVHEIVJHT-VXGBXAGGSA-N 2 2 242.363 2.052 20 0 BEADLP CCc1cc[nH+]cc1NC1CC[NH+](C)CC1 ZINC000651979320 410112830 /nfs/dbraw/zinc/11/28/30/410112830.db2.gz JFRRWQKISAXULI-UHFFFAOYSA-N 2 2 219.332 2.150 20 0 BEADLP c1cc2c(c(C[NH2+]C[C@H]3CCC[NH2+]3)c1)CCC2 ZINC000650703538 410332885 /nfs/dbraw/zinc/33/28/85/410332885.db2.gz FQDFUAGNXWKCOW-CQSZACIVSA-N 2 2 230.355 2.017 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650704113 410335985 /nfs/dbraw/zinc/33/59/85/410335985.db2.gz IIMIQUBTSKQSKK-HNNXBMFYSA-N 2 2 244.382 2.405 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1CNc2ccccc2C1 ZINC000650714818 410346958 /nfs/dbraw/zinc/34/69/58/410346958.db2.gz DQBHLIYOKYNFLL-CYBMUJFWSA-N 2 2 247.386 2.001 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650714819 410348667 /nfs/dbraw/zinc/34/86/67/410348667.db2.gz DQBHLIYOKYNFLL-ZDUSSCGKSA-N 2 2 247.386 2.001 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000650720711 410360789 /nfs/dbraw/zinc/36/07/89/410360789.db2.gz ZENQAOVXMRFHND-QWHCGFSZSA-N 2 2 240.391 2.003 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000650720711 410360798 /nfs/dbraw/zinc/36/07/98/410360798.db2.gz ZENQAOVXMRFHND-QWHCGFSZSA-N 2 2 240.391 2.003 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000075183347 487616354 /nfs/dbraw/zinc/61/63/54/487616354.db2.gz FTOIAUSLRAPVNQ-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000075183347 487616361 /nfs/dbraw/zinc/61/63/61/487616361.db2.gz FTOIAUSLRAPVNQ-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000665294152 410783036 /nfs/dbraw/zinc/78/30/36/410783036.db2.gz JFSOTHBTQDMQIZ-KOLCDFICSA-N 2 2 224.373 2.323 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000665296586 410809673 /nfs/dbraw/zinc/80/96/73/410809673.db2.gz VATYMPRGLHPBPJ-SMDDNHRTSA-N 2 2 218.344 2.335 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000651179487 410849387 /nfs/dbraw/zinc/84/93/87/410849387.db2.gz URQQFJRXENGEDZ-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000665297772 410818578 /nfs/dbraw/zinc/81/85/78/410818578.db2.gz LJVPJURXHBQLFF-SUNKGSAMSA-N 2 2 218.344 2.432 20 0 BEADLP CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347045782 167304582 /nfs/dbraw/zinc/30/45/82/167304582.db2.gz OGBSZFSICVMAKK-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000347045782 167304586 /nfs/dbraw/zinc/30/45/86/167304586.db2.gz OGBSZFSICVMAKK-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CO[C@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)C1(C)C ZINC000397542095 410926040 /nfs/dbraw/zinc/92/60/40/410926040.db2.gz VOHKYCJHWCNOSF-KBPBESRZSA-N 2 2 248.370 2.336 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000163869898 487620251 /nfs/dbraw/zinc/62/02/51/487620251.db2.gz LILAMJXMVAZYOE-RYUDHWBXSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000163869898 487620252 /nfs/dbraw/zinc/62/02/52/487620252.db2.gz LILAMJXMVAZYOE-RYUDHWBXSA-N 2 2 231.343 2.427 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000651685271 411136047 /nfs/dbraw/zinc/13/60/47/411136047.db2.gz PAOSRJUYBRSPLZ-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000651685271 411136048 /nfs/dbraw/zinc/13/60/48/411136048.db2.gz PAOSRJUYBRSPLZ-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000651731994 411139688 /nfs/dbraw/zinc/13/96/88/411139688.db2.gz FWEWAVBHXYMKIZ-SWLSCSKDSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000651731994 411139689 /nfs/dbraw/zinc/13/96/89/411139689.db2.gz FWEWAVBHXYMKIZ-SWLSCSKDSA-N 2 2 232.371 2.289 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCCC[C@H]1C)[NH+](C)C ZINC000651751903 411141717 /nfs/dbraw/zinc/14/17/17/411141717.db2.gz MEVSKIHYVIXUEU-FRRDWIJNSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657898866 411159708 /nfs/dbraw/zinc/15/97/08/411159708.db2.gz GMQJILABROGVTP-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657898866 411159711 /nfs/dbraw/zinc/15/97/11/411159711.db2.gz GMQJILABROGVTP-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093529 411243192 /nfs/dbraw/zinc/24/31/92/411243192.db2.gz VLEDWEFWXRRCDO-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093529 411243194 /nfs/dbraw/zinc/24/31/94/411243194.db2.gz VLEDWEFWXRRCDO-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1noc(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123687303 411182404 /nfs/dbraw/zinc/18/24/04/411182404.db2.gz NUMMYWPVNFJPOB-ZDUSSCGKSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1noc(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123687303 411182405 /nfs/dbraw/zinc/18/24/05/411182405.db2.gz NUMMYWPVNFJPOB-ZDUSSCGKSA-N 2 2 239.363 2.097 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000658094708 411243516 /nfs/dbraw/zinc/24/35/16/411243516.db2.gz AKQFNJPRCGYOOC-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000658094708 411243521 /nfs/dbraw/zinc/24/35/21/411243521.db2.gz AKQFNJPRCGYOOC-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000309623087 411188118 /nfs/dbraw/zinc/18/81/18/411188118.db2.gz IAZUUCGCXXPKBE-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000309623087 411188120 /nfs/dbraw/zinc/18/81/20/411188120.db2.gz IAZUUCGCXXPKBE-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP Cc1c[nH+]c(C)nc1NCC[N@H+]1CC=C(C)CC1 ZINC000656160491 411190735 /nfs/dbraw/zinc/19/07/35/411190735.db2.gz ADSIECZNJVEYKM-UHFFFAOYSA-N 2 2 246.358 2.157 20 0 BEADLP Cc1c[nH+]c(C)nc1NCC[N@@H+]1CC=C(C)CC1 ZINC000656160491 411190737 /nfs/dbraw/zinc/19/07/37/411190737.db2.gz ADSIECZNJVEYKM-UHFFFAOYSA-N 2 2 246.358 2.157 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000658097185 411244373 /nfs/dbraw/zinc/24/43/73/411244373.db2.gz VRGMNRRMJMPZEH-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000658097185 411244377 /nfs/dbraw/zinc/24/43/77/411244377.db2.gz VRGMNRRMJMPZEH-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000656189122 411197410 /nfs/dbraw/zinc/19/74/10/411197410.db2.gz XRAMLGRYFYEHML-NSHDSACASA-N 2 2 236.363 2.234 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000656189122 411197411 /nfs/dbraw/zinc/19/74/11/411197411.db2.gz XRAMLGRYFYEHML-NSHDSACASA-N 2 2 236.363 2.234 20 0 BEADLP COCc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000652330234 411202794 /nfs/dbraw/zinc/20/27/94/411202794.db2.gz AAYJPZCDMXZFDU-AAEUAGOBSA-N 2 2 249.358 2.123 20 0 BEADLP COCc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000652330234 411202799 /nfs/dbraw/zinc/20/27/99/411202799.db2.gz AAYJPZCDMXZFDU-AAEUAGOBSA-N 2 2 249.358 2.123 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000656200268 411204586 /nfs/dbraw/zinc/20/45/86/411204586.db2.gz KPPPVYMSJIIUMY-FZMZJTMJSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000658039274 411214408 /nfs/dbraw/zinc/21/44/08/411214408.db2.gz XMPVYAPZSIDONK-FRRDWIJNSA-N 2 2 236.403 2.495 20 0 BEADLP CCOC1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000658039237 411214810 /nfs/dbraw/zinc/21/48/10/411214810.db2.gz XBVZLLJGQRUEMH-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP [NH3+]CC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000652358458 411215312 /nfs/dbraw/zinc/21/53/12/411215312.db2.gz GBXQXIXCQINPNS-ZDUSSCGKSA-N 2 2 236.334 2.181 20 0 BEADLP [NH3+]CC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000652358458 411215314 /nfs/dbraw/zinc/21/53/14/411215314.db2.gz GBXQXIXCQINPNS-ZDUSSCGKSA-N 2 2 236.334 2.181 20 0 BEADLP CCOC1CC([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000658054372 411221714 /nfs/dbraw/zinc/22/17/14/411221714.db2.gz DZLNJUMOHHTHOH-OTTFEQOBSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC1CC([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658054372 411221718 /nfs/dbraw/zinc/22/17/18/411221718.db2.gz DZLNJUMOHHTHOH-OTTFEQOBSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000655683261 411224235 /nfs/dbraw/zinc/22/42/35/411224235.db2.gz BDCVTSCJGXTLMQ-GHMZBOCLSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CCCO1 ZINC000658058428 411225115 /nfs/dbraw/zinc/22/51/15/411225115.db2.gz SQQSWTHCMDBWPK-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CCCO1 ZINC000658058428 411225122 /nfs/dbraw/zinc/22/51/22/411225122.db2.gz SQQSWTHCMDBWPK-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CCCO1 ZINC000658058431 411225459 /nfs/dbraw/zinc/22/54/59/411225459.db2.gz SQQSWTHCMDBWPK-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1CCCO1 ZINC000658058431 411225462 /nfs/dbraw/zinc/22/54/62/411225462.db2.gz SQQSWTHCMDBWPK-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1cc(NC(C)(C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000308668076 411231834 /nfs/dbraw/zinc/23/18/34/411231834.db2.gz OWAAWOPAEQSMCN-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000422976595 411236574 /nfs/dbraw/zinc/23/65/74/411236574.db2.gz VJLRCVBKIIADMY-SWLSCSKDSA-N 2 2 244.338 2.328 20 0 BEADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000422976596 411236598 /nfs/dbraw/zinc/23/65/98/411236598.db2.gz VJLRCVBKIIADMY-WFASDCNBSA-N 2 2 244.338 2.328 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000423202930 411237323 /nfs/dbraw/zinc/23/73/23/411237323.db2.gz LNXJATJJKWHDJO-PSASIEDQSA-N 2 2 239.388 2.026 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000049591430 411240418 /nfs/dbraw/zinc/24/04/18/411240418.db2.gz LZUHFSCGHJSTHL-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000049591430 411240430 /nfs/dbraw/zinc/24/04/30/411240430.db2.gz LZUHFSCGHJSTHL-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000658089640 411241413 /nfs/dbraw/zinc/24/14/13/411241413.db2.gz ANTXZUYZNFKLEI-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000658089640 411241416 /nfs/dbraw/zinc/24/14/16/411241416.db2.gz ANTXZUYZNFKLEI-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccoc1 ZINC000515164876 411273567 /nfs/dbraw/zinc/27/35/67/411273567.db2.gz WULCXNNXOATYMF-JQWIXIFHSA-N 2 2 210.321 2.448 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccoc1 ZINC000515164877 411273743 /nfs/dbraw/zinc/27/37/43/411273743.db2.gz WULCXNNXOATYMF-PWSUYJOCSA-N 2 2 210.321 2.448 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccoc1 ZINC000515164878 411273887 /nfs/dbraw/zinc/27/38/87/411273887.db2.gz WULCXNNXOATYMF-ZYHUDNBSSA-N 2 2 210.321 2.448 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401699684 411287222 /nfs/dbraw/zinc/28/72/22/411287222.db2.gz NTWRPOBFZRYNSL-BXUZGUMPSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cscn1 ZINC000658240559 411309252 /nfs/dbraw/zinc/30/92/52/411309252.db2.gz ZICFZTUDJYCHNT-WDEREUQCSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cscn1 ZINC000658240559 411309253 /nfs/dbraw/zinc/30/92/53/411309253.db2.gz ZICFZTUDJYCHNT-WDEREUQCSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCSC1 ZINC000658243302 411310433 /nfs/dbraw/zinc/31/04/33/411310433.db2.gz ZXMCWIWDKYKPHW-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1[nH+]cc(CNc2cc(C)c[nH+]c2C)n1C ZINC000656775982 411356214 /nfs/dbraw/zinc/35/62/14/411356214.db2.gz FQTQXXLBJVKNIH-UHFFFAOYSA-N 2 2 230.315 2.352 20 0 BEADLP CCc1cc[nH+]cc1NCc1c[nH+]c(C)n1C ZINC000656776494 411357153 /nfs/dbraw/zinc/35/71/53/411357153.db2.gz OWWPNERKTQLMRQ-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000130517042 411357678 /nfs/dbraw/zinc/35/76/78/411357678.db2.gz KOLXMKDMRRWYAG-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000130517042 411357681 /nfs/dbraw/zinc/35/76/81/411357681.db2.gz KOLXMKDMRRWYAG-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP CCc1ccc(C)[nH+]c1NCc1c[nH+]cn1C ZINC000656777944 411358995 /nfs/dbraw/zinc/35/89/95/411358995.db2.gz IJBOHIZUMHECPD-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP CCOc1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788269 411368277 /nfs/dbraw/zinc/36/82/77/411368277.db2.gz HHQDQHATVSDQBS-UHFFFAOYSA-N 2 2 248.370 2.446 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC2CC2)CC1 ZINC000336755076 168112110 /nfs/dbraw/zinc/11/21/10/168112110.db2.gz XJLAWUBICRVQHS-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC2CC2)CC1 ZINC000336755076 168112112 /nfs/dbraw/zinc/11/21/12/168112112.db2.gz XJLAWUBICRVQHS-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+]Cc2ccccc2)CC1 ZINC000358177893 168112144 /nfs/dbraw/zinc/11/21/44/168112144.db2.gz XXYQUKGUBUKKBP-UHFFFAOYSA-N 2 2 230.355 2.428 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccccc2)CC1 ZINC000358177893 168112145 /nfs/dbraw/zinc/11/21/45/168112145.db2.gz XXYQUKGUBUKKBP-UHFFFAOYSA-N 2 2 230.355 2.428 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000336781884 168112933 /nfs/dbraw/zinc/11/29/33/168112933.db2.gz WAARNZCJJASEKJ-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000336781884 168112934 /nfs/dbraw/zinc/11/29/34/168112934.db2.gz WAARNZCJJASEKJ-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CC2CC2)CC1 ZINC000336755075 168112983 /nfs/dbraw/zinc/11/29/83/168112983.db2.gz XJLAWUBICRVQHS-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC2CC2)CC1 ZINC000336755075 168112985 /nfs/dbraw/zinc/11/29/85/168112985.db2.gz XJLAWUBICRVQHS-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000336781885 168113062 /nfs/dbraw/zinc/11/30/62/168113062.db2.gz WAARNZCJJASEKJ-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000336781885 168113063 /nfs/dbraw/zinc/11/30/63/168113063.db2.gz WAARNZCJJASEKJ-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777862 168156446 /nfs/dbraw/zinc/15/64/46/168156446.db2.gz JSKFKBYNLBTBGK-FKZOYECMSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777862 168156449 /nfs/dbraw/zinc/15/64/49/168156449.db2.gz JSKFKBYNLBTBGK-FKZOYECMSA-N 2 2 224.392 2.352 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2CCC2(C)C)CC1 ZINC000309344684 168181413 /nfs/dbraw/zinc/18/14/13/168181413.db2.gz WDZUFPFIWUWTTK-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(F)c2)n1C ZINC000657300452 411457935 /nfs/dbraw/zinc/45/79/35/411457935.db2.gz FSAZDUDKZAGBQR-UHFFFAOYSA-N 2 2 233.290 2.157 20 0 BEADLP c1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)cs1 ZINC000657310374 411459637 /nfs/dbraw/zinc/45/96/37/411459637.db2.gz LPHCGCQAYDCXQG-UHFFFAOYSA-N 2 2 233.340 2.181 20 0 BEADLP C[NH+](C)CCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653510147 411416043 /nfs/dbraw/zinc/41/60/43/411416043.db2.gz OACMRPJOLCTOOL-UHFFFAOYSA-N 2 2 215.300 2.181 20 0 BEADLP CCSCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266882532 411418133 /nfs/dbraw/zinc/41/81/33/411418133.db2.gz APAICPLXVZWHAQ-LLVKDONJSA-N 2 2 239.388 2.342 20 0 BEADLP CCSCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266882532 411418135 /nfs/dbraw/zinc/41/81/35/411418135.db2.gz APAICPLXVZWHAQ-LLVKDONJSA-N 2 2 239.388 2.342 20 0 BEADLP CC[C@H]1C[N@H+](C)CCCN1c1cc(C)[nH+]c(C)n1 ZINC000657208303 411419056 /nfs/dbraw/zinc/41/90/56/411419056.db2.gz FDHKVLRVLUYDNV-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP CC[C@H]1C[N@@H+](C)CCCN1c1cc(C)[nH+]c(C)n1 ZINC000657208303 411419058 /nfs/dbraw/zinc/41/90/58/411419058.db2.gz FDHKVLRVLUYDNV-ZDUSSCGKSA-N 2 2 248.374 2.014 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000653541969 411419278 /nfs/dbraw/zinc/41/92/78/411419278.db2.gz BNECCSJEQDMOCH-CQSZACIVSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C1CC1 ZINC000653541969 411419280 /nfs/dbraw/zinc/41/92/80/411419280.db2.gz BNECCSJEQDMOCH-CQSZACIVSA-N 2 2 233.359 2.227 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323795 411463517 /nfs/dbraw/zinc/46/35/17/411463517.db2.gz AGKAEZZMUCJZLN-LJISPDSOSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323795 411463519 /nfs/dbraw/zinc/46/35/19/411463519.db2.gz AGKAEZZMUCJZLN-LJISPDSOSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC000217594662 411451144 /nfs/dbraw/zinc/45/11/44/411451144.db2.gz ZEZAPXXZJPONGS-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000217594662 411451146 /nfs/dbraw/zinc/45/11/46/411451146.db2.gz ZEZAPXXZJPONGS-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2F)n1C ZINC000657291586 411452161 /nfs/dbraw/zinc/45/21/61/411452161.db2.gz YFGMILMXSIADRW-UHFFFAOYSA-N 2 2 233.290 2.157 20 0 BEADLP CCC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657339099 411473199 /nfs/dbraw/zinc/47/31/99/411473199.db2.gz LSCNEQQIERMCLZ-UHFFFAOYSA-N 2 2 207.321 2.108 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(C)CCCC2)n1C ZINC000657358644 411476231 /nfs/dbraw/zinc/47/62/31/411476231.db2.gz LVKVAJHAJLVVII-UHFFFAOYSA-N 2 2 221.348 2.398 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2cc(C(C)C)no2)n1C ZINC000657360844 411477419 /nfs/dbraw/zinc/47/74/19/411477419.db2.gz ADRXNLXQMWGRQQ-UHFFFAOYSA-N 2 2 248.330 2.130 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CC[NH2+]C1)Oc1ccccc1C ZINC000415087736 411490343 /nfs/dbraw/zinc/49/03/43/411490343.db2.gz WNJUAIUFHLADCS-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)CO1 ZINC000657391005 411490792 /nfs/dbraw/zinc/49/07/92/411490792.db2.gz LXJNOONBBUTYFM-CHWSQXEVSA-N 2 2 249.358 2.041 20 0 BEADLP CC(C)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657391528 411490823 /nfs/dbraw/zinc/49/08/23/411490823.db2.gz MNRYMIJMEVCJCG-UHFFFAOYSA-N 2 2 233.359 2.355 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117197 411492407 /nfs/dbraw/zinc/49/24/07/411492407.db2.gz BXJMAVIMWBWGJE-TZQJONAQSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117197 411492411 /nfs/dbraw/zinc/49/24/11/411492411.db2.gz BXJMAVIMWBWGJE-TZQJONAQSA-N 2 2 248.345 2.208 20 0 BEADLP FC1(F)CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657398977 411495133 /nfs/dbraw/zinc/49/51/33/411495133.db2.gz QHLSMWTYUJIGJM-VIFPVBQESA-N 2 2 241.285 2.107 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2ncc(C)s2)CC1 ZINC000168355456 169955961 /nfs/dbraw/zinc/95/59/61/169955961.db2.gz KGEGZCWBBIHKEU-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP CCc1ccc[nH+]c1NCc1[nH]cc(C)[nH+]1 ZINC000657415121 411500003 /nfs/dbraw/zinc/50/00/03/411500003.db2.gz HKIOVEAURRRFRQ-UHFFFAOYSA-N 2 2 216.288 2.288 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1(C3CC3)CC1)CCC2 ZINC000657416970 411500722 /nfs/dbraw/zinc/50/07/22/411500722.db2.gz YRJUXNGQOIAPKE-UHFFFAOYSA-N 2 2 231.343 2.109 20 0 BEADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000083143020 170009958 /nfs/dbraw/zinc/00/99/58/170009958.db2.gz APLJEGWVJFUQMX-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000083143020 170009959 /nfs/dbraw/zinc/00/99/59/170009959.db2.gz APLJEGWVJFUQMX-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000328453725 170011151 /nfs/dbraw/zinc/01/11/51/170011151.db2.gz DREVVSKZKAWJQI-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000328453725 170011152 /nfs/dbraw/zinc/01/11/52/170011152.db2.gz DREVVSKZKAWJQI-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328462480 170012477 /nfs/dbraw/zinc/01/24/77/170012477.db2.gz HVWRWPKHNCQRFY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328462480 170012478 /nfs/dbraw/zinc/01/24/78/170012478.db2.gz HVWRWPKHNCQRFY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000336904329 170013268 /nfs/dbraw/zinc/01/32/68/170013268.db2.gz VXZTYOPJCMGVCT-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000336904329 170013269 /nfs/dbraw/zinc/01/32/69/170013269.db2.gz VXZTYOPJCMGVCT-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c[nH]1 ZINC000655856735 411538773 /nfs/dbraw/zinc/53/87/73/411538773.db2.gz OXZRRCCJAFOETG-ZIAGYGMSSA-N 2 2 233.359 2.121 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000655856735 411538774 /nfs/dbraw/zinc/53/87/74/411538774.db2.gz OXZRRCCJAFOETG-ZIAGYGMSSA-N 2 2 233.359 2.121 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749720 170019279 /nfs/dbraw/zinc/01/92/79/170019279.db2.gz MBOCBIXXFIQSQY-KBPBESRZSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749720 170019281 /nfs/dbraw/zinc/01/92/81/170019281.db2.gz MBOCBIXXFIQSQY-KBPBESRZSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749720 170019283 /nfs/dbraw/zinc/01/92/83/170019283.db2.gz MBOCBIXXFIQSQY-KBPBESRZSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749720 170019285 /nfs/dbraw/zinc/01/92/85/170019285.db2.gz MBOCBIXXFIQSQY-KBPBESRZSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000336901535 170021152 /nfs/dbraw/zinc/02/11/52/170021152.db2.gz SVFPOOBVFGNZOW-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000336901535 170021153 /nfs/dbraw/zinc/02/11/53/170021153.db2.gz SVFPOOBVFGNZOW-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000328468966 170021334 /nfs/dbraw/zinc/02/13/34/170021334.db2.gz KKWJNIVLIQGVDG-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000328468966 170021335 /nfs/dbraw/zinc/02/13/35/170021335.db2.gz KKWJNIVLIQGVDG-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000336904779 170021948 /nfs/dbraw/zinc/02/19/48/170021948.db2.gz WIDKTLYOQIXPOA-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000336904779 170021949 /nfs/dbraw/zinc/02/19/49/170021949.db2.gz WIDKTLYOQIXPOA-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655856665 411539510 /nfs/dbraw/zinc/53/95/10/411539510.db2.gz QBAOOLMNQRXIBI-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655856665 411539512 /nfs/dbraw/zinc/53/95/12/411539512.db2.gz QBAOOLMNQRXIBI-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCSC(C)C)C1 ZINC000336766466 170031257 /nfs/dbraw/zinc/03/12/57/170031257.db2.gz ROUULIUTGSLEJW-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCSC(C)C)C1 ZINC000336766466 170031258 /nfs/dbraw/zinc/03/12/58/170031258.db2.gz ROUULIUTGSLEJW-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC2(CC)CC2)[C@@H](C)C1 ZINC000336766190 170035207 /nfs/dbraw/zinc/03/52/07/170035207.db2.gz RJTYFMZTPJOALG-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CC)CC2)[C@@H](C)C1 ZINC000336766190 170035208 /nfs/dbraw/zinc/03/52/08/170035208.db2.gz RJTYFMZTPJOALG-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)(C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524210 411540368 /nfs/dbraw/zinc/54/03/68/411540368.db2.gz JKNDDXUANPMHKJ-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524210 411540369 /nfs/dbraw/zinc/54/03/69/411540369.db2.gz JKNDDXUANPMHKJ-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCSC)C1 ZINC000309058372 170036655 /nfs/dbraw/zinc/03/66/55/170036655.db2.gz VMFJAVAXSQSYAE-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCSC)C1 ZINC000309058372 170036656 /nfs/dbraw/zinc/03/66/56/170036656.db2.gz VMFJAVAXSQSYAE-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527675 411541289 /nfs/dbraw/zinc/54/12/89/411541289.db2.gz XHZRBLJWZZIMNF-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527675 411541290 /nfs/dbraw/zinc/54/12/90/411541290.db2.gz XHZRBLJWZZIMNF-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCCC1 ZINC000657523875 411541373 /nfs/dbraw/zinc/54/13/73/411541373.db2.gz LNTWMIXTZNSJIE-GFCCVEGCSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCCC1 ZINC000657523875 411541375 /nfs/dbraw/zinc/54/13/75/411541375.db2.gz LNTWMIXTZNSJIE-GFCCVEGCSA-N 2 2 210.365 2.391 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526144 411542871 /nfs/dbraw/zinc/54/28/71/411542871.db2.gz AWLBGSGDTGCUHO-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526144 411542873 /nfs/dbraw/zinc/54/28/73/411542873.db2.gz AWLBGSGDTGCUHO-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000657524827 411543123 /nfs/dbraw/zinc/54/31/23/411543123.db2.gz MCGKSQRSFGBQNJ-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000657524827 411543125 /nfs/dbraw/zinc/54/31/25/411543125.db2.gz MCGKSQRSFGBQNJ-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)O1 ZINC000657526461 411543296 /nfs/dbraw/zinc/54/32/96/411543296.db2.gz HRGRARZVOGPSRK-LPWJVIDDSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)O1 ZINC000657526461 411543297 /nfs/dbraw/zinc/54/32/97/411543297.db2.gz HRGRARZVOGPSRK-LPWJVIDDSA-N 2 2 240.391 2.015 20 0 BEADLP CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848686 411536943 /nfs/dbraw/zinc/53/69/43/411536943.db2.gz JRZWKIHZCYGBPI-YNEHKIRRSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848686 411536944 /nfs/dbraw/zinc/53/69/44/411536944.db2.gz JRZWKIHZCYGBPI-YNEHKIRRSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849047 411537225 /nfs/dbraw/zinc/53/72/25/411537225.db2.gz LZHZSRUAJDGQFS-UBHSHLNASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849047 411537228 /nfs/dbraw/zinc/53/72/28/411537228.db2.gz LZHZSRUAJDGQFS-UBHSHLNASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000657564511 411553264 /nfs/dbraw/zinc/55/32/64/411553264.db2.gz ZXVZRQZOHUGHLM-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000657564511 411553265 /nfs/dbraw/zinc/55/32/65/411553265.db2.gz ZXVZRQZOHUGHLM-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@]23C[C@H]2CCC3)[nH+]1 ZINC000657551189 411547735 /nfs/dbraw/zinc/54/77/35/411547735.db2.gz MFWRAZAYOUCUOU-BXUZGUMPSA-N 2 2 227.311 2.367 20 0 BEADLP CC[C@@H](C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657586149 411557170 /nfs/dbraw/zinc/55/71/70/411557170.db2.gz IJJPUKQQKXBWJW-LLVKDONJSA-N 2 2 221.348 2.355 20 0 BEADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000660253455 411560343 /nfs/dbraw/zinc/56/03/43/411560343.db2.gz HOBPOTQEJFIWFI-STQMWFEESA-N 2 2 236.403 2.497 20 0 BEADLP CCOCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336713132 170372161 /nfs/dbraw/zinc/37/21/61/170372161.db2.gz SJDXNNWOQLALMC-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP CCOCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353918288 170380670 /nfs/dbraw/zinc/38/06/70/170380670.db2.gz SZPYNOJWQXDIKQ-UHFFFAOYSA-N 2 2 236.359 2.339 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC[C@]2(C)CC2(F)F)n1C ZINC000657673772 411576041 /nfs/dbraw/zinc/57/60/41/411576041.db2.gz WFFWUAFCFVIGAP-LLVKDONJSA-N 2 2 243.301 2.254 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000657741140 411588620 /nfs/dbraw/zinc/58/86/20/411588620.db2.gz DMWMRUQTHFXPJR-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000657741140 411588621 /nfs/dbraw/zinc/58/86/21/411588621.db2.gz DMWMRUQTHFXPJR-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CC2(C)C)n1C ZINC000657760979 411590586 /nfs/dbraw/zinc/59/05/86/411590586.db2.gz COGBZDAZTYZBJC-GFCCVEGCSA-N 2 2 207.321 2.007 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@@H+]1C1CC1 ZINC000657783492 411594917 /nfs/dbraw/zinc/59/49/17/411594917.db2.gz TWRGGPKNRQEYDV-QWHCGFSZSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCc2ccco2)C[N@H+]1C1CC1 ZINC000657783492 411594919 /nfs/dbraw/zinc/59/49/19/411594919.db2.gz TWRGGPKNRQEYDV-QWHCGFSZSA-N 2 2 248.370 2.427 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657816398 411605380 /nfs/dbraw/zinc/60/53/80/411605380.db2.gz IZNGBXFRKRVSQO-UHFFFAOYSA-N 2 2 234.334 2.006 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657822158 411607268 /nfs/dbraw/zinc/60/72/68/411607268.db2.gz WPMXKTSMYRTPFT-LBPRGKRZSA-N 2 2 246.345 2.148 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657822158 411607270 /nfs/dbraw/zinc/60/72/70/411607270.db2.gz WPMXKTSMYRTPFT-LBPRGKRZSA-N 2 2 246.345 2.148 20 0 BEADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000657824713 411607792 /nfs/dbraw/zinc/60/77/92/411607792.db2.gz KBRXAPNOFBYSSQ-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP CCOC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000657826442 411608279 /nfs/dbraw/zinc/60/82/79/411608279.db2.gz ULBGPBCRDIEICS-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)[NH+](C)C ZINC000657871698 411614067 /nfs/dbraw/zinc/61/40/67/411614067.db2.gz LHRDHQDJFJWNOO-RNJOBUHISA-N 2 2 224.392 2.351 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCC1 ZINC000657873802 411615126 /nfs/dbraw/zinc/61/51/26/411615126.db2.gz VJFUTXBDQMXCPI-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCC1 ZINC000657873802 411615127 /nfs/dbraw/zinc/61/51/27/411615127.db2.gz VJFUTXBDQMXCPI-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CCc1cccc(F)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663500330 411683833 /nfs/dbraw/zinc/68/38/33/411683833.db2.gz KABQBFHJAYXGKK-UHFFFAOYSA-N 2 2 248.345 2.230 20 0 BEADLP Cc1cc(C)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663502294 411686016 /nfs/dbraw/zinc/68/60/16/411686016.db2.gz RICWXCKMDDMBLZ-UHFFFAOYSA-N 2 2 230.355 2.145 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000663509217 411692202 /nfs/dbraw/zinc/69/22/02/411692202.db2.gz IMCWHTDKVPTKLO-FSIBCCDJSA-N 2 2 240.297 2.176 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000663509965 411693250 /nfs/dbraw/zinc/69/32/50/411693250.db2.gz NHUIUVLIBRFAEY-PGLGOXFNSA-N 2 2 222.307 2.036 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000663514681 411695177 /nfs/dbraw/zinc/69/51/77/411695177.db2.gz RZXWERQGTKEKDH-SECBINFHSA-N 2 2 249.383 2.302 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000661371102 411756406 /nfs/dbraw/zinc/75/64/06/411756406.db2.gz CZBMXOVLXBURTI-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC(F)CC1 ZINC000661997751 411937118 /nfs/dbraw/zinc/93/71/18/411937118.db2.gz CDOFZMGXKPRYDG-WHXUTIOJSA-N 2 2 225.311 2.416 20 0 BEADLP CC(C)CC1([NH2+]CCn2cc[nH+]c2)CC1 ZINC000662070848 411971337 /nfs/dbraw/zinc/97/13/37/411971337.db2.gz HDECUFUWEQLHKX-UHFFFAOYSA-N 2 2 207.321 2.051 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](CCC1CC1)CC1CC1 ZINC000662177759 412020023 /nfs/dbraw/zinc/02/00/23/412020023.db2.gz NLODVXHBKFEWAN-UHFFFAOYSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](CCC1CC1)CC1CC1 ZINC000662177759 412020025 /nfs/dbraw/zinc/02/00/25/412020025.db2.gz NLODVXHBKFEWAN-UHFFFAOYSA-N 2 2 247.386 2.475 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000662246101 412043659 /nfs/dbraw/zinc/04/36/59/412043659.db2.gz OVTOTWJKEJBTJI-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000662246101 412043663 /nfs/dbraw/zinc/04/36/63/412043663.db2.gz OVTOTWJKEJBTJI-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182843721 171011399 /nfs/dbraw/zinc/01/13/99/171011399.db2.gz ZKVFJDQJCBRZCO-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182843721 171011402 /nfs/dbraw/zinc/01/14/02/171011402.db2.gz ZKVFJDQJCBRZCO-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH+](C)C ZINC000336736756 171032430 /nfs/dbraw/zinc/03/24/30/171032430.db2.gz PQGWOAKCYQDYBS-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000336763153 171043755 /nfs/dbraw/zinc/04/37/55/171043755.db2.gz OOMWNVYYJOQOKO-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000336763153 171043756 /nfs/dbraw/zinc/04/37/56/171043756.db2.gz OOMWNVYYJOQOKO-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309432112 171045102 /nfs/dbraw/zinc/04/51/02/171045102.db2.gz ADCIQLMRSXFYEB-MXWKQRLJSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309432112 171045103 /nfs/dbraw/zinc/04/51/03/171045103.db2.gz ADCIQLMRSXFYEB-MXWKQRLJSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@H]1O ZINC000289240198 171081271 /nfs/dbraw/zinc/08/12/71/171081271.db2.gz LAQJKUMHRQVEDJ-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@H]1O ZINC000289240198 171081273 /nfs/dbraw/zinc/08/12/73/171081273.db2.gz LAQJKUMHRQVEDJ-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@]1(C)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000336701928 171200835 /nfs/dbraw/zinc/20/08/35/171200835.db2.gz MHEPJWBDIBJZEF-ZDUSSCGKSA-N 2 2 221.348 2.314 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000336701928 171200837 /nfs/dbraw/zinc/20/08/37/171200837.db2.gz MHEPJWBDIBJZEF-ZDUSSCGKSA-N 2 2 221.348 2.314 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC1CCC1 ZINC000662282930 412075104 /nfs/dbraw/zinc/07/51/04/412075104.db2.gz DPGWCVJRVSREHC-UHFFFAOYSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC1CCC1 ZINC000662282930 412075107 /nfs/dbraw/zinc/07/51/07/412075107.db2.gz DPGWCVJRVSREHC-UHFFFAOYSA-N 2 2 222.376 2.380 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366207397 171341662 /nfs/dbraw/zinc/34/16/62/171341662.db2.gz AYLBTYDURKMVCJ-CMPLNLGQSA-N 2 2 221.348 2.457 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054111045 171364381 /nfs/dbraw/zinc/36/43/81/171364381.db2.gz MBYATVBMNFZGSF-NWDGAFQWSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054111045 171364379 /nfs/dbraw/zinc/36/43/79/171364379.db2.gz MBYATVBMNFZGSF-NWDGAFQWSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC000020089776 171365034 /nfs/dbraw/zinc/36/50/34/171365034.db2.gz LNWJKMWVEAHUOZ-NWDGAFQWSA-N 2 2 200.370 2.352 20 0 BEADLP CO[C@H](C[N@H+](C)CC(C)(C)[NH3+])c1ccccc1 ZINC000662293646 412081801 /nfs/dbraw/zinc/08/18/01/412081801.db2.gz HCHFWQNQZVZOME-CYBMUJFWSA-N 2 2 236.359 2.043 20 0 BEADLP CO[C@H](C[N@@H+](C)CC(C)(C)[NH3+])c1ccccc1 ZINC000662293646 412081804 /nfs/dbraw/zinc/08/18/04/412081804.db2.gz HCHFWQNQZVZOME-CYBMUJFWSA-N 2 2 236.359 2.043 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020126010 171389095 /nfs/dbraw/zinc/38/90/95/171389095.db2.gz JFQJIIMNXAYMKM-QWRGUYRKSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000238857069 171389496 /nfs/dbraw/zinc/38/94/96/171389496.db2.gz XZUSPJIKFBSHMU-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000238857069 171389497 /nfs/dbraw/zinc/38/94/97/171389497.db2.gz XZUSPJIKFBSHMU-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336741413 171390616 /nfs/dbraw/zinc/39/06/16/171390616.db2.gz QZYNHBSMUHNTFK-KZVDOYCCSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336741413 171390618 /nfs/dbraw/zinc/39/06/18/171390618.db2.gz QZYNHBSMUHNTFK-KZVDOYCCSA-N 2 2 224.392 2.493 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000662299661 412086314 /nfs/dbraw/zinc/08/63/14/412086314.db2.gz UFOPTQBVHJQWIG-UHFFFAOYSA-N 2 2 243.354 2.136 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000662299661 412086319 /nfs/dbraw/zinc/08/63/19/412086319.db2.gz UFOPTQBVHJQWIG-UHFFFAOYSA-N 2 2 243.354 2.136 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCCC(F)(F)F ZINC000662305235 412090859 /nfs/dbraw/zinc/09/08/59/412090859.db2.gz FLAPIJHAUJPAFO-UHFFFAOYSA-N 2 2 236.281 2.142 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2CCCCC(F)(F)F ZINC000662305235 412090863 /nfs/dbraw/zinc/09/08/63/412090863.db2.gz FLAPIJHAUJPAFO-UHFFFAOYSA-N 2 2 236.281 2.142 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662305073 412091584 /nfs/dbraw/zinc/09/15/84/412091584.db2.gz YEKSYQIHOOJMDE-IFQILLTASA-N 2 2 234.318 2.310 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305073 412091585 /nfs/dbraw/zinc/09/15/85/412091585.db2.gz YEKSYQIHOOJMDE-IFQILLTASA-N 2 2 234.318 2.310 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662323519 412101104 /nfs/dbraw/zinc/10/11/04/412101104.db2.gz XGEXIHQCCORBMK-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662323519 412101107 /nfs/dbraw/zinc/10/11/07/412101107.db2.gz XGEXIHQCCORBMK-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665236115 412175719 /nfs/dbraw/zinc/17/57/19/412175719.db2.gz HNHOAWJFMMSDBZ-FRRDWIJNSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665241522 412184468 /nfs/dbraw/zinc/18/44/68/412184468.db2.gz PJDAQTPSNJZBSU-COPLHBTASA-N 2 2 216.328 2.186 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cs1 ZINC000665246328 412190551 /nfs/dbraw/zinc/19/05/51/412190551.db2.gz BSDJSYDTHIXUQA-SECBINFHSA-N 2 2 239.388 2.374 20 0 BEADLP CC(C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254291 412199058 /nfs/dbraw/zinc/19/90/58/412199058.db2.gz MFDCFFUSVHLJHQ-ZIAGYGMSSA-N 2 2 236.334 2.269 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276771 412218457 /nfs/dbraw/zinc/21/84/57/412218457.db2.gz MFFLNSATVWZEIZ-WPBUFGDCSA-N 2 2 228.339 2.016 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276620 412218718 /nfs/dbraw/zinc/21/87/18/412218718.db2.gz IGATZBSJSQCXNP-BZUNDVKYSA-N 2 2 246.354 2.098 20 0 BEADLP CC(C)[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccnc1 ZINC000665279215 412223277 /nfs/dbraw/zinc/22/32/77/412223277.db2.gz ZLIAAQWUUNOTMC-HNFVBEJKSA-N 2 2 245.370 2.120 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)no1 ZINC000665281815 412225873 /nfs/dbraw/zinc/22/58/73/412225873.db2.gz LESXTURLLKESNE-WDEREUQCSA-N 2 2 225.336 2.007 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665283718 412228789 /nfs/dbraw/zinc/22/87/89/412228789.db2.gz SUFVRJHMSPORKC-QLFBSQMISA-N 3 2 247.386 2.094 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000665288352 412234420 /nfs/dbraw/zinc/23/44/20/412234420.db2.gz KSGXAYAWKVTODD-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000665288352 412234422 /nfs/dbraw/zinc/23/44/22/412234422.db2.gz KSGXAYAWKVTODD-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000665294056 412239207 /nfs/dbraw/zinc/23/92/07/412239207.db2.gz HIMCUXQQHZLPNQ-SMDDNHRTSA-N 2 2 218.344 2.262 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000665293929 412239556 /nfs/dbraw/zinc/23/95/56/412239556.db2.gz FSEXVLDENFUROE-RYUDHWBXSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000665293838 412239779 /nfs/dbraw/zinc/23/97/79/412239779.db2.gz DKELQAVHCCANQT-IUCAKERBSA-N 2 2 228.286 2.223 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000665294642 412241558 /nfs/dbraw/zinc/24/15/58/412241558.db2.gz SQEXZLKREUNBIF-CMPLNLGQSA-N 2 2 236.384 2.421 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000665294848 412241651 /nfs/dbraw/zinc/24/16/51/412241651.db2.gz XNXQJPBDDSTLLI-NWDGAFQWSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000665295422 412242611 /nfs/dbraw/zinc/24/26/11/412242611.db2.gz DITKHPCXYCCIDC-HTQZYQBOSA-N 2 2 246.276 2.362 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000665296584 412243464 /nfs/dbraw/zinc/24/34/64/412243464.db2.gz VATYMPRGLHPBPJ-FZMZJTMJSA-N 2 2 218.344 2.335 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000665296850 412243954 /nfs/dbraw/zinc/24/39/54/412243954.db2.gz YTTJXGGNXCUYHT-COPLHBTASA-N 2 2 218.344 2.117 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000665296828 412244638 /nfs/dbraw/zinc/24/46/38/412244638.db2.gz YJEBQHJFKSEVSF-OQPBUACISA-N 2 2 240.297 2.150 20 0 BEADLP [NH3+]CC[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1 ZINC000087246679 487622794 /nfs/dbraw/zinc/62/27/94/487622794.db2.gz KYLWVTPCRFQLEY-HNNXBMFYSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1 ZINC000087246679 487622797 /nfs/dbraw/zinc/62/27/97/487622797.db2.gz KYLWVTPCRFQLEY-HNNXBMFYSA-N 2 2 248.370 2.016 20 0 BEADLP CCn1c2ccc(C)cc2[nH+]c1CCC[NH3+] ZINC000037438127 172143060 /nfs/dbraw/zinc/14/30/60/172143060.db2.gz VURQICBSKACQMP-UHFFFAOYSA-N 2 2 217.316 2.256 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336781732 172395228 /nfs/dbraw/zinc/39/52/28/172395228.db2.gz VLFRHDRFFPDLJF-BZPMIXESSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309589092 173032981 /nfs/dbraw/zinc/03/29/81/173032981.db2.gz UCHWTRYTWONBSI-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309589092 173032984 /nfs/dbraw/zinc/03/29/84/173032984.db2.gz UCHWTRYTWONBSI-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000335596501 173033158 /nfs/dbraw/zinc/03/31/58/173033158.db2.gz RGWOJMHBQZSLIM-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000335596501 173033160 /nfs/dbraw/zinc/03/31/60/173033160.db2.gz RGWOJMHBQZSLIM-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000268785759 173034459 /nfs/dbraw/zinc/03/44/59/173034459.db2.gz CMLMAUTXTMLBFB-ABAIWWIYSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000268785759 173034462 /nfs/dbraw/zinc/03/44/62/173034462.db2.gz CMLMAUTXTMLBFB-ABAIWWIYSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000040671787 173046132 /nfs/dbraw/zinc/04/61/32/173046132.db2.gz NYLVQMULNMSLSH-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000040671787 173046133 /nfs/dbraw/zinc/04/61/33/173046133.db2.gz NYLVQMULNMSLSH-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335596530 173056767 /nfs/dbraw/zinc/05/67/67/173056767.db2.gz XYRLNTGIBCLBOP-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335596530 173056769 /nfs/dbraw/zinc/05/67/69/173056769.db2.gz XYRLNTGIBCLBOP-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3F)[C@H]2C1 ZINC000336469156 173160239 /nfs/dbraw/zinc/16/02/39/173160239.db2.gz YPKJFFMAHKIXID-WFASDCNBSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3F)[C@H]2C1 ZINC000336469156 173160243 /nfs/dbraw/zinc/16/02/43/173160243.db2.gz YPKJFFMAHKIXID-WFASDCNBSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3F)[C@H]2C1 ZINC000336469156 173160245 /nfs/dbraw/zinc/16/02/45/173160245.db2.gz YPKJFFMAHKIXID-WFASDCNBSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3F)[C@H]2C1 ZINC000336469156 173160246 /nfs/dbraw/zinc/16/02/46/173160246.db2.gz YPKJFFMAHKIXID-WFASDCNBSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542707 173160255 /nfs/dbraw/zinc/16/02/55/173160255.db2.gz CFPOCJAGEFHOBS-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542707 173160258 /nfs/dbraw/zinc/16/02/58/173160258.db2.gz CFPOCJAGEFHOBS-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542707 173160261 /nfs/dbraw/zinc/16/02/61/173160261.db2.gz CFPOCJAGEFHOBS-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000272542707 173160263 /nfs/dbraw/zinc/16/02/63/173160263.db2.gz CFPOCJAGEFHOBS-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccsc3)[C@@H]2C1 ZINC000272646237 173161576 /nfs/dbraw/zinc/16/15/76/173161576.db2.gz PAOIXPOHOYNACO-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccsc3)[C@@H]2C1 ZINC000272646237 173161577 /nfs/dbraw/zinc/16/15/77/173161577.db2.gz PAOIXPOHOYNACO-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccsc3)[C@@H]2C1 ZINC000272646237 173161578 /nfs/dbraw/zinc/16/15/78/173161578.db2.gz PAOIXPOHOYNACO-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccsc3)[C@@H]2C1 ZINC000272646237 173161579 /nfs/dbraw/zinc/16/15/79/173161579.db2.gz PAOIXPOHOYNACO-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH2+]C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000336521466 173324054 /nfs/dbraw/zinc/32/40/54/173324054.db2.gz KYJZRPOZLSMQQO-HNNXBMFYSA-N 2 2 248.345 2.497 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000083357732 173349151 /nfs/dbraw/zinc/34/91/51/173349151.db2.gz CARLLNMUPQUJSG-UHFFFAOYSA-N 2 2 230.714 2.178 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000042390563 173369097 /nfs/dbraw/zinc/36/90/97/173369097.db2.gz ZQWYECHSVIMSFW-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000042390563 173369099 /nfs/dbraw/zinc/36/90/99/173369099.db2.gz ZQWYECHSVIMSFW-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499086 173369371 /nfs/dbraw/zinc/36/93/71/173369371.db2.gz RBHMWYKESMNWSH-INIZCTEOSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499086 173369372 /nfs/dbraw/zinc/36/93/72/173369372.db2.gz RBHMWYKESMNWSH-INIZCTEOSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000071142135 173370243 /nfs/dbraw/zinc/37/02/43/173370243.db2.gz GOJNGFTZPBZAIT-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000071142135 173370245 /nfs/dbraw/zinc/37/02/45/173370245.db2.gz GOJNGFTZPBZAIT-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000039781774 173380735 /nfs/dbraw/zinc/38/07/35/173380735.db2.gz JHPLDBQHBYESJL-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1C ZINC000039781774 173380737 /nfs/dbraw/zinc/38/07/37/173380737.db2.gz JHPLDBQHBYESJL-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000053034820 173381606 /nfs/dbraw/zinc/38/16/06/173381606.db2.gz ACPOYIROVPCNPO-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000053034820 173381608 /nfs/dbraw/zinc/38/16/08/173381608.db2.gz ACPOYIROVPCNPO-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP COC1(C[NH2+]CC[NH+]2CCCCC2)CCCC1 ZINC000319440639 174000401 /nfs/dbraw/zinc/00/04/01/174000401.db2.gz LLUPHLYPPZGARD-UHFFFAOYSA-N 2 2 240.391 2.021 20 0 BEADLP COC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289104343 174028819 /nfs/dbraw/zinc/02/88/19/174028819.db2.gz MGILKKFLMBVXHQ-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284321502 174250095 /nfs/dbraw/zinc/25/00/95/174250095.db2.gz PTCFJZUASDRSFS-CABCVRRESA-N 2 2 248.370 2.058 20 0 BEADLP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284321502 174250097 /nfs/dbraw/zinc/25/00/97/174250097.db2.gz PTCFJZUASDRSFS-CABCVRRESA-N 2 2 248.370 2.058 20 0 BEADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000353452507 174290779 /nfs/dbraw/zinc/29/07/79/174290779.db2.gz ZYJQHSIEYAZDFX-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000353452507 174290781 /nfs/dbraw/zinc/29/07/81/174290781.db2.gz ZYJQHSIEYAZDFX-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326128 175081103 /nfs/dbraw/zinc/08/11/03/175081103.db2.gz RGDGZBJMMOTBDF-STQMWFEESA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000093394496 175094624 /nfs/dbraw/zinc/09/46/24/175094624.db2.gz PYWDXFYLXZGYRN-UHFFFAOYSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000093394496 175094627 /nfs/dbraw/zinc/09/46/27/175094627.db2.gz PYWDXFYLXZGYRN-UHFFFAOYSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063191501 175098956 /nfs/dbraw/zinc/09/89/56/175098956.db2.gz BFSJTJXCTAXWPK-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000063191501 175098957 /nfs/dbraw/zinc/09/89/57/175098957.db2.gz BFSJTJXCTAXWPK-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042544280 175177887 /nfs/dbraw/zinc/17/78/87/175177887.db2.gz RSDWWGYIGVLJDG-YPMHNXCESA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042544280 175177888 /nfs/dbraw/zinc/17/78/88/175177888.db2.gz RSDWWGYIGVLJDG-YPMHNXCESA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358407196 175189518 /nfs/dbraw/zinc/18/95/18/175189518.db2.gz REDRYPZOKKQSAQ-TYNCELHUSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358407196 175189519 /nfs/dbraw/zinc/18/95/19/175189519.db2.gz REDRYPZOKKQSAQ-TYNCELHUSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000063191524 175258868 /nfs/dbraw/zinc/25/88/68/175258868.db2.gz CQIAZQMTQQOZBZ-SWLSCSKDSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000063191524 175258869 /nfs/dbraw/zinc/25/88/69/175258869.db2.gz CQIAZQMTQQOZBZ-SWLSCSKDSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683863 175267776 /nfs/dbraw/zinc/26/77/76/175267776.db2.gz HIKGYGYHAFAJAD-ZDUSSCGKSA-N 2 2 246.354 2.022 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683863 175267778 /nfs/dbraw/zinc/26/77/78/175267778.db2.gz HIKGYGYHAFAJAD-ZDUSSCGKSA-N 2 2 246.354 2.022 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@H](C)C[NH+](C)C ZINC000342185267 175315860 /nfs/dbraw/zinc/31/58/60/175315860.db2.gz CHQDNZBONKQJTC-FNOHHLHBSA-N 2 2 248.370 2.248 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234884919 175344734 /nfs/dbraw/zinc/34/47/34/175344734.db2.gz TZCKRLHMEMARKH-VXGBXAGGSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358408257 175351464 /nfs/dbraw/zinc/35/14/64/175351464.db2.gz SIGVEXGEKQLSCX-OBJOEFQTSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358408254 175351666 /nfs/dbraw/zinc/35/16/66/175351666.db2.gz SIGVEXGEKQLSCX-DYEKYZERSA-N 2 2 248.370 2.296 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000130065623 175699060 /nfs/dbraw/zinc/69/90/60/175699060.db2.gz WNKXIZMTEHWPET-STQMWFEESA-N 2 2 220.360 2.330 20 0 BEADLP C[C@@H](C[NH2+]C1CCSCC1)[NH+]1CCCCC1 ZINC000038028886 175731783 /nfs/dbraw/zinc/73/17/83/175731783.db2.gz TYTFINKEKNNJPR-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H](F)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375709434 175786385 /nfs/dbraw/zinc/78/63/85/175786385.db2.gz FSNRGOOUQURZGO-SNVBAGLBSA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCS1 ZINC000270656595 487631880 /nfs/dbraw/zinc/63/18/80/487631880.db2.gz NGGPAFDOHDQHKZ-LBPRGKRZSA-N 2 2 239.388 2.019 20 0 BEADLP CC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCS1 ZINC000270656595 487631882 /nfs/dbraw/zinc/63/18/82/487631882.db2.gz NGGPAFDOHDQHKZ-LBPRGKRZSA-N 2 2 239.388 2.019 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000235189235 175887471 /nfs/dbraw/zinc/88/74/71/175887471.db2.gz DHPRGVVCQDGMFA-MFKMUULPSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC([NH3+])CC1 ZINC000034958694 176014478 /nfs/dbraw/zinc/01/44/78/176014478.db2.gz WUVKOJXLYBWORD-VIFPVBQESA-N 2 2 240.297 2.449 20 0 BEADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[NH2+]CC1 ZINC000022098719 176024841 /nfs/dbraw/zinc/02/48/41/176024841.db2.gz BELKYPKQNALTJJ-NSHDSACASA-N 2 2 222.307 2.182 20 0 BEADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[NH2+]CC1 ZINC000022098719 176024844 /nfs/dbraw/zinc/02/48/44/176024844.db2.gz BELKYPKQNALTJJ-NSHDSACASA-N 2 2 222.307 2.182 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000020125699 176088751 /nfs/dbraw/zinc/08/87/51/176088751.db2.gz ORPTVEVWAITWKA-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020126758 176080831 /nfs/dbraw/zinc/08/08/31/176080831.db2.gz WRAGCZRZLICCPC-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353241199 176145245 /nfs/dbraw/zinc/14/52/45/176145245.db2.gz LHTIRYWHWREZMT-WOPDTQHZSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353241199 176145246 /nfs/dbraw/zinc/14/52/46/176145246.db2.gz LHTIRYWHWREZMT-WOPDTQHZSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309733698 176151709 /nfs/dbraw/zinc/15/17/09/176151709.db2.gz BTEXGZKJEADTMA-OUAUKWLOSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309733698 176151711 /nfs/dbraw/zinc/15/17/11/176151711.db2.gz BTEXGZKJEADTMA-OUAUKWLOSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271694917 176175375 /nfs/dbraw/zinc/17/53/75/176175375.db2.gz ALQLDMKSUDDIRH-LLVKDONJSA-N 2 2 215.300 2.176 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271694917 176175378 /nfs/dbraw/zinc/17/53/78/176175378.db2.gz ALQLDMKSUDDIRH-LLVKDONJSA-N 2 2 215.300 2.176 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056408 176228284 /nfs/dbraw/zinc/22/82/84/176228284.db2.gz KPADEYLJJUXKPQ-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056408 176228286 /nfs/dbraw/zinc/22/82/86/176228286.db2.gz KPADEYLJJUXKPQ-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298641 176268872 /nfs/dbraw/zinc/26/88/72/176268872.db2.gz PVUIZJZJIBTBOO-DOMZBBRYSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298641 176268874 /nfs/dbraw/zinc/26/88/74/176268874.db2.gz PVUIZJZJIBTBOO-DOMZBBRYSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000275298641 176268875 /nfs/dbraw/zinc/26/88/75/176268875.db2.gz PVUIZJZJIBTBOO-DOMZBBRYSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(O)c1 ZINC000275298641 176268877 /nfs/dbraw/zinc/26/88/77/176268877.db2.gz PVUIZJZJIBTBOO-DOMZBBRYSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000309660555 176274256 /nfs/dbraw/zinc/27/42/56/176274256.db2.gz ASOFYBATEVLTJT-KSTCHIGDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000309660555 176274257 /nfs/dbraw/zinc/27/42/57/176274257.db2.gz ASOFYBATEVLTJT-KSTCHIGDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000339577740 176277591 /nfs/dbraw/zinc/27/75/91/176277591.db2.gz PEZTZVMAUJCBFX-JHJVBQTASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000339577740 176277593 /nfs/dbraw/zinc/27/75/93/176277593.db2.gz PEZTZVMAUJCBFX-JHJVBQTASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000339577739 176277783 /nfs/dbraw/zinc/27/77/83/176277783.db2.gz PEZTZVMAUJCBFX-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000339577739 176277784 /nfs/dbraw/zinc/27/77/84/176277784.db2.gz PEZTZVMAUJCBFX-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000358215774 176279011 /nfs/dbraw/zinc/27/90/11/176279011.db2.gz GDARKVFVPITLAR-WKPIXPDZSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000358215774 176279013 /nfs/dbraw/zinc/27/90/13/176279013.db2.gz GDARKVFVPITLAR-WKPIXPDZSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000309781869 176279206 /nfs/dbraw/zinc/27/92/06/176279206.db2.gz NBWOSEFISLKUFC-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000309781869 176279207 /nfs/dbraw/zinc/27/92/07/176279207.db2.gz NBWOSEFISLKUFC-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309747132 176281171 /nfs/dbraw/zinc/28/11/71/176281171.db2.gz FVSLNUITFLMFBL-KGYLQXTDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309747132 176281172 /nfs/dbraw/zinc/28/11/72/176281172.db2.gz FVSLNUITFLMFBL-KGYLQXTDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1[NH3+] ZINC000235400575 176302097 /nfs/dbraw/zinc/30/20/97/176302097.db2.gz MTKNLJRVFYUIET-MFKMUULPSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1[NH3+] ZINC000235400575 176302099 /nfs/dbraw/zinc/30/20/99/176302099.db2.gz MTKNLJRVFYUIET-MFKMUULPSA-N 2 2 230.311 2.212 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000328242475 487633360 /nfs/dbraw/zinc/63/33/60/487633360.db2.gz ISYSJDBAELWGFT-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]1[NH3+] ZINC000235402870 176304166 /nfs/dbraw/zinc/30/41/66/176304166.db2.gz ZMLMJMNKUOEURP-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]1[NH3+] ZINC000235402870 176304168 /nfs/dbraw/zinc/30/41/68/176304168.db2.gz ZMLMJMNKUOEURP-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000328242475 487633365 /nfs/dbraw/zinc/63/33/65/487633365.db2.gz ISYSJDBAELWGFT-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251769647 176304768 /nfs/dbraw/zinc/30/47/68/176304768.db2.gz MHQIEYUKEUYJGC-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251769647 176304769 /nfs/dbraw/zinc/30/47/69/176304769.db2.gz MHQIEYUKEUYJGC-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359526 176317049 /nfs/dbraw/zinc/31/70/49/176317049.db2.gz LYUXSFWYLHNOPS-BREBYQMCSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359526 176317051 /nfs/dbraw/zinc/31/70/51/176317051.db2.gz LYUXSFWYLHNOPS-BREBYQMCSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000355171265 176375726 /nfs/dbraw/zinc/37/57/26/176375726.db2.gz WTJFSBHKIJBACK-NXEZZACHSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000355171265 176375728 /nfs/dbraw/zinc/37/57/28/176375728.db2.gz WTJFSBHKIJBACK-NXEZZACHSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336782439 176396735 /nfs/dbraw/zinc/39/67/35/176396735.db2.gz XQJMHWFHJCRSQB-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336782439 176396736 /nfs/dbraw/zinc/39/67/36/176396736.db2.gz XQJMHWFHJCRSQB-UPJWGTAASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[NH+](C)C ZINC000336765781 176683304 /nfs/dbraw/zinc/68/33/04/176683304.db2.gz RNDDOMVCQBMQLG-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000053343817 177098194 /nfs/dbraw/zinc/09/81/94/177098194.db2.gz MYEPDGOJYMUEGK-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000053343817 177098195 /nfs/dbraw/zinc/09/81/95/177098195.db2.gz MYEPDGOJYMUEGK-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000245591280 177100355 /nfs/dbraw/zinc/10/03/55/177100355.db2.gz GIDRLHGHPJAAHO-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000245591280 177100357 /nfs/dbraw/zinc/10/03/57/177100357.db2.gz GIDRLHGHPJAAHO-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000334554147 177100503 /nfs/dbraw/zinc/10/05/03/177100503.db2.gz QSWCNMCRLBYVQN-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000334554147 177100504 /nfs/dbraw/zinc/10/05/04/177100504.db2.gz QSWCNMCRLBYVQN-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000335605297 177195156 /nfs/dbraw/zinc/19/51/56/177195156.db2.gz QPAWKSCAOJEUBS-JQWIXIFHSA-N 2 2 215.300 2.222 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000309455075 177237173 /nfs/dbraw/zinc/23/71/73/177237173.db2.gz NKVBABFJRJWXTE-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000309455075 177237174 /nfs/dbraw/zinc/23/71/74/177237174.db2.gz NKVBABFJRJWXTE-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644566 177240283 /nfs/dbraw/zinc/24/02/83/177240283.db2.gz NJZJMSMCIJIOSW-FZMZJTMJSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644566 177240284 /nfs/dbraw/zinc/24/02/84/177240284.db2.gz NJZJMSMCIJIOSW-FZMZJTMJSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000336783185 177242886 /nfs/dbraw/zinc/24/28/86/177242886.db2.gz ZQQQWRHJYIYOFQ-WCQYABFASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000336783185 177242888 /nfs/dbraw/zinc/24/28/88/177242888.db2.gz ZQQQWRHJYIYOFQ-WCQYABFASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000293415246 177262199 /nfs/dbraw/zinc/26/21/99/177262199.db2.gz MTTVJRTUCJZBLC-NWDGAFQWSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000293415246 177262201 /nfs/dbraw/zinc/26/22/01/177262201.db2.gz MTTVJRTUCJZBLC-NWDGAFQWSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000336662327 177313175 /nfs/dbraw/zinc/31/31/75/177313175.db2.gz KHCPTQMYQDWMBE-FRRDWIJNSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336662327 177313176 /nfs/dbraw/zinc/31/31/76/177313176.db2.gz KHCPTQMYQDWMBE-FRRDWIJNSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783308 177317857 /nfs/dbraw/zinc/31/78/57/177317857.db2.gz NLHWNDFAPVPTEC-MEBFFEOJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783308 177317859 /nfs/dbraw/zinc/31/78/59/177317859.db2.gz NLHWNDFAPVPTEC-MEBFFEOJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1F ZINC000131780418 177324989 /nfs/dbraw/zinc/32/49/89/177324989.db2.gz ZZAGONSXBHDTNQ-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1F ZINC000131780418 177324990 /nfs/dbraw/zinc/32/49/90/177324990.db2.gz ZZAGONSXBHDTNQ-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1C ZINC000093644764 177327929 /nfs/dbraw/zinc/32/79/29/177327929.db2.gz XOWUZAYHCKPZIB-JSGCOSHPSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000093644764 177327930 /nfs/dbraw/zinc/32/79/30/177327930.db2.gz XOWUZAYHCKPZIB-JSGCOSHPSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644764 177327931 /nfs/dbraw/zinc/32/79/31/177327931.db2.gz XOWUZAYHCKPZIB-JSGCOSHPSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644764 177327932 /nfs/dbraw/zinc/32/79/32/177327932.db2.gz XOWUZAYHCKPZIB-JSGCOSHPSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3c[nH+]cn3C)c2C[C@@H]1C ZINC000295082463 177388225 /nfs/dbraw/zinc/38/82/25/177388225.db2.gz DMTKQODXQGAPLA-MNOVXSKESA-N 2 2 244.342 2.036 20 0 BEADLP COC1(C[NH2+]C[C@H](C)[NH+](C)C)CCCCCC1 ZINC001652482898 1173090045 /nfs/dbraw/zinc/09/00/45/1173090045.db2.gz HZCQSJPKTIOUTC-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400384409 225118910 /nfs/dbraw/zinc/11/89/10/225118910.db2.gz LLPWSHKHTWSEHP-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccncc2)CCC[N@@H+]1C ZINC000487573197 225316311 /nfs/dbraw/zinc/31/63/11/225316311.db2.gz NBUMRNVZCCFCOP-UFYXKPLISA-N 2 2 245.370 2.167 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccncc2)CCC[N@H+]1C ZINC000487573197 225316314 /nfs/dbraw/zinc/31/63/14/225316314.db2.gz NBUMRNVZCCFCOP-UFYXKPLISA-N 2 2 245.370 2.167 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@@H]3C)CC2)c1 ZINC000488337746 225378820 /nfs/dbraw/zinc/37/88/20/225378820.db2.gz UKNJQVGAOAVHKL-UONOGXRCSA-N 2 2 245.370 2.168 20 0 BEADLP COCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400520004 226345672 /nfs/dbraw/zinc/34/56/72/226345672.db2.gz OAZUZLCXDDPNBQ-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400540702 226346070 /nfs/dbraw/zinc/34/60/70/226346070.db2.gz USUYENNMOZACLD-HUBLWGQQSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1cscc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400568319 226346552 /nfs/dbraw/zinc/34/65/52/226346552.db2.gz MYCOZKQIVAHRAO-JQWIXIFHSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228092 487655880 /nfs/dbraw/zinc/65/58/80/487655880.db2.gz MBJWNKOIURBKHT-LSKIRQOJSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(F)F ZINC000666228092 487655884 /nfs/dbraw/zinc/65/58/84/487655884.db2.gz MBJWNKOIURBKHT-LSKIRQOJSA-N 2 2 244.329 2.102 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC000328465347 487693219 /nfs/dbraw/zinc/69/32/19/487693219.db2.gz JALCGXQZGFMRMA-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC000328465347 487693226 /nfs/dbraw/zinc/69/32/26/487693226.db2.gz JALCGXQZGFMRMA-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716753 487700175 /nfs/dbraw/zinc/70/01/75/487700175.db2.gz MVOAFMCAOBKZLH-FZMZJTMJSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716753 487700178 /nfs/dbraw/zinc/70/01/78/487700178.db2.gz MVOAFMCAOBKZLH-FZMZJTMJSA-N 2 2 244.338 2.473 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000088162153 487707530 /nfs/dbraw/zinc/70/75/30/487707530.db2.gz NPAHVCVUELPQJF-AAEUAGOBSA-N 2 2 204.317 2.008 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000681052884 487708516 /nfs/dbraw/zinc/70/85/16/487708516.db2.gz YASLDMGVNWGWSJ-OCCSQVGLSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000681052884 487708520 /nfs/dbraw/zinc/70/85/20/487708520.db2.gz YASLDMGVNWGWSJ-OCCSQVGLSA-N 2 2 233.359 2.135 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)cc1C ZINC000233454304 487716812 /nfs/dbraw/zinc/71/68/12/487716812.db2.gz LHLJFZCVPWQPDO-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)cc1C ZINC000233454304 487716814 /nfs/dbraw/zinc/71/68/14/487716814.db2.gz LHLJFZCVPWQPDO-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088289149 487717436 /nfs/dbraw/zinc/71/74/36/487717436.db2.gz GWGPHCRJIMDDNR-LBPRGKRZSA-N 2 2 249.358 2.340 20 0 BEADLP C[C@H]1c2cccn2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182668594 487719053 /nfs/dbraw/zinc/71/90/53/487719053.db2.gz BOCKCDKBMLSHRQ-ZDUSSCGKSA-N 2 2 244.342 2.152 20 0 BEADLP C[C@H]1c2cccn2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182668594 487719055 /nfs/dbraw/zinc/71/90/55/487719055.db2.gz BOCKCDKBMLSHRQ-ZDUSSCGKSA-N 2 2 244.342 2.152 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000167944498 487719811 /nfs/dbraw/zinc/71/98/11/487719811.db2.gz DCIWCRHPIXNXTA-LBPRGKRZSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000167944498 487719814 /nfs/dbraw/zinc/71/98/14/487719814.db2.gz DCIWCRHPIXNXTA-LBPRGKRZSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H]1CC[C@@H](C)[NH+]1Cc1c[nH+]c2n1CCC2 ZINC000667698490 487722376 /nfs/dbraw/zinc/72/23/76/487722376.db2.gz DPJRKJLWSLBVFD-GHMZBOCLSA-N 2 2 219.332 2.202 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)CC1)[NH+](C)C ZINC000226500555 487753615 /nfs/dbraw/zinc/75/36/15/487753615.db2.gz OOEPYYYEHULEDG-AGIUHOORSA-N 2 2 212.381 2.495 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)C1(C)CCCC1 ZINC000459451870 487764092 /nfs/dbraw/zinc/76/40/92/487764092.db2.gz ZOQYHOOFERGPND-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)C1(C)CCCC1 ZINC000459451870 487764097 /nfs/dbraw/zinc/76/40/97/487764097.db2.gz ZOQYHOOFERGPND-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)CCC1CC1 ZINC000459405302 487763472 /nfs/dbraw/zinc/76/34/72/487763472.db2.gz RZEVZUFEECPJFH-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)CCC1CC1 ZINC000459405302 487763478 /nfs/dbraw/zinc/76/34/78/487763478.db2.gz RZEVZUFEECPJFH-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1F ZINC000414950788 487774268 /nfs/dbraw/zinc/77/42/68/487774268.db2.gz IAOSCCIUIHQJLL-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCC[C@H]1CCO1 ZINC000638547575 487776607 /nfs/dbraw/zinc/77/66/07/487776607.db2.gz GSQUAEJCPHZSDQ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000385689971 487795378 /nfs/dbraw/zinc/79/53/78/487795378.db2.gz DPFVCLBCZIXVAJ-OAHLLOKOSA-N 2 2 244.382 2.228 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000385689971 487795384 /nfs/dbraw/zinc/79/53/84/487795384.db2.gz DPFVCLBCZIXVAJ-OAHLLOKOSA-N 2 2 244.382 2.228 20 0 BEADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302119 487800428 /nfs/dbraw/zinc/80/04/28/487800428.db2.gz JTLLOVHRLMNNMX-UONOGXRCSA-N 2 2 249.358 2.007 20 0 BEADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302119 487800434 /nfs/dbraw/zinc/80/04/34/487800434.db2.gz JTLLOVHRLMNNMX-UONOGXRCSA-N 2 2 249.358 2.007 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cn1 ZINC000414932956 487830591 /nfs/dbraw/zinc/83/05/91/487830591.db2.gz TVNKFBJOIBUDCX-CQSZACIVSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000235648184 487832974 /nfs/dbraw/zinc/83/29/74/487832974.db2.gz UBIBNSPZWFWDQY-JSGCOSHPSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000235648184 487832980 /nfs/dbraw/zinc/83/29/80/487832980.db2.gz UBIBNSPZWFWDQY-JSGCOSHPSA-N 2 2 218.344 2.082 20 0 BEADLP C[C@H]1C[C@H](C)[NH+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668089969 487833364 /nfs/dbraw/zinc/83/33/64/487833364.db2.gz CMURSGUTXJGJRI-RYUDHWBXSA-N 2 2 242.326 2.250 20 0 BEADLP CCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373096906 487858655 /nfs/dbraw/zinc/85/86/55/487858655.db2.gz DZJXFAZFBDEEBS-GFCCVEGCSA-N 2 2 221.348 2.400 20 0 BEADLP CCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373096906 487858660 /nfs/dbraw/zinc/85/86/60/487858660.db2.gz DZJXFAZFBDEEBS-GFCCVEGCSA-N 2 2 221.348 2.400 20 0 BEADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000666783252 487879319 /nfs/dbraw/zinc/87/93/19/487879319.db2.gz PQWOYUDELDDRBC-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP c1ccc2c(c1)ccnc2C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000666783269 487879756 /nfs/dbraw/zinc/87/97/56/487879756.db2.gz SXQBTHDIJFSMGN-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP c1cc2cnccc2c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000666814197 487884576 /nfs/dbraw/zinc/88/45/76/487884576.db2.gz XZSBFELPCLGTIW-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1cscc1Cl)C1CC1 ZINC000666834283 487888313 /nfs/dbraw/zinc/88/83/13/487888313.db2.gz VWYUYXNEPIDRQF-SNVBAGLBSA-N 2 2 230.764 2.228 20 0 BEADLP CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666945489 487889488 /nfs/dbraw/zinc/88/94/88/487889488.db2.gz SMCAEVFTHNPIPU-RFGFWPKPSA-N 2 2 242.382 2.492 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cscc1Cl ZINC000666879631 487895368 /nfs/dbraw/zinc/89/53/68/487895368.db2.gz LFKZRNAMTOFAIT-LDYMZIIASA-N 2 2 244.791 2.489 20 0 BEADLP Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000164817092 487899301 /nfs/dbraw/zinc/89/93/01/487899301.db2.gz HXWUSTDMMDAVAL-GHMZBOCLSA-N 2 2 205.305 2.072 20 0 BEADLP CCOc1ccccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668537727 487902241 /nfs/dbraw/zinc/90/22/41/487902241.db2.gz MTETXMRLLIYNKD-UHFFFAOYSA-N 2 2 248.370 2.079 20 0 BEADLP CCOc1ccccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668537727 487902245 /nfs/dbraw/zinc/90/22/45/487902245.db2.gz MTETXMRLLIYNKD-UHFFFAOYSA-N 2 2 248.370 2.079 20 0 BEADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538408 487902815 /nfs/dbraw/zinc/90/28/15/487902815.db2.gz ZXCNARXOATVAIR-SMDDNHRTSA-N 2 2 248.370 2.396 20 0 BEADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538408 487902822 /nfs/dbraw/zinc/90/28/22/487902822.db2.gz ZXCNARXOATVAIR-SMDDNHRTSA-N 2 2 248.370 2.396 20 0 BEADLP C[N@@H+](Cc1ccc(Cl)s1)CC1C[NH+](C)C1 ZINC000668537791 487902940 /nfs/dbraw/zinc/90/29/40/487902940.db2.gz PAKHICHAPMPWHH-UHFFFAOYSA-N 2 2 244.791 2.395 20 0 BEADLP C[N@H+](Cc1ccc(Cl)s1)CC1C[NH+](C)C1 ZINC000668537791 487902943 /nfs/dbraw/zinc/90/29/43/487902943.db2.gz PAKHICHAPMPWHH-UHFFFAOYSA-N 2 2 244.791 2.395 20 0 BEADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946424 487909848 /nfs/dbraw/zinc/90/98/48/487909848.db2.gz BHDOHLZFGYEKPH-VOAKCMCISA-N 2 2 230.371 2.491 20 0 BEADLP CCCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946412 487910129 /nfs/dbraw/zinc/91/01/29/487910129.db2.gz AOHXXWSRUDJRHY-TUAOUCFPSA-N 2 2 216.344 2.245 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000083427823 487910790 /nfs/dbraw/zinc/91/07/90/487910790.db2.gz PGVDUCUULBKEHU-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC(C)(C)C1 ZINC000666946738 487911621 /nfs/dbraw/zinc/91/16/21/487911621.db2.gz OSIJVSYVKMBJDW-RVMXOQNASA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947820 487912199 /nfs/dbraw/zinc/91/21/99/487912199.db2.gz JOZGBKJKGXPLEL-RVMXOQNASA-N 2 2 228.355 2.101 20 0 BEADLP CCn1cc[nH+]c1CNc1ccccc1C[NH2+]C ZINC000560944291 322993632 /nfs/dbraw/zinc/99/36/32/322993632.db2.gz JTHUNPWRNWFAAL-UHFFFAOYSA-N 2 2 244.342 2.235 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)CC(F)(F)F)n1C ZINC000569622413 322998805 /nfs/dbraw/zinc/99/88/05/322998805.db2.gz IHWVHXVJZJHXLF-SSDOTTSWSA-N 2 2 235.253 2.159 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccon1 ZINC000566617239 323007320 /nfs/dbraw/zinc/00/73/20/323007320.db2.gz LUISTBWKJBWCOM-LLVKDONJSA-N 2 2 231.299 2.271 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000247050359 323012184 /nfs/dbraw/zinc/01/21/84/323012184.db2.gz NGJIVVDDBWBLFX-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000247050359 323012185 /nfs/dbraw/zinc/01/21/85/323012185.db2.gz NGJIVVDDBWBLFX-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc(C[NH2+]CCc2cc[nH+]cc2C)no1 ZINC000397517935 323032052 /nfs/dbraw/zinc/03/20/52/323032052.db2.gz AZLKANRNASAJPM-UHFFFAOYSA-N 2 2 231.299 2.019 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000569971565 323046107 /nfs/dbraw/zinc/04/61/07/323046107.db2.gz GYURAVYOLSUMEK-UXIGCNINSA-N 2 2 230.355 2.201 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000569971565 323046108 /nfs/dbraw/zinc/04/61/08/323046108.db2.gz GYURAVYOLSUMEK-UXIGCNINSA-N 2 2 230.355 2.201 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000408510593 323047017 /nfs/dbraw/zinc/04/70/17/323047017.db2.gz UJBVGVLIMSZVJQ-ZNMIVQPWSA-N 2 2 236.403 2.497 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000570098981 323049783 /nfs/dbraw/zinc/04/97/83/323049783.db2.gz LFURDBYWOLHMSS-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000570098981 323049784 /nfs/dbraw/zinc/04/97/84/323049784.db2.gz LFURDBYWOLHMSS-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000570528702 323062425 /nfs/dbraw/zinc/06/24/25/323062425.db2.gz AUQDAMMREIYRQI-NWDGAFQWSA-N 2 2 231.343 2.336 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000570528702 323062426 /nfs/dbraw/zinc/06/24/26/323062426.db2.gz AUQDAMMREIYRQI-NWDGAFQWSA-N 2 2 231.343 2.336 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H]1C ZINC000570775944 323069839 /nfs/dbraw/zinc/06/98/39/323069839.db2.gz NZASTMZPOYDQIK-WZRBSPASSA-N 2 2 233.359 2.354 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397867405 323099350 /nfs/dbraw/zinc/09/93/50/323099350.db2.gz AMJAVJILXSKAEQ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)o1 ZINC000531685876 323111018 /nfs/dbraw/zinc/11/10/18/323111018.db2.gz OIMZVNFJPLCUNY-IAQYHMDHSA-N 2 2 248.370 2.203 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)o1 ZINC000531685876 323111019 /nfs/dbraw/zinc/11/10/19/323111019.db2.gz OIMZVNFJPLCUNY-IAQYHMDHSA-N 2 2 248.370 2.203 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1F ZINC000414942583 323152168 /nfs/dbraw/zinc/15/21/68/323152168.db2.gz ZVADTHDMQQJYMH-QMTHXVAHSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)o1 ZINC000531939804 323155429 /nfs/dbraw/zinc/15/54/29/323155429.db2.gz CMPKOBLSPJGXMW-AAEUAGOBSA-N 2 2 248.370 2.345 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)o1 ZINC000531939804 323155430 /nfs/dbraw/zinc/15/54/30/323155430.db2.gz CMPKOBLSPJGXMW-AAEUAGOBSA-N 2 2 248.370 2.345 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1csnn1 ZINC000398383501 323185365 /nfs/dbraw/zinc/18/53/65/323185365.db2.gz UKEIYCQKRGERDI-SNVBAGLBSA-N 2 2 248.355 2.135 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H]2c2ccccn2)c[nH+]1 ZINC000536573227 323197973 /nfs/dbraw/zinc/19/79/73/323197973.db2.gz KPJQQTLFBWFJHY-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H]2c2ccccn2)c[nH+]1 ZINC000536573227 323197974 /nfs/dbraw/zinc/19/79/74/323197974.db2.gz KPJQQTLFBWFJHY-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000399238760 323201481 /nfs/dbraw/zinc/20/14/81/323201481.db2.gz FZODKODHOCKFTH-SECBINFHSA-N 2 2 230.764 2.228 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530218467 323217547 /nfs/dbraw/zinc/21/75/47/323217547.db2.gz WEOQTPLJGZMUCV-TZMCWYRMSA-N 2 2 245.370 2.325 20 0 BEADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042544029 323249177 /nfs/dbraw/zinc/24/91/77/323249177.db2.gz XUKGALSPUJRSFG-HIFRSBDPSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042544029 323249179 /nfs/dbraw/zinc/24/91/79/323249179.db2.gz XUKGALSPUJRSFG-HIFRSBDPSA-N 2 2 232.371 2.301 20 0 BEADLP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)co1 ZINC000532479185 323269826 /nfs/dbraw/zinc/26/98/26/323269826.db2.gz SSLSIIDLKKDIJF-UHFFFAOYSA-N 2 2 234.343 2.244 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000252192709 323527308 /nfs/dbraw/zinc/52/73/08/323527308.db2.gz VDAZLOCDTKUSLT-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP c1cn(CCCC[NH2+]C(C2CC2)C2CC2)c[nH+]1 ZINC000045094616 323836700 /nfs/dbraw/zinc/83/67/00/323836700.db2.gz UFYQLUUQNHWWOX-UHFFFAOYSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000227503942 487962238 /nfs/dbraw/zinc/96/22/38/487962238.db2.gz SVQQXSBCZXHYKP-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400796071 324168822 /nfs/dbraw/zinc/16/88/22/324168822.db2.gz SUWIYEUAVOZYPO-DOMZBBRYSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+](C)C1CC1 ZINC000529539632 324331117 /nfs/dbraw/zinc/33/11/17/324331117.db2.gz VEGDQDGJWZHPEH-ZJUUUORDSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+](C)C1CC1 ZINC000529539632 324331119 /nfs/dbraw/zinc/33/11/19/324331119.db2.gz VEGDQDGJWZHPEH-ZJUUUORDSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542650 324332709 /nfs/dbraw/zinc/33/27/09/324332709.db2.gz RAVAWSKZNQIKEI-MNOVXSKESA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC(F)(F)C1 ZINC000529542650 324332713 /nfs/dbraw/zinc/33/27/13/324332713.db2.gz RAVAWSKZNQIKEI-MNOVXSKESA-N 2 2 246.345 2.352 20 0 BEADLP CCO[C@@]1(C)C[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000529653655 324372355 /nfs/dbraw/zinc/37/23/55/324372355.db2.gz SYBKGTFDIJOXMZ-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP Cc1ncccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000530217789 324533550 /nfs/dbraw/zinc/53/35/50/324533550.db2.gz CKTJMYQSLZVUQZ-LLVKDONJSA-N 2 2 242.326 2.048 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccs1 ZINC000053388384 487964913 /nfs/dbraw/zinc/96/49/13/487964913.db2.gz FBABSMJCGDMCHE-VIFPVBQESA-N 2 2 210.346 2.151 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000130080311 325010965 /nfs/dbraw/zinc/01/09/65/325010965.db2.gz VDAZLOCDTKUSLT-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000130183772 325021952 /nfs/dbraw/zinc/02/19/52/325021952.db2.gz VESDSDPLAUHMIS-FPMFFAJLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C(C)C ZINC000131032403 325108070 /nfs/dbraw/zinc/10/80/70/325108070.db2.gz JENNFAOGFXQCGY-DGCLKSJQSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000131032403 325108074 /nfs/dbraw/zinc/10/80/74/325108074.db2.gz JENNFAOGFXQCGY-DGCLKSJQSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)C ZINC000131032879 325109832 /nfs/dbraw/zinc/10/98/32/325109832.db2.gz JENNFAOGFXQCGY-WCQYABFASA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000131032879 325109835 /nfs/dbraw/zinc/10/98/35/325109835.db2.gz JENNFAOGFXQCGY-WCQYABFASA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131126643 325120262 /nfs/dbraw/zinc/12/02/62/325120262.db2.gz QJJXHGQCOREGDN-GWCFXTLKSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131126643 325120264 /nfs/dbraw/zinc/12/02/64/325120264.db2.gz QJJXHGQCOREGDN-GWCFXTLKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@H](C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000133353002 325289613 /nfs/dbraw/zinc/28/96/13/325289613.db2.gz VMXUQCHFZZOJAC-CHWSQXEVSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1C[C@H](C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000133353002 325289615 /nfs/dbraw/zinc/28/96/15/325289615.db2.gz VMXUQCHFZZOJAC-CHWSQXEVSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1cc[nH+]c(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000134071929 325340955 /nfs/dbraw/zinc/34/09/55/325340955.db2.gz OLTRQHFVRVDGQD-JTQLQIEISA-N 2 2 216.288 2.297 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCC2CC(F)(F)C2)n1C ZINC000565241392 325885013 /nfs/dbraw/zinc/88/50/13/325885013.db2.gz DESYDBFCZOPIPO-UHFFFAOYSA-N 2 2 243.301 2.254 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000566678092 326073742 /nfs/dbraw/zinc/07/37/42/326073742.db2.gz PYLOLBKUKAIMRC-NMKXLXIOSA-N 2 2 240.366 2.339 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000566678092 326073745 /nfs/dbraw/zinc/07/37/45/326073745.db2.gz PYLOLBKUKAIMRC-NMKXLXIOSA-N 2 2 240.366 2.339 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC1(C)CC1)CCC2 ZINC000566891109 326091479 /nfs/dbraw/zinc/09/14/79/326091479.db2.gz VQTXOBTVNDZDMK-LBPRGKRZSA-N 2 2 233.359 2.459 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000572582625 326153294 /nfs/dbraw/zinc/15/32/94/326153294.db2.gz DWNDMZHKGNFHIX-INIZCTEOSA-N 2 2 244.382 2.085 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000572582625 326153297 /nfs/dbraw/zinc/15/32/97/326153297.db2.gz DWNDMZHKGNFHIX-INIZCTEOSA-N 2 2 244.382 2.085 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccoc1 ZINC000156588636 326236038 /nfs/dbraw/zinc/23/60/38/326236038.db2.gz RJCUMBXSTMAIGQ-GVXVVHGQSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccoc1 ZINC000156588636 326236039 /nfs/dbraw/zinc/23/60/39/326236039.db2.gz RJCUMBXSTMAIGQ-GVXVVHGQSA-N 2 2 222.332 2.413 20 0 BEADLP CC(C)c1[nH+]ccn1CCCc1c[nH+]cn1C ZINC000314110618 326291333 /nfs/dbraw/zinc/29/13/33/326291333.db2.gz CREATQSPZUZSRR-UHFFFAOYSA-N 2 2 232.331 2.373 20 0 BEADLP CC(C)C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000568275343 326339636 /nfs/dbraw/zinc/33/96/36/326339636.db2.gz OHXRXGHPEILXAB-CYBMUJFWSA-N 2 2 212.381 2.352 20 0 BEADLP CC[NH+](CC)[C@@H]1CCN(c2nc(C)[nH+]cc2C)C1 ZINC000568651140 326371274 /nfs/dbraw/zinc/37/12/74/326371274.db2.gz KLFZJOYVUWFUIL-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP C[NH+](C)C1(C[NH2+]C(C2CC2)C2CC2)CCC1 ZINC000165158719 326419676 /nfs/dbraw/zinc/41/96/76/326419676.db2.gz QVNNPGDFIGIBLB-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235765790 488013519 /nfs/dbraw/zinc/01/35/19/488013519.db2.gz GYVQDBQMHOHGSI-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C2CCCCC2)n1C ZINC000667472086 488017081 /nfs/dbraw/zinc/01/70/81/488017081.db2.gz XDBDEJFCEUZZDN-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)C2CCCCC2)n1C ZINC000667472086 488017086 /nfs/dbraw/zinc/01/70/86/488017086.db2.gz XDBDEJFCEUZZDN-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)CC(C)C ZINC000667503161 488031894 /nfs/dbraw/zinc/03/18/94/488031894.db2.gz BFKIPDCGDAOJFR-UHFFFAOYSA-N 2 2 209.337 2.206 20 0 BEADLP CC[N@H+](Cc1c[nH+]c(C)n1C)CC(C)C ZINC000667503161 488031896 /nfs/dbraw/zinc/03/18/96/488031896.db2.gz BFKIPDCGDAOJFR-UHFFFAOYSA-N 2 2 209.337 2.206 20 0 BEADLP CC[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667545126 488041317 /nfs/dbraw/zinc/04/13/17/488041317.db2.gz YCDMJJGIEOAJFM-NSHDSACASA-N 2 2 219.332 2.204 20 0 BEADLP Cc1[nH+]cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)n1C ZINC000667559558 488046703 /nfs/dbraw/zinc/04/67/03/488046703.db2.gz AVNLDNSLCFFNKX-UWVGGRQHSA-N 2 2 239.388 2.054 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667567792 488049016 /nfs/dbraw/zinc/04/90/16/488049016.db2.gz IEAZYNKUVNPHIU-NEPJUHHUSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667567792 488049019 /nfs/dbraw/zinc/04/90/19/488049019.db2.gz IEAZYNKUVNPHIU-NEPJUHHUSA-N 2 2 233.359 2.450 20 0 BEADLP CC1(C)CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667569767 488050446 /nfs/dbraw/zinc/05/04/46/488050446.db2.gz SHBIRIOXZXPCMJ-UHFFFAOYSA-N 2 2 219.332 2.204 20 0 BEADLP CC1(C)CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667569767 488050448 /nfs/dbraw/zinc/05/04/48/488050448.db2.gz SHBIRIOXZXPCMJ-UHFFFAOYSA-N 2 2 219.332 2.204 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccn2)CC1(C)C ZINC000084519280 488057043 /nfs/dbraw/zinc/05/70/43/488057043.db2.gz FXNAWHPZCGDJFC-LBPRGKRZSA-N 2 2 233.359 2.044 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccn2)CC1(C)C ZINC000084519280 488057050 /nfs/dbraw/zinc/05/70/50/488057050.db2.gz FXNAWHPZCGDJFC-LBPRGKRZSA-N 2 2 233.359 2.044 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC3(CCC3)C2)n1C ZINC000667644277 488067701 /nfs/dbraw/zinc/06/77/01/488067701.db2.gz CKVSEWOCFZEHAW-UHFFFAOYSA-N 2 2 219.332 2.105 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)n1C ZINC000667649645 488072974 /nfs/dbraw/zinc/07/29/74/488072974.db2.gz ZPDPZCTXZTZVPH-GHMZBOCLSA-N 2 2 221.348 2.206 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H](C3CC3)C1)CCC2 ZINC000667680500 488084279 /nfs/dbraw/zinc/08/42/79/488084279.db2.gz IOQOJMBRIVGMNC-GFCCVEGCSA-N 2 2 231.343 2.061 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H](C3CC3)C1)CCC2 ZINC000667680500 488084284 /nfs/dbraw/zinc/08/42/84/488084284.db2.gz IOQOJMBRIVGMNC-GFCCVEGCSA-N 2 2 231.343 2.061 20 0 BEADLP CC[C@](C)([NH2+]CC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000574863959 488085075 /nfs/dbraw/zinc/08/50/75/488085075.db2.gz RGRWAMDXGDVXTJ-ZJUUUORDSA-N 2 2 238.297 2.307 20 0 BEADLP Cc1ccnc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000683010003 488089814 /nfs/dbraw/zinc/08/98/14/488089814.db2.gz BEOOTMXSNPJAFD-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccnc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000683010003 488089815 /nfs/dbraw/zinc/08/98/15/488089815.db2.gz BEOOTMXSNPJAFD-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccnc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000683010003 488089820 /nfs/dbraw/zinc/08/98/20/488089820.db2.gz BEOOTMXSNPJAFD-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccnc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000683010003 488089822 /nfs/dbraw/zinc/08/98/22/488089822.db2.gz BEOOTMXSNPJAFD-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092347485 488090079 /nfs/dbraw/zinc/09/00/79/488090079.db2.gz ROTOHBPLEPOKHB-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092347485 488090086 /nfs/dbraw/zinc/09/00/86/488090086.db2.gz ROTOHBPLEPOKHB-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP Cc1ccnc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000683010619 488090676 /nfs/dbraw/zinc/09/06/76/488090676.db2.gz CIFDNNGOQCENOW-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccnc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000683010619 488090680 /nfs/dbraw/zinc/09/06/80/488090680.db2.gz CIFDNNGOQCENOW-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434248 488096962 /nfs/dbraw/zinc/09/69/62/488096962.db2.gz ZKVZSAFQNLLGAM-RFGFWPKPSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434248 488096964 /nfs/dbraw/zinc/09/69/64/488096964.db2.gz ZKVZSAFQNLLGAM-RFGFWPKPSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)C1(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000232664367 488123288 /nfs/dbraw/zinc/12/32/88/488123288.db2.gz DBOJCJRARFNSAY-UHFFFAOYSA-N 2 2 221.348 2.299 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321057881 488125862 /nfs/dbraw/zinc/12/58/62/488125862.db2.gz IBKZDAMVIYOATR-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000321057881 488125866 /nfs/dbraw/zinc/12/58/66/488125866.db2.gz IBKZDAMVIYOATR-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321057879 488125630 /nfs/dbraw/zinc/12/56/30/488125630.db2.gz IBKZDAMVIYOATR-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000321057879 488125636 /nfs/dbraw/zinc/12/56/36/488125636.db2.gz IBKZDAMVIYOATR-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@H]2C)C1 ZINC000321178371 488131164 /nfs/dbraw/zinc/13/11/64/488131164.db2.gz ZFTHSFUANFZGCZ-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@H]2C)C1 ZINC000321178371 488131172 /nfs/dbraw/zinc/13/11/72/488131172.db2.gz ZFTHSFUANFZGCZ-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000234975957 488132401 /nfs/dbraw/zinc/13/24/01/488132401.db2.gz DEIMLDYIZGMSLI-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000162111696 487538869 /nfs/dbraw/zinc/53/88/69/487538869.db2.gz YSFJQHKKPFUMFH-GFCCVEGCSA-N 2 2 206.333 2.001 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000162111575 487538882 /nfs/dbraw/zinc/53/88/82/487538882.db2.gz YSFJQHKKPFUMFH-LBPRGKRZSA-N 2 2 206.333 2.001 20 0 BEADLP C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000094528226 487539668 /nfs/dbraw/zinc/53/96/68/487539668.db2.gz PUZWJOGTPIELAJ-CQSZACIVSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000094528226 487539672 /nfs/dbraw/zinc/53/96/72/487539672.db2.gz PUZWJOGTPIELAJ-CQSZACIVSA-N 2 2 230.355 2.358 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000382236441 487534048 /nfs/dbraw/zinc/53/40/48/487534048.db2.gz QNKULYZYVGGAAP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000382236441 487534058 /nfs/dbraw/zinc/53/40/58/487534058.db2.gz QNKULYZYVGGAAP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726971 487535230 /nfs/dbraw/zinc/53/52/30/487535230.db2.gz YJTUTWDHPCLUPH-KGLIPLIRSA-N 2 2 218.344 2.335 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086726937 487535771 /nfs/dbraw/zinc/53/57/71/487535771.db2.gz ROSBIJUKRNXACO-FZMZJTMJSA-N 2 2 218.344 2.262 20 0 BEADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)C(C)C ZINC000668295674 487632044 /nfs/dbraw/zinc/63/20/44/487632044.db2.gz WPFDIKNYBCJDIO-UHFFFAOYSA-N 2 2 209.337 2.349 20 0 BEADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)C(C)C ZINC000668295674 487632046 /nfs/dbraw/zinc/63/20/46/487632046.db2.gz WPFDIKNYBCJDIO-UHFFFAOYSA-N 2 2 209.337 2.349 20 0 BEADLP Cc1cccc(N2CCC[C@H](n3cc[nH+]c3)C2)[nH+]1 ZINC000681208982 487748416 /nfs/dbraw/zinc/74/84/16/487748416.db2.gz QAKVYKRYODMJJX-ZDUSSCGKSA-N 2 2 242.326 2.428 20 0 BEADLP Cc1ccc(F)c(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668539666 487905469 /nfs/dbraw/zinc/90/54/69/487905469.db2.gz HMQOOHBDOAUXDL-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1ccc(F)c(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668539666 487905471 /nfs/dbraw/zinc/90/54/71/487905471.db2.gz HMQOOHBDOAUXDL-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000666946513 487908566 /nfs/dbraw/zinc/90/85/66/487908566.db2.gz GKMLRBTYERIFGB-QNWJLWSRSA-N 2 2 228.355 2.101 20 0 BEADLP Cc1cccc2[nH+]cc(C[N@@H+]3CC[C@H]4C[C@H]4C3)n21 ZINC000668675895 488095611 /nfs/dbraw/zinc/09/56/11/488095611.db2.gz ILVBSSILVDLWPN-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP Cc1cccc2[nH+]cc(C[N@H+]3CC[C@H]4C[C@H]4C3)n21 ZINC000668675895 488095613 /nfs/dbraw/zinc/09/56/13/488095613.db2.gz ILVBSSILVDLWPN-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@H]4C[C@H]4C3)n2c1 ZINC000668676722 488098938 /nfs/dbraw/zinc/09/89/38/488098938.db2.gz DXJJFLJTZPBEND-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@H]4C[C@H]4C3)n2c1 ZINC000668676722 488098943 /nfs/dbraw/zinc/09/89/43/488098943.db2.gz DXJJFLJTZPBEND-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP COC1(C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000683227940 488135207 /nfs/dbraw/zinc/13/52/07/488135207.db2.gz GXTOITMTUOBAKR-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000683227940 488135213 /nfs/dbraw/zinc/13/52/13/488135213.db2.gz GXTOITMTUOBAKR-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000258823472 488137140 /nfs/dbraw/zinc/13/71/40/488137140.db2.gz FLYUVNOSVINSME-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000259025071 488147069 /nfs/dbraw/zinc/14/70/69/488147069.db2.gz ZDQBICUEIPOROC-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088697 488151359 /nfs/dbraw/zinc/15/13/59/488151359.db2.gz NQBGHYABVUFMPQ-WVWOOGAGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088697 488151366 /nfs/dbraw/zinc/15/13/66/488151366.db2.gz NQBGHYABVUFMPQ-WVWOOGAGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CC1)C(C)(C)C ZINC000397912742 488170684 /nfs/dbraw/zinc/17/06/84/488170684.db2.gz BQFJYQSLEHVCSL-NSHDSACASA-N 2 2 212.381 2.352 20 0 BEADLP FC1(F)CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000259487047 488175713 /nfs/dbraw/zinc/17/57/13/488175713.db2.gz MXEXQXOTDQTLOG-UHFFFAOYSA-N 2 2 232.318 2.107 20 0 BEADLP FC1(F)CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000259487047 488175716 /nfs/dbraw/zinc/17/57/16/488175716.db2.gz MXEXQXOTDQTLOG-UHFFFAOYSA-N 2 2 232.318 2.107 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655688172 488189500 /nfs/dbraw/zinc/18/95/00/488189500.db2.gz OJSCMVCOVRXTHW-WOPDTQHZSA-N 2 2 239.388 2.145 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC3(CCC3)CC2)n1C ZINC000668147520 488209292 /nfs/dbraw/zinc/20/92/92/488209292.db2.gz KRKLPZWCCAAZPE-UHFFFAOYSA-N 2 2 233.359 2.495 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398805580 488224390 /nfs/dbraw/zinc/22/43/90/488224390.db2.gz PFTAJYGEQRDXBF-YPMHNXCESA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398805580 488224393 /nfs/dbraw/zinc/22/43/93/488224393.db2.gz PFTAJYGEQRDXBF-YPMHNXCESA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398805574 488224665 /nfs/dbraw/zinc/22/46/65/488224665.db2.gz PFTAJYGEQRDXBF-AAEUAGOBSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398805574 488224667 /nfs/dbraw/zinc/22/46/67/488224667.db2.gz PFTAJYGEQRDXBF-AAEUAGOBSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC[NH+](C)C ZINC000672616523 488261757 /nfs/dbraw/zinc/26/17/57/488261757.db2.gz DIXUXTCDLUASPD-SWLSCSKDSA-N 2 2 232.371 2.461 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000678596432 488270024 /nfs/dbraw/zinc/27/00/24/488270024.db2.gz QDBDXVUWKVBUJV-JSGCOSHPSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000678596432 488270027 /nfs/dbraw/zinc/27/00/27/488270027.db2.gz QDBDXVUWKVBUJV-JSGCOSHPSA-N 2 2 236.403 2.495 20 0 BEADLP Fc1c[nH+]ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000678787281 488282902 /nfs/dbraw/zinc/28/29/02/488282902.db2.gz HDYRKSYGBHKANL-UHFFFAOYSA-N 2 2 246.289 2.259 20 0 BEADLP FC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000684358957 488300596 /nfs/dbraw/zinc/30/05/96/488300596.db2.gz XDZSWWWRQVXTHL-NSHDSACASA-N 2 2 223.295 2.022 20 0 BEADLP FC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000684358957 488300597 /nfs/dbraw/zinc/30/05/97/488300597.db2.gz XDZSWWWRQVXTHL-NSHDSACASA-N 2 2 223.295 2.022 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC2(CO)CC2)c[nH+]1 ZINC000684404217 488307023 /nfs/dbraw/zinc/30/70/23/488307023.db2.gz ATKORGHTJPJEFK-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC2(CO)CC2)c[nH+]1 ZINC000684404217 488307024 /nfs/dbraw/zinc/30/70/24/488307024.db2.gz ATKORGHTJPJEFK-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP C[C@@H](CCCCO)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000679332303 488340965 /nfs/dbraw/zinc/34/09/65/488340965.db2.gz UJRNIGITZIWGGD-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C)c(C)c1 ZINC000049668697 490195353 /nfs/dbraw/zinc/19/53/53/490195353.db2.gz LGBVCMNDFZHQOC-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C)c(C)c1 ZINC000049668697 490195358 /nfs/dbraw/zinc/19/53/58/490195358.db2.gz LGBVCMNDFZHQOC-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000564825680 490201352 /nfs/dbraw/zinc/20/13/52/490201352.db2.gz CGMHWOZYCXKROB-DOMZBBRYSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210748 490225745 /nfs/dbraw/zinc/22/57/45/490225745.db2.gz WNTJGWUCHZSNGW-FAAHXZRKSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210748 490225746 /nfs/dbraw/zinc/22/57/46/490225746.db2.gz WNTJGWUCHZSNGW-FAAHXZRKSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1cc(C[NH2+]CCc2cc[nH+]cc2C)sn1 ZINC000404413041 490373394 /nfs/dbraw/zinc/37/33/94/490373394.db2.gz ZBPKPCUDUIDYGQ-UHFFFAOYSA-N 2 2 247.367 2.487 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389382515 490410116 /nfs/dbraw/zinc/41/01/16/490410116.db2.gz ICBURCUTZNJCNW-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389382515 490410121 /nfs/dbraw/zinc/41/01/21/490410121.db2.gz ICBURCUTZNJCNW-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1cc[nH+]c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000125247525 490422007 /nfs/dbraw/zinc/42/20/07/490422007.db2.gz YBLPLCDFRWLUED-VIFPVBQESA-N 2 2 202.261 2.286 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000578617391 490468580 /nfs/dbraw/zinc/46/85/80/490468580.db2.gz KXHZHTYZHWRYCS-XHDPSFHLSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000215830922 491121525 /nfs/dbraw/zinc/12/15/25/491121525.db2.gz QKDMRMPFRYALCX-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000215830922 491121526 /nfs/dbraw/zinc/12/15/26/491121526.db2.gz QKDMRMPFRYALCX-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538698 491127271 /nfs/dbraw/zinc/12/72/71/491127271.db2.gz AJAZHAXIQWLOSX-DZGCQCFKSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538698 491127272 /nfs/dbraw/zinc/12/72/72/491127272.db2.gz AJAZHAXIQWLOSX-DZGCQCFKSA-N 2 2 236.403 2.472 20 0 BEADLP C[N@@H+](Cc1cccc2cc[nH]c21)CC1C[NH+](C)C1 ZINC000668538758 491127359 /nfs/dbraw/zinc/12/73/59/491127359.db2.gz BWAVTJFCMLVHBU-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@H+](Cc1cccc2cc[nH]c21)CC1C[NH+](C)C1 ZINC000668538758 491127360 /nfs/dbraw/zinc/12/73/60/491127360.db2.gz BWAVTJFCMLVHBU-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668539599 491127467 /nfs/dbraw/zinc/12/74/67/491127467.db2.gz DUMZKQTVMDJCSJ-JKSUJKDBSA-N 2 2 244.382 2.284 20 0 BEADLP C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668539599 491127468 /nfs/dbraw/zinc/12/74/68/491127468.db2.gz DUMZKQTVMDJCSJ-JKSUJKDBSA-N 2 2 244.382 2.284 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000309020055 491142553 /nfs/dbraw/zinc/14/25/53/491142553.db2.gz WMNHVYAFIMQDMI-QWHCGFSZSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000309020055 491142554 /nfs/dbraw/zinc/14/25/54/491142554.db2.gz WMNHVYAFIMQDMI-QWHCGFSZSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000488300744 533721643 /nfs/dbraw/zinc/72/16/43/533721643.db2.gz SEXMOLUIHIVARY-DGAVXFQQSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000488300744 533721645 /nfs/dbraw/zinc/72/16/45/533721645.db2.gz SEXMOLUIHIVARY-DGAVXFQQSA-N 2 2 233.359 2.422 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309590359 517308741 /nfs/dbraw/zinc/30/87/41/517308741.db2.gz YWJGUBWDANRKBD-ZIAGYGMSSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cncs1 ZINC000133006886 518177108 /nfs/dbraw/zinc/17/71/08/518177108.db2.gz XCRGOAQUHBKVGP-UWVGGRQHSA-N 2 2 227.377 2.134 20 0 BEADLP CCC(CC)C[NH2+]CCCn1cc[nH+]c1 ZINC000034937283 521532146 /nfs/dbraw/zinc/53/21/46/521532146.db2.gz IVLNSWPUFHCMLV-UHFFFAOYSA-N 2 2 209.337 2.299 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000092327236 582855538 /nfs/dbraw/zinc/85/55/38/582855538.db2.gz DXYVTRILVWUOPD-SECBINFHSA-N 2 2 237.347 2.036 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000488437622 527629221 /nfs/dbraw/zinc/62/92/21/527629221.db2.gz ZOLLFWWBCJADAU-LFUGVXIPSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000488437622 527629229 /nfs/dbraw/zinc/62/92/29/527629229.db2.gz ZOLLFWWBCJADAU-LFUGVXIPSA-N 2 2 236.403 2.493 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000482826336 527932739 /nfs/dbraw/zinc/93/27/39/527932739.db2.gz MHQGRSVFXNEBGJ-DYEKYZERSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000482826336 527932743 /nfs/dbraw/zinc/93/27/43/527932743.db2.gz MHQGRSVFXNEBGJ-DYEKYZERSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000486924114 529081074 /nfs/dbraw/zinc/08/10/74/529081074.db2.gz BZQXKAOUGOSNFT-SJDLMVEWSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000486924114 529081075 /nfs/dbraw/zinc/08/10/75/529081075.db2.gz BZQXKAOUGOSNFT-SJDLMVEWSA-N 2 2 245.370 2.169 20 0 BEADLP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000173939063 534957616 /nfs/dbraw/zinc/95/76/16/534957616.db2.gz CFWBELFPXLKKLQ-OLZOCXBDSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000173939063 534957620 /nfs/dbraw/zinc/95/76/20/534957620.db2.gz CFWBELFPXLKKLQ-OLZOCXBDSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173939063 534957623 /nfs/dbraw/zinc/95/76/23/534957623.db2.gz CFWBELFPXLKKLQ-OLZOCXBDSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173939063 534957629 /nfs/dbraw/zinc/95/76/29/534957629.db2.gz CFWBELFPXLKKLQ-OLZOCXBDSA-N 2 2 210.365 2.344 20 0 BEADLP CC[NH+](CC)C1CCN(c2cccc[nH+]2)CC1 ZINC000361614589 535488284 /nfs/dbraw/zinc/48/82/84/535488284.db2.gz DLDZSDCXGQFHFQ-UHFFFAOYSA-N 2 2 233.359 2.392 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC1(C)C ZINC000086855710 535540710 /nfs/dbraw/zinc/54/07/10/535540710.db2.gz VJGRDYHDPHHRBW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCOC[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000348434799 535669804 /nfs/dbraw/zinc/66/98/04/535669804.db2.gz AFWWUCZBRLQRCH-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000251914693 535822026 /nfs/dbraw/zinc/82/20/26/535822026.db2.gz XYTVCYDNJUOPMY-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000262050246 536155876 /nfs/dbraw/zinc/15/58/76/536155876.db2.gz ZLVDTQIXRRUWQK-NSHDSACASA-N 2 2 236.359 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000262050246 536155878 /nfs/dbraw/zinc/15/58/78/536155878.db2.gz ZLVDTQIXRRUWQK-NSHDSACASA-N 2 2 236.359 2.037 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261569744 536179174 /nfs/dbraw/zinc/17/91/74/536179174.db2.gz GNHUXNCXIZFQHB-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261569744 536179179 /nfs/dbraw/zinc/17/91/79/536179179.db2.gz GNHUXNCXIZFQHB-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(F)C1 ZINC000334342711 536357153 /nfs/dbraw/zinc/35/71/53/536357153.db2.gz QFAFPKNFBQLHHS-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(F)C1 ZINC000334342711 536357154 /nfs/dbraw/zinc/35/71/54/536357154.db2.gz QFAFPKNFBQLHHS-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(F)C1 ZINC000334342711 536357159 /nfs/dbraw/zinc/35/71/59/536357159.db2.gz QFAFPKNFBQLHHS-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(F)C1 ZINC000334342711 536357160 /nfs/dbraw/zinc/35/71/60/536357160.db2.gz QFAFPKNFBQLHHS-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348754603 536375042 /nfs/dbraw/zinc/37/50/42/536375042.db2.gz BNKLHRRNSKOZIY-CQSZACIVSA-N 2 2 236.334 2.052 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348754603 536375045 /nfs/dbraw/zinc/37/50/45/536375045.db2.gz BNKLHRRNSKOZIY-CQSZACIVSA-N 2 2 236.334 2.052 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[NH+](CC)CC ZINC000893322448 583099953 /nfs/dbraw/zinc/09/99/53/583099953.db2.gz UNMGHZLAXMNLIV-LBPRGKRZSA-N 2 2 232.437 2.450 20 0 BEADLP Cc1cc([NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1N ZINC000853248399 588729247 /nfs/dbraw/zinc/72/92/47/588729247.db2.gz SWWOVJNUDQUUAK-MNOVXSKESA-N 2 2 219.332 2.259 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)c1 ZINC000854233266 588781542 /nfs/dbraw/zinc/78/15/42/588781542.db2.gz XMFYKEDXSWZRIW-NWDGAFQWSA-N 2 2 236.359 2.344 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892720978 582968079 /nfs/dbraw/zinc/96/80/79/582968079.db2.gz HZWUUJIBXDVHPT-LSDHHAIUSA-N 2 2 244.382 2.400 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892720978 582968081 /nfs/dbraw/zinc/96/80/81/582968081.db2.gz HZWUUJIBXDVHPT-LSDHHAIUSA-N 2 2 244.382 2.400 20 0 BEADLP Cc1cc(NCC[NH+]2CCC2)nc(C2CCC2)[nH+]1 ZINC000892952812 583017887 /nfs/dbraw/zinc/01/78/87/583017887.db2.gz KFNMJZRFIGLUQF-UHFFFAOYSA-N 2 2 246.358 2.170 20 0 BEADLP COc1cc[nH+]c(NCc2[nH+]ccn2C2CC2)c1 ZINC000893256479 583078971 /nfs/dbraw/zinc/07/89/71/583078971.db2.gz TXROBPNODSZCCA-UHFFFAOYSA-N 2 2 244.298 2.234 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000854231852 583083084 /nfs/dbraw/zinc/08/30/84/583083084.db2.gz JONOCIQFHFCSHP-FZMZJTMJSA-N 2 2 218.344 2.180 20 0 BEADLP Cc1ccc(O[C@@H](C)C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894307284 583417950 /nfs/dbraw/zinc/41/79/50/583417950.db2.gz DWIVNGPTANOPNQ-LBPRGKRZSA-N 2 2 245.326 2.275 20 0 BEADLP C[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)Oc1ccc(F)cc1 ZINC000894311819 583419463 /nfs/dbraw/zinc/41/94/63/583419463.db2.gz YUUIRLLMYUWGPU-JTQLQIEISA-N 2 2 249.289 2.106 20 0 BEADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1c[nH+]c[nH]1)CCC2 ZINC000894430997 583457686 /nfs/dbraw/zinc/45/76/86/583457686.db2.gz INQRTYLQGFUDFR-SNVBAGLBSA-N 2 2 248.355 2.342 20 0 BEADLP C[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)[NH+](C)C ZINC000894742245 583515702 /nfs/dbraw/zinc/51/57/02/583515702.db2.gz AIKJUBIPMJIQQG-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1coc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000894783415 583520978 /nfs/dbraw/zinc/52/09/78/583520978.db2.gz UALYBFXGTUGXJP-OCCSQVGLSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000894783415 583520980 /nfs/dbraw/zinc/52/09/80/583520980.db2.gz UALYBFXGTUGXJP-OCCSQVGLSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000894783415 583520983 /nfs/dbraw/zinc/52/09/83/583520983.db2.gz UALYBFXGTUGXJP-OCCSQVGLSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000894783415 583520986 /nfs/dbraw/zinc/52/09/86/583520986.db2.gz UALYBFXGTUGXJP-OCCSQVGLSA-N 2 2 236.359 2.360 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000894862211 583534967 /nfs/dbraw/zinc/53/49/67/583534967.db2.gz UFUOLHPSCLFPOX-NWDGAFQWSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000894862211 583534970 /nfs/dbraw/zinc/53/49/70/583534970.db2.gz UFUOLHPSCLFPOX-NWDGAFQWSA-N 2 2 242.326 2.108 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2CSc3ccccc32)c[nH+]1 ZINC000894869443 583539755 /nfs/dbraw/zinc/53/97/55/583539755.db2.gz WQMZNTQNOPRJAM-SNVBAGLBSA-N 2 2 245.351 2.389 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c[nH+]1 ZINC000894987972 583564997 /nfs/dbraw/zinc/56/49/97/583564997.db2.gz WOGQUIPPFKKJQU-AAEUAGOBSA-N 2 2 219.332 2.326 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC1CC1)C21CCC1 ZINC000895068264 583578474 /nfs/dbraw/zinc/57/84/74/583578474.db2.gz PYLWCYLEBYXZKV-UHFFFAOYSA-N 2 2 217.316 2.057 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CC1CC1)C21CCC1 ZINC000895068264 583578475 /nfs/dbraw/zinc/57/84/75/583578475.db2.gz PYLWCYLEBYXZKV-UHFFFAOYSA-N 2 2 217.316 2.057 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+]C[C@]1(C)CC1(F)F ZINC000895273830 583635334 /nfs/dbraw/zinc/63/53/34/583635334.db2.gz JSYZQZYCITVDDA-NSHDSACASA-N 2 2 241.285 2.107 20 0 BEADLP C[C@@H](CC[NH2+]Cc1nc(Cl)cs1)[NH+](C)C ZINC000895291737 583637279 /nfs/dbraw/zinc/63/72/79/583637279.db2.gz CFKCFGJEWCFWNR-QMMMGPOBSA-N 2 2 247.795 2.226 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@@H](C)[NH+](C)C)c[nH+]1 ZINC000895292974 583639212 /nfs/dbraw/zinc/63/92/12/583639212.db2.gz FBPNIUYUSDTLOE-CQSZACIVSA-N 3 2 249.402 2.252 20 0 BEADLP FC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000895547146 583686823 /nfs/dbraw/zinc/68/68/23/583686823.db2.gz NMKJMAFFCIHNMC-UHFFFAOYSA-N 2 2 233.290 2.268 20 0 BEADLP COC[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000895622674 583697730 /nfs/dbraw/zinc/69/77/30/583697730.db2.gz ISFWLNWTZGBRJR-OTVXOJSOSA-N 2 2 248.370 2.337 20 0 BEADLP C[N@H+]1CC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000895770017 583724089 /nfs/dbraw/zinc/72/40/89/583724089.db2.gz YGHIGRYUFGYRHO-VIFPVBQESA-N 2 2 233.340 2.412 20 0 BEADLP C[N@H+]1CC[C@@H]1CNc1cc[nH+]c2ccsc21 ZINC000895769994 583724231 /nfs/dbraw/zinc/72/42/31/583724231.db2.gz YGHIGRYUFGYRHO-SECBINFHSA-N 2 2 233.340 2.412 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000896298430 583789855 /nfs/dbraw/zinc/78/98/55/583789855.db2.gz JOKQNMULIREBDP-UGFHNGPFSA-N 2 2 245.370 2.426 20 0 BEADLP Cc1ccc(NCCNc2cc[nH+]c(C)n2)[nH+]c1 ZINC000896455682 583803264 /nfs/dbraw/zinc/80/32/64/583803264.db2.gz HTSOVXZGJLDTCH-UHFFFAOYSA-N 2 2 243.314 2.012 20 0 BEADLP C[C@H]1[C@@H]([NH2+]CC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000896555564 583811601 /nfs/dbraw/zinc/81/16/01/583811601.db2.gz OPRMNVFOZGQDSW-LRDDRELGSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@H]1[C@@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000896555564 583811603 /nfs/dbraw/zinc/81/16/03/583811603.db2.gz OPRMNVFOZGQDSW-LRDDRELGSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000896555565 583811815 /nfs/dbraw/zinc/81/18/15/583811815.db2.gz OPRMNVFOZGQDSW-MLGOLLRUSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000896555565 583811816 /nfs/dbraw/zinc/81/18/16/583811816.db2.gz OPRMNVFOZGQDSW-MLGOLLRUSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000896558631 583812793 /nfs/dbraw/zinc/81/27/93/583812793.db2.gz PGJPIEQZJSNZCZ-DTZQCDIJSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000896558631 583812794 /nfs/dbraw/zinc/81/27/94/583812794.db2.gz PGJPIEQZJSNZCZ-DTZQCDIJSA-N 2 2 244.382 2.472 20 0 BEADLP CCn1c[nH+]c2c1CCN(c1cc[nH+]c(C)c1)C2 ZINC000896660048 583820780 /nfs/dbraw/zinc/82/07/80/583820780.db2.gz IWXYXVIZICWNRH-UHFFFAOYSA-N 2 2 242.326 2.169 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000840721719 583920625 /nfs/dbraw/zinc/92/06/25/583920625.db2.gz WFBVPVUEXIQMLW-CHWSQXEVSA-N 2 2 248.370 2.358 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000840721719 583920627 /nfs/dbraw/zinc/92/06/27/583920627.db2.gz WFBVPVUEXIQMLW-CHWSQXEVSA-N 2 2 248.370 2.358 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1C[C@@H]1C ZINC000840725406 583934006 /nfs/dbraw/zinc/93/40/06/583934006.db2.gz AFLXCSBUCLNGSD-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1C[C@@H]1C ZINC000840725406 583934008 /nfs/dbraw/zinc/93/40/08/583934008.db2.gz AFLXCSBUCLNGSD-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000841020744 584021508 /nfs/dbraw/zinc/02/15/08/584021508.db2.gz UWPKTVVSYZWOMA-ZDUSSCGKSA-N 2 2 247.386 2.259 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000841020744 584021509 /nfs/dbraw/zinc/02/15/09/584021509.db2.gz UWPKTVVSYZWOMA-ZDUSSCGKSA-N 2 2 247.386 2.259 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000865734238 584027609 /nfs/dbraw/zinc/02/76/09/584027609.db2.gz ORWMKABWEMLCMV-KQXIARHKSA-N 2 2 240.416 2.095 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000865734238 584027611 /nfs/dbraw/zinc/02/76/11/584027611.db2.gz ORWMKABWEMLCMV-KQXIARHKSA-N 2 2 240.416 2.095 20 0 BEADLP FC1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000897983035 584071927 /nfs/dbraw/zinc/07/19/27/584071927.db2.gz WEQCDQHWOPIORK-UHFFFAOYSA-N 2 2 226.339 2.095 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CC1 ZINC000898032298 584077159 /nfs/dbraw/zinc/07/71/59/584077159.db2.gz ZHHYGRONBKGLIX-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CC1 ZINC000898032298 584077160 /nfs/dbraw/zinc/07/71/60/584077160.db2.gz ZHHYGRONBKGLIX-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C ZINC000898316287 584110981 /nfs/dbraw/zinc/11/09/81/584110981.db2.gz OGYWXLJQVDFWDZ-FRRDWIJNSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C ZINC000898316286 584110839 /nfs/dbraw/zinc/11/08/39/584110839.db2.gz OGYWXLJQVDFWDZ-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000898313961 584111145 /nfs/dbraw/zinc/11/11/45/584111145.db2.gz JAPFNEWCROJBST-HZSPNIEDSA-N 2 2 242.407 2.120 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000902415835 584590122 /nfs/dbraw/zinc/59/01/22/584590122.db2.gz KSEGOELLVGTATF-MRVPVSSYSA-N 2 2 239.388 2.156 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1F ZINC000902418622 584591521 /nfs/dbraw/zinc/59/15/21/584591521.db2.gz XNRPTFSAADWARG-GFCCVEGCSA-N 2 2 240.297 2.497 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434335 584596055 /nfs/dbraw/zinc/59/60/55/584596055.db2.gz NMDJJZNHUXHBSA-AQNFWKISSA-N 2 2 230.355 2.389 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440303 584597205 /nfs/dbraw/zinc/59/72/05/584597205.db2.gz YTUOMEOWOJZRNY-AQNFWKISSA-N 2 2 230.355 2.389 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902442060 584597731 /nfs/dbraw/zinc/59/77/31/584597731.db2.gz HYTXUCYEXJJAIV-DGCLKSJQSA-N 2 2 233.359 2.039 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(F)c1 ZINC000902472877 584601084 /nfs/dbraw/zinc/60/10/84/584601084.db2.gz KFBUHVPPEBOTRL-WBMYTEFPSA-N 2 2 234.318 2.369 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902447392 584604695 /nfs/dbraw/zinc/60/46/95/584604695.db2.gz UHIBQLILBZHEJV-KOLCDFICSA-N 2 2 224.373 2.397 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c(C)n1 ZINC000902451294 584606560 /nfs/dbraw/zinc/60/65/60/584606560.db2.gz WABXWLKAONOSGT-JSGCOSHPSA-N 2 2 247.386 2.347 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccs1 ZINC000902469672 584615469 /nfs/dbraw/zinc/61/54/69/584615469.db2.gz ZYDKNQUERCMRLY-LMLFDSFASA-N 2 2 222.357 2.292 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902482452 584624021 /nfs/dbraw/zinc/62/40/21/584624021.db2.gz LFXNFHLJSWABSI-GXTWGEPZSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccoc1 ZINC000902481710 584624101 /nfs/dbraw/zinc/62/41/01/584624101.db2.gz FYWQUTOWMPLVGF-YPMHNXCESA-N 2 2 222.332 2.462 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccoc1 ZINC000902481709 584624290 /nfs/dbraw/zinc/62/42/90/584624290.db2.gz FYWQUTOWMPLVGF-WCQYABFASA-N 2 2 222.332 2.462 20 0 BEADLP [NH3+][C@@H]1C[C@@H]([NH2+]C/C=C/Cl)c2ccccc21 ZINC000902522876 584632152 /nfs/dbraw/zinc/63/21/52/584632152.db2.gz ZBJDLMKBXXWILV-JKNNBXRXSA-N 2 2 222.719 2.473 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000902718936 584657686 /nfs/dbraw/zinc/65/76/86/584657686.db2.gz JKFRKXIOPKTKES-YIYPIFLZSA-N 2 2 242.407 2.118 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902785197 584666495 /nfs/dbraw/zinc/66/64/95/584666495.db2.gz BPZZMAPOCZDUIO-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902785197 584666496 /nfs/dbraw/zinc/66/64/96/584666496.db2.gz BPZZMAPOCZDUIO-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[NH+](C)C ZINC000902792478 584673596 /nfs/dbraw/zinc/67/35/96/584673596.db2.gz AIKJUBIPMJIQQG-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000903021995 584720574 /nfs/dbraw/zinc/72/05/74/584720574.db2.gz DWABFFBTRJZGKP-CLLJXQQHSA-N 2 2 222.376 2.249 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000903198595 584734759 /nfs/dbraw/zinc/73/47/59/584734759.db2.gz MWXWXNZIEUIRMC-CYBMUJFWSA-N 2 2 233.359 2.426 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000903198355 584735060 /nfs/dbraw/zinc/73/50/60/584735060.db2.gz JOKQNMULIREBDP-NILFDRSVSA-N 2 2 245.370 2.426 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(N(C)C)cc[nH+]2)C1 ZINC000903201246 584735460 /nfs/dbraw/zinc/73/54/60/584735460.db2.gz GYSIDSLMRWDWRG-NEPJUHHUSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000903252542 584739012 /nfs/dbraw/zinc/73/90/12/584739012.db2.gz DTYGYJWOSXHQMR-WYSIXCFFSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000903252542 584739013 /nfs/dbraw/zinc/73/90/13/584739013.db2.gz DTYGYJWOSXHQMR-WYSIXCFFSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000903253958 584739437 /nfs/dbraw/zinc/73/94/37/584739437.db2.gz NBNYTIKFXXYXJU-ISRNLREGSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000903253958 584739439 /nfs/dbraw/zinc/73/94/39/584739439.db2.gz NBNYTIKFXXYXJU-ISRNLREGSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CC[N@@H+]1C ZINC000903299411 584743968 /nfs/dbraw/zinc/74/39/68/584743968.db2.gz AZUBEPLJLVVCMO-ZRJCITRHSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CC[N@H+]1C ZINC000903299411 584743970 /nfs/dbraw/zinc/74/39/70/584743970.db2.gz AZUBEPLJLVVCMO-ZRJCITRHSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300820 584744103 /nfs/dbraw/zinc/74/41/03/584744103.db2.gz LRNSTEJVGBLFHI-NFAWXSAZSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300820 584744104 /nfs/dbraw/zinc/74/41/04/584744104.db2.gz LRNSTEJVGBLFHI-NFAWXSAZSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300383 584744262 /nfs/dbraw/zinc/74/42/62/584744262.db2.gz HPWNRCQBJHWXGI-VOAKCMCISA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300383 584744264 /nfs/dbraw/zinc/74/42/64/584744264.db2.gz HPWNRCQBJHWXGI-VOAKCMCISA-N 2 2 210.365 2.103 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC000903301334 584745075 /nfs/dbraw/zinc/74/50/75/584745075.db2.gz OXJQXZCWVHGYGL-GZBFAFLISA-N 2 2 247.386 2.442 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC000903301334 584745076 /nfs/dbraw/zinc/74/50/76/584745076.db2.gz OXJQXZCWVHGYGL-GZBFAFLISA-N 2 2 247.386 2.442 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301207 584745120 /nfs/dbraw/zinc/74/51/20/584745120.db2.gz OMUGCQLXADTXKZ-BBBLOLIVSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301207 584745121 /nfs/dbraw/zinc/74/51/21/584745121.db2.gz OMUGCQLXADTXKZ-BBBLOLIVSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC000903303047 584745445 /nfs/dbraw/zinc/74/54/45/584745445.db2.gz JIIOXGIMGXEBDY-ONERCXAPSA-N 2 2 248.345 2.495 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC000903303047 584745446 /nfs/dbraw/zinc/74/54/46/584745446.db2.gz JIIOXGIMGXEBDY-ONERCXAPSA-N 2 2 248.345 2.495 20 0 BEADLP c1cc2c(s1)CCC[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903435079 584762135 /nfs/dbraw/zinc/76/21/35/584762135.db2.gz MYRIOXZNYFUORL-GFCCVEGCSA-N 2 2 236.384 2.248 20 0 BEADLP c1cc2c(s1)CCC[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000903435079 584762136 /nfs/dbraw/zinc/76/21/36/584762136.db2.gz MYRIOXZNYFUORL-GFCCVEGCSA-N 2 2 236.384 2.248 20 0 BEADLP Oc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903432797 584762287 /nfs/dbraw/zinc/76/22/87/584762287.db2.gz KWKZJVUXBKZTIR-HIFRSBDPSA-N 2 2 246.354 2.281 20 0 BEADLP Oc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903432797 584762288 /nfs/dbraw/zinc/76/22/88/584762288.db2.gz KWKZJVUXBKZTIR-HIFRSBDPSA-N 2 2 246.354 2.281 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439536 584762889 /nfs/dbraw/zinc/76/28/89/584762889.db2.gz JVSLUFYULHOBSS-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439536 584762891 /nfs/dbraw/zinc/76/28/91/584762891.db2.gz JVSLUFYULHOBSS-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)n1 ZINC000903470722 584774983 /nfs/dbraw/zinc/77/49/83/584774983.db2.gz CEEONGYXYPUOIN-AWEZNQCLSA-N 2 2 245.370 2.073 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000903545546 584781882 /nfs/dbraw/zinc/78/18/82/584781882.db2.gz UEJVAOVQEDJOHQ-IHRRRGAJSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000903545546 584781883 /nfs/dbraw/zinc/78/18/83/584781883.db2.gz UEJVAOVQEDJOHQ-IHRRRGAJSA-N 2 2 240.391 2.005 20 0 BEADLP CC1(C)C[N@H+](CCCCC(F)(F)F)C[C@@H]1[NH3+] ZINC000903556572 584782924 /nfs/dbraw/zinc/78/29/24/584782924.db2.gz AGLXUGURCVJVGZ-VIFPVBQESA-N 2 2 238.297 2.388 20 0 BEADLP CC1(C)C[N@@H+](CCCCC(F)(F)F)C[C@@H]1[NH3+] ZINC000903556572 584782926 /nfs/dbraw/zinc/78/29/26/584782926.db2.gz AGLXUGURCVJVGZ-VIFPVBQESA-N 2 2 238.297 2.388 20 0 BEADLP C[NH2+]CC[N@H+](CCN(C)c1ccccc1)C(C)C ZINC000903573012 584783984 /nfs/dbraw/zinc/78/39/84/584783984.db2.gz MDEYLGJUCHVARA-UHFFFAOYSA-N 2 2 249.402 2.053 20 0 BEADLP C[NH2+]CC[N@@H+](CCN(C)c1ccccc1)C(C)C ZINC000903573012 584783985 /nfs/dbraw/zinc/78/39/85/584783985.db2.gz MDEYLGJUCHVARA-UHFFFAOYSA-N 2 2 249.402 2.053 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1CF ZINC000903713130 584793354 /nfs/dbraw/zinc/79/33/54/584793354.db2.gz GCAZTKOQUWWHFO-CQSZACIVSA-N 2 2 236.334 2.469 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1CF ZINC000903713130 584793355 /nfs/dbraw/zinc/79/33/55/584793355.db2.gz GCAZTKOQUWWHFO-CQSZACIVSA-N 2 2 236.334 2.469 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903713293 584793822 /nfs/dbraw/zinc/79/38/22/584793822.db2.gz LTZBVIQZAGNWDV-KPFVRQRISA-N 2 2 210.365 2.234 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903713293 584793823 /nfs/dbraw/zinc/79/38/23/584793823.db2.gz LTZBVIQZAGNWDV-KPFVRQRISA-N 2 2 210.365 2.234 20 0 BEADLP C[N@H+](Cc1ccccc1CF)C1(C[NH3+])CCC1 ZINC000903750116 584794747 /nfs/dbraw/zinc/79/47/47/584794747.db2.gz VDUYSAFVACYKCR-UHFFFAOYSA-N 2 2 236.334 2.469 20 0 BEADLP C[N@@H+](Cc1ccccc1CF)C1(C[NH3+])CCC1 ZINC000903750116 584794748 /nfs/dbraw/zinc/79/47/48/584794748.db2.gz VDUYSAFVACYKCR-UHFFFAOYSA-N 2 2 236.334 2.469 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1CF)C2 ZINC000903770227 584797927 /nfs/dbraw/zinc/79/79/27/584797927.db2.gz UGBFFDJSPSWHIJ-LSDHHAIUSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1CF)C2 ZINC000903770227 584797929 /nfs/dbraw/zinc/79/79/29/584797929.db2.gz UGBFFDJSPSWHIJ-LSDHHAIUSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1CF)C2 ZINC000903770199 584798353 /nfs/dbraw/zinc/79/83/53/584798353.db2.gz UGBFFDJSPSWHIJ-GJZGRUSLSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1CF)C2 ZINC000903770199 584798354 /nfs/dbraw/zinc/79/83/54/584798354.db2.gz UGBFFDJSPSWHIJ-GJZGRUSLSA-N 2 2 248.345 2.469 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903786115 584800179 /nfs/dbraw/zinc/80/01/79/584800179.db2.gz DQSIDDVUXQTRAF-BPCQOVAHSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903786115 584800181 /nfs/dbraw/zinc/80/01/81/584800181.db2.gz DQSIDDVUXQTRAF-BPCQOVAHSA-N 2 2 210.365 2.106 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CC1CCCC1 ZINC000903796522 584801050 /nfs/dbraw/zinc/80/10/50/584801050.db2.gz ADJMGRQOMXIAIX-KGLIPLIRSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CC1CCCC1 ZINC000903796522 584801052 /nfs/dbraw/zinc/80/10/52/584801052.db2.gz ADJMGRQOMXIAIX-KGLIPLIRSA-N 2 2 222.376 2.380 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799780 584801364 /nfs/dbraw/zinc/80/13/64/584801364.db2.gz SNIDZJCIGYYVGS-XQQFMLRXSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799780 584801365 /nfs/dbraw/zinc/80/13/65/584801365.db2.gz SNIDZJCIGYYVGS-XQQFMLRXSA-N 2 2 210.365 2.236 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCCCCF ZINC000903799515 584801376 /nfs/dbraw/zinc/80/13/76/584801376.db2.gz CRCGPBPXQDLJNF-OLZOCXBDSA-N 2 2 228.355 2.330 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCCCCF ZINC000903799515 584801377 /nfs/dbraw/zinc/80/13/77/584801377.db2.gz CRCGPBPXQDLJNF-OLZOCXBDSA-N 2 2 228.355 2.330 20 0 BEADLP C=C/C=C\CC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799121 584801780 /nfs/dbraw/zinc/80/17/80/584801780.db2.gz BLAQVOYMOMQUHF-JHZNUDOXSA-N 2 2 220.360 2.322 20 0 BEADLP C=C/C=C\CC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799121 584801781 /nfs/dbraw/zinc/80/17/81/584801781.db2.gz BLAQVOYMOMQUHF-JHZNUDOXSA-N 2 2 220.360 2.322 20 0 BEADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccon2)CCC1 ZINC000903810352 584803505 /nfs/dbraw/zinc/80/35/05/584803505.db2.gz BHOAKEOLVLZWKE-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccon2)CCC1 ZINC000903810352 584803506 /nfs/dbraw/zinc/80/35/06/584803506.db2.gz BHOAKEOLVLZWKE-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000903850282 584807979 /nfs/dbraw/zinc/80/79/79/584807979.db2.gz NRZKNSGAZPHWHM-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000903850282 584807980 /nfs/dbraw/zinc/80/79/80/584807980.db2.gz NRZKNSGAZPHWHM-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000903850285 584808250 /nfs/dbraw/zinc/80/82/50/584808250.db2.gz NRZKNSGAZPHWHM-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000903850285 584808251 /nfs/dbraw/zinc/80/82/51/584808251.db2.gz NRZKNSGAZPHWHM-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP COc1cccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903856842 584810220 /nfs/dbraw/zinc/81/02/20/584810220.db2.gz BHYFAHMKAXYUJT-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903856842 584810221 /nfs/dbraw/zinc/81/02/21/584810221.db2.gz BHYFAHMKAXYUJT-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903859860 584811204 /nfs/dbraw/zinc/81/12/04/584811204.db2.gz PEHYJLYAXCQQJS-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903859860 584811205 /nfs/dbraw/zinc/81/12/05/584811205.db2.gz PEHYJLYAXCQQJS-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCc1cccc(F)c1 ZINC000903864737 584812973 /nfs/dbraw/zinc/81/29/73/584812973.db2.gz WKZLYQXGNXTTAV-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCc1cccc(F)c1 ZINC000903864737 584812975 /nfs/dbraw/zinc/81/29/75/584812975.db2.gz WKZLYQXGNXTTAV-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCc1cccc(F)c1 ZINC000903864734 584812979 /nfs/dbraw/zinc/81/29/79/584812979.db2.gz WKZLYQXGNXTTAV-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCc1cccc(F)c1 ZINC000903864734 584812981 /nfs/dbraw/zinc/81/29/81/584812981.db2.gz WKZLYQXGNXTTAV-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@]23CC[NH2+]C3)c1 ZINC000903871889 584815139 /nfs/dbraw/zinc/81/51/39/584815139.db2.gz WPWAQDCZMNELPS-OAHLLOKOSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915221 584820812 /nfs/dbraw/zinc/82/08/12/584820812.db2.gz OCOZMKHITWYAKQ-UWVGGRQHSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915221 584820813 /nfs/dbraw/zinc/82/08/13/584820813.db2.gz OCOZMKHITWYAKQ-UWVGGRQHSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903902975 584820912 /nfs/dbraw/zinc/82/09/12/584820912.db2.gz QDCBBXHYIOTOCO-ZJUUUORDSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903902975 584820914 /nfs/dbraw/zinc/82/09/14/584820914.db2.gz QDCBBXHYIOTOCO-ZJUUUORDSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@H](c1cccnc1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903906000 584820960 /nfs/dbraw/zinc/82/09/60/584820960.db2.gz QWBUVQJXNKNGJM-MWLCHTKSSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903906000 584820961 /nfs/dbraw/zinc/82/09/61/584820961.db2.gz QWBUVQJXNKNGJM-MWLCHTKSSA-N 2 2 243.301 2.057 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@H+](CC1CC1)CC1CCC1 ZINC000903917072 584827046 /nfs/dbraw/zinc/82/70/46/584827046.db2.gz KNAPCBYVCNCOCS-LBPRGKRZSA-N 2 2 246.345 2.481 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@@H+](CC1CC1)CC1CCC1 ZINC000903917072 584827047 /nfs/dbraw/zinc/82/70/47/584827047.db2.gz KNAPCBYVCNCOCS-LBPRGKRZSA-N 2 2 246.345 2.481 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960755 584828375 /nfs/dbraw/zinc/82/83/75/584828375.db2.gz YAVJGEAABJOGPU-TZMCWYRMSA-N 2 2 218.344 2.001 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000903960440 584828582 /nfs/dbraw/zinc/82/85/82/584828582.db2.gz KJEWBKPNRHIDPT-PRHODGIISA-N 2 2 224.373 2.062 20 0 BEADLP CC(C)([NH3+])C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000903948191 584830081 /nfs/dbraw/zinc/83/00/81/584830081.db2.gz MXERBSAPBBCSAI-CHWSQXEVSA-N 2 2 236.334 2.339 20 0 BEADLP Cc1cc(NC[C@H]2CC[NH2+][C@@H](C)C2)c[nH+]c1C ZINC000903948003 584830414 /nfs/dbraw/zinc/83/04/14/584830414.db2.gz KMIRMRPJUSWNJT-AAEUAGOBSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1nc(C)c(C[NH2+]Cc2cc(N)cc[nH+]2)s1 ZINC000903950239 584830854 /nfs/dbraw/zinc/83/08/54/584830854.db2.gz KOJJXXCRHMNVRS-UHFFFAOYSA-N 2 2 248.355 2.027 20 0 BEADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(C2CC2)no1 ZINC000903954063 584831242 /nfs/dbraw/zinc/83/12/42/584831242.db2.gz PGMLZBJDPKVHSB-CMPLNLGQSA-N 2 2 249.358 2.172 20 0 BEADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(C2CC2)no1 ZINC000903954065 584831500 /nfs/dbraw/zinc/83/15/00/584831500.db2.gz PGMLZBJDPKVHSB-PWSUYJOCSA-N 2 2 249.358 2.172 20 0 BEADLP C[C@@H]1C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316831 584864241 /nfs/dbraw/zinc/86/42/41/584864241.db2.gz URZHCHJENXYXBV-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316831 584864242 /nfs/dbraw/zinc/86/42/42/584864242.db2.gz URZHCHJENXYXBV-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904350684 584869591 /nfs/dbraw/zinc/86/95/91/584869591.db2.gz PAKHVJGGCMDKHP-GFCCVEGCSA-N 3 2 243.439 2.247 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904353382 584869714 /nfs/dbraw/zinc/86/97/14/584869714.db2.gz LEODYFCZBNRQLW-CHWSQXEVSA-N 3 2 243.439 2.103 20 0 BEADLP [NH3+]Cc1ccc(NCc2[nH+]ccn2C2CC2)cc1 ZINC000904356054 584871218 /nfs/dbraw/zinc/87/12/18/584871218.db2.gz SHBZTFYNFXLALQ-UHFFFAOYSA-N 2 2 242.326 2.289 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]([NH3+])CCC(C)(C)C)on1 ZINC000904368674 584872549 /nfs/dbraw/zinc/87/25/49/584872549.db2.gz SVFUJMFMAHVIOE-LLVKDONJSA-N 2 2 239.363 2.226 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]CC1([NH3+])CCCC1 ZINC000904377243 584876260 /nfs/dbraw/zinc/87/62/60/584876260.db2.gz LMVCAOYDDNPKRP-LBPRGKRZSA-N 3 2 241.423 2.001 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904379758 584876815 /nfs/dbraw/zinc/87/68/15/584876815.db2.gz WBDBVDMJSPSNGM-QMMMGPOBSA-N 2 2 246.276 2.461 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)nc1 ZINC000817965580 584993171 /nfs/dbraw/zinc/99/31/71/584993171.db2.gz XXIUBARVUZNZSA-VIFPVBQESA-N 2 2 239.750 2.267 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)nc1 ZINC000817965578 584993360 /nfs/dbraw/zinc/99/33/60/584993360.db2.gz XXIUBARVUZNZSA-SECBINFHSA-N 2 2 239.750 2.267 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000838860854 585075551 /nfs/dbraw/zinc/07/55/51/585075551.db2.gz SGRXXDFJSDYEEB-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC2(CCCC2)C1 ZINC000838860854 585075552 /nfs/dbraw/zinc/07/55/52/585075552.db2.gz SGRXXDFJSDYEEB-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000754130846 585279120 /nfs/dbraw/zinc/27/91/20/585279120.db2.gz SADXIEUJBBNYHZ-DGCLKSJQSA-N 2 2 242.326 2.013 20 0 BEADLP C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000760842842 585399306 /nfs/dbraw/zinc/39/93/06/585399306.db2.gz CEAXWRYHYXYFSV-KGLIPLIRSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000760842842 585399307 /nfs/dbraw/zinc/39/93/07/585399307.db2.gz CEAXWRYHYXYFSV-KGLIPLIRSA-N 2 2 222.376 2.347 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766271333 585500239 /nfs/dbraw/zinc/50/02/39/585500239.db2.gz UEHSITNMLCLHAD-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766271333 585500240 /nfs/dbraw/zinc/50/02/40/585500240.db2.gz UEHSITNMLCLHAD-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc[nH]1 ZINC000773124347 585632104 /nfs/dbraw/zinc/63/21/04/585632104.db2.gz XPIKSSHGOGMSIQ-SUNKGSAMSA-N 2 2 233.359 2.148 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc[nH]1 ZINC000773124347 585632105 /nfs/dbraw/zinc/63/21/05/585632105.db2.gz XPIKSSHGOGMSIQ-SUNKGSAMSA-N 2 2 233.359 2.148 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000775956677 585688370 /nfs/dbraw/zinc/68/83/70/585688370.db2.gz ZJVXUJNYQLIGDG-ZFWWWQNUSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000775956677 585688371 /nfs/dbraw/zinc/68/83/71/585688371.db2.gz ZJVXUJNYQLIGDG-ZFWWWQNUSA-N 2 2 232.371 2.159 20 0 BEADLP CC(C)OC1CC([NH2+]CC[NH+]2CCCCC2)C1 ZINC000779166713 585746596 /nfs/dbraw/zinc/74/65/96/585746596.db2.gz UPOVKCPLAHSXKS-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCCC12CC[NH+](C/C=C\Cl)CC2 ZINC000784252457 585853676 /nfs/dbraw/zinc/85/36/76/585853676.db2.gz SSGAUCFCESKQHD-CLTKARDFSA-N 2 2 228.767 2.299 20 0 BEADLP C[N@H+]1CCCC12CC[NH+](C/C=C\Cl)CC2 ZINC000784252457 585853677 /nfs/dbraw/zinc/85/36/77/585853677.db2.gz SSGAUCFCESKQHD-CLTKARDFSA-N 2 2 228.767 2.299 20 0 BEADLP C[NH+]1CCC(C[N@H+](CC(F)F)C2CC2)CC1 ZINC000790079879 585957432 /nfs/dbraw/zinc/95/74/32/585957432.db2.gz GYQSXWWBEOQMIJ-UHFFFAOYSA-N 2 2 232.318 2.058 20 0 BEADLP C[NH+]1CCC(C[N@@H+](CC(F)F)C2CC2)CC1 ZINC000790079879 585957433 /nfs/dbraw/zinc/95/74/33/585957433.db2.gz GYQSXWWBEOQMIJ-UHFFFAOYSA-N 2 2 232.318 2.058 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000793185615 586013442 /nfs/dbraw/zinc/01/34/42/586013442.db2.gz KACKWROCGFKERK-LLVKDONJSA-N 2 2 237.322 2.102 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000793185615 586013443 /nfs/dbraw/zinc/01/34/43/586013443.db2.gz KACKWROCGFKERK-LLVKDONJSA-N 2 2 237.322 2.102 20 0 BEADLP C[C@]12CC[N@H+](CC[NH+]3CCCC3)C[C@H]1C2(F)F ZINC000794624445 586045960 /nfs/dbraw/zinc/04/59/60/586045960.db2.gz QFRZJPCSUWQCIC-NEPJUHHUSA-N 2 2 244.329 2.059 20 0 BEADLP C[C@]12CC[N@@H+](CC[NH+]3CCCC3)C[C@H]1C2(F)F ZINC000794624445 586045961 /nfs/dbraw/zinc/04/59/61/586045961.db2.gz QFRZJPCSUWQCIC-NEPJUHHUSA-N 2 2 244.329 2.059 20 0 BEADLP C[N@H+](C/C=C\Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453039 586103881 /nfs/dbraw/zinc/10/38/81/586103881.db2.gz BPRLMAPMIYBMCK-MFILPDBESA-N 2 2 228.767 2.296 20 0 BEADLP C[N@@H+](C/C=C\Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796453039 586103882 /nfs/dbraw/zinc/10/38/82/586103882.db2.gz BPRLMAPMIYBMCK-MFILPDBESA-N 2 2 228.767 2.296 20 0 BEADLP C[NH+](C/C=C\Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796453039 586103883 /nfs/dbraw/zinc/10/38/83/586103883.db2.gz BPRLMAPMIYBMCK-MFILPDBESA-N 2 2 228.767 2.296 20 0 BEADLP C[NH+](C/C=C\Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796453039 586103884 /nfs/dbraw/zinc/10/38/84/586103884.db2.gz BPRLMAPMIYBMCK-MFILPDBESA-N 2 2 228.767 2.296 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000757161281 586431345 /nfs/dbraw/zinc/43/13/45/586431345.db2.gz UKXAPCVCJKMOKN-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@@H](C)[NH3+])ccc1Cl ZINC000757161281 586431346 /nfs/dbraw/zinc/43/13/46/586431346.db2.gz UKXAPCVCJKMOKN-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[C@@H]1O ZINC000809623858 586510036 /nfs/dbraw/zinc/51/00/36/586510036.db2.gz CDRFWTSEBLVYMJ-CABCVRRESA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)CC1CC1 ZINC000809629340 586510082 /nfs/dbraw/zinc/51/00/82/586510082.db2.gz MSLFOFDRMXWVTF-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1(CO)CCCC1 ZINC000809634089 586510382 /nfs/dbraw/zinc/51/03/82/586510382.db2.gz RCXUMJQJIBMURV-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP C[C@@H]1C[C@H](C)[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809656647 586511048 /nfs/dbraw/zinc/51/10/48/586511048.db2.gz GTKKHTOPVHJUTQ-AOOOYVTPSA-N 2 2 239.388 2.187 20 0 BEADLP C[C@@H]1C[C@H](C)[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809656647 586511049 /nfs/dbraw/zinc/51/10/49/586511049.db2.gz GTKKHTOPVHJUTQ-AOOOYVTPSA-N 2 2 239.388 2.187 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000809756776 586517658 /nfs/dbraw/zinc/51/76/58/586517658.db2.gz JJKMBTLCSXHOGC-GFCCVEGCSA-N 2 2 231.299 2.003 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000809756776 586517659 /nfs/dbraw/zinc/51/76/59/586517659.db2.gz JJKMBTLCSXHOGC-GFCCVEGCSA-N 2 2 231.299 2.003 20 0 BEADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000815575910 586687680 /nfs/dbraw/zinc/68/76/80/586687680.db2.gz DVOOACYDRUJFHR-YPMHNXCESA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000815575910 586687681 /nfs/dbraw/zinc/68/76/81/586687681.db2.gz DVOOACYDRUJFHR-YPMHNXCESA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000815575909 586687690 /nfs/dbraw/zinc/68/76/90/586687690.db2.gz DVOOACYDRUJFHR-WCQYABFASA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000815575909 586687693 /nfs/dbraw/zinc/68/76/93/586687693.db2.gz DVOOACYDRUJFHR-WCQYABFASA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000815575907 586687991 /nfs/dbraw/zinc/68/79/91/586687991.db2.gz DVOOACYDRUJFHR-AAEUAGOBSA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000815575907 586687993 /nfs/dbraw/zinc/68/79/93/586687993.db2.gz DVOOACYDRUJFHR-AAEUAGOBSA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817897919 586835215 /nfs/dbraw/zinc/83/52/15/586835215.db2.gz XUQORFGRVSGODJ-FZMZJTMJSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817940496 586845291 /nfs/dbraw/zinc/84/52/91/586845291.db2.gz IGHYNLVHRVLZQS-WDEREUQCSA-N 2 2 230.421 2.248 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817940535 586845394 /nfs/dbraw/zinc/84/53/94/586845394.db2.gz IQBNKIOUBUEHFQ-UKRRQHHQSA-N 2 2 230.355 2.324 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000817941816 586845647 /nfs/dbraw/zinc/84/56/47/586845647.db2.gz SGOQBIHRTKZUPD-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000817952572 586848069 /nfs/dbraw/zinc/84/80/69/586848069.db2.gz FWLWWOGGRIQXNM-GFCCVEGCSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817953185 586849193 /nfs/dbraw/zinc/84/91/93/586849193.db2.gz WPDHDUBQWOIFNR-UKRRQHHQSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc2c(c1)CCO2 ZINC000817953380 586849380 /nfs/dbraw/zinc/84/93/80/586849380.db2.gz LVGCJYLARMMJRN-LLVKDONJSA-N 2 2 246.354 2.024 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccnc1Cl ZINC000817957759 586850335 /nfs/dbraw/zinc/85/03/35/586850335.db2.gz DQXLDDGUWUOVDC-GXSJLCMTSA-N 2 2 241.766 2.369 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817959749 586852097 /nfs/dbraw/zinc/85/20/97/586852097.db2.gz IDNROKIADGFTNC-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817965344 586853812 /nfs/dbraw/zinc/85/38/12/586853812.db2.gz PDGSXMDVVOYNET-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817974157 586860456 /nfs/dbraw/zinc/86/04/56/586860456.db2.gz ZSEDXYSVELJSEF-ZJUUUORDSA-N 2 2 241.766 2.384 20 0 BEADLP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000819060801 586928164 /nfs/dbraw/zinc/92/81/64/586928164.db2.gz QCEQPRTUYYZVAK-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000819060801 586928167 /nfs/dbraw/zinc/92/81/67/586928167.db2.gz QCEQPRTUYYZVAK-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)c1nc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc[nH+]1 ZINC000820596297 587057920 /nfs/dbraw/zinc/05/79/20/587057920.db2.gz SVSQTYFRGXUCIO-NWDGAFQWSA-N 2 2 248.374 2.129 20 0 BEADLP CO[C@@H]1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000821385590 587115111 /nfs/dbraw/zinc/11/51/11/587115111.db2.gz FXDAMEHWSHUVQY-QWHCGFSZSA-N 2 2 249.358 2.157 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000822451669 587168805 /nfs/dbraw/zinc/16/88/05/587168805.db2.gz NWPDVMSZTRRCPG-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP COc1cc([NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)ccc1N ZINC000841042703 587938299 /nfs/dbraw/zinc/93/82/99/587938299.db2.gz PXJFKGIYIHNNAO-QWRGUYRKSA-N 2 2 249.358 2.077 20 0 BEADLP COc1cc(N[C@H](C)C[C@H]2CCC[NH2+]2)ccc1[NH3+] ZINC000841041476 587938452 /nfs/dbraw/zinc/93/84/52/587938452.db2.gz HPHLQDXTAZZSQV-GHMZBOCLSA-N 2 2 249.358 2.220 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841039090 587938724 /nfs/dbraw/zinc/93/87/24/587938724.db2.gz ZPEFVPALFIMSOR-LLVKDONJSA-N 2 2 241.766 2.198 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000841046545 587938867 /nfs/dbraw/zinc/93/88/67/587938867.db2.gz GMZUCYOXDIHFST-UHFFFAOYSA-N 2 2 241.766 2.133 20 0 BEADLP COc1cc(NC[C@@H]([NH3+])CC(C)C)ccc1[NH3+] ZINC000841043644 587939282 /nfs/dbraw/zinc/93/92/82/587939282.db2.gz ZQQDKALBNOJFIO-JTQLQIEISA-N 2 2 237.347 2.063 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841055108 587940449 /nfs/dbraw/zinc/94/04/49/587940449.db2.gz QGSWXZFZKBHSHG-MNOVXSKESA-N 2 2 220.316 2.092 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841086135 587945536 /nfs/dbraw/zinc/94/55/36/587945536.db2.gz MUPQRLBBSQSPHQ-AWEZNQCLSA-N 2 2 248.370 2.063 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000842474874 588029196 /nfs/dbraw/zinc/02/91/96/588029196.db2.gz DGWPHWYDLCIUFP-LLVKDONJSA-N 2 2 241.766 2.198 20 0 BEADLP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]2)n1 ZINC000843064569 588078440 /nfs/dbraw/zinc/07/84/40/588078440.db2.gz ZICKXUZTXRTMEK-DZGCQCFKSA-N 2 2 245.370 2.279 20 0 BEADLP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]2)n1 ZINC000843064569 588078442 /nfs/dbraw/zinc/07/84/42/588078442.db2.gz ZICKXUZTXRTMEK-DZGCQCFKSA-N 2 2 245.370 2.279 20 0 BEADLP C[N@H+](Cc1ccc2c(c1)COC2)C1(C[NH3+])CCC1 ZINC000843125320 588083990 /nfs/dbraw/zinc/08/39/90/588083990.db2.gz SFNWZKTWIBZXBM-UHFFFAOYSA-N 2 2 246.354 2.030 20 0 BEADLP C[N@@H+](Cc1ccc2c(c1)COC2)C1(C[NH3+])CCC1 ZINC000843125320 588083992 /nfs/dbraw/zinc/08/39/92/588083992.db2.gz SFNWZKTWIBZXBM-UHFFFAOYSA-N 2 2 246.354 2.030 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000847089858 588305709 /nfs/dbraw/zinc/30/57/09/588305709.db2.gz LJZPEALHZUSGGI-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](C)C3)cc21 ZINC000850120227 588520799 /nfs/dbraw/zinc/52/07/99/588520799.db2.gz ZHBVPRHLBCMAJE-LBPRGKRZSA-N 2 2 243.354 2.270 20 0 BEADLP Cc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+](C)C3)cc21 ZINC000850120227 588520800 /nfs/dbraw/zinc/52/08/00/588520800.db2.gz ZHBVPRHLBCMAJE-LBPRGKRZSA-N 2 2 243.354 2.270 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000850439226 588546542 /nfs/dbraw/zinc/54/65/42/588546542.db2.gz MDVOCWRGJOOVPG-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000850439226 588546544 /nfs/dbraw/zinc/54/65/44/588546544.db2.gz MDVOCWRGJOOVPG-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845812 588634669 /nfs/dbraw/zinc/63/46/69/588634669.db2.gz NSELVNPBCHTENR-JHJVBQTASA-N 2 2 249.358 2.157 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845812 588634670 /nfs/dbraw/zinc/63/46/70/588634670.db2.gz NSELVNPBCHTENR-JHJVBQTASA-N 2 2 249.358 2.157 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1cccc(C(C)C)c1 ZINC000852749920 588699922 /nfs/dbraw/zinc/69/99/22/588699922.db2.gz RULWYXJEZSDDHW-UHFFFAOYSA-N 2 2 220.360 2.461 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000852749920 588699923 /nfs/dbraw/zinc/69/99/23/588699923.db2.gz RULWYXJEZSDDHW-UHFFFAOYSA-N 2 2 220.360 2.461 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC(F)(F)C1 ZINC000862295647 589200610 /nfs/dbraw/zinc/20/06/10/589200610.db2.gz PRIGHKNVMCHEQE-GHMZBOCLSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC(F)(F)C1 ZINC000862295647 589200611 /nfs/dbraw/zinc/20/06/11/589200611.db2.gz PRIGHKNVMCHEQE-GHMZBOCLSA-N 2 2 246.345 2.494 20 0 BEADLP Cc1ccc(NCCNc2cccc[nH+]2)[nH+]c1 ZINC000203751547 589270601 /nfs/dbraw/zinc/27/06/01/589270601.db2.gz ALSJEMUNUYPGDU-UHFFFAOYSA-N 2 2 228.299 2.309 20 0 BEADLP CN(C)c1cc(Cn2cc[nH+]c2C2CC2)cc[nH+]1 ZINC000863386072 589285984 /nfs/dbraw/zinc/28/59/84/589285984.db2.gz MHRHWBCAEGQQNZ-UHFFFAOYSA-N 2 2 242.326 2.270 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)nc1 ZINC000863546849 589298604 /nfs/dbraw/zinc/29/86/04/589298604.db2.gz NLPJQUMMTDQJTJ-WCABBAIRSA-N 2 2 239.750 2.136 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000863569651 589300558 /nfs/dbraw/zinc/30/05/58/589300558.db2.gz ZCQJDDBDUGZHRF-YGRLFVJLSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000863569651 589300560 /nfs/dbraw/zinc/30/05/60/589300560.db2.gz ZCQJDDBDUGZHRF-YGRLFVJLSA-N 2 2 236.334 2.482 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])cc2cccnc12 ZINC000863652079 589307631 /nfs/dbraw/zinc/30/76/31/589307631.db2.gz PWHLCNOMRFOLNP-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@@H](C)[NH3+])cc2cccnc12 ZINC000863652079 589307632 /nfs/dbraw/zinc/30/76/32/589307632.db2.gz PWHLCNOMRFOLNP-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CCNc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000864094224 589344162 /nfs/dbraw/zinc/34/41/62/589344162.db2.gz LMNYIZAFWDZUSD-UHFFFAOYSA-N 2 2 244.342 2.105 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)F)s1 ZINC000865653777 589454629 /nfs/dbraw/zinc/45/46/29/589454629.db2.gz ZDPWCMANMGBKKG-UHFFFAOYSA-N 2 2 245.367 2.042 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000866216508 589481100 /nfs/dbraw/zinc/48/11/00/589481100.db2.gz SNXNFZBXMYJCPX-AWEZNQCLSA-N 2 2 243.354 2.412 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000866243027 589482452 /nfs/dbraw/zinc/48/24/52/589482452.db2.gz VOIZCVLCKKYLPG-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000866243027 589482453 /nfs/dbraw/zinc/48/24/53/589482453.db2.gz VOIZCVLCKKYLPG-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)c1 ZINC000866259374 589483595 /nfs/dbraw/zinc/48/35/95/589483595.db2.gz LYHNUSYAVRLDJT-KGLIPLIRSA-N 2 2 234.387 2.466 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583190 589501284 /nfs/dbraw/zinc/50/12/84/589501284.db2.gz BANPQZMIHQACJO-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866583190 589501286 /nfs/dbraw/zinc/50/12/86/589501286.db2.gz BANPQZMIHQACJO-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583190 589501287 /nfs/dbraw/zinc/50/12/87/589501287.db2.gz BANPQZMIHQACJO-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583190 589501289 /nfs/dbraw/zinc/50/12/89/589501289.db2.gz BANPQZMIHQACJO-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585042 589501870 /nfs/dbraw/zinc/50/18/70/589501870.db2.gz MXXQZDYOUISHEZ-VNHYZAJKSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585042 589501872 /nfs/dbraw/zinc/50/18/72/589501872.db2.gz MXXQZDYOUISHEZ-VNHYZAJKSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585042 589501873 /nfs/dbraw/zinc/50/18/73/589501873.db2.gz MXXQZDYOUISHEZ-VNHYZAJKSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585042 589501874 /nfs/dbraw/zinc/50/18/74/589501874.db2.gz MXXQZDYOUISHEZ-VNHYZAJKSA-N 2 2 245.370 2.169 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000866595608 589502740 /nfs/dbraw/zinc/50/27/40/589502740.db2.gz SIGVEXGEKQLSCX-BZPMIXESSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000866595608 589502742 /nfs/dbraw/zinc/50/27/42/589502742.db2.gz SIGVEXGEKQLSCX-BZPMIXESSA-N 2 2 248.370 2.296 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCCC1CC1 ZINC000866668522 589510382 /nfs/dbraw/zinc/51/03/82/589510382.db2.gz GEIOBPDHYUQADV-UHFFFAOYSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCCC1CC1 ZINC000866668522 589510384 /nfs/dbraw/zinc/51/03/84/589510384.db2.gz GEIOBPDHYUQADV-UHFFFAOYSA-N 2 2 222.376 2.380 20 0 BEADLP CN(CCCCCC[NH3+])c1cc[nH+]c(C2CC2)n1 ZINC000871665740 589786325 /nfs/dbraw/zinc/78/63/25/589786325.db2.gz FOVANTJLWGAFQL-UHFFFAOYSA-N 2 2 248.374 2.309 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872106588 589872557 /nfs/dbraw/zinc/87/25/57/589872557.db2.gz HGHKJKJXXYLVAL-HZSPNIEDSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872106588 589872559 /nfs/dbraw/zinc/87/25/59/589872559.db2.gz HGHKJKJXXYLVAL-HZSPNIEDSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872106591 589872948 /nfs/dbraw/zinc/87/29/48/589872948.db2.gz HGHKJKJXXYLVAL-RDBSUJKOSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872106591 589872951 /nfs/dbraw/zinc/87/29/51/589872951.db2.gz HGHKJKJXXYLVAL-RDBSUJKOSA-N 2 2 222.376 2.273 20 0 BEADLP CCn1cc[nH+]c1CNc1cc[nH+]cc1C1CC1 ZINC000872559901 589951221 /nfs/dbraw/zinc/95/12/21/589951221.db2.gz BQEGFJKWXMENQQ-UHFFFAOYSA-N 2 2 242.326 2.209 20 0 BEADLP CCc1cc(NCC2([NH2+]C)CCCCC2)nc[nH+]1 ZINC000872629996 589957511 /nfs/dbraw/zinc/95/75/11/589957511.db2.gz WRLXTSVJBVFEGR-UHFFFAOYSA-N 2 2 248.374 2.373 20 0 BEADLP C[NH2+]C1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC000872629777 589957569 /nfs/dbraw/zinc/95/75/69/589957569.db2.gz QMIBXTCRKZRLIM-UHFFFAOYSA-N 2 2 234.347 2.119 20 0 BEADLP Cn1c[nH+]c(CNc2ccc3c([nH+]2)CCCC3)c1 ZINC000873189039 589991421 /nfs/dbraw/zinc/99/14/21/589991421.db2.gz MQKMTUWPWZDDMT-UHFFFAOYSA-N 2 2 242.326 2.306 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221917 589999769 /nfs/dbraw/zinc/99/97/69/589999769.db2.gz TYOKECOOZIEUIP-NEPJUHHUSA-N 2 2 242.432 2.059 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221917 589999771 /nfs/dbraw/zinc/99/97/71/589999771.db2.gz TYOKECOOZIEUIP-NEPJUHHUSA-N 2 2 242.432 2.059 20 0 BEADLP c1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228448 590000409 /nfs/dbraw/zinc/00/04/09/590000409.db2.gz DZESDFDQVULTTN-ZIAGYGMSSA-N 2 2 216.328 2.061 20 0 BEADLP c1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000873230260 590001445 /nfs/dbraw/zinc/00/14/45/590001445.db2.gz OIKKQBTVGZHQQB-NEPJUHHUSA-N 2 2 222.357 2.122 20 0 BEADLP COc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230203 590001558 /nfs/dbraw/zinc/00/15/58/590001558.db2.gz NJOVYLZPNLCUDU-LSDHHAIUSA-N 2 2 246.354 2.069 20 0 BEADLP c1csc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230234 590002067 /nfs/dbraw/zinc/00/20/67/590002067.db2.gz NUHKYLXKEDBFHG-RYUDHWBXSA-N 2 2 222.357 2.122 20 0 BEADLP C[C@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCCC1 ZINC000876957037 590259775 /nfs/dbraw/zinc/25/97/75/590259775.db2.gz RKSDCLAZRQSBGV-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc(Cl)cs1 ZINC000876992111 590266519 /nfs/dbraw/zinc/26/65/19/590266519.db2.gz LFKUVQDTHDTDME-QMMMGPOBSA-N 2 2 247.795 2.226 20 0 BEADLP CO[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)CC(C)C ZINC000877152701 590292736 /nfs/dbraw/zinc/29/27/36/590292736.db2.gz BQNPVFHNPHJSCW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)CC(C)C ZINC000877152701 590292737 /nfs/dbraw/zinc/29/27/37/590292737.db2.gz BQNPVFHNPHJSCW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877154385 590293202 /nfs/dbraw/zinc/29/32/02/590293202.db2.gz PGHDAZARRDMUNG-FQUUOJAGSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877154385 590293204 /nfs/dbraw/zinc/29/32/04/590293204.db2.gz PGHDAZARRDMUNG-FQUUOJAGSA-N 2 2 222.376 2.106 20 0 BEADLP CC1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000877429750 590326165 /nfs/dbraw/zinc/32/61/65/590326165.db2.gz MWYHRCQPGYLCFW-GFCCVEGCSA-N 2 2 233.359 2.368 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877744733 590412654 /nfs/dbraw/zinc/41/26/54/590412654.db2.gz XITPFAGMFQCXJM-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877744733 590412657 /nfs/dbraw/zinc/41/26/57/590412657.db2.gz XITPFAGMFQCXJM-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)o1 ZINC000877744733 590412661 /nfs/dbraw/zinc/41/26/61/590412661.db2.gz XITPFAGMFQCXJM-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)o1 ZINC000877744733 590412664 /nfs/dbraw/zinc/41/26/64/590412664.db2.gz XITPFAGMFQCXJM-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](O)C2(C)C)c(C)[nH+]1 ZINC000878635072 590598094 /nfs/dbraw/zinc/59/80/94/590598094.db2.gz QUNOXTFVZCSXNW-AWEZNQCLSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H](O)C2(C)C)c(C)[nH+]1 ZINC000878635072 590598096 /nfs/dbraw/zinc/59/80/96/590598096.db2.gz QUNOXTFVZCSXNW-AWEZNQCLSA-N 2 2 248.370 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579774 590819089 /nfs/dbraw/zinc/81/90/89/590819089.db2.gz PILBVYNFXARDOQ-UWVGGRQHSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579774 590819090 /nfs/dbraw/zinc/81/90/90/590819090.db2.gz PILBVYNFXARDOQ-UWVGGRQHSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579774 590819093 /nfs/dbraw/zinc/81/90/93/590819093.db2.gz PILBVYNFXARDOQ-UWVGGRQHSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579774 590819096 /nfs/dbraw/zinc/81/90/96/590819096.db2.gz PILBVYNFXARDOQ-UWVGGRQHSA-N 2 2 249.185 2.331 20 0 BEADLP C[C@]1(C(F)(F)F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000880001726 590906421 /nfs/dbraw/zinc/90/64/21/590906421.db2.gz AKVVDGCFPYUSHY-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP C[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000880001726 590906425 /nfs/dbraw/zinc/90/64/25/590906425.db2.gz AKVVDGCFPYUSHY-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130262 590932336 /nfs/dbraw/zinc/93/23/36/590932336.db2.gz NVFZMIFUBZXRPY-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130262 590932337 /nfs/dbraw/zinc/93/23/37/590932337.db2.gz NVFZMIFUBZXRPY-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000880130262 590932339 /nfs/dbraw/zinc/93/23/39/590932339.db2.gz NVFZMIFUBZXRPY-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000880130262 590932342 /nfs/dbraw/zinc/93/23/42/590932342.db2.gz NVFZMIFUBZXRPY-LSDHHAIUSA-N 2 2 248.345 2.494 20 0 BEADLP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133505 590933306 /nfs/dbraw/zinc/93/33/06/590933306.db2.gz PBWUYDVHIAPGBG-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133505 590933309 /nfs/dbraw/zinc/93/33/09/590933309.db2.gz PBWUYDVHIAPGBG-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133505 590933312 /nfs/dbraw/zinc/93/33/12/590933312.db2.gz PBWUYDVHIAPGBG-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880133505 590933315 /nfs/dbraw/zinc/93/33/15/590933315.db2.gz PBWUYDVHIAPGBG-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000880132255 590933703 /nfs/dbraw/zinc/93/37/03/590933703.db2.gz LCUIAVPQTZXOLO-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000880132255 590933707 /nfs/dbraw/zinc/93/37/07/590933707.db2.gz LCUIAVPQTZXOLO-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)n1 ZINC000880132255 590933708 /nfs/dbraw/zinc/93/37/08/590933708.db2.gz LCUIAVPQTZXOLO-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)n1 ZINC000880132255 590933712 /nfs/dbraw/zinc/93/37/12/590933712.db2.gz LCUIAVPQTZXOLO-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134604 590938549 /nfs/dbraw/zinc/93/85/49/590938549.db2.gz NSBIKKJIAFIBRF-AVGNSLFASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134604 590938551 /nfs/dbraw/zinc/93/85/51/590938551.db2.gz NSBIKKJIAFIBRF-AVGNSLFASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134604 590938555 /nfs/dbraw/zinc/93/85/55/590938555.db2.gz NSBIKKJIAFIBRF-AVGNSLFASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880134604 590938556 /nfs/dbraw/zinc/93/85/56/590938556.db2.gz NSBIKKJIAFIBRF-AVGNSLFASA-N 2 2 210.365 2.201 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCC1 ZINC000880140663 590940193 /nfs/dbraw/zinc/94/01/93/590940193.db2.gz COALAXMJUCKGCN-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1=CCCC1 ZINC000880140663 590940195 /nfs/dbraw/zinc/94/01/95/590940195.db2.gz COALAXMJUCKGCN-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1=CCCC1 ZINC000880140663 590940196 /nfs/dbraw/zinc/94/01/96/590940196.db2.gz COALAXMJUCKGCN-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1=CCCC1 ZINC000880140663 590940198 /nfs/dbraw/zinc/94/01/98/590940198.db2.gz COALAXMJUCKGCN-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136700 590940698 /nfs/dbraw/zinc/94/06/98/590940698.db2.gz QOSSJSFJCILPRG-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136700 590940699 /nfs/dbraw/zinc/94/06/99/590940699.db2.gz QOSSJSFJCILPRG-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1(C)CCC1 ZINC000880136700 590940700 /nfs/dbraw/zinc/94/07/00/590940700.db2.gz QOSSJSFJCILPRG-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1(C)CCC1 ZINC000880136700 590940701 /nfs/dbraw/zinc/94/07/01/590940701.db2.gz QOSSJSFJCILPRG-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)SCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140832 590941108 /nfs/dbraw/zinc/94/11/08/590941108.db2.gz DGDBZRCPQWJYSK-STQMWFEESA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140832 590941110 /nfs/dbraw/zinc/94/11/10/590941110.db2.gz DGDBZRCPQWJYSK-STQMWFEESA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140832 590941111 /nfs/dbraw/zinc/94/11/11/590941111.db2.gz DGDBZRCPQWJYSK-STQMWFEESA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140832 590941113 /nfs/dbraw/zinc/94/11/13/590941113.db2.gz DGDBZRCPQWJYSK-STQMWFEESA-N 2 2 242.432 2.297 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880141205 590943071 /nfs/dbraw/zinc/94/30/71/590943071.db2.gz HNPRBUOFMJVGTD-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880141205 590943072 /nfs/dbraw/zinc/94/30/72/590943072.db2.gz HNPRBUOFMJVGTD-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141205 590943075 /nfs/dbraw/zinc/94/30/75/590943075.db2.gz HNPRBUOFMJVGTD-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141205 590943077 /nfs/dbraw/zinc/94/30/77/590943077.db2.gz HNPRBUOFMJVGTD-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880141985 590943492 /nfs/dbraw/zinc/94/34/92/590943492.db2.gz LJHUHLBVGGQHFQ-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141985 590943494 /nfs/dbraw/zinc/94/34/94/590943494.db2.gz LJHUHLBVGGQHFQ-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141985 590943496 /nfs/dbraw/zinc/94/34/96/590943496.db2.gz LJHUHLBVGGQHFQ-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141985 590943498 /nfs/dbraw/zinc/94/34/98/590943498.db2.gz LJHUHLBVGGQHFQ-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP FCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568585 591098633 /nfs/dbraw/zinc/09/86/33/591098633.db2.gz AWKMSNVNGYSSOA-CYBMUJFWSA-N 2 2 233.290 2.184 20 0 BEADLP CCC[NH+]1CCC(Nc2nc[nH+]c(C)c2C)CC1 ZINC000881773269 591270420 /nfs/dbraw/zinc/27/04/20/591270420.db2.gz DEDIEUVPNPFECB-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1[nH+]cnc(NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000881824878 591272977 /nfs/dbraw/zinc/27/29/77/591272977.db2.gz YMGZEVSYHLDQEG-LLVKDONJSA-N 2 2 248.374 2.237 20 0 BEADLP CCCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130099207 591436693 /nfs/dbraw/zinc/43/66/93/591436693.db2.gz LHOUCIMCKMNJEE-NEPJUHHUSA-N 2 2 200.370 2.495 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)C2 ZINC000883122293 591543532 /nfs/dbraw/zinc/54/35/32/591543532.db2.gz HFDVGDVLORIOAS-YVECIDJPSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883122293 591543534 /nfs/dbraw/zinc/54/35/34/591543534.db2.gz HFDVGDVLORIOAS-YVECIDJPSA-N 2 2 245.370 2.435 20 0 BEADLP Cc1cc(NC2CC[NH+](C)CC2)c[nH+]c1C ZINC000883341428 591620444 /nfs/dbraw/zinc/62/04/44/591620444.db2.gz PTCBRSZAUZUOLQ-UHFFFAOYSA-N 2 2 219.332 2.205 20 0 BEADLP Cc1cc(N[C@H]2C[N@@H+](C)C[C@@H]2C)c[nH+]c1C ZINC000883342456 591621967 /nfs/dbraw/zinc/62/19/67/591621967.db2.gz YSJDVZQIIIDQAL-GWCFXTLKSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1cc(N[C@H]2C[N@H+](C)C[C@@H]2C)c[nH+]c1C ZINC000883342456 591621970 /nfs/dbraw/zinc/62/19/70/591621970.db2.gz YSJDVZQIIIDQAL-GWCFXTLKSA-N 2 2 219.332 2.060 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000883355318 591626581 /nfs/dbraw/zinc/62/65/81/591626581.db2.gz OEQGGBSREGOLJZ-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000883355318 591626583 /nfs/dbraw/zinc/62/65/83/591626583.db2.gz OEQGGBSREGOLJZ-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883417546 591652100 /nfs/dbraw/zinc/65/21/00/591652100.db2.gz DWSWSEZHJHVEGH-VHDGCEQUSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000883417546 591652104 /nfs/dbraw/zinc/65/21/04/591652104.db2.gz DWSWSEZHJHVEGH-VHDGCEQUSA-N 2 2 248.370 2.186 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883418134 591654579 /nfs/dbraw/zinc/65/45/79/591654579.db2.gz YOLZRQINHATEOF-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883418134 591654583 /nfs/dbraw/zinc/65/45/83/591654583.db2.gz YOLZRQINHATEOF-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422823 591657106 /nfs/dbraw/zinc/65/71/06/591657106.db2.gz VTXGRONZHLLCLF-CQDKDKBSSA-N 2 2 248.345 2.133 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422823 591657104 /nfs/dbraw/zinc/65/71/04/591657104.db2.gz VTXGRONZHLLCLF-CQDKDKBSSA-N 2 2 248.345 2.133 20 0 BEADLP CCC(CC)(CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883422991 591657997 /nfs/dbraw/zinc/65/79/97/591657997.db2.gz ZAFOAGKEDRPESF-QWRGUYRKSA-N 2 2 216.344 2.245 20 0 BEADLP C[C@@H]1SCC[N@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000132478151 591712273 /nfs/dbraw/zinc/71/22/73/591712273.db2.gz LSOHAWWUMOXVSE-QWRGUYRKSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@@H]1SCC[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000132478151 591712275 /nfs/dbraw/zinc/71/22/75/591712275.db2.gz LSOHAWWUMOXVSE-QWRGUYRKSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@H]1SCC[N@H+](CC[NH2+]C(C)(C)C)[C@@H]1C ZINC000132478327 591712496 /nfs/dbraw/zinc/71/24/96/591712496.db2.gz LSOHAWWUMOXVSE-GHMZBOCLSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@H]1SCC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H]1C ZINC000132478327 591712501 /nfs/dbraw/zinc/71/25/01/591712501.db2.gz LSOHAWWUMOXVSE-GHMZBOCLSA-N 2 2 230.421 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000134062579 591881264 /nfs/dbraw/zinc/88/12/64/591881264.db2.gz UUVQMTQVNKOYCF-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000134062579 591881267 /nfs/dbraw/zinc/88/12/67/591881267.db2.gz UUVQMTQVNKOYCF-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000134284635 591911998 /nfs/dbraw/zinc/91/19/98/591911998.db2.gz VSCYBENBPLZAGY-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]CC2(C)CCCC2)C1 ZINC000134284635 591912000 /nfs/dbraw/zinc/91/20/00/591912000.db2.gz VSCYBENBPLZAGY-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000134846873 591952933 /nfs/dbraw/zinc/95/29/33/591952933.db2.gz LEJCTXAXOKXKAJ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000134846873 591952936 /nfs/dbraw/zinc/95/29/36/591952936.db2.gz LEJCTXAXOKXKAJ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CCc1nc(N[C@@H](C)C[N@H+](C)C(C)C)cc[nH+]1 ZINC000884511048 591961226 /nfs/dbraw/zinc/96/12/26/591961226.db2.gz WKTVOZCNJAJVLG-NSHDSACASA-N 2 2 236.363 2.180 20 0 BEADLP CCc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC000884511048 591961229 /nfs/dbraw/zinc/96/12/29/591961229.db2.gz WKTVOZCNJAJVLG-NSHDSACASA-N 2 2 236.363 2.180 20 0 BEADLP CCc1nc(NCC[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000884528474 591967851 /nfs/dbraw/zinc/96/78/51/591967851.db2.gz PUJCVHOXZCTKMD-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000884528474 591967853 /nfs/dbraw/zinc/96/78/53/591967853.db2.gz PUJCVHOXZCTKMD-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)cc[nH+]1 ZINC000884552105 591976264 /nfs/dbraw/zinc/97/62/64/591976264.db2.gz RRKBKLQXFHXATG-LLVKDONJSA-N 2 2 248.374 2.324 20 0 BEADLP CCc1nc(NC[C@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000884552105 591976266 /nfs/dbraw/zinc/97/62/66/591976266.db2.gz RRKBKLQXFHXATG-LLVKDONJSA-N 2 2 248.374 2.324 20 0 BEADLP CCc1nc(NC[C@@H]2CCCC[N@H+](C)C2)cc[nH+]1 ZINC000884564903 591982084 /nfs/dbraw/zinc/98/20/84/591982084.db2.gz UJGQFHQUSYLSLJ-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1nc(NC[C@@H]2CCCC[N@@H+](C)C2)cc[nH+]1 ZINC000884564903 591982088 /nfs/dbraw/zinc/98/20/88/591982088.db2.gz UJGQFHQUSYLSLJ-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](C/C=C/Cl)CC1 ZINC000135185475 591994819 /nfs/dbraw/zinc/99/48/19/591994819.db2.gz AHMYCOJHODIZJK-ZZXKWVIFSA-N 2 2 216.756 2.201 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000886171757 592168540 /nfs/dbraw/zinc/16/85/40/592168540.db2.gz NRFXXUABDBONEW-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000886171757 592168542 /nfs/dbraw/zinc/16/85/42/592168542.db2.gz NRFXXUABDBONEW-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000886171756 592168574 /nfs/dbraw/zinc/16/85/74/592168574.db2.gz NRFXXUABDBONEW-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000886171756 592168575 /nfs/dbraw/zinc/16/85/75/592168575.db2.gz NRFXXUABDBONEW-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886211046 592177694 /nfs/dbraw/zinc/17/76/94/592177694.db2.gz IGOMIHFDQHYZKT-NEPJUHHUSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000886211046 592177696 /nfs/dbraw/zinc/17/76/96/592177696.db2.gz IGOMIHFDQHYZKT-NEPJUHHUSA-N 2 2 231.343 2.204 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813996 592336249 /nfs/dbraw/zinc/33/62/49/592336249.db2.gz ZMBSFNBTOUBSMP-DGCLKSJQSA-N 2 2 208.349 2.025 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813996 592336252 /nfs/dbraw/zinc/33/62/52/592336252.db2.gz ZMBSFNBTOUBSMP-DGCLKSJQSA-N 2 2 208.349 2.025 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257692987 634469686 /nfs/dbraw/zinc/46/96/86/634469686.db2.gz OAIACBJGUZEKIG-CYBMUJFWSA-N 2 2 236.384 2.384 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257692987 634469691 /nfs/dbraw/zinc/46/96/91/634469691.db2.gz OAIACBJGUZEKIG-CYBMUJFWSA-N 2 2 236.384 2.384 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1coc2ccccc12 ZINC000258652045 635182894 /nfs/dbraw/zinc/18/28/94/635182894.db2.gz AQTMZJHFEHOOFM-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1coc2ccccc12 ZINC000258652045 635182899 /nfs/dbraw/zinc/18/28/99/635182899.db2.gz AQTMZJHFEHOOFM-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639551 634575584 /nfs/dbraw/zinc/57/55/84/634575584.db2.gz HUDGFPBTWASJNK-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639551 634575591 /nfs/dbraw/zinc/57/55/91/634575591.db2.gz HUDGFPBTWASJNK-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639551 634575594 /nfs/dbraw/zinc/57/55/94/634575594.db2.gz HUDGFPBTWASJNK-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccoc2)[C@H](C)C1 ZINC000093639551 634575595 /nfs/dbraw/zinc/57/55/95/634575595.db2.gz HUDGFPBTWASJNK-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[NH2+]1 ZINC000251520644 635566938 /nfs/dbraw/zinc/56/69/38/635566938.db2.gz KVZJMPCJOSLXMR-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCC[NH2+]1 ZINC000251520644 635566940 /nfs/dbraw/zinc/56/69/40/635566940.db2.gz KVZJMPCJOSLXMR-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1C ZINC000309032955 631805287 /nfs/dbraw/zinc/80/52/87/631805287.db2.gz CUIJBLCIMLDOSJ-LLVKDONJSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1C ZINC000309032955 631805295 /nfs/dbraw/zinc/80/52/95/631805295.db2.gz CUIJBLCIMLDOSJ-LLVKDONJSA-N 2 2 206.333 2.082 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000235137456 632074448 /nfs/dbraw/zinc/07/44/48/632074448.db2.gz YXJHUIKCXXXRHV-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)c(C)o1 ZINC000309612239 632584983 /nfs/dbraw/zinc/58/49/83/632584983.db2.gz BTRUPXYBMZYQHS-UHFFFAOYSA-N 2 2 222.332 2.080 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177035097 632692842 /nfs/dbraw/zinc/69/28/42/632692842.db2.gz FBKJTFZLKWFPJU-FVOPLDGLSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177035097 632692847 /nfs/dbraw/zinc/69/28/47/632692847.db2.gz FBKJTFZLKWFPJU-FVOPLDGLSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000177035097 632692848 /nfs/dbraw/zinc/69/28/48/632692848.db2.gz FBKJTFZLKWFPJU-FVOPLDGLSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000177035097 632692850 /nfs/dbraw/zinc/69/28/50/632692850.db2.gz FBKJTFZLKWFPJU-FVOPLDGLSA-N 2 2 230.783 2.403 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000310357871 632726879 /nfs/dbraw/zinc/72/68/79/632726879.db2.gz RLEYYUOPAJAXCP-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1CC2(C1)CCCC2 ZINC000924561232 632858077 /nfs/dbraw/zinc/85/80/77/632858077.db2.gz JDAHGDLAEBPAEQ-UHFFFAOYSA-N 2 2 222.376 2.395 20 0 BEADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924580802 633032739 /nfs/dbraw/zinc/03/27/39/633032739.db2.gz YXZNKGXOADRIJG-GFCCVEGCSA-N 2 2 248.374 2.002 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000168420105 633142981 /nfs/dbraw/zinc/14/29/81/633142981.db2.gz PLZAPXDHJIGWDW-GXTWGEPZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000168420105 633142987 /nfs/dbraw/zinc/14/29/87/633142987.db2.gz PLZAPXDHJIGWDW-GXTWGEPZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CC[NH3+] ZINC000054416798 633168034 /nfs/dbraw/zinc/16/80/34/633168034.db2.gz JRGBLBIGAUDDGL-GFCCVEGCSA-N 2 2 210.296 2.167 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC[NH3+] ZINC000054416798 633168040 /nfs/dbraw/zinc/16/80/40/633168040.db2.gz JRGBLBIGAUDDGL-GFCCVEGCSA-N 2 2 210.296 2.167 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCCCC1 ZINC000308778721 633814389 /nfs/dbraw/zinc/81/43/89/633814389.db2.gz BQUPPEOTMRTHIS-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(OCC[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000925509688 633847432 /nfs/dbraw/zinc/84/74/32/633847432.db2.gz OFQVIBFMMIWRGE-ZFWWWQNUSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000309741962 634001069 /nfs/dbraw/zinc/00/10/69/634001069.db2.gz HYIKICOTTOCRGM-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000309741962 634001073 /nfs/dbraw/zinc/00/10/73/634001073.db2.gz HYIKICOTTOCRGM-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000925786223 635305006 /nfs/dbraw/zinc/30/50/06/635305006.db2.gz SHTJVWCYJMNMNI-IDTSFGKNSA-N 2 2 230.355 2.432 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522049 635367548 /nfs/dbraw/zinc/36/75/48/635367548.db2.gz KLBZJJVKENGCCE-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522049 635367556 /nfs/dbraw/zinc/36/75/56/635367556.db2.gz KLBZJJVKENGCCE-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174802 636352657 /nfs/dbraw/zinc/35/26/57/636352657.db2.gz BXMQBPRIKAWXPK-XQLPTFJDSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174802 636352665 /nfs/dbraw/zinc/35/26/65/636352665.db2.gz BXMQBPRIKAWXPK-XQLPTFJDSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174800 636353293 /nfs/dbraw/zinc/35/32/93/636353293.db2.gz BXMQBPRIKAWXPK-BYNSBNAKSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174800 636353296 /nfs/dbraw/zinc/35/32/96/636353296.db2.gz BXMQBPRIKAWXPK-BYNSBNAKSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197057 636376160 /nfs/dbraw/zinc/37/61/60/636376160.db2.gz JZTRBAPIDZAKIL-BARDWOONSA-N 2 2 234.387 2.273 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197057 636376162 /nfs/dbraw/zinc/37/61/62/636376162.db2.gz JZTRBAPIDZAKIL-BARDWOONSA-N 2 2 234.387 2.273 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252969568 636776931 /nfs/dbraw/zinc/77/69/31/636776931.db2.gz WEKNJFQEJLFKBL-MJBXVCDLSA-N 2 2 242.407 2.312 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252969567 636778256 /nfs/dbraw/zinc/77/82/56/636778256.db2.gz WEKNJFQEJLFKBL-IHRRRGAJSA-N 2 2 242.407 2.312 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792334 637383365 /nfs/dbraw/zinc/38/33/65/637383365.db2.gz UMVBRFOQMYSBBM-RFQIPJPRSA-N 2 2 220.360 2.025 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792334 637383370 /nfs/dbraw/zinc/38/33/70/637383370.db2.gz UMVBRFOQMYSBBM-RFQIPJPRSA-N 2 2 220.360 2.025 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792328 637384358 /nfs/dbraw/zinc/38/43/58/637384358.db2.gz UMVBRFOQMYSBBM-DGAVXFQQSA-N 2 2 220.360 2.025 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792328 637384366 /nfs/dbraw/zinc/38/43/66/637384366.db2.gz UMVBRFOQMYSBBM-DGAVXFQQSA-N 2 2 220.360 2.025 20 0 BEADLP CCc1cccc(Cl)c1C[NH2+]CC1([NH3+])CC1 ZINC000904443123 637411389 /nfs/dbraw/zinc/41/13/89/637411389.db2.gz HOHLUEUPCLEPPE-UHFFFAOYSA-N 2 2 238.762 2.483 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000904445599 637413958 /nfs/dbraw/zinc/41/39/58/637413958.db2.gz ZURFKDSKMXNYNE-GFCCVEGCSA-N 2 2 240.391 2.066 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000904450335 637415720 /nfs/dbraw/zinc/41/57/20/637415720.db2.gz RYTGZAGAIDODGL-UHFFFAOYSA-N 2 2 216.284 2.014 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000904450654 637415931 /nfs/dbraw/zinc/41/59/31/637415931.db2.gz SJPYYEHRPCFIAW-UHFFFAOYSA-N 2 2 234.274 2.153 20 0 BEADLP C(C[N@@H+]1CCCC2(CC2)CC1)[NH+]1CCCC1 ZINC000931334085 640163269 /nfs/dbraw/zinc/16/32/69/640163269.db2.gz GFLHVJNUQSGPFX-UHFFFAOYSA-N 2 2 222.376 2.348 20 0 BEADLP C(C[N@H+]1CCCC2(CC2)CC1)[NH+]1CCCC1 ZINC000931334085 640163286 /nfs/dbraw/zinc/16/32/86/640163286.db2.gz GFLHVJNUQSGPFX-UHFFFAOYSA-N 2 2 222.376 2.348 20 0 BEADLP Cc1ccc(OCC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044557627 640436719 /nfs/dbraw/zinc/43/67/19/640436719.db2.gz OIDZOSOIFMQQQE-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(OCC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044557627 640436723 /nfs/dbraw/zinc/43/67/23/640436723.db2.gz OIDZOSOIFMQQQE-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP c1cn(CC[NH2+][C@H](c2ccccn2)C2CC2)c[nH+]1 ZINC000932384854 640513940 /nfs/dbraw/zinc/51/39/40/640513940.db2.gz XNFIHUSYWYFMMX-AWEZNQCLSA-N 2 2 242.326 2.019 20 0 BEADLP C[NH+]1CCC2(CCN(c3cccc[nH+]3)CC2)CC1 ZINC000224246203 640606590 /nfs/dbraw/zinc/60/65/90/640606590.db2.gz UIISXJKQBIPGAD-UHFFFAOYSA-N 2 2 245.370 2.394 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CSC(C)(C)C)[NH+](C)C ZINC000167333063 640712935 /nfs/dbraw/zinc/71/29/35/640712935.db2.gz UGYIECAKBVJPKL-WDEREUQCSA-N 2 2 232.437 2.446 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000226334881 640748229 /nfs/dbraw/zinc/74/82/29/640748229.db2.gz XKOOMLHFFRIFEP-AWEZNQCLSA-N 2 2 247.386 2.389 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000226334881 640748231 /nfs/dbraw/zinc/74/82/31/640748231.db2.gz XKOOMLHFFRIFEP-AWEZNQCLSA-N 2 2 247.386 2.389 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740225 640759936 /nfs/dbraw/zinc/75/99/36/640759936.db2.gz HFWCYTOMWPRROS-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740225 640759942 /nfs/dbraw/zinc/75/99/42/640759942.db2.gz HFWCYTOMWPRROS-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740225 640759949 /nfs/dbraw/zinc/75/99/49/640759949.db2.gz HFWCYTOMWPRROS-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740225 640759955 /nfs/dbraw/zinc/75/99/55/640759955.db2.gz HFWCYTOMWPRROS-VHDGCEQUSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819282 640997186 /nfs/dbraw/zinc/99/71/86/640997186.db2.gz BXXDBJFCSCGFSU-GFCCVEGCSA-N 2 2 210.365 2.380 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccccc1F)Cn1cc[nH+]c1 ZINC000062254415 641029266 /nfs/dbraw/zinc/02/92/66/641029266.db2.gz LQQWNZRSLHBAAS-LBPRGKRZSA-N 2 2 247.317 2.448 20 0 BEADLP C[C@]1(C[NH+]2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000062867896 641103151 /nfs/dbraw/zinc/10/31/51/641103151.db2.gz DXCTYJSHHVKWTR-HNNXBMFYSA-N 2 2 230.355 2.392 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000232762073 641457786 /nfs/dbraw/zinc/45/77/86/641457786.db2.gz CRLKMPNVWXALNT-STQMWFEESA-N 2 2 242.407 2.025 20 0 BEADLP CC(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000324391855 641792168 /nfs/dbraw/zinc/79/21/68/641792168.db2.gz NFIQUCHJAUWLKH-GFCCVEGCSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000070359044 643018233 /nfs/dbraw/zinc/01/82/33/643018233.db2.gz FJVDITMYQVWMHY-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000070359046 643019730 /nfs/dbraw/zinc/01/97/30/643019730.db2.gz FJVDITMYQVWMHY-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCSCC1 ZINC000035258994 643105182 /nfs/dbraw/zinc/10/51/82/643105182.db2.gz AKZUEBHJUFEPLZ-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000082594791 643350691 /nfs/dbraw/zinc/35/06/91/643350691.db2.gz WUCSNUGDYKWKHU-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000082594791 643350696 /nfs/dbraw/zinc/35/06/96/643350696.db2.gz WUCSNUGDYKWKHU-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000921594771 643617027 /nfs/dbraw/zinc/61/70/27/643617027.db2.gz VMYORYVIJQNRGF-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(C)c1 ZINC000921594771 643617033 /nfs/dbraw/zinc/61/70/33/643617033.db2.gz VMYORYVIJQNRGF-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000921594769 643617922 /nfs/dbraw/zinc/61/79/22/643617922.db2.gz VMYORYVIJQNRGF-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC000921594769 643617926 /nfs/dbraw/zinc/61/79/26/643617926.db2.gz VMYORYVIJQNRGF-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH+](C)CC[C@@H]([NH2+]CC1CC1)c1cccnc1 ZINC000922633131 644046309 /nfs/dbraw/zinc/04/63/09/644046309.db2.gz YOZHIQYRYNCRRO-CQSZACIVSA-N 2 2 233.359 2.074 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCS[C@H](C)C2)n1C ZINC000922836475 644113449 /nfs/dbraw/zinc/11/34/49/644113449.db2.gz CMOCXRCAHBNLPT-MWLCHTKSSA-N 2 2 239.388 2.102 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCc1cccc(F)c1)C2 ZINC000923400392 644407720 /nfs/dbraw/zinc/40/77/20/644407720.db2.gz XZMWSZIEQUEHEC-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923400392 644407721 /nfs/dbraw/zinc/40/77/21/644407721.db2.gz XZMWSZIEQUEHEC-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CC1 ZINC000087259170 644486999 /nfs/dbraw/zinc/48/69/99/644486999.db2.gz KBEOWYUTGIFBNQ-LLVKDONJSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CC1 ZINC000087259170 644487001 /nfs/dbraw/zinc/48/70/01/644487001.db2.gz KBEOWYUTGIFBNQ-LLVKDONJSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CC1 ZINC000087259168 644487695 /nfs/dbraw/zinc/48/76/95/644487695.db2.gz KBEOWYUTGIFBNQ-NSHDSACASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CC1 ZINC000087259168 644487701 /nfs/dbraw/zinc/48/77/01/644487701.db2.gz KBEOWYUTGIFBNQ-NSHDSACASA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000087259120 644488129 /nfs/dbraw/zinc/48/81/29/644488129.db2.gz KIVJUTYIMVAAPM-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000087259120 644488131 /nfs/dbraw/zinc/48/81/31/644488131.db2.gz KIVJUTYIMVAAPM-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](C[NH2+]C1CC(C(F)F)C1)[NH+]1CCCCC1 ZINC000769491521 644682168 /nfs/dbraw/zinc/68/21/68/644682168.db2.gz PGMZVSJQXGZCHM-VOMCLLRMSA-N 2 2 246.345 2.494 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093742403 644698227 /nfs/dbraw/zinc/69/82/27/644698227.db2.gz MSRSUVDZLYYRHV-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093742403 644698231 /nfs/dbraw/zinc/69/82/31/644698231.db2.gz MSRSUVDZLYYRHV-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093742403 644698237 /nfs/dbraw/zinc/69/82/37/644698237.db2.gz MSRSUVDZLYYRHV-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093742403 644698240 /nfs/dbraw/zinc/69/82/40/644698240.db2.gz MSRSUVDZLYYRHV-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093770599 644699733 /nfs/dbraw/zinc/69/97/33/644699733.db2.gz ILNMWCUHHSKIOW-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093770599 644699739 /nfs/dbraw/zinc/69/97/39/644699739.db2.gz ILNMWCUHHSKIOW-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093770599 644699745 /nfs/dbraw/zinc/69/97/45/644699745.db2.gz ILNMWCUHHSKIOW-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093770599 644699749 /nfs/dbraw/zinc/69/97/49/644699749.db2.gz ILNMWCUHHSKIOW-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000248998782 644706895 /nfs/dbraw/zinc/70/68/95/644706895.db2.gz PVCAZOLJKKNOKQ-UONOGXRCSA-N 2 2 238.375 2.143 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000248998782 644706898 /nfs/dbraw/zinc/70/68/98/644706898.db2.gz PVCAZOLJKKNOKQ-UONOGXRCSA-N 2 2 238.375 2.143 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000248998784 644707514 /nfs/dbraw/zinc/70/75/14/644707514.db2.gz PVCAZOLJKKNOKQ-ZIAGYGMSSA-N 2 2 238.375 2.143 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000248998784 644707519 /nfs/dbraw/zinc/70/75/19/644707519.db2.gz PVCAZOLJKKNOKQ-ZIAGYGMSSA-N 2 2 238.375 2.143 20 0 BEADLP CCOCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925489501 645532159 /nfs/dbraw/zinc/53/21/59/645532159.db2.gz PXJREHQHFOWPQF-GXTWGEPZSA-N 2 2 236.359 2.091 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883093393 645848028 /nfs/dbraw/zinc/84/80/28/645848028.db2.gz UBZIMFIDFOOMRR-XJFOESAGSA-N 2 2 245.370 2.366 20 0 BEADLP CCOCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924523935 646045762 /nfs/dbraw/zinc/04/57/62/646045762.db2.gz CZKZOSPZGDBHHA-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CCOCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924523935 646045767 /nfs/dbraw/zinc/04/57/67/646045767.db2.gz CZKZOSPZGDBHHA-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP c1cn(CCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000924532786 646053319 /nfs/dbraw/zinc/05/33/19/646053319.db2.gz FVKHZCKCGXJVDH-MJBXVCDLSA-N 2 2 231.343 2.218 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924540663 646060079 /nfs/dbraw/zinc/06/00/79/646060079.db2.gz JJXMIVIFHAQSCZ-XQQFMLRXSA-N 2 2 222.376 2.271 20 0 BEADLP CC[C@H](C[C@](C)(O)CC)[NH2+]CC[NH+](CC)CC ZINC000924542827 646060965 /nfs/dbraw/zinc/06/09/65/646060965.db2.gz OMQUITCPAMIODS-ZIAGYGMSSA-N 2 2 244.423 2.248 20 0 BEADLP c1cn(CC[NH2+]C2CC3(C2)CCCC3)c[nH+]1 ZINC000924550245 646066071 /nfs/dbraw/zinc/06/60/71/646066071.db2.gz BFQBHUJRSKJZPH-UHFFFAOYSA-N 2 2 219.332 2.196 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(O)cc(F)c1 ZINC000924553154 646066944 /nfs/dbraw/zinc/06/69/44/646066944.db2.gz PRZCGGTVGOYYHG-SNVBAGLBSA-N 2 2 249.289 2.079 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925009262 646158190 /nfs/dbraw/zinc/15/81/90/646158190.db2.gz BKOWTHHLGUAOSC-UKMLZYKCSA-N 2 2 246.398 2.415 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925009262 646158193 /nfs/dbraw/zinc/15/81/93/646158193.db2.gz BKOWTHHLGUAOSC-UKMLZYKCSA-N 2 2 246.398 2.415 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ncco1 ZINC000925173542 646198705 /nfs/dbraw/zinc/19/87/05/646198705.db2.gz YRYBGEQBBGKOBG-QWRGUYRKSA-N 2 2 246.314 2.099 20 0 BEADLP CSC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925504726 646307009 /nfs/dbraw/zinc/30/70/09/646307009.db2.gz OGTAGTBDLAMROI-LOWVWBTDSA-N 2 2 238.400 2.416 20 0 BEADLP COC/C(C)=C/C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803261 646327773 /nfs/dbraw/zinc/32/77/73/646327773.db2.gz FTQNZRWHCPIFDU-KGVSQERTSA-N 2 2 249.358 2.182 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000925572972 646342684 /nfs/dbraw/zinc/34/26/84/646342684.db2.gz LEAKPENAPHEMKJ-UHTWSYAYSA-N 2 2 236.384 2.170 20 0 BEADLP CS[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925587077 646347643 /nfs/dbraw/zinc/34/76/43/646347643.db2.gz NBGXKGDJMPIBPQ-NQBHXWOUSA-N 2 2 238.400 2.416 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000925603084 646355309 /nfs/dbraw/zinc/35/53/09/646355309.db2.gz ZOKOJPUSGVROHL-ZDUSSCGKSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000925619539 646367443 /nfs/dbraw/zinc/36/74/43/646367443.db2.gz OSBXHYBSAXXGRJ-ZYHUDNBSSA-N 2 2 210.296 2.024 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000925669625 646399593 /nfs/dbraw/zinc/39/95/93/646399593.db2.gz CPEFTFPZPSNVIL-BDAKNGLRSA-N 2 2 236.281 2.059 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000925669626 646400151 /nfs/dbraw/zinc/40/01/51/646400151.db2.gz CPEFTFPZPSNVIL-DTWKUNHWSA-N 2 2 236.281 2.059 20 0 BEADLP CC[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])OC ZINC000925676527 646404643 /nfs/dbraw/zinc/40/46/43/646404643.db2.gz NLHPIABCYJYLBS-IACUBPJLSA-N 2 2 236.359 2.090 20 0 BEADLP CO[C@H](C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000925675283 646405020 /nfs/dbraw/zinc/40/50/20/646405020.db2.gz NCRNFXQQYZONIP-DFBGVHRSSA-N 2 2 248.370 2.090 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925694672 646420434 /nfs/dbraw/zinc/42/04/34/646420434.db2.gz PJCHMRJMJYYMFA-YUTCNCBUSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C=CCC1)c1ccccc1 ZINC000925713268 646439510 /nfs/dbraw/zinc/43/95/10/646439510.db2.gz TXHNAMCEPYBQPQ-UBHSHLNASA-N 2 2 216.328 2.383 20 0 BEADLP C/C=C\C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925720546 646445960 /nfs/dbraw/zinc/44/59/60/646445960.db2.gz YUGPZQYJDSSBEJ-ZMQQHQCJSA-N 2 2 204.317 2.241 20 0 BEADLP COCC1CC([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925730890 646454443 /nfs/dbraw/zinc/45/44/43/646454443.db2.gz XXEFSDQCYXKWKO-WZKVNAIUSA-N 2 2 248.370 2.090 20 0 BEADLP Cc1cc(N[C@H]2CC[NH2+]CC[C@H]2C)c[nH+]c1C ZINC000925765033 646466762 /nfs/dbraw/zinc/46/67/62/646466762.db2.gz CNPYRBBWCYDCRL-YGRLFVJLSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cc(N[C@H]2CC[NH2+]CC[C@@H]2C)c[nH+]c1C ZINC000925765030 646467212 /nfs/dbraw/zinc/46/72/12/646467212.db2.gz CNPYRBBWCYDCRL-HZMBPMFUSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)c[nH+]c1C ZINC000925768396 646468224 /nfs/dbraw/zinc/46/82/24/646468224.db2.gz JTEGFFGKCBHXQW-RNCFNFMXSA-N 2 2 219.332 2.108 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])c[nH+]c1C ZINC000925770522 646470711 /nfs/dbraw/zinc/47/07/11/646470711.db2.gz USJWBFJVJIJFEC-WCQYABFASA-N 2 2 219.332 2.238 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])c[nH+]c1C ZINC000925770523 646471646 /nfs/dbraw/zinc/47/16/46/646471646.db2.gz USJWBFJVJIJFEC-YPMHNXCESA-N 2 2 219.332 2.238 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000925773562 646473224 /nfs/dbraw/zinc/47/32/24/646473224.db2.gz DEQJELRFFYHXDL-BPLDGKMQSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925785345 646480624 /nfs/dbraw/zinc/48/06/24/646480624.db2.gz KQDPXOMRSTUBPE-OPRDCNLKSA-N 2 2 210.346 2.007 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925785182 646481521 /nfs/dbraw/zinc/48/15/21/646481521.db2.gz JWFBXALAGAGFEI-MRVWCRGKSA-N 2 2 218.344 2.335 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230054 646600507 /nfs/dbraw/zinc/60/05/07/646600507.db2.gz QPUMVKSPXLNJNL-IJLUTSLNSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccns1 ZINC000926230541 646600771 /nfs/dbraw/zinc/60/07/71/646600771.db2.gz VCEPNKQNFCGGPY-NXEZZACHSA-N 2 2 248.355 2.005 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926453752 646643167 /nfs/dbraw/zinc/64/31/67/646643167.db2.gz UYFXQPXKTFHPSG-SYQHCUMBSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926453752 646643172 /nfs/dbraw/zinc/64/31/72/646643172.db2.gz UYFXQPXKTFHPSG-SYQHCUMBSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926453750 646643853 /nfs/dbraw/zinc/64/38/53/646643853.db2.gz UYFXQPXKTFHPSG-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926453750 646643855 /nfs/dbraw/zinc/64/38/55/646643855.db2.gz UYFXQPXKTFHPSG-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)OC ZINC000926461032 646648186 /nfs/dbraw/zinc/64/81/86/646648186.db2.gz IQLAGGRXFDTHHQ-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)OC ZINC000926461032 646648187 /nfs/dbraw/zinc/64/81/87/646648187.db2.gz IQLAGGRXFDTHHQ-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP FCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926462683 646649155 /nfs/dbraw/zinc/64/91/55/646649155.db2.gz BKMHJHRHGRNZIB-CHWSQXEVSA-N 2 2 228.355 2.343 20 0 BEADLP FCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926462683 646649158 /nfs/dbraw/zinc/64/91/58/646649158.db2.gz BKMHJHRHGRNZIB-CHWSQXEVSA-N 2 2 228.355 2.343 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000926476298 646653485 /nfs/dbraw/zinc/65/34/85/646653485.db2.gz ZIWGEVMNPCXRFQ-ZJUUUORDSA-N 2 2 239.363 2.140 20 0 BEADLP Cl/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255883409 711671878 /nfs/dbraw/zinc/67/18/78/711671878.db2.gz XSYNTHWWFYTHBB-KTLBGCOUSA-N 2 2 228.767 2.157 20 0 BEADLP Cl/C=C\C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255883409 711671879 /nfs/dbraw/zinc/67/18/79/711671879.db2.gz XSYNTHWWFYTHBB-KTLBGCOUSA-N 2 2 228.767 2.157 20 0 BEADLP CSC1CC([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000706897503 712159782 /nfs/dbraw/zinc/15/97/82/712159782.db2.gz DSLQPSGLNNEJQB-CXQJBGSLSA-N 2 2 242.432 2.343 20 0 BEADLP CSC1CC([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000706897503 712159783 /nfs/dbraw/zinc/15/97/83/712159783.db2.gz DSLQPSGLNNEJQB-CXQJBGSLSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000713956793 712475195 /nfs/dbraw/zinc/47/51/95/712475195.db2.gz DOKWTBQZRGXABM-QJPTWQEYSA-N 2 2 230.421 2.200 20 0 BEADLP C[N@H+](C[C@H]1CCCC(C)(C)O1)C1(C[NH3+])CCC1 ZINC000714320783 712482335 /nfs/dbraw/zinc/48/23/35/712482335.db2.gz NYCUNPMCBDOWLP-GFCCVEGCSA-N 2 2 240.391 2.147 20 0 BEADLP C[N@@H+](C[C@H]1CCCC(C)(C)O1)C1(C[NH3+])CCC1 ZINC000714320783 712482336 /nfs/dbraw/zinc/48/23/36/712482336.db2.gz NYCUNPMCBDOWLP-GFCCVEGCSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccns1 ZINC000716018957 712546998 /nfs/dbraw/zinc/54/69/98/712546998.db2.gz CWVSAJGCBKIMSI-QWRGUYRKSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccns1 ZINC000716018957 712547000 /nfs/dbraw/zinc/54/70/00/712547000.db2.gz CWVSAJGCBKIMSI-QWRGUYRKSA-N 2 2 239.388 2.278 20 0 BEADLP Cc1coc(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000718117648 712744483 /nfs/dbraw/zinc/74/44/83/712744483.db2.gz XEKFJZVAODKNKN-NSHDSACASA-N 2 2 210.321 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000037712597 712744852 /nfs/dbraw/zinc/74/48/52/712744852.db2.gz JZYNGVQTNDHIDC-MRVPVSSYSA-N 2 2 232.249 2.315 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000721169354 712894003 /nfs/dbraw/zinc/89/40/03/712894003.db2.gz WEBZBGOAQOICLE-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000721169354 712894005 /nfs/dbraw/zinc/89/40/05/712894005.db2.gz WEBZBGOAQOICLE-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CO[C@@H](C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250423 711056278 /nfs/dbraw/zinc/05/62/78/711056278.db2.gz KHXCSVBFQBDBRQ-UONOGXRCSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@@H](C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250423 711056281 /nfs/dbraw/zinc/05/62/81/711056281.db2.gz KHXCSVBFQBDBRQ-UONOGXRCSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000388127255 711051642 /nfs/dbraw/zinc/05/16/42/711051642.db2.gz YBUMZALXUCLQHW-CYBMUJFWSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000388127255 711051645 /nfs/dbraw/zinc/05/16/45/711051645.db2.gz YBUMZALXUCLQHW-CYBMUJFWSA-N 2 2 218.344 2.164 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000393804965 711176213 /nfs/dbraw/zinc/17/62/13/711176213.db2.gz VYUWAODSUQMIGK-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396583515 711357354 /nfs/dbraw/zinc/35/73/54/711357354.db2.gz QEFJEFWQOLOZHN-ZYHUDNBSSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000381255901 710613907 /nfs/dbraw/zinc/61/39/07/710613907.db2.gz QUJTWAJLSVCUJM-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000381255901 710613909 /nfs/dbraw/zinc/61/39/09/710613909.db2.gz QUJTWAJLSVCUJM-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396645285 711363156 /nfs/dbraw/zinc/36/31/56/711363156.db2.gz BZANCNPZBDXXJZ-PWSUYJOCSA-N 2 2 224.373 2.287 20 0 BEADLP CSC(C)(C)CC[NH2+]CC1([NH+](C)C)CC1 ZINC000397853375 711393910 /nfs/dbraw/zinc/39/39/10/711393910.db2.gz VSDDMFWADQLZGW-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000723879518 711542126 /nfs/dbraw/zinc/54/21/26/711542126.db2.gz QBSTUWUYYIYDNS-OAHLLOKOSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cc(C)[nH+]c(CN2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)c1 ZINC000723879714 711542271 /nfs/dbraw/zinc/54/22/71/711542271.db2.gz QSXGUCGUPAFNBC-HZSPNIEDSA-N 2 2 247.386 2.269 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000235219144 711648309 /nfs/dbraw/zinc/64/83/09/711648309.db2.gz YXJHUIKCXXXRHV-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP COCC1(C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925711885 711711690 /nfs/dbraw/zinc/71/16/90/711711690.db2.gz FJEASUUXEVBOGM-GXTWGEPZSA-N 2 2 248.370 2.091 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153924 711727909 /nfs/dbraw/zinc/72/79/09/711727909.db2.gz WLPKXPZAPFMOHK-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC[NH3+] ZINC000037712877 711754961 /nfs/dbraw/zinc/75/49/61/711754961.db2.gz IHYRSVIOPMWKBC-JTQLQIEISA-N 2 2 218.300 2.351 20 0 BEADLP Cc1ccc(OCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159986741 711805076 /nfs/dbraw/zinc/80/50/76/711805076.db2.gz JWFIMIGQEZCEIM-HNNXBMFYSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccc(OCC[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159986741 711805078 /nfs/dbraw/zinc/80/50/78/711805078.db2.gz JWFIMIGQEZCEIM-HNNXBMFYSA-N 2 2 248.370 2.043 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000701828032 712030360 /nfs/dbraw/zinc/03/03/60/712030360.db2.gz KNCJXPGXAFPIQA-VHSXEESVSA-N 2 2 238.297 2.041 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000701828032 712030363 /nfs/dbraw/zinc/03/03/63/712030363.db2.gz KNCJXPGXAFPIQA-VHSXEESVSA-N 2 2 238.297 2.041 20 0 BEADLP CSC1CC([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000706897514 712159848 /nfs/dbraw/zinc/15/98/48/712159848.db2.gz DSLQPSGLNNEJQB-MOENNCHZSA-N 2 2 242.432 2.343 20 0 BEADLP CSC1CC([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000706897514 712159850 /nfs/dbraw/zinc/15/98/50/712159850.db2.gz DSLQPSGLNNEJQB-MOENNCHZSA-N 2 2 242.432 2.343 20 0 BEADLP CSC1CC([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000706929060 712161497 /nfs/dbraw/zinc/16/14/97/712161497.db2.gz SAQADTWTVKDMGA-HIFPTAJRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378922786 712367735 /nfs/dbraw/zinc/36/77/35/712367735.db2.gz QDGFRCIEMGHVEV-QNWHQSFQSA-N 2 2 219.332 2.050 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cn1 ZINC000713258437 712457032 /nfs/dbraw/zinc/45/70/32/712457032.db2.gz VVLWGIIYQWGQFX-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cn1 ZINC000713258437 712457033 /nfs/dbraw/zinc/45/70/33/712457033.db2.gz VVLWGIIYQWGQFX-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1nc(NC2CCC(C)([NH+](C)C)CC2)cc[nH+]1 ZINC000715588018 712527137 /nfs/dbraw/zinc/52/71/37/712527137.db2.gz ZFHAKUCBGRDQPX-UHFFFAOYSA-N 2 2 248.374 2.460 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccns1 ZINC000716018960 712546861 /nfs/dbraw/zinc/54/68/61/712546861.db2.gz CWVSAJGCBKIMSI-WDEREUQCSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccns1 ZINC000716018960 712546862 /nfs/dbraw/zinc/54/68/62/712546862.db2.gz CWVSAJGCBKIMSI-WDEREUQCSA-N 2 2 239.388 2.278 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCCC1 ZINC000037166727 712549514 /nfs/dbraw/zinc/54/95/14/712549514.db2.gz GELPPAGCIDRKAL-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717042055 712624682 /nfs/dbraw/zinc/62/46/82/712624682.db2.gz DQBNQGCNZKPWIN-ZJUUUORDSA-N 2 2 238.297 2.244 20 0 BEADLP CC(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717042055 712624683 /nfs/dbraw/zinc/62/46/83/712624683.db2.gz DQBNQGCNZKPWIN-ZJUUUORDSA-N 2 2 238.297 2.244 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1CC1 ZINC000037478554 712648312 /nfs/dbraw/zinc/64/83/12/712648312.db2.gz JKWSCFIQDCHIPN-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1CC1 ZINC000037478554 712648313 /nfs/dbraw/zinc/64/83/13/712648313.db2.gz JKWSCFIQDCHIPN-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000380132496 712691674 /nfs/dbraw/zinc/69/16/74/712691674.db2.gz TWCGWYQCQNICHN-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000380132496 712691676 /nfs/dbraw/zinc/69/16/76/712691676.db2.gz TWCGWYQCQNICHN-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000380132470 712691756 /nfs/dbraw/zinc/69/17/56/712691756.db2.gz TWCGWYQCQNICHN-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000380132470 712691759 /nfs/dbraw/zinc/69/17/59/712691759.db2.gz TWCGWYQCQNICHN-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CCC[NH2+]C2(C3CC3)CCC2)c[nH+]1 ZINC000717886127 712731323 /nfs/dbraw/zinc/73/13/23/712731323.db2.gz ZDDZOAQUWRFWTC-UHFFFAOYSA-N 2 2 219.332 2.196 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCC(C)(F)F ZINC000718573056 712775817 /nfs/dbraw/zinc/77/58/17/712775817.db2.gz TXDLDKOIQQTYAV-SNVBAGLBSA-N 2 2 220.307 2.106 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCC(C)(F)F ZINC000718573056 712775819 /nfs/dbraw/zinc/77/58/19/712775819.db2.gz TXDLDKOIQQTYAV-SNVBAGLBSA-N 2 2 220.307 2.106 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCCC1 ZINC000038028524 712800502 /nfs/dbraw/zinc/80/05/02/712800502.db2.gz LLNYFFJOIKVFCV-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CCCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088177 712806650 /nfs/dbraw/zinc/80/66/50/712806650.db2.gz RFWQLIZCEFEJPY-NEPJUHHUSA-N 2 2 200.370 2.495 20 0 BEADLP CCC(CC)C[N@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720901905 712875858 /nfs/dbraw/zinc/87/58/58/712875858.db2.gz ZHHPGNULEWNJME-NXEZZACHSA-N 2 2 238.297 2.244 20 0 BEADLP CCC(CC)C[N@@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720901905 712875860 /nfs/dbraw/zinc/87/58/60/712875860.db2.gz ZHHPGNULEWNJME-NXEZZACHSA-N 2 2 238.297 2.244 20 0 BEADLP c1ccc(CCC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720918727 712878469 /nfs/dbraw/zinc/87/84/69/712878469.db2.gz JMBIJBFQLUECHN-HOTGVXAUSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720918727 712878470 /nfs/dbraw/zinc/87/84/70/712878470.db2.gz JMBIJBFQLUECHN-HOTGVXAUSA-N 2 2 244.382 2.446 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000720921174 712878505 /nfs/dbraw/zinc/87/85/05/712878505.db2.gz YTRAHBUTXXPQFN-SDDRHHMPSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000720921174 712878506 /nfs/dbraw/zinc/87/85/06/712878506.db2.gz YTRAHBUTXXPQFN-SDDRHHMPSA-N 2 2 244.329 2.248 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCC1 ZINC000380354072 712892799 /nfs/dbraw/zinc/89/27/99/712892799.db2.gz WHKOPDFPNJLOJR-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCC1 ZINC000380354072 712892802 /nfs/dbraw/zinc/89/28/02/712892802.db2.gz WHKOPDFPNJLOJR-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000721166067 712893540 /nfs/dbraw/zinc/89/35/40/712893540.db2.gz GAUDSIQNPAUVHC-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP Cc1c[nH+]cc(N(CCC[NH3+])C(C)C)c1C ZINC001164127409 965749444 /nfs/dbraw/zinc/74/94/44/965749444.db2.gz VMBLBISATCIQDI-UHFFFAOYSA-N 2 2 221.348 2.262 20 0 BEADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@H]([NH3+])C2)o1 ZINC001236169581 966282769 /nfs/dbraw/zinc/28/27/69/966282769.db2.gz LDKNVWWAUOOSST-PWSUYJOCSA-N 2 2 222.332 2.115 20 0 BEADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]([NH3+])C2)o1 ZINC001236169581 966282777 /nfs/dbraw/zinc/28/27/77/966282777.db2.gz LDKNVWWAUOOSST-PWSUYJOCSA-N 2 2 222.332 2.115 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001205102448 967346558 /nfs/dbraw/zinc/34/65/58/967346558.db2.gz SHSBCUDAQXLIKH-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001205102448 967346561 /nfs/dbraw/zinc/34/65/61/967346561.db2.gz SHSBCUDAQXLIKH-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP CC[N@H+](CCNc1cc(C)cc[nH+]1)C1CC1 ZINC000230147135 1166219536 /nfs/dbraw/zinc/21/95/36/1166219536.db2.gz NLODOOMWUDDNAQ-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP CC[N@@H+](CCNc1cc(C)cc[nH+]1)C1CC1 ZINC000230147135 1166219543 /nfs/dbraw/zinc/21/95/43/1166219543.db2.gz NLODOOMWUDDNAQ-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(C)c1 ZINC000042435916 1166246519 /nfs/dbraw/zinc/24/65/19/1166246519.db2.gz FAPKUNFZMHKEPG-ZDUSSCGKSA-N 2 2 206.333 2.164 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C)c1 ZINC000042435916 1166246527 /nfs/dbraw/zinc/24/65/27/1166246527.db2.gz FAPKUNFZMHKEPG-ZDUSSCGKSA-N 2 2 206.333 2.164 20 0 BEADLP Cc1cc(-n2cccc2C[NH3+])ccc1[NH+](C)C ZINC001167596065 1166298150 /nfs/dbraw/zinc/29/81/50/1166298150.db2.gz UBDZUZTWQZIGHG-UHFFFAOYSA-N 2 2 229.327 2.310 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](C)C(F)(F)F ZINC001208902382 969290959 /nfs/dbraw/zinc/29/09/59/969290959.db2.gz RIRKPGRJZSMCKC-SNVBAGLBSA-N 2 2 249.280 2.403 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccco1 ZINC000250374003 1166394878 /nfs/dbraw/zinc/39/48/78/1166394878.db2.gz WDUGZXFUFMPYIY-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccco1 ZINC000250374003 1166394885 /nfs/dbraw/zinc/39/48/85/1166394885.db2.gz WDUGZXFUFMPYIY-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000253177992 1166396364 /nfs/dbraw/zinc/39/63/64/1166396364.db2.gz BJVODUYBMXVKRV-AGIUHOORSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000253177992 1166396369 /nfs/dbraw/zinc/39/63/69/1166396369.db2.gz BJVODUYBMXVKRV-AGIUHOORSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@H](OC(C)C)C2)c(C)[nH+]1 ZINC000724776030 1166410567 /nfs/dbraw/zinc/41/05/67/1166410567.db2.gz UCPGBEXQVYSYNQ-LBPRGKRZSA-N 2 2 237.347 2.026 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@H](OC(C)C)C2)c(C)[nH+]1 ZINC000724776030 1166410572 /nfs/dbraw/zinc/41/05/72/1166410572.db2.gz UCPGBEXQVYSYNQ-LBPRGKRZSA-N 2 2 237.347 2.026 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC000228717697 1166421493 /nfs/dbraw/zinc/42/14/93/1166421493.db2.gz RZBJTDXNLODDCG-UHFFFAOYSA-N 2 2 232.371 2.265 20 0 BEADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC001255273773 970024534 /nfs/dbraw/zinc/02/45/34/970024534.db2.gz FRIOCEIUPUZUIC-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC001255273773 970024542 /nfs/dbraw/zinc/02/45/42/970024542.db2.gz FRIOCEIUPUZUIC-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000395050486 1166610572 /nfs/dbraw/zinc/61/05/72/1166610572.db2.gz BKZKVHIXRZZVBR-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(Cl)cc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000395050486 1166610577 /nfs/dbraw/zinc/61/05/77/1166610577.db2.gz BKZKVHIXRZZVBR-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925664232 1166697807 /nfs/dbraw/zinc/69/78/07/1166697807.db2.gz DLYJFMWKEYNATI-QMMMGPOBSA-N 2 2 238.297 2.305 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH+]1CCC([NH+](C)C)CC1 ZINC001255645659 970419636 /nfs/dbraw/zinc/41/96/36/970419636.db2.gz IFOPQPKRTNEQJK-VIFPVBQESA-N 2 2 238.297 2.353 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC001170160197 970498381 /nfs/dbraw/zinc/49/83/81/970498381.db2.gz YFCKKLXJBSYVLN-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@H](C)C1 ZINC001170160197 970498392 /nfs/dbraw/zinc/49/83/92/970498392.db2.gz YFCKKLXJBSYVLN-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1ccno1 ZINC001255954353 970590943 /nfs/dbraw/zinc/59/09/43/970590943.db2.gz CMCGESAUQPLYRF-RYUDHWBXSA-N 2 2 239.363 2.446 20 0 BEADLP C1C[C@H]2C[N@@H+](C3CCCCC3)CCC[NH+]2C1 ZINC000227415028 1166869692 /nfs/dbraw/zinc/86/96/92/1166869692.db2.gz FRYTXEQOBFADPO-AWEZNQCLSA-N 2 2 222.376 2.489 20 0 BEADLP C1C[C@H]2C[N@H+](C3CCCCC3)CCC[NH+]2C1 ZINC000227415028 1166869699 /nfs/dbraw/zinc/86/96/99/1166869699.db2.gz FRYTXEQOBFADPO-AWEZNQCLSA-N 2 2 222.376 2.489 20 0 BEADLP C1C[C@H]2C[NH+](C3CCCCC3)CCC[N@@H+]2C1 ZINC000227415028 1166869706 /nfs/dbraw/zinc/86/97/06/1166869706.db2.gz FRYTXEQOBFADPO-AWEZNQCLSA-N 2 2 222.376 2.489 20 0 BEADLP C1C[C@H]2C[NH+](C3CCCCC3)CCC[N@H+]2C1 ZINC000227415028 1166869715 /nfs/dbraw/zinc/86/97/15/1166869715.db2.gz FRYTXEQOBFADPO-AWEZNQCLSA-N 2 2 222.376 2.489 20 0 BEADLP CC(C)CC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001256352775 970740775 /nfs/dbraw/zinc/74/07/75/970740775.db2.gz KJHAMPSYXXKASZ-NSHDSACASA-N 2 2 209.337 2.382 20 0 BEADLP CC[NH+](CC)C1CCC([NH+]2CC(F)C2)CC1 ZINC001173108598 975024407 /nfs/dbraw/zinc/02/44/07/975024407.db2.gz OUAWNEAUYZVNFF-UHFFFAOYSA-N 2 2 228.355 2.293 20 0 BEADLP Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000227078393 1166994957 /nfs/dbraw/zinc/99/49/57/1166994957.db2.gz KPYZFIAUQCJZJR-CMPLNLGQSA-N 2 2 248.374 2.082 20 0 BEADLP CCSC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001173302425 975204050 /nfs/dbraw/zinc/20/40/50/975204050.db2.gz RDXAMZNTJBNJEP-LLVKDONJSA-N 2 2 230.421 2.154 20 0 BEADLP CCSC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001173302425 975204062 /nfs/dbraw/zinc/20/40/62/975204062.db2.gz RDXAMZNTJBNJEP-LLVKDONJSA-N 2 2 230.421 2.154 20 0 BEADLP c1cc2c(cccc2C[N@@H+]2CCC[NH2+]CC2)o1 ZINC001204684572 1167345243 /nfs/dbraw/zinc/34/52/43/1167345243.db2.gz JQUXHMMKZNMEQJ-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP c1cc2c(cccc2C[N@H+]2CCC[NH2+]CC2)o1 ZINC001204684572 1167345248 /nfs/dbraw/zinc/34/52/48/1167345248.db2.gz JQUXHMMKZNMEQJ-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP CC(C)([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000215649259 1167459933 /nfs/dbraw/zinc/45/99/33/1167459933.db2.gz HDTWYUCTOKJHFU-CYBMUJFWSA-N 2 2 236.334 2.402 20 0 BEADLP C[C@@H]([NH2+]CC[C@H](C)[NH+](C)C)c1ccccn1 ZINC000697886195 1167554303 /nfs/dbraw/zinc/55/43/03/1167554303.db2.gz HFIWYFNOJLTHTC-NWDGAFQWSA-N 2 2 221.348 2.072 20 0 BEADLP C[N@H+](C1CCCCC1)C1CC[NH+](C)CC1 ZINC000201475922 1167570904 /nfs/dbraw/zinc/57/09/04/1167570904.db2.gz QRYGLUCKEGNGJC-UHFFFAOYSA-N 2 2 210.365 2.345 20 0 BEADLP C[N@@H+](C1CCCCC1)C1CC[NH+](C)CC1 ZINC000201475922 1167570909 /nfs/dbraw/zinc/57/09/09/1167570909.db2.gz QRYGLUCKEGNGJC-UHFFFAOYSA-N 2 2 210.365 2.345 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CC[NH2+]C[C@H](C)C2)C[C@@H](C)C1 ZINC000252210591 1167760056 /nfs/dbraw/zinc/76/00/56/1167760056.db2.gz YAORBTKORYMJCF-RFQIPJPRSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CC[NH2+]C[C@H](C)C2)C[C@@H](C)C1 ZINC000252210591 1167760065 /nfs/dbraw/zinc/76/00/65/1167760065.db2.gz YAORBTKORYMJCF-RFQIPJPRSA-N 2 2 224.392 2.352 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235263755 1167783843 /nfs/dbraw/zinc/78/38/43/1167783843.db2.gz VDTFGLKJWJBOGA-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235263755 1167783848 /nfs/dbraw/zinc/78/38/48/1167783848.db2.gz VDTFGLKJWJBOGA-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212585 978999495 /nfs/dbraw/zinc/99/94/95/978999495.db2.gz FQINRTSCRLZNSS-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212585 978999507 /nfs/dbraw/zinc/99/95/07/978999507.db2.gz FQINRTSCRLZNSS-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)CCc1ccccc1F ZINC001236861298 979762716 /nfs/dbraw/zinc/76/27/16/979762716.db2.gz ZKTXYSFBVAIEBI-LBPRGKRZSA-N 2 2 224.323 2.037 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccccc1F ZINC001236861298 979762728 /nfs/dbraw/zinc/76/27/28/979762728.db2.gz ZKTXYSFBVAIEBI-LBPRGKRZSA-N 2 2 224.323 2.037 20 0 BEADLP CC(C)CC[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000336758054 1168451101 /nfs/dbraw/zinc/45/11/01/1168451101.db2.gz KJFKKPWDERCVMH-LBPRGKRZSA-N 2 2 230.421 2.059 20 0 BEADLP COC1CCC([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000130034434 1168837324 /nfs/dbraw/zinc/83/73/24/1168837324.db2.gz ZPDWLKRUUGGGMX-HSBZDZAISA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000110926769 1168984638 /nfs/dbraw/zinc/98/46/38/1168984638.db2.gz UTAFLRTUHHEWEQ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c1C ZINC000110926769 1168984648 /nfs/dbraw/zinc/98/46/48/1168984648.db2.gz UTAFLRTUHHEWEQ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202190301 983592702 /nfs/dbraw/zinc/59/27/02/983592702.db2.gz NOAQXSRFJVFOON-ZIAGYGMSSA-N 2 2 222.376 2.203 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202190301 983592705 /nfs/dbraw/zinc/59/27/05/983592705.db2.gz NOAQXSRFJVFOON-ZIAGYGMSSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001202190301 983592712 /nfs/dbraw/zinc/59/27/12/983592712.db2.gz NOAQXSRFJVFOON-ZIAGYGMSSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001202190301 983592717 /nfs/dbraw/zinc/59/27/17/983592717.db2.gz NOAQXSRFJVFOON-ZIAGYGMSSA-N 2 2 222.376 2.203 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172433417 974718991 /nfs/dbraw/zinc/71/89/91/974718991.db2.gz IJVQCMFHCBERAU-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1[nH+]cn([C@H](C)CCOC(C)C)c1CC[NH3+] ZINC001172437495 974794007 /nfs/dbraw/zinc/79/40/07/974794007.db2.gz HTZHWUHTFMODTO-LLVKDONJSA-N 2 2 239.363 2.069 20 0 BEADLP CC(C)COCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001172457303 974821340 /nfs/dbraw/zinc/82/13/40/974821340.db2.gz ODCREQDQZNUJBE-LBPRGKRZSA-N 2 2 239.363 2.008 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570127 972838459 /nfs/dbraw/zinc/83/84/59/972838459.db2.gz SWSYFBWNQJQSDD-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570127 972838467 /nfs/dbraw/zinc/83/84/67/972838467.db2.gz SWSYFBWNQJQSDD-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c[nH+]c1C ZINC001162982968 1169452983 /nfs/dbraw/zinc/45/29/83/1169452983.db2.gz PJJXOVUAYJXONO-UONOGXRCSA-N 2 2 231.343 2.395 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001256720872 970940531 /nfs/dbraw/zinc/94/05/31/970940531.db2.gz ZZSOBSSSXNSQTC-ZIAGYGMSSA-N 2 2 247.386 2.087 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403626771 970997503 /nfs/dbraw/zinc/99/75/03/970997503.db2.gz JIRAGPIJRBTSHJ-YHWZYXNKSA-N 2 2 242.432 2.344 20 0 BEADLP CNc1cc(Nc2[nH+]cc(C)cc2N)cc[nH+]1 ZINC001216333166 971042941 /nfs/dbraw/zinc/04/29/41/971042941.db2.gz JIBYMASEBHFETA-UHFFFAOYSA-N 2 2 229.287 2.153 20 0 BEADLP CCC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001257315396 971213013 /nfs/dbraw/zinc/21/30/13/971213013.db2.gz WVAPWLALLKSEJM-NSHDSACASA-N 2 2 208.305 2.239 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(C)s1 ZINC000405848195 971309805 /nfs/dbraw/zinc/30/98/05/971309805.db2.gz KXJJKTOHHFIDDU-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(C)s1 ZINC000405848195 971309811 /nfs/dbraw/zinc/30/98/11/971309811.db2.gz KXJJKTOHHFIDDU-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405835613 971312548 /nfs/dbraw/zinc/31/25/48/971312548.db2.gz HAJOJXWIDKJQSF-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405835613 971312559 /nfs/dbraw/zinc/31/25/59/971312559.db2.gz HAJOJXWIDKJQSF-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257446930 971363958 /nfs/dbraw/zinc/36/39/58/971363958.db2.gz SXMNIEHUKWFRDR-GFCCVEGCSA-N 2 2 233.359 2.439 20 0 BEADLP CC(C)C[NH+]1CCC([NH2+]C2(CF)CC2)CC1 ZINC001258001447 971554699 /nfs/dbraw/zinc/55/46/99/971554699.db2.gz RDYIRZDJOSEEJN-UHFFFAOYSA-N 2 2 228.355 2.199 20 0 BEADLP C[N@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170741247 971687786 /nfs/dbraw/zinc/68/77/86/971687786.db2.gz UBTAYPCRTCFGBL-BTTYYORXSA-N 2 2 236.403 2.447 20 0 BEADLP C[N@@H+]([C@H]1C[C@@H]2[C@H](C1)C2(C)C)C1CC[NH+](C)CC1 ZINC001170741247 971687790 /nfs/dbraw/zinc/68/77/90/971687790.db2.gz UBTAYPCRTCFGBL-BTTYYORXSA-N 2 2 236.403 2.447 20 0 BEADLP C[C@@H]([NH3+])CCNc1[nH+]cccc1-n1cccc1 ZINC001170889099 972035705 /nfs/dbraw/zinc/03/57/05/972035705.db2.gz JIMZPVUGSLXDIY-LLVKDONJSA-N 2 2 230.315 2.022 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246085116 972138131 /nfs/dbraw/zinc/13/81/31/972138131.db2.gz GQYQAHCRRYXEKO-ZDEQEGDKSA-N 2 2 230.371 2.491 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC(C)(C)C1 ZINC001246111882 972176861 /nfs/dbraw/zinc/17/68/61/972176861.db2.gz OSIJVSYVKMBJDW-RNJOBUHISA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@@H]1C ZINC001246114457 972180065 /nfs/dbraw/zinc/18/00/65/972180065.db2.gz VSOCZIRTRBZEQW-MOLYVOAJSA-N 2 2 228.355 2.101 20 0 BEADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)C1 ZINC001208609112 957098037 /nfs/dbraw/zinc/09/80/37/957098037.db2.gz YDDFORKMBDPBSR-RWMBFGLXSA-N 2 2 246.345 2.100 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(F)[C@@H](F)C2)C1 ZINC001208609112 957098014 /nfs/dbraw/zinc/09/80/14/957098014.db2.gz YDDFORKMBDPBSR-RWMBFGLXSA-N 2 2 246.345 2.100 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(F)[C@@H](F)C2)C1 ZINC001208609112 957098021 /nfs/dbraw/zinc/09/80/21/957098021.db2.gz YDDFORKMBDPBSR-RWMBFGLXSA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)C1 ZINC001208609112 957098027 /nfs/dbraw/zinc/09/80/27/957098027.db2.gz YDDFORKMBDPBSR-RWMBFGLXSA-N 2 2 246.345 2.100 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246248523 972248930 /nfs/dbraw/zinc/24/89/30/972248930.db2.gz YNOYVXDSTGRKTR-AAEUAGOBSA-N 2 2 243.354 2.398 20 0 BEADLP C[C@H]1CCCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209729868 957525343 /nfs/dbraw/zinc/52/53/43/957525343.db2.gz CZUFZYZGWJLRKZ-NSHDSACASA-N 2 2 219.332 2.259 20 0 BEADLP C[C@H]1CCCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209729868 957525347 /nfs/dbraw/zinc/52/53/47/957525347.db2.gz CZUFZYZGWJLRKZ-NSHDSACASA-N 2 2 219.332 2.259 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2ccccc2)C[NH2+]1 ZINC000399133936 958535472 /nfs/dbraw/zinc/53/54/72/958535472.db2.gz PIRZHRNBMZNOKF-UNQGMJICSA-N 2 2 230.355 2.273 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399230140 958572794 /nfs/dbraw/zinc/57/27/94/958572794.db2.gz OXJOXILHQWHIMA-YRGRVCCFSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391973 958692017 /nfs/dbraw/zinc/69/20/17/958692017.db2.gz CITUQLBBDGMZRH-LRDDRELGSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391973 958692031 /nfs/dbraw/zinc/69/20/31/958692031.db2.gz CITUQLBBDGMZRH-LRDDRELGSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391976 958695037 /nfs/dbraw/zinc/69/50/37/958695037.db2.gz CITUQLBBDGMZRH-MLGOLLRUSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391976 958695046 /nfs/dbraw/zinc/69/50/46/958695046.db2.gz CITUQLBBDGMZRH-MLGOLLRUSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246526824 972399761 /nfs/dbraw/zinc/39/97/61/972399761.db2.gz BUTATDPEAJJRNS-GXTWGEPZSA-N 2 2 248.395 2.127 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246526824 972399776 /nfs/dbraw/zinc/39/97/76/972399776.db2.gz BUTATDPEAJJRNS-GXTWGEPZSA-N 2 2 248.395 2.127 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000693891266 959478243 /nfs/dbraw/zinc/47/82/43/959478243.db2.gz RKGRTWBYNNDGTM-OLZOCXBDSA-N 2 2 238.375 2.142 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000693891266 959478252 /nfs/dbraw/zinc/47/82/52/959478252.db2.gz RKGRTWBYNNDGTM-OLZOCXBDSA-N 2 2 238.375 2.142 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246530700 972436011 /nfs/dbraw/zinc/43/60/11/972436011.db2.gz NXLXFAOVIFAQPH-WFASDCNBSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@]1([NH3+])CC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001246530700 972436017 /nfs/dbraw/zinc/43/60/17/972436017.db2.gz NXLXFAOVIFAQPH-WFASDCNBSA-N 2 2 248.345 2.106 20 0 BEADLP C[NH2+]CCNc1nc(C(C)(C)C)[nH+]c(C)c1C ZINC001167723418 960226577 /nfs/dbraw/zinc/22/65/77/960226577.db2.gz TUDMLJSAOJWIGB-UHFFFAOYSA-N 2 2 236.363 2.022 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1(Cl)CC1 ZINC000695656815 960330041 /nfs/dbraw/zinc/33/00/41/960330041.db2.gz FOHUTTOCTQDLMD-JTQLQIEISA-N 2 2 227.739 2.023 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1(Cl)CC1 ZINC000695655403 960330409 /nfs/dbraw/zinc/33/04/09/960330409.db2.gz MIBVZSDEYFCKMJ-SDDRHHMPSA-N 2 2 242.794 2.363 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1(Cl)CC1 ZINC000695655403 960330420 /nfs/dbraw/zinc/33/04/20/960330420.db2.gz MIBVZSDEYFCKMJ-SDDRHHMPSA-N 2 2 242.794 2.363 20 0 BEADLP CC(C)[N@H+](Cc1cc[nH]c1)C1CC[NH+](C)CC1 ZINC001140710350 960527433 /nfs/dbraw/zinc/52/74/33/960527433.db2.gz GHGOWMUEENEPTE-UHFFFAOYSA-N 2 2 235.375 2.319 20 0 BEADLP CC(C)[N@@H+](Cc1cc[nH]c1)C1CC[NH+](C)CC1 ZINC001140710350 960527442 /nfs/dbraw/zinc/52/74/42/960527442.db2.gz GHGOWMUEENEPTE-UHFFFAOYSA-N 2 2 235.375 2.319 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)O1 ZINC001140799384 960582621 /nfs/dbraw/zinc/58/26/21/960582621.db2.gz BNWNOGQAUYKBFQ-PHIMTYICSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)O1 ZINC001140799384 960582635 /nfs/dbraw/zinc/58/26/35/960582635.db2.gz BNWNOGQAUYKBFQ-PHIMTYICSA-N 2 2 245.326 2.172 20 0 BEADLP F[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802604 960595791 /nfs/dbraw/zinc/59/57/91/960595791.db2.gz AKOLKJFEBAWJPW-NSHDSACASA-N 2 2 233.290 2.497 20 0 BEADLP F[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802604 960595797 /nfs/dbraw/zinc/59/57/97/960595797.db2.gz AKOLKJFEBAWJPW-NSHDSACASA-N 2 2 233.290 2.497 20 0 BEADLP F[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802552 960598145 /nfs/dbraw/zinc/59/81/45/960598145.db2.gz YSHSTIMSLXTANS-JTQLQIEISA-N 2 2 219.263 2.107 20 0 BEADLP F[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802552 960598150 /nfs/dbraw/zinc/59/81/50/960598150.db2.gz YSHSTIMSLXTANS-JTQLQIEISA-N 2 2 219.263 2.107 20 0 BEADLP c1cn2ccc(C[NH+]3CC4CC(C4)C3)cc2[nH+]1 ZINC001141049493 960840949 /nfs/dbraw/zinc/84/09/49/960840949.db2.gz HOHDIZPNBJXBBV-UHFFFAOYSA-N 2 2 227.311 2.176 20 0 BEADLP Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc(C(C)C)[nH+]1 ZINC000709785251 961565367 /nfs/dbraw/zinc/56/53/67/961565367.db2.gz FEKMULQLFOTOBK-PHIMTYICSA-N 2 2 248.374 2.095 20 0 BEADLP Cc1nc(NC[C@@H]2CCCC[NH2+]2)cc(C(C)C)[nH+]1 ZINC000709799156 961573861 /nfs/dbraw/zinc/57/38/61/961573861.db2.gz NXTKUDDRTAKVPZ-LBPRGKRZSA-N 2 2 248.374 2.462 20 0 BEADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(C2CCC2)CC1 ZINC000692926083 961745752 /nfs/dbraw/zinc/74/57/52/961745752.db2.gz ZLKHPUVMIXQYCG-GFCCVEGCSA-N 2 2 246.345 2.481 20 0 BEADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167918187 961899580 /nfs/dbraw/zinc/89/95/80/961899580.db2.gz GWKLOYFNDAKPQT-FZKCQIBNSA-N 2 2 242.366 2.171 20 0 BEADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167918187 961899581 /nfs/dbraw/zinc/89/95/81/961899581.db2.gz GWKLOYFNDAKPQT-FZKCQIBNSA-N 2 2 242.366 2.171 20 0 BEADLP Cc1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155053103 962951259 /nfs/dbraw/zinc/95/12/59/962951259.db2.gz LGFUJDKHBIBZIF-UHFFFAOYSA-N 2 2 242.326 2.043 20 0 BEADLP Cc1c[nH+]c(N[C@H](C)C[NH+](C)C)cc1C ZINC001155921208 963204231 /nfs/dbraw/zinc/20/42/31/963204231.db2.gz MICOGZIGMBOKFE-LLVKDONJSA-N 2 2 207.321 2.060 20 0 BEADLP COc1cc[nH+]c(N2CC[C@@H]([N@H+](C)C(C)C)C2)c1 ZINC001157002486 963510297 /nfs/dbraw/zinc/51/02/97/963510297.db2.gz ZHPCLLPUZNEDSX-GFCCVEGCSA-N 2 2 249.358 2.009 20 0 BEADLP COc1cc[nH+]c(N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1 ZINC001157002486 963510302 /nfs/dbraw/zinc/51/03/02/963510302.db2.gz ZHPCLLPUZNEDSX-GFCCVEGCSA-N 2 2 249.358 2.009 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c(C)c1 ZINC001204782315 963531312 /nfs/dbraw/zinc/53/13/12/963531312.db2.gz CYYUEXLIYHJXNY-HNNXBMFYSA-N 2 2 248.370 2.235 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)c(C)c1 ZINC001204782315 963531323 /nfs/dbraw/zinc/53/13/23/963531323.db2.gz CYYUEXLIYHJXNY-HNNXBMFYSA-N 2 2 248.370 2.235 20 0 BEADLP CCN(CCn1cc[nH+]c1)c1cc(C)c(C)c[nH+]1 ZINC001157466281 963623647 /nfs/dbraw/zinc/62/36/47/963623647.db2.gz JMUCHDSHTHPNRP-UHFFFAOYSA-N 2 2 244.342 2.421 20 0 BEADLP C[C@H]1C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC001168139440 963843126 /nfs/dbraw/zinc/84/31/26/963843126.db2.gz SRNKHBQTGQMFCL-GXTWGEPZSA-N 2 2 249.358 2.088 20 0 BEADLP CC[N@@H+]1CCN(c2cc(OC)cc[nH+]2)C(C)(C)C1 ZINC001158560649 963886223 /nfs/dbraw/zinc/88/62/23/963886223.db2.gz FQPUGTGUGQUGTP-UHFFFAOYSA-N 2 2 249.358 2.011 20 0 BEADLP CC[N@H+]1CCN(c2cc(OC)cc[nH+]2)C(C)(C)C1 ZINC001158560649 963886225 /nfs/dbraw/zinc/88/62/25/963886225.db2.gz FQPUGTGUGQUGTP-UHFFFAOYSA-N 2 2 249.358 2.011 20 0 BEADLP CCOc1cc[nH+]cc1NC1=C[NH2+]CCC1 ZINC001159203689 964015472 /nfs/dbraw/zinc/01/54/72/964015472.db2.gz JWDSODQOCHJPHG-UHFFFAOYSA-N 2 2 219.288 2.117 20 0 BEADLP CCOc1cc(NC=C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001159253691 964034657 /nfs/dbraw/zinc/03/46/57/964034657.db2.gz FKDZOMPBMOZDOY-UHFFFAOYSA-N 2 2 247.342 2.468 20 0 BEADLP COc1cc(NC=CC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001159287681 964048357 /nfs/dbraw/zinc/04/83/57/964048357.db2.gz FVDHPDTTYMSFQM-VMPITWQZSA-N 2 2 247.342 2.324 20 0 BEADLP CSc1cc(NC=C2CC[NH2+]CC2)cc[nH+]1 ZINC001159372134 964067229 /nfs/dbraw/zinc/06/72/29/964067229.db2.gz QUEXDTADUTZDIK-UHFFFAOYSA-N 2 2 235.356 2.483 20 0 BEADLP C(=CC1CC[NH2+]CC1)Nc1ccn2cc[nH+]c2c1 ZINC001159399580 964080535 /nfs/dbraw/zinc/08/05/35/964080535.db2.gz DGGZWXHGTQAKHW-XVNBXDOJSA-N 2 2 242.326 2.260 20 0 BEADLP CC(C)[NH+]1CC(Nc2cc3[nH+]c[nH]c3cc2F)C1 ZINC001168317477 964434433 /nfs/dbraw/zinc/43/44/33/964434433.db2.gz NJFGDPXYODFADP-UHFFFAOYSA-N 2 2 248.305 2.207 20 0 BEADLP CCc1ncc(C[NH2+]CC[C@@H](C)[NH+](C)C)s1 ZINC000697914998 964676554 /nfs/dbraw/zinc/67/65/54/964676554.db2.gz FGCCHTQSGYELAC-SNVBAGLBSA-N 2 2 241.404 2.135 20 0 BEADLP C[NH+](C)CCCCNc1c[nH+]c2c(c1)CCC2 ZINC001161731272 964720430 /nfs/dbraw/zinc/72/04/30/964720430.db2.gz YNZAUEBZRCOCGU-UHFFFAOYSA-N 2 2 233.359 2.324 20 0 BEADLP CCc1cc(N[C@]2(C)CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC001162336584 964936713 /nfs/dbraw/zinc/93/67/13/964936713.db2.gz FCFHTAFWEJAVKY-CQSZACIVSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1cc(N[C@]2(C)CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC001162336584 964936714 /nfs/dbraw/zinc/93/67/14/964936714.db2.gz FCFHTAFWEJAVKY-CQSZACIVSA-N 2 2 248.374 2.244 20 0 BEADLP Cc1[nH+]cccc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162465193 964988179 /nfs/dbraw/zinc/98/81/79/964988179.db2.gz DKUQPTMDGFPTDI-YPMHNXCESA-N 2 2 233.359 2.438 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(C)n1 ZINC001205076735 965494439 /nfs/dbraw/zinc/49/44/39/965494439.db2.gz VJWKNYAAYWRXQK-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc(C)n1 ZINC001205076735 965494443 /nfs/dbraw/zinc/49/44/43/965494443.db2.gz VJWKNYAAYWRXQK-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1c[nH+]cc(N[C@@H](C)C[NH+](C)C)c1C ZINC001163776733 965582110 /nfs/dbraw/zinc/58/21/10/965582110.db2.gz JCNKWCOADJJKGB-JTQLQIEISA-N 2 2 207.321 2.060 20 0 BEADLP Cc1[nH+]ccn1CCNc1c[nH+]cc(C)c1C ZINC001163924371 965637053 /nfs/dbraw/zinc/63/70/53/965637053.db2.gz VPRIJSFKKSZSAG-UHFFFAOYSA-N 2 2 230.315 2.315 20 0 BEADLP Cc1cc(N(CCC[NH3+])C(C)C)[nH+]c2cc[nH]c21 ZINC001164128953 965747970 /nfs/dbraw/zinc/74/79/70/965747970.db2.gz QMVQRXGVCVQTRA-UHFFFAOYSA-N 2 2 246.358 2.435 20 0 BEADLP CCc1ccc(N(CCC[NH3+])C(C)C)[nH+]c1 ZINC001164127428 965749868 /nfs/dbraw/zinc/74/98/68/965749868.db2.gz WDTWGFCBKVWVAJ-UHFFFAOYSA-N 2 2 221.348 2.208 20 0 BEADLP CCOc1cc[nH+]c(N2CCC[C@H]2C[NH+](C)C)c1 ZINC001165072498 965952497 /nfs/dbraw/zinc/95/24/97/965952497.db2.gz MNQXIJKEFRTZDS-LBPRGKRZSA-N 2 2 249.358 2.011 20 0 BEADLP CCOc1cc[nH+]c(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC001165072495 965953288 /nfs/dbraw/zinc/95/32/88/965953288.db2.gz MNQXIJKEFRTZDS-GFCCVEGCSA-N 2 2 249.358 2.011 20 0 BEADLP Cc1ccc(N2CCC[C@H]2C[NH+](C)C)[nH+]c1C ZINC001165073759 965953327 /nfs/dbraw/zinc/95/33/27/965953327.db2.gz VVZZRQXULUORSV-ZDUSSCGKSA-N 2 2 233.359 2.229 20 0 BEADLP C[N@@H+]1CCC[C@@H](CCNc2cccc[nH+]2)C1 ZINC001165253038 966008195 /nfs/dbraw/zinc/00/81/95/966008195.db2.gz LKCNUIIRAQDBIE-LBPRGKRZSA-N 2 2 219.332 2.225 20 0 BEADLP C[N@H+]1CCC[C@@H](CCNc2cccc[nH+]2)C1 ZINC001165253038 966008207 /nfs/dbraw/zinc/00/82/07/966008207.db2.gz LKCNUIIRAQDBIE-LBPRGKRZSA-N 2 2 219.332 2.225 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)sc1C ZINC001235990104 966211219 /nfs/dbraw/zinc/21/12/19/966211219.db2.gz LJTFIOBBFVEPRE-AAEUAGOBSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)sc1C ZINC001235990104 966211235 /nfs/dbraw/zinc/21/12/35/966211235.db2.gz LJTFIOBBFVEPRE-AAEUAGOBSA-N 2 2 236.384 2.288 20 0 BEADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236021160 966234226 /nfs/dbraw/zinc/23/42/26/966234226.db2.gz MGOKLCXPGKBCER-GJZGRUSLSA-N 2 2 230.355 2.343 20 0 BEADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236021160 966234239 /nfs/dbraw/zinc/23/42/39/966234239.db2.gz MGOKLCXPGKBCER-GJZGRUSLSA-N 2 2 230.355 2.343 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1C ZINC001236168411 966282567 /nfs/dbraw/zinc/28/25/67/966282567.db2.gz JACVQAJWWYKJQI-CYBMUJFWSA-N 2 2 248.370 2.153 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1C ZINC001236168411 966282574 /nfs/dbraw/zinc/28/25/74/966282574.db2.gz JACVQAJWWYKJQI-CYBMUJFWSA-N 2 2 248.370 2.153 20 0 BEADLP Cc1c2ccccc2[nH]c1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206717660 966395481 /nfs/dbraw/zinc/39/54/81/966395481.db2.gz CBLZNTITXAMBID-UHFFFAOYSA-N 2 2 243.354 2.257 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001206718243 966408513 /nfs/dbraw/zinc/40/85/13/966408513.db2.gz NBKFPJKCEFQFKR-UHFFFAOYSA-N 2 2 247.317 2.088 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccc3occc3c2)C1 ZINC001206718531 966420705 /nfs/dbraw/zinc/42/07/05/966420705.db2.gz UTHFQPRAPAAUJM-UHFFFAOYSA-N 2 2 230.311 2.213 20 0 BEADLP CC(C)[N@H+](Cc1cccn1C)C1CC[NH+](C)CC1 ZINC001203269979 966589220 /nfs/dbraw/zinc/58/92/20/966589220.db2.gz CKOUEBWRNILHRI-UHFFFAOYSA-N 2 2 249.402 2.330 20 0 BEADLP CC(C)[N@@H+](Cc1cccn1C)C1CC[NH+](C)CC1 ZINC001203269979 966589229 /nfs/dbraw/zinc/58/92/29/966589229.db2.gz CKOUEBWRNILHRI-UHFFFAOYSA-N 2 2 249.402 2.330 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cccc1C ZINC001236865819 966601969 /nfs/dbraw/zinc/60/19/69/966601969.db2.gz QAJGPACBYMYQCR-ZDUSSCGKSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cccc1C ZINC001236865819 966601965 /nfs/dbraw/zinc/60/19/65/966601965.db2.gz QAJGPACBYMYQCR-ZDUSSCGKSA-N 2 2 220.360 2.473 20 0 BEADLP COc1cc[nH+]c(Nc2c[nH+]c(N)c(C)c2)c1 ZINC001249781548 967061401 /nfs/dbraw/zinc/06/14/01/967061401.db2.gz HBBNDAQFIXEPKO-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP Cn1c[nH+]c2cccc(Nc3ccc[nH+]c3N)c21 ZINC001212405505 967068404 /nfs/dbraw/zinc/06/84/04/967068404.db2.gz DEGTZSUQGHDILA-UHFFFAOYSA-N 2 2 239.282 2.294 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](CCCc2ccccc2F)C1 ZINC001204763906 967153761 /nfs/dbraw/zinc/15/37/61/967153761.db2.gz RZCRUKKURVHJHX-AWEZNQCLSA-N 2 2 236.334 2.181 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](CCCc2ccccc2F)C1 ZINC001204763906 967153772 /nfs/dbraw/zinc/15/37/72/967153772.db2.gz RZCRUKKURVHJHX-AWEZNQCLSA-N 2 2 236.334 2.181 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3ncccc23)C1 ZINC001204771057 967158897 /nfs/dbraw/zinc/15/88/97/967158897.db2.gz MOOYUIZXWVGJHU-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001204771057 967158907 /nfs/dbraw/zinc/15/89/07/967158907.db2.gz MOOYUIZXWVGJHU-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204790119 967172772 /nfs/dbraw/zinc/17/27/72/967172772.db2.gz GYFCLKMQAWQCEI-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204790119 967172774 /nfs/dbraw/zinc/17/27/74/967172774.db2.gz GYFCLKMQAWQCEI-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CN(c1ccn2cc[nH+]c2c1)c1cc(N)cc[nH+]1 ZINC001204972300 967269857 /nfs/dbraw/zinc/26/98/57/967269857.db2.gz YWBACRUTPLCPSY-UHFFFAOYSA-N 2 2 239.282 2.079 20 0 BEADLP COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C ZINC001205064861 967322110 /nfs/dbraw/zinc/32/21/10/967322110.db2.gz YNEGRANNACHLFD-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1C ZINC001205064861 967322118 /nfs/dbraw/zinc/32/21/18/967322118.db2.gz YNEGRANNACHLFD-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cnccc2Cl)CC1 ZINC001205101790 967346293 /nfs/dbraw/zinc/34/62/93/967346293.db2.gz LSVIBRANUGQLTD-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cnccc2Cl)CC1 ZINC001205101790 967346303 /nfs/dbraw/zinc/34/63/03/967346303.db2.gz LSVIBRANUGQLTD-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP CCc1csc(C[N@@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205116645 967367781 /nfs/dbraw/zinc/36/77/81/967367781.db2.gz FLCHEEHDBNPZHL-JTQLQIEISA-N 2 2 239.388 2.019 20 0 BEADLP CCc1csc(C[N@H+]2CCC[C@H]([NH3+])CC2)n1 ZINC001205116645 967367793 /nfs/dbraw/zinc/36/77/93/967367793.db2.gz FLCHEEHDBNPZHL-JTQLQIEISA-N 2 2 239.388 2.019 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2ccncc21 ZINC001205182749 967409607 /nfs/dbraw/zinc/40/96/07/967409607.db2.gz JRFYYDMQSATWSN-IAQYHMDHSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2ccncc21 ZINC001205182749 967409611 /nfs/dbraw/zinc/40/96/11/967409611.db2.gz JRFYYDMQSATWSN-IAQYHMDHSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC001205838312 967848950 /nfs/dbraw/zinc/84/89/50/967848950.db2.gz CAEUYGPRMMWLHM-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC001205838312 967848954 /nfs/dbraw/zinc/84/89/54/967848954.db2.gz CAEUYGPRMMWLHM-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(C)n1 ZINC001205845370 967850856 /nfs/dbraw/zinc/85/08/56/967850856.db2.gz ZVLJZYFJCLEQSS-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc(C)n1 ZINC001205845370 967850861 /nfs/dbraw/zinc/85/08/61/967850861.db2.gz ZVLJZYFJCLEQSS-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001205930615 967890626 /nfs/dbraw/zinc/89/06/26/967890626.db2.gz BHDYENQIWUXGCG-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001205930615 967890628 /nfs/dbraw/zinc/89/06/28/967890628.db2.gz BHDYENQIWUXGCG-INIZCTEOSA-N 2 2 244.382 2.489 20 0 BEADLP Cc1c[nH+]c(Nc2cc[nH+]c(N)c2)c(C)c1 ZINC001206536195 968362851 /nfs/dbraw/zinc/36/28/51/968362851.db2.gz YNOIVJZJJRQFCT-UHFFFAOYSA-N 2 2 214.272 2.419 20 0 BEADLP Nc1cc(Nc2ccn3cc[nH+]c3c2)cc[nH+]1 ZINC001206542477 968365612 /nfs/dbraw/zinc/36/56/12/968365612.db2.gz BEMAYZMBZVMZMD-UHFFFAOYSA-N 2 2 225.255 2.055 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2coc3ccccc23)C1 ZINC001206723192 968439566 /nfs/dbraw/zinc/43/95/66/968439566.db2.gz LHQGSPPPRSBVSV-UHFFFAOYSA-N 2 2 230.311 2.213 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC3CCC(CC3)C2)n1C ZINC001206795354 968482221 /nfs/dbraw/zinc/48/22/21/968482221.db2.gz CJOQFFSLUVCTRW-UHFFFAOYSA-N 2 2 233.359 2.351 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cncc(C)c1 ZINC001207161721 968670692 /nfs/dbraw/zinc/67/06/92/968670692.db2.gz LBWNUEPSOGMMFP-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cncc(C)c1 ZINC001207161721 968670696 /nfs/dbraw/zinc/67/06/96/968670696.db2.gz LBWNUEPSOGMMFP-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](F)C1 ZINC001207283114 968718907 /nfs/dbraw/zinc/71/89/07/968718907.db2.gz RXMFUYSVDCIRFO-NSHDSACASA-N 2 2 216.344 2.008 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](F)C1 ZINC001207283114 968718914 /nfs/dbraw/zinc/71/89/14/968718914.db2.gz RXMFUYSVDCIRFO-NSHDSACASA-N 2 2 216.344 2.008 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](C)C(F)(F)F ZINC001208902382 969290956 /nfs/dbraw/zinc/29/09/56/969290956.db2.gz RIRKPGRJZSMCKC-SNVBAGLBSA-N 2 2 249.280 2.403 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC001169092826 969382653 /nfs/dbraw/zinc/38/26/53/969382653.db2.gz CSBKHTIBPBMXSY-QKDCVEJESA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC001169092826 969382658 /nfs/dbraw/zinc/38/26/58/969382658.db2.gz CSBKHTIBPBMXSY-QKDCVEJESA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC001169081541 969403257 /nfs/dbraw/zinc/40/32/57/969403257.db2.gz STGOLWCVSSSBLK-XYYAHUGASA-N 2 2 234.343 2.303 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC001169081541 969403259 /nfs/dbraw/zinc/40/32/59/969403259.db2.gz STGOLWCVSSSBLK-XYYAHUGASA-N 2 2 234.343 2.303 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090146 969409278 /nfs/dbraw/zinc/40/92/78/969409278.db2.gz HNSATVMQZKMAAE-CLLJXQQHSA-N 2 2 249.358 2.006 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090146 969409284 /nfs/dbraw/zinc/40/92/84/969409284.db2.gz HNSATVMQZKMAAE-CLLJXQQHSA-N 2 2 249.358 2.006 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3CCC1CC3)C2 ZINC001169142636 969457365 /nfs/dbraw/zinc/45/73/65/969457365.db2.gz DYSMVBOPNLXHGR-QSCRHYGLSA-N 2 2 234.387 2.486 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3CCC1CC3)C2 ZINC001169142636 969457375 /nfs/dbraw/zinc/45/73/75/969457375.db2.gz DYSMVBOPNLXHGR-QSCRHYGLSA-N 2 2 234.387 2.486 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC3CCC1CC3)C2 ZINC001169142636 969457379 /nfs/dbraw/zinc/45/73/79/969457379.db2.gz DYSMVBOPNLXHGR-QSCRHYGLSA-N 2 2 234.387 2.486 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC3CCC1CC3)C2 ZINC001169142636 969457389 /nfs/dbraw/zinc/45/73/89/969457389.db2.gz DYSMVBOPNLXHGR-QSCRHYGLSA-N 2 2 234.387 2.486 20 0 BEADLP CC(C)[NH+](Cc1c[nH+]ccc1N)C(C)C ZINC001209727728 969582250 /nfs/dbraw/zinc/58/22/50/969582250.db2.gz MFTSBAKQOVZYEV-UHFFFAOYSA-N 2 2 207.321 2.113 20 0 BEADLP C[C@H]1C[N@@H+](Cc2c[nH+]ccc2N)CCC[C@@H]1C ZINC001209730527 969585862 /nfs/dbraw/zinc/58/58/62/969585862.db2.gz WDLZXDLONDRFHI-RYUDHWBXSA-N 2 2 233.359 2.362 20 0 BEADLP C[C@H]1C[N@H+](Cc2c[nH+]ccc2N)CCC[C@@H]1C ZINC001209730527 969585870 /nfs/dbraw/zinc/58/58/70/969585870.db2.gz WDLZXDLONDRFHI-RYUDHWBXSA-N 2 2 233.359 2.362 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C2(c3ccccn3)CC2)CC1 ZINC001254505021 969674054 /nfs/dbraw/zinc/67/40/54/969674054.db2.gz XYBKQFXLOJNBSY-CYBMUJFWSA-N 2 2 245.370 2.145 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccccn3)CC2)CC1 ZINC001254505021 969674058 /nfs/dbraw/zinc/67/40/58/969674058.db2.gz XYBKQFXLOJNBSY-CYBMUJFWSA-N 2 2 245.370 2.145 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]COc2ccccc2)CC1 ZINC001254509097 969677428 /nfs/dbraw/zinc/67/74/28/969677428.db2.gz VZGFHAGOPJDLGE-CYBMUJFWSA-N 2 2 234.343 2.097 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]COc2ccccc2)CC1 ZINC001254509097 969677435 /nfs/dbraw/zinc/67/74/35/969677435.db2.gz VZGFHAGOPJDLGE-CYBMUJFWSA-N 2 2 234.343 2.097 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254829306 969792814 /nfs/dbraw/zinc/79/28/14/969792814.db2.gz CGYIAFYMFYRXLX-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254830834 969794094 /nfs/dbraw/zinc/79/40/94/969794094.db2.gz IBLRHGUOTZANJL-DGCLKSJQSA-N 2 2 210.365 2.105 20 0 BEADLP FC1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254832550 969796724 /nfs/dbraw/zinc/79/67/24/969796724.db2.gz HCJXMHHBCRNPJA-JXQTWKCFSA-N 2 2 240.366 2.341 20 0 BEADLP C1[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C12CCC2 ZINC001254848382 969802844 /nfs/dbraw/zinc/80/28/44/969802844.db2.gz OLKRCOYYTFSBME-CHWSQXEVSA-N 2 2 220.360 2.003 20 0 BEADLP C1=C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254848450 969804377 /nfs/dbraw/zinc/80/43/77/969804377.db2.gz QNVFXGOQVHMPEB-UONOGXRCSA-N 2 2 220.360 2.169 20 0 BEADLP C1=C[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254848449 969804462 /nfs/dbraw/zinc/80/44/62/969804462.db2.gz QNVFXGOQVHMPEB-KGLIPLIRSA-N 2 2 220.360 2.169 20 0 BEADLP Cc1cc(-n2ccc(C[NH3+])c2)ccc1[NH+](C)C ZINC001169726123 969820686 /nfs/dbraw/zinc/82/06/86/969820686.db2.gz SHLCYXJIQRCAGC-UHFFFAOYSA-N 2 2 229.327 2.310 20 0 BEADLP c1cn([C@H]2CCSC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001255290937 970053008 /nfs/dbraw/zinc/05/30/08/970053008.db2.gz NVTWPQYSZIKFMG-MNOVXSKESA-N 2 2 237.372 2.028 20 0 BEADLP CC(C)Oc1cc(N(C)C(C)(C)C[NH3+])cc[nH+]1 ZINC001170058914 970108169 /nfs/dbraw/zinc/10/81/69/970108169.db2.gz HTNDSZVIIHHDGC-UHFFFAOYSA-N 2 2 237.347 2.042 20 0 BEADLP Cc1[nH]c2ccc(Nc3c[nH+]cn3C)cc2[nH+]1 ZINC001213071128 970273184 /nfs/dbraw/zinc/27/31/84/970273184.db2.gz AQOFQXOWVLCWIX-UHFFFAOYSA-N 2 2 227.271 2.348 20 0 BEADLP Cn1c[nH+]cc1-c1ccc2c(c1)CC[N@@H+](C)C2 ZINC001243071625 970282708 /nfs/dbraw/zinc/28/27/08/970282708.db2.gz WVJIKJLNUBTOFU-UHFFFAOYSA-N 2 2 227.311 2.075 20 0 BEADLP Cn1c[nH+]cc1-c1ccc2c(c1)CC[N@H+](C)C2 ZINC001243071625 970282719 /nfs/dbraw/zinc/28/27/19/970282719.db2.gz WVJIKJLNUBTOFU-UHFFFAOYSA-N 2 2 227.311 2.075 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001170118692 970342188 /nfs/dbraw/zinc/34/21/88/970342188.db2.gz UIBNJFRMXCTKKR-AVGNSLFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001170118692 970342203 /nfs/dbraw/zinc/34/22/03/970342203.db2.gz UIBNJFRMXCTKKR-AVGNSLFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001170126331 970379640 /nfs/dbraw/zinc/37/96/40/970379640.db2.gz VZAJFQRBHVDIKT-NWDGAFQWSA-N 2 2 220.316 2.239 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001170156327 970480783 /nfs/dbraw/zinc/48/07/83/970480783.db2.gz DARUGFXNDLKZPC-MQYQWHSLSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001170156327 970480790 /nfs/dbraw/zinc/48/07/90/970480790.db2.gz DARUGFXNDLKZPC-MQYQWHSLSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1 ZINC001170156327 970480794 /nfs/dbraw/zinc/48/07/94/970480794.db2.gz DARUGFXNDLKZPC-MQYQWHSLSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1 ZINC001170156327 970480802 /nfs/dbraw/zinc/48/08/02/970480802.db2.gz DARUGFXNDLKZPC-MQYQWHSLSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1conc1C ZINC001255941566 970569869 /nfs/dbraw/zinc/56/98/69/970569869.db2.gz UFRDRKZXAXQDGR-LLVKDONJSA-N 2 2 239.363 2.193 20 0 BEADLP CCC[N@H+](CCC[NH3+])[C@@H](C)CC[NH+](CC)CC ZINC001255942431 970575283 /nfs/dbraw/zinc/57/52/83/970575283.db2.gz GJXUMZMFYZYBPM-AWEZNQCLSA-N 3 2 243.439 2.168 20 0 BEADLP CCC[N@@H+](CCC[NH3+])[C@@H](C)CC[NH+](CC)CC ZINC001255942431 970575297 /nfs/dbraw/zinc/57/52/97/970575297.db2.gz GJXUMZMFYZYBPM-AWEZNQCLSA-N 3 2 243.439 2.168 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CC2(CSC2)C1 ZINC001255971712 970606268 /nfs/dbraw/zinc/60/62/68/970606268.db2.gz KIGJVLTXXWPUFZ-GFCCVEGCSA-N 2 2 242.432 2.156 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)CCF ZINC001255969250 970607003 /nfs/dbraw/zinc/60/70/03/970607003.db2.gz XHOPIWQYVAUGNZ-NSHDSACASA-N 2 2 204.333 2.008 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)CCF ZINC001255969250 970607009 /nfs/dbraw/zinc/60/70/09/970607009.db2.gz XHOPIWQYVAUGNZ-NSHDSACASA-N 2 2 204.333 2.008 20 0 BEADLP FC[C@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256083900 970655325 /nfs/dbraw/zinc/65/53/25/970655325.db2.gz XVHWIHSZKFUQBY-CYBMUJFWSA-N 2 2 226.339 2.047 20 0 BEADLP FC[C@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256083900 970655333 /nfs/dbraw/zinc/65/53/33/970655333.db2.gz XVHWIHSZKFUQBY-CYBMUJFWSA-N 2 2 226.339 2.047 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccccc2)C1 ZINC000401218851 970670781 /nfs/dbraw/zinc/67/07/81/970670781.db2.gz XGEDOOLPAFSSCL-KGLIPLIRSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccccc2)C1 ZINC000401218851 970670784 /nfs/dbraw/zinc/67/07/84/970670784.db2.gz XGEDOOLPAFSSCL-KGLIPLIRSA-N 2 2 248.370 2.125 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)n1 ZINC001256196839 970688944 /nfs/dbraw/zinc/68/89/44/970688944.db2.gz YXWHTRMPVFXHQK-GFCCVEGCSA-N 2 2 233.359 2.135 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001256202322 970701951 /nfs/dbraw/zinc/70/19/51/970701951.db2.gz DGDBKVWGFMQDDX-CYBMUJFWSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001256202322 970701956 /nfs/dbraw/zinc/70/19/56/970701956.db2.gz DGDBKVWGFMQDDX-CYBMUJFWSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001327838972 972754340 /nfs/dbraw/zinc/75/43/40/972754340.db2.gz KLHTYYKELJBVBZ-BLLLJJGKSA-N 2 2 244.382 2.263 20 0 BEADLP Cn1c[nH+]c2ccc(NC[C@@H]3CCCC[NH2+]3)cc21 ZINC001171332954 973861003 /nfs/dbraw/zinc/86/10/03/973861003.db2.gz AZRHXJGHDYQMRY-LBPRGKRZSA-N 2 2 244.342 2.127 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CC(C(F)F)C1 ZINC000390764845 973917360 /nfs/dbraw/zinc/91/73/60/973917360.db2.gz PQNALUGKYUSHRC-UHFFFAOYSA-N 2 2 234.334 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CC(C(F)F)C1 ZINC000390764845 973917388 /nfs/dbraw/zinc/91/73/88/973917388.db2.gz PQNALUGKYUSHRC-UHFFFAOYSA-N 2 2 234.334 2.352 20 0 BEADLP Cc1cccc2c1CC[C@@H]([NH2+]CC1C[NH+](C)C1)C2 ZINC001171556607 974097092 /nfs/dbraw/zinc/09/70/92/974097092.db2.gz LCXAQECKOLBDKA-OAHLLOKOSA-N 2 2 244.382 2.004 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C)n1 ZINC001204071025 974124502 /nfs/dbraw/zinc/12/45/02/974124502.db2.gz QEYUPYJFDDOIHF-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)n1 ZINC001204071025 974124512 /nfs/dbraw/zinc/12/45/12/974124512.db2.gz QEYUPYJFDDOIHF-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172182974 974394142 /nfs/dbraw/zinc/39/41/42/974394142.db2.gz APNFWYGJFICGQB-STQMWFEESA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172182974 974394149 /nfs/dbraw/zinc/39/41/49/974394149.db2.gz APNFWYGJFICGQB-STQMWFEESA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001172188441 974395190 /nfs/dbraw/zinc/39/51/90/974395190.db2.gz SLWBUNUJRMGGJC-QWHCGFSZSA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001172188441 974395195 /nfs/dbraw/zinc/39/51/95/974395195.db2.gz SLWBUNUJRMGGJC-QWHCGFSZSA-N 2 2 248.395 2.127 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001172315869 974521121 /nfs/dbraw/zinc/52/11/21/974521121.db2.gz LQDOSHUHNVIUGQ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC1(C)C[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CO1 ZINC001172288969 974554898 /nfs/dbraw/zinc/55/48/98/974554898.db2.gz PFDVEQDUBSWYGK-VXGBXAGGSA-N 2 2 249.358 2.090 20 0 BEADLP CCOCC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172409196 974671572 /nfs/dbraw/zinc/67/15/72/974671572.db2.gz RSJXAAQGXZUXKY-AWEZNQCLSA-N 2 2 242.407 2.267 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CCOC(C)C ZINC001172431432 974714250 /nfs/dbraw/zinc/71/42/50/974714250.db2.gz NXXIYUMZCYLRDI-CYBMUJFWSA-N 2 2 230.396 2.121 20 0 BEADLP COC1(C[NH2+][C@H](C)C[NH+]2CCCCC2)CCC1 ZINC001331705234 974796827 /nfs/dbraw/zinc/79/68/27/974796827.db2.gz BBQDWHDAWFGRNP-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+][C@@H](C)C[NH+]2CCCCC2)CCC1 ZINC001331705237 974797268 /nfs/dbraw/zinc/79/72/68/974797268.db2.gz BBQDWHDAWFGRNP-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP C[NH+]1CC(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172553819 974867859 /nfs/dbraw/zinc/86/78/59/974867859.db2.gz PCFPMLCZNYVSQC-CVEARBPZSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H]1C[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CCO1 ZINC001173173275 975055059 /nfs/dbraw/zinc/05/50/59/975055059.db2.gz FGAIMTMPGVTPBC-AVGNSLFASA-N 2 2 249.358 2.090 20 0 BEADLP c1cn(-c2ccc(Nc3cc[nH+]cc3)cc2)c[nH+]1 ZINC001173882379 975930794 /nfs/dbraw/zinc/93/07/94/975930794.db2.gz GVJKSLCSRAKCIR-UHFFFAOYSA-N 2 2 236.278 2.433 20 0 BEADLP COc1cc[nH+]cc1Nc1ccc2[nH+]ccn2c1 ZINC001174277445 976509276 /nfs/dbraw/zinc/50/92/76/976509276.db2.gz VDGYEXOWCSQULB-UHFFFAOYSA-N 2 2 240.266 2.482 20 0 BEADLP Cc1cc(Nc2ccc3c(c2)[nH+]cn3C)cc[nH+]1 ZINC001174656560 976947364 /nfs/dbraw/zinc/94/73/64/976947364.db2.gz FOHIGEQNKOOJBY-UHFFFAOYSA-N 2 2 238.294 2.442 20 0 BEADLP Cc1cc(F)cc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC001336459397 977697075 /nfs/dbraw/zinc/69/70/75/977697075.db2.gz ZWZASGVWIZDICW-UHFFFAOYSA-N 2 2 237.322 2.060 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H](C)O1 ZINC001232012264 977839468 /nfs/dbraw/zinc/83/94/68/977839468.db2.gz XQMRITUTYANJAR-PHIMTYICSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H](C)O1 ZINC001232012264 977839473 /nfs/dbraw/zinc/83/94/73/977839473.db2.gz XQMRITUTYANJAR-PHIMTYICSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@H]1C[NH+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H](C)O1 ZINC001232012265 977841476 /nfs/dbraw/zinc/84/14/76/977841476.db2.gz XQMRITUTYANJAR-QWRGUYRKSA-N 2 2 245.326 2.172 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC001232082057 977885969 /nfs/dbraw/zinc/88/59/69/977885969.db2.gz OYQQBKDZXIYYSY-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC001232082057 977885973 /nfs/dbraw/zinc/88/59/73/977885973.db2.gz OYQQBKDZXIYYSY-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CCCOC3)CC2)c[nH+]1 ZINC001232465743 978110850 /nfs/dbraw/zinc/11/08/50/978110850.db2.gz OPPOJHKTHGMMGE-UHFFFAOYSA-N 2 2 249.358 2.111 20 0 BEADLP Cc1ccc[nH+]c1N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277708328 978261067 /nfs/dbraw/zinc/26/10/67/978261067.db2.gz SOBZVVDMCIRUJF-OAHLLOKOSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1ccc[nH+]c1N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277708328 978261076 /nfs/dbraw/zinc/26/10/76/978261076.db2.gz SOBZVVDMCIRUJF-OAHLLOKOSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001337823803 978515526 /nfs/dbraw/zinc/51/55/26/978515526.db2.gz FACMEBQONVMZJI-DZGCQCFKSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001337823803 978515536 /nfs/dbraw/zinc/51/55/36/978515536.db2.gz FACMEBQONVMZJI-DZGCQCFKSA-N 2 2 245.370 2.093 20 0 BEADLP CCc1ccc(N2CC[C@H](C[NH+](C)C)C2)[nH+]c1 ZINC001337914725 978562319 /nfs/dbraw/zinc/56/23/19/978562319.db2.gz NBUMEOSEYJVSEB-CYBMUJFWSA-N 2 2 233.359 2.032 20 0 BEADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccoc3)C[C@H]2C1 ZINC001204244199 978700332 /nfs/dbraw/zinc/70/03/32/978700332.db2.gz AYZRWCSMTWQTHP-ZIAGYGMSSA-N 2 2 234.343 2.053 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000070344965 978831646 /nfs/dbraw/zinc/83/16/46/978831646.db2.gz WNOWVPDFPWMYCU-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000070344965 978831651 /nfs/dbraw/zinc/83/16/51/978831651.db2.gz WNOWVPDFPWMYCU-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(OCC[NH+]2CCCCC2)cc[nH+]1 ZINC001339793103 978915438 /nfs/dbraw/zinc/91/54/38/978915438.db2.gz HRUMSLZGTZRTTI-UHFFFAOYSA-N 2 2 220.316 2.255 20 0 BEADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CC2(C1)CCCC2 ZINC001235026119 978955327 /nfs/dbraw/zinc/95/53/27/978955327.db2.gz KHQCPDOGLHFXQO-OAHLLOKOSA-N 2 2 244.382 2.432 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235065100 978967120 /nfs/dbraw/zinc/96/71/20/978967120.db2.gz JWTNVMVDQAMTON-MRXNPFEDSA-N 2 2 244.382 2.495 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235065100 978967124 /nfs/dbraw/zinc/96/71/24/978967124.db2.gz JWTNVMVDQAMTON-MRXNPFEDSA-N 2 2 244.382 2.495 20 0 BEADLP CC(C)c1ccc(CC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235145583 978980927 /nfs/dbraw/zinc/98/09/27/978980927.db2.gz DIRSZZPFTXSCSW-HOTGVXAUSA-N 2 2 244.382 2.386 20 0 BEADLP CC(C)c1ccc(CC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235145583 978980930 /nfs/dbraw/zinc/98/09/30/978980930.db2.gz DIRSZZPFTXSCSW-HOTGVXAUSA-N 2 2 244.382 2.386 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235155212 978983519 /nfs/dbraw/zinc/98/35/19/978983519.db2.gz HKCRZIDVOWXIRX-GOEBONIOSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235155212 978983525 /nfs/dbraw/zinc/98/35/25/978983525.db2.gz HKCRZIDVOWXIRX-GOEBONIOSA-N 2 2 242.366 2.487 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235158287 978983586 /nfs/dbraw/zinc/98/35/86/978983586.db2.gz OZMCFRQXXCISQN-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235158287 978983590 /nfs/dbraw/zinc/98/35/90/978983590.db2.gz OZMCFRQXXCISQN-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP [NH3+]CC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187190 978992667 /nfs/dbraw/zinc/99/26/67/978992667.db2.gz STNLLEIENFPBCK-UHFFFAOYSA-N 2 2 228.339 2.006 20 0 BEADLP Cc1cc(F)cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244776 979004229 /nfs/dbraw/zinc/00/42/29/979004229.db2.gz KBEUOUGQFPVTNS-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC001235244776 979004235 /nfs/dbraw/zinc/00/42/35/979004235.db2.gz KBEUOUGQFPVTNS-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP C[N@H+](Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC001235350942 979031053 /nfs/dbraw/zinc/03/10/53/979031053.db2.gz WLCBGPGZVCMQPI-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@@H+](Cc1cccc2c1CCC2)[C@@H]1CCC[NH2+]C1 ZINC001235350942 979031061 /nfs/dbraw/zinc/03/10/61/979031061.db2.gz WLCBGPGZVCMQPI-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP CCCCC1CC[NH+](CC[NH2+]CC)CC1 ZINC001235432640 979044207 /nfs/dbraw/zinc/04/42/07/979044207.db2.gz OXZGDFYKYDRZDM-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235959041 979224844 /nfs/dbraw/zinc/22/48/44/979224844.db2.gz QFKNJCPMWAMBEA-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235959041 979224852 /nfs/dbraw/zinc/22/48/52/979224852.db2.gz QFKNJCPMWAMBEA-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@H]([NH3+])CC)cc1 ZINC001235959927 979228561 /nfs/dbraw/zinc/22/85/61/979228561.db2.gz NVFVZAILGDGVLX-CQSZACIVSA-N 2 2 220.360 2.418 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@H]([NH3+])CC)cc1 ZINC001235959927 979228573 /nfs/dbraw/zinc/22/85/73/979228573.db2.gz NVFVZAILGDGVLX-CQSZACIVSA-N 2 2 220.360 2.418 20 0 BEADLP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981671 979262542 /nfs/dbraw/zinc/26/25/42/979262542.db2.gz RSRKBSIEJLVDQQ-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981671 979262551 /nfs/dbraw/zinc/26/25/51/979262551.db2.gz RSRKBSIEJLVDQQ-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)o1 ZINC001236013395 979300293 /nfs/dbraw/zinc/30/02/93/979300293.db2.gz ACWNBSYILNADEP-OSMZGAPFSA-N 2 2 234.343 2.115 20 0 BEADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)o1 ZINC001236013395 979300303 /nfs/dbraw/zinc/30/03/03/979300303.db2.gz ACWNBSYILNADEP-OSMZGAPFSA-N 2 2 234.343 2.115 20 0 BEADLP Cc1ccc2c(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001236018336 979305515 /nfs/dbraw/zinc/30/55/15/979305515.db2.gz GGAURRZZAKZSFI-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1ccc2c(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)c[nH]c2c1 ZINC001236018336 979305528 /nfs/dbraw/zinc/30/55/28/979305528.db2.gz GGAURRZZAKZSFI-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1ccc2c(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)c[nH]c2c1 ZINC001236018340 979308687 /nfs/dbraw/zinc/30/86/87/979308687.db2.gz GGAURRZZAKZSFI-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1ccc2c(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)c[nH]c2c1 ZINC001236018340 979308698 /nfs/dbraw/zinc/30/86/98/979308698.db2.gz GGAURRZZAKZSFI-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc2c(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)c[nH]c21 ZINC001236024373 979318246 /nfs/dbraw/zinc/31/82/46/979318246.db2.gz SZHXWEUWLKTTIX-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc2c(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)c[nH]c21 ZINC001236024373 979318258 /nfs/dbraw/zinc/31/82/58/979318258.db2.gz SZHXWEUWLKTTIX-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059533 979349613 /nfs/dbraw/zinc/34/96/13/979349613.db2.gz JHSUPXUZEZECBW-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059533 979349626 /nfs/dbraw/zinc/34/96/26/979349626.db2.gz JHSUPXUZEZECBW-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236060453 979351426 /nfs/dbraw/zinc/35/14/26/979351426.db2.gz RIEPGCVYTFQVIX-HOTGVXAUSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1cccc(CC[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236060453 979351440 /nfs/dbraw/zinc/35/14/40/979351440.db2.gz RIEPGCVYTFQVIX-HOTGVXAUSA-N 2 2 244.382 2.221 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccccc1-n1cccc1 ZINC001236144105 979410640 /nfs/dbraw/zinc/41/06/40/979410640.db2.gz POKXUFSQPKBOBH-UHFFFAOYSA-N 2 2 243.354 2.258 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccccc1-n1cccc1 ZINC001236144105 979410646 /nfs/dbraw/zinc/41/06/46/979410646.db2.gz POKXUFSQPKBOBH-UHFFFAOYSA-N 2 2 243.354 2.258 20 0 BEADLP C[C@H]([NH3+])c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236313565 979520605 /nfs/dbraw/zinc/52/06/05/979520605.db2.gz QFVNLPGPCOUIKD-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP Nc1ccc(-c2ccc([C@@H]3CC[NH2+]C3)cc2)c[nH+]1 ZINC001236318147 979532215 /nfs/dbraw/zinc/53/22/15/979532215.db2.gz YMSWALUNRJCRAE-CQSZACIVSA-N 2 2 239.322 2.408 20 0 BEADLP COCC[N@H+](CCCC(C)C)[C@H]1CCC[NH2+]C1 ZINC001236325913 979538174 /nfs/dbraw/zinc/53/81/74/979538174.db2.gz FGGFMEKYCWCHEI-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](CCCC(C)C)[C@H]1CCC[NH2+]C1 ZINC001236325913 979538183 /nfs/dbraw/zinc/53/81/83/979538183.db2.gz FGGFMEKYCWCHEI-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cn2cccc(Nc3cc[nH+]c(N)c3)c2[nH+]1 ZINC001206527803 979561246 /nfs/dbraw/zinc/56/12/46/979561246.db2.gz FFYGZSZRKNRBFE-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001236865860 979772355 /nfs/dbraw/zinc/77/23/55/979772355.db2.gz RFNHSEUVWCVJIY-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001236865860 979772367 /nfs/dbraw/zinc/77/23/67/979772367.db2.gz RFNHSEUVWCVJIY-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cn(C)c2ccccc12 ZINC001236865369 979773502 /nfs/dbraw/zinc/77/35/02/979773502.db2.gz JZTPUQKUVQIKPO-ZDUSSCGKSA-N 2 2 245.370 2.347 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cn(C)c2ccccc12 ZINC001236865369 979773508 /nfs/dbraw/zinc/77/35/08/979773508.db2.gz JZTPUQKUVQIKPO-ZDUSSCGKSA-N 2 2 245.370 2.347 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cccc(F)c12 ZINC001236885772 979782124 /nfs/dbraw/zinc/78/21/24/979782124.db2.gz RGBBLYJVOIEYOY-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cccc(F)c12 ZINC001236885772 979782132 /nfs/dbraw/zinc/78/21/32/979782132.db2.gz RGBBLYJVOIEYOY-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP Cc1cccc2c(C[N@@H+](C)C[C@H](C)[NH3+])c[nH]c21 ZINC001236886020 979783416 /nfs/dbraw/zinc/78/34/16/979783416.db2.gz ZDIRCNYIBLSNFA-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP Cc1cccc2c(C[N@H+](C)C[C@H](C)[NH3+])c[nH]c21 ZINC001236886020 979783423 /nfs/dbraw/zinc/78/34/23/979783423.db2.gz ZDIRCNYIBLSNFA-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP FC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238103636 980152916 /nfs/dbraw/zinc/15/29/16/980152916.db2.gz NURPPTWMIVMDOC-UHFFFAOYSA-N 2 2 233.290 2.268 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cncc(C2CC2)c1 ZINC001238185247 980212512 /nfs/dbraw/zinc/21/25/12/980212512.db2.gz CEXHWYPRSKPLAD-UHFFFAOYSA-N 2 2 247.386 2.343 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cncc(C2CC2)c1 ZINC001238185247 980212519 /nfs/dbraw/zinc/21/25/19/980212519.db2.gz CEXHWYPRSKPLAD-UHFFFAOYSA-N 2 2 247.386 2.343 20 0 BEADLP c1cn2cccc(C3=CCC[NH2+]CC3)c2[nH+]1 ZINC001238939468 980376304 /nfs/dbraw/zinc/37/63/04/980376304.db2.gz FNRPKUKUUQCUIS-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP c1cn(-c2ccnc(C3=CCC[NH2+]CC3)c2)c[nH+]1 ZINC001238940091 980380084 /nfs/dbraw/zinc/38/00/84/980380084.db2.gz JLTOSASFUKWLHR-UHFFFAOYSA-N 2 2 240.310 2.034 20 0 BEADLP COc1cc2[nH+]c[nH]c2cc1C1=CCC[NH2+]CC1 ZINC001238945542 980384839 /nfs/dbraw/zinc/38/48/39/980384839.db2.gz RSNNMYMYIUYYII-UHFFFAOYSA-N 2 2 243.310 2.338 20 0 BEADLP Cc1c[nH+]c(C)c(N(C)c2cc(N)cc[nH+]2)c1 ZINC001203660131 980515465 /nfs/dbraw/zinc/51/54/65/980515465.db2.gz DQWQPIZOXSTULI-UHFFFAOYSA-N 2 2 228.299 2.444 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccoc3)cc2)C1 ZINC001239690583 980848604 /nfs/dbraw/zinc/84/86/04/980848604.db2.gz KMFGFSLIZHNVJO-HNNXBMFYSA-N 2 2 242.322 2.480 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccoc3)cc2)C1 ZINC001239690583 980848606 /nfs/dbraw/zinc/84/86/06/980848606.db2.gz KMFGFSLIZHNVJO-HNNXBMFYSA-N 2 2 242.322 2.480 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC001348515740 981380515 /nfs/dbraw/zinc/38/05/15/981380515.db2.gz OTWFGNJNJYXIEU-JTQLQIEISA-N 2 2 241.404 2.354 20 0 BEADLP Fc1ccc(C2=CC[NH2+]CC2)cc1-n1cc[nH+]c1 ZINC001240470839 981407267 /nfs/dbraw/zinc/40/72/67/981407267.db2.gz QZWBPJXHDCCTJO-UHFFFAOYSA-N 2 2 243.285 2.388 20 0 BEADLP Cc1cn2c(cccc2C2=CCC[NH2+]C2)[nH+]1 ZINC001240659874 981569169 /nfs/dbraw/zinc/56/91/69/981569169.db2.gz ZRPXFNFGEBFVCA-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP CC1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001350959458 982130478 /nfs/dbraw/zinc/13/04/78/982130478.db2.gz ZGJGMFGWUCYMHZ-VXGBXAGGSA-N 2 2 208.349 2.145 20 0 BEADLP CC1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001350959458 982130482 /nfs/dbraw/zinc/13/04/82/982130482.db2.gz ZGJGMFGWUCYMHZ-VXGBXAGGSA-N 2 2 208.349 2.145 20 0 BEADLP Nc1cc(-c2ccc(C3([NH3+])CC3)cc2)cc[nH+]1 ZINC001241170563 982317899 /nfs/dbraw/zinc/31/78/99/982317899.db2.gz OCXPEKYCDSQFPL-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP C[NH2+]Cc1ccccc1-c1cc[nH+]c(N)c1 ZINC001241175625 982323154 /nfs/dbraw/zinc/32/31/54/982323154.db2.gz HFINSPZZSCTFIX-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP C[N@H+]1CC=C(c2cccc3[nH+]ccn32)CC1 ZINC001241319489 982479300 /nfs/dbraw/zinc/47/93/00/982479300.db2.gz LDDNTPMWPQRTFU-UHFFFAOYSA-N 2 2 213.284 2.053 20 0 BEADLP C[N@@H+]1CC=C(c2cccc3[nH+]ccn32)CC1 ZINC001241319489 982479305 /nfs/dbraw/zinc/47/93/05/982479305.db2.gz LDDNTPMWPQRTFU-UHFFFAOYSA-N 2 2 213.284 2.053 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805809 982572740 /nfs/dbraw/zinc/57/27/40/982572740.db2.gz RXWAIZKLCMCUQF-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205805809 982572748 /nfs/dbraw/zinc/57/27/48/982572748.db2.gz RXWAIZKLCMCUQF-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1O ZINC001205844823 982782178 /nfs/dbraw/zinc/78/21/78/982782178.db2.gz YMMVLFHWLWKLFK-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1O ZINC001205844823 982782187 /nfs/dbraw/zinc/78/21/87/982782187.db2.gz YMMVLFHWLWKLFK-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001205863257 982917262 /nfs/dbraw/zinc/91/72/62/982917262.db2.gz NHYCSCWEOSDIST-RISCZKNCSA-N 2 2 236.334 2.037 20 0 BEADLP C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC001205863257 982917273 /nfs/dbraw/zinc/91/72/73/982917273.db2.gz NHYCSCWEOSDIST-RISCZKNCSA-N 2 2 236.334 2.037 20 0 BEADLP CCc1[nH]c(C[NH+]2CCC3(CCO3)CC2)c(C)[nH+]1 ZINC001203246159 983016024 /nfs/dbraw/zinc/01/60/24/983016024.db2.gz DICVZKVPHSFQTG-UHFFFAOYSA-N 2 2 249.358 2.035 20 0 BEADLP CCC(CC)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201535148 983291051 /nfs/dbraw/zinc/29/10/51/983291051.db2.gz YPYRJDKJFKRBDA-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201535148 983291058 /nfs/dbraw/zinc/29/10/58/983291058.db2.gz YPYRJDKJFKRBDA-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201535148 983291066 /nfs/dbraw/zinc/29/10/66/983291066.db2.gz YPYRJDKJFKRBDA-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201535148 983291075 /nfs/dbraw/zinc/29/10/75/983291075.db2.gz YPYRJDKJFKRBDA-KBPBESRZSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201553548 983309078 /nfs/dbraw/zinc/30/90/78/983309078.db2.gz OHJIIBVPCNYTDZ-BFHYXJOUSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201553548 983309082 /nfs/dbraw/zinc/30/90/82/983309082.db2.gz OHJIIBVPCNYTDZ-BFHYXJOUSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201553548 983309086 /nfs/dbraw/zinc/30/90/86/983309086.db2.gz OHJIIBVPCNYTDZ-BFHYXJOUSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201553548 983309090 /nfs/dbraw/zinc/30/90/90/983309090.db2.gz OHJIIBVPCNYTDZ-BFHYXJOUSA-N 2 2 224.392 2.449 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1cccc2c[nH+]cn21 ZINC001242090721 983338897 /nfs/dbraw/zinc/33/88/97/983338897.db2.gz RSSXYUUAUIMVMP-UHFFFAOYSA-N 2 2 224.267 2.287 20 0 BEADLP CC[N@H+](CCC(C)C)C1CC[NH+](C)CC1 ZINC001201623770 983377590 /nfs/dbraw/zinc/37/75/90/983377590.db2.gz KMGXQTJGSXMOLN-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP CC[N@@H+](CCC(C)C)C1CC[NH+](C)CC1 ZINC001201623770 983377602 /nfs/dbraw/zinc/37/76/02/983377602.db2.gz KMGXQTJGSXMOLN-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242148779 983382083 /nfs/dbraw/zinc/38/20/83/983382083.db2.gz AGUZMPXBVALBSD-UHFFFAOYSA-N 2 2 245.326 2.028 20 0 BEADLP CCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201737331 983444511 /nfs/dbraw/zinc/44/45/11/983444511.db2.gz IQEHDCHAHXTDRX-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201737331 983444520 /nfs/dbraw/zinc/44/45/20/983444520.db2.gz IQEHDCHAHXTDRX-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201737331 983444528 /nfs/dbraw/zinc/44/45/28/983444528.db2.gz IQEHDCHAHXTDRX-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201737331 983444530 /nfs/dbraw/zinc/44/45/30/983444530.db2.gz IQEHDCHAHXTDRX-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)[nH+]c1N ZINC001242673844 984041266 /nfs/dbraw/zinc/04/12/66/984041266.db2.gz JYMLJVAMHYJNCC-UHFFFAOYSA-N 2 2 225.295 2.242 20 0 BEADLP CNc1cc(-c2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC001242675017 984042669 /nfs/dbraw/zinc/04/26/69/984042669.db2.gz BSSXZIPECLWHGU-UHFFFAOYSA-N 2 2 225.295 2.394 20 0 BEADLP C[NH2+]Cc1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001242992653 984355800 /nfs/dbraw/zinc/35/58/00/984355800.db2.gz SUUNOQIZDIJJFU-UHFFFAOYSA-N 2 2 227.311 2.359 20 0 BEADLP CCOc1ccc(C[NH2+]C(CC)(CC)C[NH3+])o1 ZINC001578179730 984868270 /nfs/dbraw/zinc/86/82/70/984868270.db2.gz ZXJZTJNQQBSNFQ-UHFFFAOYSA-N 2 2 240.347 2.285 20 0 BEADLP CCC[C@@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257317676 984892291 /nfs/dbraw/zinc/89/22/91/984892291.db2.gz SKCMFJRFWKRDOY-SNVBAGLBSA-N 2 2 221.348 2.241 20 0 BEADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2[nH]1 ZINC001578242062 984894868 /nfs/dbraw/zinc/89/48/68/984894868.db2.gz ZMAKZMVNPUXKTO-HIFRSBDPSA-N 2 2 243.354 2.398 20 0 BEADLP CCc1ccc(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001578257865 984907407 /nfs/dbraw/zinc/90/74/07/984907407.db2.gz UPGVSMYZCSOHLR-JKSUJKDBSA-N 2 2 244.382 2.085 20 0 BEADLP CCc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001578257865 984907431 /nfs/dbraw/zinc/90/74/31/984907431.db2.gz UPGVSMYZCSOHLR-JKSUJKDBSA-N 2 2 244.382 2.085 20 0 BEADLP Nc1[nH+]cccc1-c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001243477450 985040428 /nfs/dbraw/zinc/04/04/28/985040428.db2.gz PCMWWGPHQXSGBX-CYBMUJFWSA-N 2 2 239.322 2.408 20 0 BEADLP Cc1cc2c[nH+]c(C=CC3CC[NH2+]CC3)nc2[nH]1 ZINC001243893632 985571583 /nfs/dbraw/zinc/57/15/83/985571583.db2.gz QZBLPSVFONLVOI-NSCUHMNNSA-N 2 2 242.326 2.231 20 0 BEADLP C(=C/C1CC[NH2+]CC1)\c1ccn2cc[nH+]c2c1 ZINC001243894519 985571884 /nfs/dbraw/zinc/57/18/84/985571884.db2.gz YVRCJCDRXNJTMZ-OWOJBTEDSA-N 2 2 227.311 2.347 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000688148511 985572752 /nfs/dbraw/zinc/57/27/52/985572752.db2.gz OIWDRUFSCDRHFD-OLZOCXBDSA-N 2 2 208.349 2.003 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000688148511 985572762 /nfs/dbraw/zinc/57/27/62/985572762.db2.gz OIWDRUFSCDRHFD-OLZOCXBDSA-N 2 2 208.349 2.003 20 0 BEADLP CNc1ccc(/C=C/C2CC[NH2+]CC2)c[nH+]1 ZINC001243897461 985586154 /nfs/dbraw/zinc/58/61/54/985586154.db2.gz ZCNMFKQQZBKQOO-NSCUHMNNSA-N 2 2 217.316 2.136 20 0 BEADLP Cc1ccc(F)c(C[N@@H+](C)C[C@]23C[C@H]2C[NH2+]C3)c1 ZINC001579705978 986194198 /nfs/dbraw/zinc/19/41/98/986194198.db2.gz JOYIPPRTWMDAIZ-DZGCQCFKSA-N 2 2 248.345 2.175 20 0 BEADLP Cc1ccc(F)c(C[N@H+](C)C[C@]23C[C@H]2C[NH2+]C3)c1 ZINC001579705978 986194211 /nfs/dbraw/zinc/19/42/11/986194211.db2.gz JOYIPPRTWMDAIZ-DZGCQCFKSA-N 2 2 248.345 2.175 20 0 BEADLP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])c(Cl)c1 ZINC001579697130 986194566 /nfs/dbraw/zinc/19/45/66/986194566.db2.gz YDJDGYWBOCLBIJ-UHFFFAOYSA-N 2 2 226.751 2.475 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC001462248271 986311132 /nfs/dbraw/zinc/31/11/32/986311132.db2.gz OGRPANFRAFQZRX-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC001462248271 986311141 /nfs/dbraw/zinc/31/11/41/986311141.db2.gz OGRPANFRAFQZRX-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC2(OC)CCC2)C1 ZINC001462280666 986334836 /nfs/dbraw/zinc/33/48/36/986334836.db2.gz CYZQVSKXSFBMSY-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC2(OC)CCC2)C1 ZINC001462280666 986334847 /nfs/dbraw/zinc/33/48/47/986334847.db2.gz CYZQVSKXSFBMSY-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cnccc2C)C1 ZINC001462415040 986382896 /nfs/dbraw/zinc/38/28/96/986382896.db2.gz IOHOPMNDSLFEJW-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2cnccc2C)C1 ZINC001462415040 986382913 /nfs/dbraw/zinc/38/29/13/986382913.db2.gz IOHOPMNDSLFEJW-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC001462647132 986478856 /nfs/dbraw/zinc/47/88/56/986478856.db2.gz PZBMOCAIJSMDDX-ILDUYXDCSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC001462647132 986478867 /nfs/dbraw/zinc/47/88/67/986478867.db2.gz PZBMOCAIJSMDDX-ILDUYXDCSA-N 2 2 232.318 2.104 20 0 BEADLP Cc1cc(-c2cccc(CC[NH3+])c2)c[nH+]c1N ZINC001245540682 986924111 /nfs/dbraw/zinc/92/41/11/986924111.db2.gz YEOXOHPIYSEZDQ-UHFFFAOYSA-N 2 2 227.311 2.140 20 0 BEADLP Cc1ccc(C[C@H](C)n2cc[nH+]c2CC[NH3+])cc1 ZINC001255775592 987070225 /nfs/dbraw/zinc/07/02/25/987070225.db2.gz ZRABDIDCFBQOBY-ZDUSSCGKSA-N 2 2 243.354 2.496 20 0 BEADLP CS[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000689761150 987192233 /nfs/dbraw/zinc/19/22/33/987192233.db2.gz AWSOSONYASPISK-JQWIXIFHSA-N 2 2 239.388 2.102 20 0 BEADLP CC1(C)CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246080239 987371616 /nfs/dbraw/zinc/37/16/16/987371616.db2.gz DXLNSCBDKVTRLF-RYUDHWBXSA-N 2 2 228.355 2.245 20 0 BEADLP CC1(C)CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246080236 987372252 /nfs/dbraw/zinc/37/22/52/987372252.db2.gz DXLNSCBDKVTRLF-NEPJUHHUSA-N 2 2 228.355 2.245 20 0 BEADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090708 987398461 /nfs/dbraw/zinc/39/84/61/987398461.db2.gz GQYQAHCRRYXEKO-NDBYEHHHSA-N 2 2 230.371 2.491 20 0 BEADLP CCCCC(CCCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093243 987403014 /nfs/dbraw/zinc/40/30/14/987403014.db2.gz MPWIRYNYZKLSAW-AWEZNQCLSA-N 2 2 242.407 2.313 20 0 BEADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093535 987403055 /nfs/dbraw/zinc/40/30/55/987403055.db2.gz OIWDXBHQUYEOGV-KBPBESRZSA-N 2 2 242.407 2.169 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246094654 987406391 /nfs/dbraw/zinc/40/63/91/987406391.db2.gz XBEOQPPDSYJXDO-KGLIPLIRSA-N 2 2 242.407 2.313 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@H]1O ZINC001246100589 987419517 /nfs/dbraw/zinc/41/95/17/987419517.db2.gz NHHPMOLMNPNQGL-BFHYXJOUSA-N 2 2 242.407 2.048 20 0 BEADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246100969 987422568 /nfs/dbraw/zinc/42/25/68/987422568.db2.gz USFAFMHNUJZDDW-WOPDTQHZSA-N 2 2 216.344 2.101 20 0 BEADLP F[C@H]1C[NH2+][C@H](C[NH2+]C2CCCCCCC2)C1 ZINC001246108243 987439438 /nfs/dbraw/zinc/43/94/38/987439438.db2.gz ITAYGBXROBXYAN-YPMHNXCESA-N 2 2 228.355 2.389 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@@H]1C ZINC001246112797 987450177 /nfs/dbraw/zinc/45/01/77/987450177.db2.gz SAFDMFZNCFMURU-FHUSYTEZSA-N 2 2 228.355 2.101 20 0 BEADLP CCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246125085 987473183 /nfs/dbraw/zinc/47/31/83/987473183.db2.gz YBQVSARQBGAFTH-RWMBFGLXSA-N 2 2 228.380 2.051 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246136940 987495221 /nfs/dbraw/zinc/49/52/21/987495221.db2.gz YSLLWYGASWFXGD-RISCZKNCSA-N 2 2 248.345 2.098 20 0 BEADLP FC1(C[NH2+][C@@H]2CCCC[NH2+]C2)CCCCC1 ZINC001246164398 987528537 /nfs/dbraw/zinc/52/85/37/987528537.db2.gz AEGOADFUWFDNAS-GFCCVEGCSA-N 2 2 228.355 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(N)c1 ZINC001246174618 987543994 /nfs/dbraw/zinc/54/39/94/987543994.db2.gz FROGZRUOEPHWDF-FZMZJTMJSA-N 2 2 233.359 2.062 20 0 BEADLP CCC[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001473859270 987586797 /nfs/dbraw/zinc/58/67/97/987586797.db2.gz FQCMOPZUTGBCSI-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP CCC[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC001473859270 987586812 /nfs/dbraw/zinc/58/68/12/987586812.db2.gz FQCMOPZUTGBCSI-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001246197197 987591778 /nfs/dbraw/zinc/59/17/78/987591778.db2.gz ZDYHQIABOMTLJV-NJZAAPMLSA-N 2 2 230.355 2.404 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cn1 ZINC001246198012 987592780 /nfs/dbraw/zinc/59/27/80/987592780.db2.gz RXWAGRWTMCZMPV-JBLDHEPKSA-N 2 2 237.322 2.012 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246228961 987625724 /nfs/dbraw/zinc/62/57/24/987625724.db2.gz IZVNAZQQSJNWTQ-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccncc2)C2CC2)C[NH2+]1 ZINC001246281409 987675694 /nfs/dbraw/zinc/67/56/94/987675694.db2.gz UXXWPXUMOALPRV-BYCMXARLSA-N 2 2 245.370 2.263 20 0 BEADLP c1cc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2o1 ZINC001246329389 987733932 /nfs/dbraw/zinc/73/39/32/987733932.db2.gz PBZCEMFRSAIRKR-CYBMUJFWSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)C[NH2+]1 ZINC001246329005 987736370 /nfs/dbraw/zinc/73/63/70/987736370.db2.gz MTOPWOLVAIAVMO-BYCMXARLSA-N 2 2 245.370 2.263 20 0 BEADLP Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246357062 987763535 /nfs/dbraw/zinc/76/35/35/987763535.db2.gz IQEGGOJGVUSXOW-QWHCGFSZSA-N 2 2 248.345 2.025 20 0 BEADLP FC1(F)CCC2(C[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246382404 987777346 /nfs/dbraw/zinc/77/73/46/987777346.db2.gz DCGVKPDZELXGML-MNOVXSKESA-N 2 2 244.329 2.296 20 0 BEADLP Fc1cccc(CC2([NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC001246394074 987782575 /nfs/dbraw/zinc/78/25/75/987782575.db2.gz YLWDDVVAMVDCBR-CQSZACIVSA-N 2 2 248.345 2.242 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246532590 987890286 /nfs/dbraw/zinc/89/02/86/987890286.db2.gz WZXJGHNFBHNYJP-IUODEOHRSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246532590 987890292 /nfs/dbraw/zinc/89/02/92/987890292.db2.gz WZXJGHNFBHNYJP-IUODEOHRSA-N 2 2 248.345 2.106 20 0 BEADLP Cc1cccc2c1CC[N@@H+]([C@H]1CCCC[NH2+]C1)C2 ZINC001246549378 987938555 /nfs/dbraw/zinc/93/85/55/987938555.db2.gz QGSGYHLEKLUYKW-HNNXBMFYSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1cccc2c1CC[N@H+]([C@H]1CCCC[NH2+]C1)C2 ZINC001246549378 987938566 /nfs/dbraw/zinc/93/85/66/987938566.db2.gz QGSGYHLEKLUYKW-HNNXBMFYSA-N 2 2 244.382 2.495 20 0 BEADLP C[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569680 988048363 /nfs/dbraw/zinc/04/83/63/988048363.db2.gz RSFOLKJBXAYPHK-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP C[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569680 988048378 /nfs/dbraw/zinc/04/83/78/988048378.db2.gz RSFOLKJBXAYPHK-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP [NH3+][C@H]1C[C@@H](F)C[N@@H+](C2CCCCCC2)C1 ZINC001246575427 988077553 /nfs/dbraw/zinc/07/75/53/988077553.db2.gz MLJYVNVNNNYJOQ-MNOVXSKESA-N 2 2 214.328 2.080 20 0 BEADLP [NH3+][C@H]1C[C@@H](F)C[N@H+](C2CCCCCC2)C1 ZINC001246575427 988077567 /nfs/dbraw/zinc/07/75/67/988077567.db2.gz MLJYVNVNNNYJOQ-MNOVXSKESA-N 2 2 214.328 2.080 20 0 BEADLP CCSC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576371 988081785 /nfs/dbraw/zinc/08/17/85/988081785.db2.gz JXODDQZQNPSWQW-NWDGAFQWSA-N 2 2 248.411 2.281 20 0 BEADLP CCSC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576371 988081799 /nfs/dbraw/zinc/08/17/99/988081799.db2.gz JXODDQZQNPSWQW-NWDGAFQWSA-N 2 2 248.411 2.281 20 0 BEADLP CCSC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576368 988082402 /nfs/dbraw/zinc/08/24/02/988082402.db2.gz JXODDQZQNPSWQW-NEPJUHHUSA-N 2 2 248.411 2.281 20 0 BEADLP CCSC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576368 988082418 /nfs/dbraw/zinc/08/24/18/988082418.db2.gz JXODDQZQNPSWQW-NEPJUHHUSA-N 2 2 248.411 2.281 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246587767 988149526 /nfs/dbraw/zinc/14/95/26/988149526.db2.gz VJQMPXUSLRMOBU-SDDRHHMPSA-N 2 2 216.344 2.182 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246587767 988149534 /nfs/dbraw/zinc/14/95/34/988149534.db2.gz VJQMPXUSLRMOBU-SDDRHHMPSA-N 2 2 216.344 2.182 20 0 BEADLP CC(C)CCC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611246 988233613 /nfs/dbraw/zinc/23/36/13/988233613.db2.gz BMGKWOAPJMZTSC-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612821 988245581 /nfs/dbraw/zinc/24/55/81/988245581.db2.gz IEYOFSGHEUNDFP-OLZOCXBDSA-N 2 2 224.392 2.352 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CC2CCC1CC2 ZINC001118368725 988253826 /nfs/dbraw/zinc/25/38/26/988253826.db2.gz QJDYMBYRYBGGIP-UHFFFAOYSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CC2CCC1CC2 ZINC001118368725 988253851 /nfs/dbraw/zinc/25/38/51/988253851.db2.gz QJDYMBYRYBGGIP-UHFFFAOYSA-N 2 2 233.359 2.227 20 0 BEADLP CC(C)(C)C1CCC([NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001246614542 988255194 /nfs/dbraw/zinc/25/51/94/988255194.db2.gz OABWOVQLTAJROX-UHFFFAOYSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H](Cc1ccco1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642301 988344829 /nfs/dbraw/zinc/34/48/29/988344829.db2.gz IGXSBXMMCOOIDW-DZGCQCFKSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642301 988344849 /nfs/dbraw/zinc/34/48/49/988344849.db2.gz IGXSBXMMCOOIDW-DZGCQCFKSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246642302 988347262 /nfs/dbraw/zinc/34/72/62/988347262.db2.gz IGXSBXMMCOOIDW-HIFRSBDPSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246642302 988347280 /nfs/dbraw/zinc/34/72/80/988347280.db2.gz IGXSBXMMCOOIDW-HIFRSBDPSA-N 2 2 248.370 2.429 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641472 988350485 /nfs/dbraw/zinc/35/04/85/988350485.db2.gz IIZLUQXGDFMESW-XDQVBPFNSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641472 988350495 /nfs/dbraw/zinc/35/04/95/988350495.db2.gz IIZLUQXGDFMESW-XDQVBPFNSA-N 2 2 240.391 2.016 20 0 BEADLP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246650419 988372612 /nfs/dbraw/zinc/37/26/12/988372612.db2.gz AKZBYICAZJVNHW-GMXVVIOVSA-N 2 2 242.432 2.330 20 0 BEADLP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246650419 988372624 /nfs/dbraw/zinc/37/26/24/988372624.db2.gz AKZBYICAZJVNHW-GMXVVIOVSA-N 2 2 242.432 2.330 20 0 BEADLP Cc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001246650858 988377690 /nfs/dbraw/zinc/37/76/90/988377690.db2.gz JCQSQZVLEKUILD-CWRNSKLLSA-N 2 2 244.382 2.220 20 0 BEADLP Cc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001246650858 988377698 /nfs/dbraw/zinc/37/76/98/988377698.db2.gz JCQSQZVLEKUILD-CWRNSKLLSA-N 2 2 244.382 2.220 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793296 988475419 /nfs/dbraw/zinc/47/54/19/988475419.db2.gz USBRBRBVSGNOLE-VHDGCEQUSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793296 988475425 /nfs/dbraw/zinc/47/54/25/988475425.db2.gz USBRBRBVSGNOLE-VHDGCEQUSA-N 2 2 245.370 2.011 20 0 BEADLP CCCOC1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246793489 988475515 /nfs/dbraw/zinc/47/55/15/988475515.db2.gz ZTRDTCGFMFNDFK-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797615 988480826 /nfs/dbraw/zinc/48/08/26/988480826.db2.gz UTMUMNHTOZFRIQ-HZSPNIEDSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797615 988480828 /nfs/dbraw/zinc/48/08/28/988480828.db2.gz UTMUMNHTOZFRIQ-HZSPNIEDSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797627 988480992 /nfs/dbraw/zinc/48/09/92/988480992.db2.gz UTMUMNHTOZFRIQ-RDBSUJKOSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccccn3)C2)C[NH2+]1 ZINC001246797627 988480996 /nfs/dbraw/zinc/48/09/96/988480996.db2.gz UTMUMNHTOZFRIQ-RDBSUJKOSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822655 988507262 /nfs/dbraw/zinc/50/72/62/988507262.db2.gz MHQYRXXJVDGHES-ZYHUDNBSSA-N 2 2 234.318 2.282 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822655 988507274 /nfs/dbraw/zinc/50/72/74/988507274.db2.gz MHQYRXXJVDGHES-ZYHUDNBSSA-N 2 2 234.318 2.282 20 0 BEADLP Fc1ccc([C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848254 988563562 /nfs/dbraw/zinc/56/35/62/988563562.db2.gz NDKZZFNUELXDKZ-UKRRQHHQSA-N 2 2 248.345 2.367 20 0 BEADLP Fc1ccc([C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848254 988563572 /nfs/dbraw/zinc/56/35/72/988563572.db2.gz NDKZZFNUELXDKZ-UKRRQHHQSA-N 2 2 248.345 2.367 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001246870385 988630042 /nfs/dbraw/zinc/63/00/42/988630042.db2.gz ONMPXTAEJAWNHM-VGRIYTJTSA-N 2 2 248.292 2.141 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001246870385 988630052 /nfs/dbraw/zinc/63/00/52/988630052.db2.gz ONMPXTAEJAWNHM-VGRIYTJTSA-N 2 2 248.292 2.141 20 0 BEADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246919706 988731465 /nfs/dbraw/zinc/73/14/65/988731465.db2.gz NXKCOEFLWNMDIA-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246919706 988731491 /nfs/dbraw/zinc/73/14/91/988731491.db2.gz NXKCOEFLWNMDIA-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCCC[NH2+]C1)C2 ZINC001246966817 988795969 /nfs/dbraw/zinc/79/59/69/988795969.db2.gz KCTPNLFLZWKFAT-MRXNPFEDSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CCCC[NH2+]C1)C2 ZINC001246966817 988795977 /nfs/dbraw/zinc/79/59/77/988795977.db2.gz KCTPNLFLZWKFAT-MRXNPFEDSA-N 2 2 244.382 2.495 20 0 BEADLP CCCC[C@@H](CCC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982955 988805980 /nfs/dbraw/zinc/80/59/80/988805980.db2.gz KYEVYLGNPLQKPB-FRRDWIJNSA-N 2 2 228.380 2.003 20 0 BEADLP CCCC[C@@H](CCC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982955 988805984 /nfs/dbraw/zinc/80/59/84/988805984.db2.gz KYEVYLGNPLQKPB-FRRDWIJNSA-N 2 2 228.380 2.003 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982621 988816894 /nfs/dbraw/zinc/81/68/94/988816894.db2.gz GOKVLLCUOLYXOY-RFQIPJPRSA-N 2 2 242.407 2.249 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982621 988816898 /nfs/dbraw/zinc/81/68/98/988816898.db2.gz GOKVLLCUOLYXOY-RFQIPJPRSA-N 2 2 242.407 2.249 20 0 BEADLP CCCCCC[C@@H](C)[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990813 988823968 /nfs/dbraw/zinc/82/39/68/988823968.db2.gz RHSSGTPGGHYZGE-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP CCCCCC[C@@H](C)[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001246990813 988823973 /nfs/dbraw/zinc/82/39/73/988823973.db2.gz RHSSGTPGGHYZGE-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC001324824691 988995207 /nfs/dbraw/zinc/99/52/07/988995207.db2.gz WPVRFKOALJUJCR-CYBMUJFWSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC001324824691 988995213 /nfs/dbraw/zinc/99/52/13/988995213.db2.gz WPVRFKOALJUJCR-CYBMUJFWSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC001324824692 988996025 /nfs/dbraw/zinc/99/60/25/988996025.db2.gz WPVRFKOALJUJCR-ZDUSSCGKSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC001324824692 988996042 /nfs/dbraw/zinc/99/60/42/988996042.db2.gz WPVRFKOALJUJCR-ZDUSSCGKSA-N 2 2 247.386 2.475 20 0 BEADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C1(C)C ZINC001324903860 989015974 /nfs/dbraw/zinc/01/59/74/989015974.db2.gz FFVFEIPMNJUYTM-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C1(C)C ZINC001324903860 989015971 /nfs/dbraw/zinc/01/59/71/989015971.db2.gz FFVFEIPMNJUYTM-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001326304738 989476093 /nfs/dbraw/zinc/47/60/93/989476093.db2.gz GJXZPDCBOJTADB-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001326304738 989476107 /nfs/dbraw/zinc/47/61/07/989476107.db2.gz GJXZPDCBOJTADB-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001326304738 989476125 /nfs/dbraw/zinc/47/61/25/989476125.db2.gz GJXZPDCBOJTADB-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001326304738 989476138 /nfs/dbraw/zinc/47/61/38/989476138.db2.gz GJXZPDCBOJTADB-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccnc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC001326518569 989595911 /nfs/dbraw/zinc/59/59/11/989595911.db2.gz JQOWWMHBLHBREX-UHFFFAOYSA-N 2 2 249.402 2.458 20 0 BEADLP Cc1cccnc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC001326518569 989595922 /nfs/dbraw/zinc/59/59/22/989595922.db2.gz JQOWWMHBLHBREX-UHFFFAOYSA-N 2 2 249.402 2.458 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)Nc1cc[nH+]cc1F ZINC001120956234 989986858 /nfs/dbraw/zinc/98/68/58/989986858.db2.gz UUEANSFKXVJTMB-LLVKDONJSA-N 2 2 239.338 2.175 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258185515 991089096 /nfs/dbraw/zinc/08/90/96/991089096.db2.gz PQINCYVTHOILAR-LBPRGKRZSA-N 2 2 246.310 2.274 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258213354 991132522 /nfs/dbraw/zinc/13/25/22/991132522.db2.gz ZTJGVJDDTWUIIH-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258213354 991132545 /nfs/dbraw/zinc/13/25/45/991132545.db2.gz ZTJGVJDDTWUIIH-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139355768 991230300 /nfs/dbraw/zinc/23/03/00/991230300.db2.gz APOIBIDXCBUTBG-GFCCVEGCSA-N 2 2 227.311 2.467 20 0 BEADLP C[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139355768 991230309 /nfs/dbraw/zinc/23/03/09/991230309.db2.gz APOIBIDXCBUTBG-GFCCVEGCSA-N 2 2 227.311 2.467 20 0 BEADLP CSC(C)(C)C[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001258320148 991244364 /nfs/dbraw/zinc/24/43/64/991244364.db2.gz MPYHDEVLFLHEAP-LLVKDONJSA-N 2 2 241.404 2.393 20 0 BEADLP CCCCC(CCCC)[NH2+]C1(C[NH3+])COC1 ZINC001258378087 991333842 /nfs/dbraw/zinc/33/38/42/991333842.db2.gz FJSFBXYTVZSYIR-UHFFFAOYSA-N 2 2 228.380 2.053 20 0 BEADLP CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560137260 991393974 /nfs/dbraw/zinc/39/39/74/991393974.db2.gz ZQOGBWQWDJRLHV-RWMBFGLXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001560137260 991393980 /nfs/dbraw/zinc/39/39/80/991393980.db2.gz ZQOGBWQWDJRLHV-RWMBFGLXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001560137260 991393982 /nfs/dbraw/zinc/39/39/82/991393982.db2.gz ZQOGBWQWDJRLHV-RWMBFGLXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001560137260 991393990 /nfs/dbraw/zinc/39/39/90/991393990.db2.gz ZQOGBWQWDJRLHV-RWMBFGLXSA-N 2 2 210.365 2.344 20 0 BEADLP CCCC[C@H](CCC)[NH2+]CC1C[NH+](C)C1 ZINC001258757214 991690665 /nfs/dbraw/zinc/69/06/65/991690665.db2.gz KKGXYXUEJXNNAL-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc[nH+]1 ZINC001318780425 991715505 /nfs/dbraw/zinc/71/55/05/991715505.db2.gz UAOFPSXRSOWJOI-NEPJUHHUSA-N 2 2 234.347 2.070 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2CCC[C@H](F)C2)CC1 ZINC001258774558 991739704 /nfs/dbraw/zinc/73/97/04/991739704.db2.gz RPEXLJNUJHCZCM-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[NH+]1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC001258774558 991739710 /nfs/dbraw/zinc/73/97/10/991739710.db2.gz RPEXLJNUJHCZCM-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C/C=C/Cl ZINC001575130780 992994607 /nfs/dbraw/zinc/99/46/07/992994607.db2.gz PWUOGOZTBLWGFC-LJJSCBMDSA-N 2 2 218.772 2.482 20 0 BEADLP CCc1ccc(NC[C@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC001262682867 993025079 /nfs/dbraw/zinc/02/50/79/993025079.db2.gz NQEVCEIUIRYBSK-CYBMUJFWSA-N 2 2 233.359 2.398 20 0 BEADLP CCc1ccc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC001262682867 993025087 /nfs/dbraw/zinc/02/50/87/993025087.db2.gz NQEVCEIUIRYBSK-CYBMUJFWSA-N 2 2 233.359 2.398 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C/C=C\c1cccc(F)c1 ZINC001576149673 993182992 /nfs/dbraw/zinc/18/29/92/993182992.db2.gz JSDKNQKMEPIZQJ-VLWUPBBWSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC001576149673 993182995 /nfs/dbraw/zinc/18/29/95/993182995.db2.gz JSDKNQKMEPIZQJ-VLWUPBBWSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C/C=C\c1cccc(F)c1 ZINC001576149672 993192032 /nfs/dbraw/zinc/19/20/32/993192032.db2.gz JSDKNQKMEPIZQJ-QZPNVGJNSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC001576149672 993192036 /nfs/dbraw/zinc/19/20/36/993192036.db2.gz JSDKNQKMEPIZQJ-QZPNVGJNSA-N 2 2 222.307 2.118 20 0 BEADLP C[NH+]1CC(C[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000379452233 993244702 /nfs/dbraw/zinc/24/47/02/993244702.db2.gz LBLBGOUMEKMHOA-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccccc1CF ZINC001576488813 993320451 /nfs/dbraw/zinc/32/04/51/993320451.db2.gz GUDTURKPBCJNBS-CYBMUJFWSA-N 2 2 236.334 2.386 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC000380781298 993345484 /nfs/dbraw/zinc/34/54/84/993345484.db2.gz BWNOYXQFJCWYRX-NOZJJQNGSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC000380781298 993345487 /nfs/dbraw/zinc/34/54/87/993345487.db2.gz BWNOYXQFJCWYRX-NOZJJQNGSA-N 2 2 222.307 2.092 20 0 BEADLP CCOc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382407075 993459644 /nfs/dbraw/zinc/45/96/44/993459644.db2.gz BMPUBWOEWXPDLJ-GHMZBOCLSA-N 2 2 235.331 2.162 20 0 BEADLP C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000386954094 993697744 /nfs/dbraw/zinc/69/77/44/993697744.db2.gz XIXJHKJIJLIRQL-NEPJUHHUSA-N 2 2 208.349 2.051 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000724784735 994072967 /nfs/dbraw/zinc/07/29/67/994072967.db2.gz NGZPNBVQAATDGS-YPMHNXCESA-N 2 2 219.332 2.483 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000724784735 994072979 /nfs/dbraw/zinc/07/29/79/994072979.db2.gz NGZPNBVQAATDGS-YPMHNXCESA-N 2 2 219.332 2.483 20 0 BEADLP C[NH+](C)[C@@H]1CC[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC001333825482 994530048 /nfs/dbraw/zinc/53/00/48/994530048.db2.gz HGEOIWRIXPQBRE-MELADBBJSA-N 2 2 245.370 2.248 20 0 BEADLP c1cn(CC[NH2+]Cc2cccc3ccoc32)c[nH+]1 ZINC001308179172 995595965 /nfs/dbraw/zinc/59/59/65/995595965.db2.gz KIIOJVKHKLIMGS-UHFFFAOYSA-N 2 2 241.294 2.419 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001620789689 1170130058 /nfs/dbraw/zinc/13/00/58/1170130058.db2.gz GCCVCPLVEOFQCE-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001620789689 1170130061 /nfs/dbraw/zinc/13/00/61/1170130061.db2.gz GCCVCPLVEOFQCE-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC001620470931 1170672229 /nfs/dbraw/zinc/67/22/29/1170672229.db2.gz YXUQSUXIDGBWLB-ZSHCYNCHSA-N 2 2 244.382 2.295 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC001620470931 1170672244 /nfs/dbraw/zinc/67/22/44/1170672244.db2.gz YXUQSUXIDGBWLB-ZSHCYNCHSA-N 2 2 244.382 2.295 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620627854 1170690158 /nfs/dbraw/zinc/69/01/58/1170690158.db2.gz QKBVMXVLFNUYCN-YUELXQCFSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620627854 1170690160 /nfs/dbraw/zinc/69/01/60/1170690160.db2.gz QKBVMXVLFNUYCN-YUELXQCFSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001620627854 1170690164 /nfs/dbraw/zinc/69/01/64/1170690164.db2.gz QKBVMXVLFNUYCN-YUELXQCFSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001620627854 1170690167 /nfs/dbraw/zinc/69/01/67/1170690167.db2.gz QKBVMXVLFNUYCN-YUELXQCFSA-N 2 2 245.370 2.026 20 0 BEADLP CC(C)CC[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028353 1171003848 /nfs/dbraw/zinc/00/38/48/1171003848.db2.gz CECGAKYECXXPFB-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1Cc2ccccc2C1 ZINC000042598083 1171241685 /nfs/dbraw/zinc/24/16/85/1171241685.db2.gz COFGHHIZDOQDNO-ZDUSSCGKSA-N 2 2 244.382 2.228 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378685005 346807988 /nfs/dbraw/zinc/80/79/88/346807988.db2.gz BWTSIYOBNFQYKI-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155649239 136213394 /nfs/dbraw/zinc/21/33/94/136213394.db2.gz BIPJIIBPRYXAPE-OAHLLOKOSA-N 2 2 241.338 2.469 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422939153 398158590 /nfs/dbraw/zinc/15/85/90/398158590.db2.gz HVDBACQNMRYLKC-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP C(C1CC1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188547 349500904 /nfs/dbraw/zinc/50/09/04/349500904.db2.gz DBZBKECQPJYAAA-STQMWFEESA-N 2 2 208.349 2.003 20 0 BEADLP C(C1CC1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188547 349500908 /nfs/dbraw/zinc/50/09/08/349500908.db2.gz DBZBKECQPJYAAA-STQMWFEESA-N 2 2 208.349 2.003 20 0 BEADLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)cs1 ZINC000285773252 178021240 /nfs/dbraw/zinc/02/12/40/178021240.db2.gz FDSIULXHFXEKJP-UHFFFAOYSA-N 2 2 224.373 2.242 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1F ZINC000105423720 178024212 /nfs/dbraw/zinc/02/42/12/178024212.db2.gz JOJHVPZBAZEBIJ-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1F ZINC000105423720 178024213 /nfs/dbraw/zinc/02/42/13/178024213.db2.gz JOJHVPZBAZEBIJ-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000379807825 398168242 /nfs/dbraw/zinc/16/82/42/398168242.db2.gz OOJQRYLBHGCQIA-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000379807825 398168247 /nfs/dbraw/zinc/16/82/47/398168247.db2.gz OOJQRYLBHGCQIA-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cs1 ZINC000296561873 178025078 /nfs/dbraw/zinc/02/50/78/178025078.db2.gz VGWVYWHHZUIYPB-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cs1 ZINC000296561873 178025079 /nfs/dbraw/zinc/02/50/79/178025079.db2.gz VGWVYWHHZUIYPB-GFCCVEGCSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cccc(C)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313277538 398180596 /nfs/dbraw/zinc/18/05/96/398180596.db2.gz APQDYILGXFNIMR-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3occc32)c1 ZINC000313278497 398182509 /nfs/dbraw/zinc/18/25/09/398182509.db2.gz BNGFDWHFWHHTRT-CYBMUJFWSA-N 2 2 245.326 2.223 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C1C[NH2+]C1 ZINC000423021858 398162721 /nfs/dbraw/zinc/16/27/21/398162721.db2.gz GJKOQHOMOBFCRJ-BDAKNGLRSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233395 398165301 /nfs/dbraw/zinc/16/53/01/398165301.db2.gz JSRYUZYNDHKVRL-OSAQELSMSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000050569179 178087186 /nfs/dbraw/zinc/08/71/86/178087186.db2.gz QNNRFMMDYWHOOL-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP CCC(=O)CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000649386213 398192805 /nfs/dbraw/zinc/19/28/05/398192805.db2.gz MODVJNGEQCTQNH-UHFFFAOYSA-N 2 2 249.358 2.348 20 0 BEADLP CO[C@@H](C[N@@H+]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000386019424 398194172 /nfs/dbraw/zinc/19/41/72/398194172.db2.gz WTBXCPICGMRBOM-GJZGRUSLSA-N 2 2 248.370 2.187 20 0 BEADLP CO[C@@H](C[N@H+]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000386019424 398194176 /nfs/dbraw/zinc/19/41/76/398194176.db2.gz WTBXCPICGMRBOM-GJZGRUSLSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(F)cc1 ZINC000313282408 398184810 /nfs/dbraw/zinc/18/48/10/398184810.db2.gz NEHJYGNKVGKIGU-NSHDSACASA-N 2 2 247.317 2.453 20 0 BEADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCC[NH3+] ZINC000649410017 398209390 /nfs/dbraw/zinc/20/93/90/398209390.db2.gz IDAYNULFVCPHOZ-JTQLQIEISA-N 2 2 239.363 2.314 20 0 BEADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCC[NH3+] ZINC000649410017 398209392 /nfs/dbraw/zinc/20/93/92/398209392.db2.gz IDAYNULFVCPHOZ-JTQLQIEISA-N 2 2 239.363 2.314 20 0 BEADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCC[NH3+] ZINC000649410018 398209223 /nfs/dbraw/zinc/20/92/23/398209223.db2.gz IDAYNULFVCPHOZ-SNVBAGLBSA-N 2 2 239.363 2.314 20 0 BEADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCC[NH3+] ZINC000649410018 398209225 /nfs/dbraw/zinc/20/92/25/398209225.db2.gz IDAYNULFVCPHOZ-SNVBAGLBSA-N 2 2 239.363 2.314 20 0 BEADLP Cc1cc(NCC[NH+](C(C)C)C(C)C)nc[nH+]1 ZINC000040726998 178159199 /nfs/dbraw/zinc/15/91/99/178159199.db2.gz TVCWMWQJXFTUFJ-UHFFFAOYSA-N 2 2 236.363 2.316 20 0 BEADLP Cc1cc(NCC[NH+]2CCCCCC2)nc(C)[nH+]1 ZINC000040433111 178162245 /nfs/dbraw/zinc/16/22/45/178162245.db2.gz AJGIVYKLVBFGKJ-UHFFFAOYSA-N 2 2 248.374 2.381 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000163635869 538929664 /nfs/dbraw/zinc/92/96/64/538929664.db2.gz SNOXOFYKAKUUBG-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc[nH+]1 ZINC000301251551 178169226 /nfs/dbraw/zinc/16/92/26/178169226.db2.gz PVWLVKUXVGAQPF-LLVKDONJSA-N 2 2 246.314 2.093 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CCC[NH+](C)C)c(C)s1 ZINC000020091913 538930627 /nfs/dbraw/zinc/93/06/27/538930627.db2.gz RVCLXDUQALFRSK-VIFPVBQESA-N 2 2 241.404 2.362 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc[nH+]1 ZINC000301619440 178170564 /nfs/dbraw/zinc/17/05/64/178170564.db2.gz XCYFZKKSABLERL-CYBMUJFWSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc[nH+]1 ZINC000301619440 178170566 /nfs/dbraw/zinc/17/05/66/178170566.db2.gz XCYFZKKSABLERL-CYBMUJFWSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CCC[NH+](C)C)c(C)s1 ZINC000020091911 538930502 /nfs/dbraw/zinc/93/05/02/538930502.db2.gz RVCLXDUQALFRSK-SECBINFHSA-N 2 2 241.404 2.362 20 0 BEADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000275772871 178183513 /nfs/dbraw/zinc/18/35/13/178183513.db2.gz HEZKWKBBHHEDKD-ZYHUDNBSSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000275772871 178183514 /nfs/dbraw/zinc/18/35/14/178183514.db2.gz HEZKWKBBHHEDKD-ZYHUDNBSSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1cc(N[C@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000042548078 178190702 /nfs/dbraw/zinc/19/07/02/178190702.db2.gz UMUJBMQPTLNRJV-NSHDSACASA-N 2 2 234.347 2.024 20 0 BEADLP Cc1cc(N[C@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000042548078 178190703 /nfs/dbraw/zinc/19/07/03/178190703.db2.gz UMUJBMQPTLNRJV-NSHDSACASA-N 2 2 234.347 2.024 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000421391141 192327698 /nfs/dbraw/zinc/32/76/98/192327698.db2.gz WDWZFDPMPHCGBS-XHDPSFHLSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000421391141 192327699 /nfs/dbraw/zinc/32/76/99/192327699.db2.gz WDWZFDPMPHCGBS-XHDPSFHLSA-N 2 2 247.386 2.128 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430562738 398228052 /nfs/dbraw/zinc/22/80/52/398228052.db2.gz GBSRSPIYWXOXMX-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000430562738 398228056 /nfs/dbraw/zinc/22/80/56/398228056.db2.gz GBSRSPIYWXOXMX-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000164514802 361768492 /nfs/dbraw/zinc/76/84/92/361768492.db2.gz GABRGOVYFONDMY-IJLUTSLNSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000164514802 361768495 /nfs/dbraw/zinc/76/84/95/361768495.db2.gz GABRGOVYFONDMY-IJLUTSLNSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c(C)o1 ZINC000041119418 178226352 /nfs/dbraw/zinc/22/63/52/178226352.db2.gz UAIAXSXXKOXNRF-LLVKDONJSA-N 2 2 233.315 2.444 20 0 BEADLP CCC(CC)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000122194858 168361116 /nfs/dbraw/zinc/36/11/16/168361116.db2.gz HLMRKIGNOKMQIL-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000122194858 168361118 /nfs/dbraw/zinc/36/11/18/168361118.db2.gz HLMRKIGNOKMQIL-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000035275240 168363330 /nfs/dbraw/zinc/36/33/30/168363330.db2.gz YNSPISKNZRMHJU-NSHDSACASA-N 2 2 209.337 2.297 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000566500759 323003682 /nfs/dbraw/zinc/00/36/82/323003682.db2.gz QUUNUABATQKPNC-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336753516 168363426 /nfs/dbraw/zinc/36/34/26/168363426.db2.gz GVUAHABJSSNNSE-WCQYABFASA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336753516 168363432 /nfs/dbraw/zinc/36/34/32/168363432.db2.gz GVUAHABJSSNNSE-WCQYABFASA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336753517 168364215 /nfs/dbraw/zinc/36/42/15/168364215.db2.gz GVUAHABJSSNNSE-YPMHNXCESA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336753517 168364219 /nfs/dbraw/zinc/36/42/19/168364219.db2.gz GVUAHABJSSNNSE-YPMHNXCESA-N 2 2 212.381 2.495 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465893 136229008 /nfs/dbraw/zinc/22/90/08/136229008.db2.gz BZZMQQMJCXOUJP-PWSUYJOCSA-N 2 2 236.384 2.467 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473453 136229057 /nfs/dbraw/zinc/22/90/57/136229057.db2.gz BZZMQQMJCXOUJP-JQWIXIFHSA-N 2 2 236.384 2.467 20 0 BEADLP CCC[NH+]1CCC(Nc2[nH+]cccc2OC)CC1 ZINC000169146322 538947067 /nfs/dbraw/zinc/94/70/67/538947067.db2.gz QWSFYHSSJTZKNX-UHFFFAOYSA-N 2 2 249.358 2.377 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386252793 398264004 /nfs/dbraw/zinc/26/40/04/398264004.db2.gz SFAOCAATVLJXMA-BXKDBHETSA-N 2 2 237.347 2.036 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386252793 398264007 /nfs/dbraw/zinc/26/40/07/398264007.db2.gz SFAOCAATVLJXMA-BXKDBHETSA-N 2 2 237.347 2.036 20 0 BEADLP c1cn(CC[NH+]2C[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000162177582 349585795 /nfs/dbraw/zinc/58/57/95/349585795.db2.gz VSUREAJQBDQDDZ-CHWSQXEVSA-N 2 2 219.332 2.005 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165180236 361834711 /nfs/dbraw/zinc/83/47/11/361834711.db2.gz MGYFFDOLNRCOOZ-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CCCC(F)(F)F)[NH2+]CC[NH+](C)C ZINC000166648254 361852935 /nfs/dbraw/zinc/85/29/35/361852935.db2.gz QLXOGHDLBBXDQZ-VIFPVBQESA-N 2 2 226.286 2.259 20 0 BEADLP Cn1cc[nH+]c1-c1ccc([C@H]2C[C@H]([NH3+])C2)cc1 ZINC000630053196 361922257 /nfs/dbraw/zinc/92/22/57/361922257.db2.gz QLHSGIZCNWRNED-JOCQHMNTSA-N 2 2 227.311 2.292 20 0 BEADLP CC(C)C([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000380276193 538988711 /nfs/dbraw/zinc/98/87/11/538988711.db2.gz XSOWFZCZSLBJJV-NEPJUHHUSA-N 2 2 212.381 2.207 20 0 BEADLP CC(C)C([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000380276193 538988712 /nfs/dbraw/zinc/98/87/12/538988712.db2.gz XSOWFZCZSLBJJV-NEPJUHHUSA-N 2 2 212.381 2.207 20 0 BEADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(F)F ZINC000191508662 538992155 /nfs/dbraw/zinc/99/21/55/538992155.db2.gz VIAMOAIFLQITJE-UHFFFAOYSA-N 2 2 245.317 2.423 20 0 BEADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(F)F ZINC000191508662 538992156 /nfs/dbraw/zinc/99/21/56/538992156.db2.gz VIAMOAIFLQITJE-UHFFFAOYSA-N 2 2 245.317 2.423 20 0 BEADLP CC1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000381503127 539002856 /nfs/dbraw/zinc/00/28/56/539002856.db2.gz PJKUFFYREZSVOI-ZDUSSCGKSA-N 2 2 222.376 2.251 20 0 BEADLP CC1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000381503127 539002857 /nfs/dbraw/zinc/00/28/57/539002857.db2.gz PJKUFFYREZSVOI-ZDUSSCGKSA-N 2 2 222.376 2.251 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381356168 538998510 /nfs/dbraw/zinc/99/85/10/538998510.db2.gz CIEYSUJUYKKLKM-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381356168 538998512 /nfs/dbraw/zinc/99/85/12/538998512.db2.gz CIEYSUJUYKKLKM-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CC1)[NH+]1CCC(C)CC1 ZINC000390504878 539022896 /nfs/dbraw/zinc/02/28/96/539022896.db2.gz WOIKDSFQNDILJZ-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP Clc1ccsc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000389318640 539016077 /nfs/dbraw/zinc/01/60/77/539016077.db2.gz GGCOFMYSOUQFPG-RKDXNWHRSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1ccsc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000389318622 539016259 /nfs/dbraw/zinc/01/62/59/539016259.db2.gz GGCOFMYSOUQFPG-IUCAKERBSA-N 2 2 242.775 2.053 20 0 BEADLP CC1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000309745528 342846252 /nfs/dbraw/zinc/84/62/52/342846252.db2.gz FKTKSOIELMWFBL-UHFFFAOYSA-N 2 2 219.332 2.108 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000580301868 346874862 /nfs/dbraw/zinc/87/48/62/346874862.db2.gz WIHMDADCDGRHDM-LBPRGKRZSA-N 2 2 236.359 2.264 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000037467958 342932609 /nfs/dbraw/zinc/93/26/09/342932609.db2.gz MYABEOKOYGZXEH-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000037467958 342932611 /nfs/dbraw/zinc/93/26/11/342932611.db2.gz MYABEOKOYGZXEH-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1occc1C ZINC000157328874 398340155 /nfs/dbraw/zinc/34/01/55/398340155.db2.gz RCLWJBCVSLJPAJ-UHFFFAOYSA-N 2 2 224.348 2.410 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000576814646 365690872 /nfs/dbraw/zinc/69/08/72/365690872.db2.gz IQZKJRNCYSLXJY-RKDXNWHRSA-N 2 2 239.388 2.236 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@H+](C)C1CC1 ZINC000304590741 259335317 /nfs/dbraw/zinc/33/53/17/259335317.db2.gz PGLQBNDWVQBBJV-ZMJPVWNMSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)C1CC1 ZINC000304590741 259335318 /nfs/dbraw/zinc/33/53/18/259335318.db2.gz PGLQBNDWVQBBJV-ZMJPVWNMSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000304561408 259335414 /nfs/dbraw/zinc/33/54/14/259335414.db2.gz VUSOMNWEZWHKCP-NEPJUHHUSA-N 2 2 239.388 2.004 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000020123240 342970023 /nfs/dbraw/zinc/97/00/23/342970023.db2.gz FAWXNJUNBOHSAR-GFCCVEGCSA-N 2 2 233.359 2.217 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000020123239 342970066 /nfs/dbraw/zinc/97/00/66/342970066.db2.gz FAWXNJUNBOHSAR-LBPRGKRZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000019960039 342964719 /nfs/dbraw/zinc/96/47/19/342964719.db2.gz YOAGPLXSRPVHPL-GXTWGEPZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000019960039 342964722 /nfs/dbraw/zinc/96/47/22/342964722.db2.gz YOAGPLXSRPVHPL-GXTWGEPZSA-N 2 2 233.359 2.217 20 0 BEADLP CSC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000602724743 349714298 /nfs/dbraw/zinc/71/42/98/349714298.db2.gz AIOKSTVWMFIUNU-UHFFFAOYSA-N 2 2 239.388 2.056 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000246993501 343016509 /nfs/dbraw/zinc/01/65/09/343016509.db2.gz KJARINNVUFPSLF-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000246993501 343016512 /nfs/dbraw/zinc/01/65/12/343016512.db2.gz KJARINNVUFPSLF-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP CS[C@@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000162583096 349757805 /nfs/dbraw/zinc/75/78/05/349757805.db2.gz AYBTZKDNSLDKSF-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP CS[C@@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162583096 349757809 /nfs/dbraw/zinc/75/78/09/349757809.db2.gz AYBTZKDNSLDKSF-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000043393733 343062643 /nfs/dbraw/zinc/06/26/43/343062643.db2.gz JKVYJNFBLRKVEJ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000043393733 343062644 /nfs/dbraw/zinc/06/26/44/343062644.db2.gz JKVYJNFBLRKVEJ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC(C)CSCCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336657473 187231062 /nfs/dbraw/zinc/23/10/62/187231062.db2.gz IKJUCHPETLUFQP-STQMWFEESA-N 2 2 244.448 2.305 20 0 BEADLP CC(C)CSCCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336657473 187231064 /nfs/dbraw/zinc/23/10/64/187231064.db2.gz IKJUCHPETLUFQP-STQMWFEESA-N 2 2 244.448 2.305 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634680326 343147379 /nfs/dbraw/zinc/14/73/79/343147379.db2.gz QAPBHWGLIPXEBQ-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634680326 343147380 /nfs/dbraw/zinc/14/73/80/343147380.db2.gz QAPBHWGLIPXEBQ-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)n1C ZINC000576958964 365734352 /nfs/dbraw/zinc/73/43/52/365734352.db2.gz TXDHBYGFRDNFEK-AAEUAGOBSA-N 2 2 221.348 2.110 20 0 BEADLP CCCC[C@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000068986861 343254489 /nfs/dbraw/zinc/25/44/89/343254489.db2.gz IUQJSBFZTBICDZ-RYUDHWBXSA-N 2 2 200.370 2.495 20 0 BEADLP C[N@H+](Cc1cccc2ncccc12)[C@@H]1CC[NH2+]C1 ZINC000634687746 343241971 /nfs/dbraw/zinc/24/19/71/343241971.db2.gz YBGGCIZILKIGEW-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1cccc2ncccc12)[C@@H]1CC[NH2+]C1 ZINC000634687746 343241972 /nfs/dbraw/zinc/24/19/72/343241972.db2.gz YBGGCIZILKIGEW-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348754602 136297823 /nfs/dbraw/zinc/29/78/23/136297823.db2.gz BNKLHRRNSKOZIY-AWEZNQCLSA-N 2 2 236.334 2.052 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348754602 136297824 /nfs/dbraw/zinc/29/78/24/136297824.db2.gz BNKLHRRNSKOZIY-AWEZNQCLSA-N 2 2 236.334 2.052 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1F ZINC000035275013 343292044 /nfs/dbraw/zinc/29/20/44/343292044.db2.gz UJRJQGSTBJWLNK-NSHDSACASA-N 2 2 233.290 2.201 20 0 BEADLP CC[NH+]1CCC(Nc2ccc(C)c[nH+]2)CC1 ZINC000038098349 343371287 /nfs/dbraw/zinc/37/12/87/343371287.db2.gz ZZVSBMWJAHLWQD-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CC ZINC000070558519 343334582 /nfs/dbraw/zinc/33/45/82/343334582.db2.gz SBTNRNRGEAEKCR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000070558519 343334584 /nfs/dbraw/zinc/33/45/84/343334584.db2.gz SBTNRNRGEAEKCR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000037158086 343337305 /nfs/dbraw/zinc/33/73/05/343337305.db2.gz YGWUPYQEJLXSMW-NWDGAFQWSA-N 2 2 245.326 2.328 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000037213835 343339479 /nfs/dbraw/zinc/33/94/79/343339479.db2.gz BCZRSVBWTKKRAV-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C(C)C ZINC000037213835 343339481 /nfs/dbraw/zinc/33/94/81/343339481.db2.gz BCZRSVBWTKKRAV-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[C@@H]1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348838066 136302230 /nfs/dbraw/zinc/30/22/30/136302230.db2.gz LUKKZUFAGWMUCU-DGCLKSJQSA-N 2 2 242.326 2.394 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335647435 136304252 /nfs/dbraw/zinc/30/42/52/136304252.db2.gz UGJQJBAMTNVIQW-LBPRGKRZSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)n1C ZINC000668241773 487535376 /nfs/dbraw/zinc/53/53/76/487535376.db2.gz OBHAPLLVNIXFAD-CYBMUJFWSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C3CCC3)C2)n1C ZINC000668241773 487535385 /nfs/dbraw/zinc/53/53/85/487535385.db2.gz OBHAPLLVNIXFAD-CYBMUJFWSA-N 2 2 233.359 2.351 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC000335640632 136308342 /nfs/dbraw/zinc/30/83/42/136308342.db2.gz OTFKHHYEQMDFEU-KOLCDFICSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC000335640635 136308402 /nfs/dbraw/zinc/30/84/02/136308402.db2.gz OTFKHHYEQMDFEU-ONGXEEELSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000335640905 136308587 /nfs/dbraw/zinc/30/85/87/136308587.db2.gz DTFWZKIPVXQIEF-LLVKDONJSA-N 2 2 224.735 2.100 20 0 BEADLP Fc1cc(F)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335642346 136309010 /nfs/dbraw/zinc/30/90/10/136309010.db2.gz IAQICFJMBSNCTB-ZDUSSCGKSA-N 2 2 240.297 2.197 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000397815409 262935575 /nfs/dbraw/zinc/93/55/75/262935575.db2.gz HWXNPBQYNIFKGU-NSHDSACASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335694468 136326424 /nfs/dbraw/zinc/32/64/24/136326424.db2.gz CUDBMLDBMOYGQA-PWSUYJOCSA-N 2 2 219.332 2.245 20 0 BEADLP CCOc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000041065911 343414683 /nfs/dbraw/zinc/41/46/83/343414683.db2.gz MOVDTYSFYDTZRS-UHFFFAOYSA-N 2 2 245.326 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCSC2)c[nH+]1 ZINC000336729237 178531316 /nfs/dbraw/zinc/53/13/16/178531316.db2.gz HQUWHYKYZVGZKL-CYBMUJFWSA-N 2 2 236.384 2.418 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000350480756 136361283 /nfs/dbraw/zinc/36/12/83/136361283.db2.gz PXBHVJBBTISCEQ-TYNCELHUSA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000350480756 136361284 /nfs/dbraw/zinc/36/12/84/136361284.db2.gz PXBHVJBBTISCEQ-TYNCELHUSA-N 2 2 245.370 2.215 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064679 136367155 /nfs/dbraw/zinc/36/71/55/136367155.db2.gz PEMAHRHLEMNTHG-CHWSQXEVSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064679 136367156 /nfs/dbraw/zinc/36/71/56/136367156.db2.gz PEMAHRHLEMNTHG-CHWSQXEVSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064679 136367157 /nfs/dbraw/zinc/36/71/57/136367157.db2.gz PEMAHRHLEMNTHG-CHWSQXEVSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000351064679 136367158 /nfs/dbraw/zinc/36/71/58/136367158.db2.gz PEMAHRHLEMNTHG-CHWSQXEVSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351064679 136367159 /nfs/dbraw/zinc/36/71/59/136367159.db2.gz PEMAHRHLEMNTHG-CHWSQXEVSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351064679 136367160 /nfs/dbraw/zinc/36/71/60/136367160.db2.gz PEMAHRHLEMNTHG-CHWSQXEVSA-N 2 2 248.374 2.031 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCCCC1 ZINC000130216539 136372676 /nfs/dbraw/zinc/37/26/76/136372676.db2.gz GPTOJWYZJHRPEM-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000042543881 343442854 /nfs/dbraw/zinc/44/28/54/343442854.db2.gz MWXSLOWRRYXNPL-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000042543881 343442855 /nfs/dbraw/zinc/44/28/55/343442855.db2.gz MWXSLOWRRYXNPL-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939021 343573879 /nfs/dbraw/zinc/57/38/79/343573879.db2.gz MXDVNSJXYINZMA-ZDUSSCGKSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939021 343573883 /nfs/dbraw/zinc/57/38/83/343573883.db2.gz MXDVNSJXYINZMA-ZDUSSCGKSA-N 2 2 243.354 2.352 20 0 BEADLP CSC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000602923693 349820495 /nfs/dbraw/zinc/82/04/95/349820495.db2.gz UZRPJPDNNLWJIE-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000379954767 343659411 /nfs/dbraw/zinc/65/94/11/343659411.db2.gz UZNITSLJKBJVQX-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000379954767 343659413 /nfs/dbraw/zinc/65/94/13/343659413.db2.gz UZNITSLJKBJVQX-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH+](C)CCC[NH2+][C@H]1CCCc2scnc21 ZINC000623849898 343694740 /nfs/dbraw/zinc/69/47/40/343694740.db2.gz RHGNMJJZEQVUFG-JTQLQIEISA-N 2 2 239.388 2.062 20 0 BEADLP Fc1ccccc1CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434831 343735958 /nfs/dbraw/zinc/73/59/58/343735958.db2.gz HSECCNFYJAWUHD-UHFFFAOYSA-N 2 2 245.301 2.150 20 0 BEADLP Fc1ccccc1CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434831 343735959 /nfs/dbraw/zinc/73/59/59/343735959.db2.gz HSECCNFYJAWUHD-UHFFFAOYSA-N 2 2 245.301 2.150 20 0 BEADLP C(=C\c1ccccc1)\C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625437823 343740136 /nfs/dbraw/zinc/74/01/36/343740136.db2.gz JBWYNHMSBUJLAE-DAXSKMNVSA-N 2 2 239.322 2.481 20 0 BEADLP C(=C\c1ccccc1)\C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625437823 343740137 /nfs/dbraw/zinc/74/01/37/343740137.db2.gz JBWYNHMSBUJLAE-DAXSKMNVSA-N 2 2 239.322 2.481 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C1CC1 ZINC000584183392 343770648 /nfs/dbraw/zinc/77/06/48/343770648.db2.gz HKFTVLPKXZIJQP-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC1 ZINC000309115512 346967988 /nfs/dbraw/zinc/96/79/88/346967988.db2.gz LJGZXVWUKJLAAQ-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC1 ZINC000309115512 346967992 /nfs/dbraw/zinc/96/79/92/346967992.db2.gz LJGZXVWUKJLAAQ-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@H]2O)c[nH+]1 ZINC000354318910 187272630 /nfs/dbraw/zinc/27/26/30/187272630.db2.gz MPOUCWKFWRKYMV-HUUCEWRRSA-N 2 2 248.370 2.216 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@H+](C)C1CC1 ZINC000336731053 537832324 /nfs/dbraw/zinc/83/23/24/537832324.db2.gz FBFDOAXJFQZUNI-LERXQTSPSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000336731053 537832330 /nfs/dbraw/zinc/83/23/30/537832330.db2.gz FBFDOAXJFQZUNI-LERXQTSPSA-N 2 2 222.376 2.247 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)no1 ZINC000575625926 347009466 /nfs/dbraw/zinc/00/94/66/347009466.db2.gz ZCTLEYINSRFKMV-LBPRGKRZSA-N 2 2 248.330 2.311 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[N@H+](C)C1CC1 ZINC000336731052 537833056 /nfs/dbraw/zinc/83/30/56/537833056.db2.gz FBFDOAXJFQZUNI-HONMWMINSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000336731052 537833066 /nfs/dbraw/zinc/83/30/66/537833066.db2.gz FBFDOAXJFQZUNI-HONMWMINSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596129 187355263 /nfs/dbraw/zinc/35/52/63/187355263.db2.gz GVTIUMJOVLXYBR-BXUZGUMPSA-N 2 2 218.344 2.262 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070748574 343955265 /nfs/dbraw/zinc/95/52/65/343955265.db2.gz PHDNCYGJXMRPRN-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070748574 343955266 /nfs/dbraw/zinc/95/52/66/343955266.db2.gz PHDNCYGJXMRPRN-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccsc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634734505 344115307 /nfs/dbraw/zinc/11/53/07/344115307.db2.gz HTDSVPYRWZUKQI-YPMHNXCESA-N 2 2 236.384 2.288 20 0 BEADLP CCC1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC000130160097 344218424 /nfs/dbraw/zinc/21/84/24/344218424.db2.gz PAJVWLKGDJQKNB-PNESKVBLSA-N 2 2 212.381 2.495 20 0 BEADLP CC1(C)CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000087771299 344236422 /nfs/dbraw/zinc/23/64/22/344236422.db2.gz AGGLQVPTHVOHAT-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP CCc1cc(NC[C@H](C)C[NH+]2CCCC2)nc[nH+]1 ZINC000062075489 344347801 /nfs/dbraw/zinc/34/78/01/344347801.db2.gz DWHRSZHWELXZOR-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CCCCc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000634808576 344393055 /nfs/dbraw/zinc/39/30/55/344393055.db2.gz WTGABAXTXMSKHE-WCQYABFASA-N 2 2 248.374 2.372 20 0 BEADLP CCCCOCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119619586 344474135 /nfs/dbraw/zinc/47/41/35/344474135.db2.gz RJUNEFVGEDMEBM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CCCCOCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000119619586 344474136 /nfs/dbraw/zinc/47/41/36/344474136.db2.gz RJUNEFVGEDMEBM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000387516559 344573353 /nfs/dbraw/zinc/57/33/53/344573353.db2.gz JIJZPYWLKZDUOD-ZDUSSCGKSA-N 2 2 221.348 2.442 20 0 BEADLP CC[NH+]1CCC(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000110120785 344542541 /nfs/dbraw/zinc/54/25/41/344542541.db2.gz LCKTWPWNRHHWJC-UHFFFAOYSA-N 2 2 248.374 2.496 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000044685037 344544032 /nfs/dbraw/zinc/54/40/32/344544032.db2.gz AUNTWQFMFWBFAG-LBPRGKRZSA-N 2 2 208.349 2.145 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000044685037 344544034 /nfs/dbraw/zinc/54/40/34/344544034.db2.gz AUNTWQFMFWBFAG-LBPRGKRZSA-N 2 2 208.349 2.145 20 0 BEADLP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641405790 362397519 /nfs/dbraw/zinc/39/75/19/362397519.db2.gz IKYGNIUKKWGWER-LLVKDONJSA-N 2 2 237.322 2.141 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]cc2F)C[C@H]1C ZINC000641471059 362438990 /nfs/dbraw/zinc/43/89/90/362438990.db2.gz USXUOMPQHPLUPR-MNOVXSKESA-N 2 2 237.322 2.140 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cc[nH+]cc2F)C[C@H]1C ZINC000641471059 362438993 /nfs/dbraw/zinc/43/89/93/362438993.db2.gz USXUOMPQHPLUPR-MNOVXSKESA-N 2 2 237.322 2.140 20 0 BEADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000641536539 362486616 /nfs/dbraw/zinc/48/66/16/362486616.db2.gz ODNXUBWXFFRXCX-NSHDSACASA-N 2 2 237.322 2.141 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103759 344744487 /nfs/dbraw/zinc/74/44/87/344744487.db2.gz OKQPLJYNBQPLOX-KBPBESRZSA-N 2 2 233.359 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103759 344744490 /nfs/dbraw/zinc/74/44/90/344744490.db2.gz OKQPLJYNBQPLOX-KBPBESRZSA-N 2 2 233.359 2.456 20 0 BEADLP CC[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152794448 344694723 /nfs/dbraw/zinc/69/47/23/344694723.db2.gz CKHLMUHNDIWCQX-NSHDSACASA-N 2 2 221.348 2.150 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000628162496 344863567 /nfs/dbraw/zinc/86/35/67/344863567.db2.gz SLVRDLCUCYDVLG-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000628162496 344863569 /nfs/dbraw/zinc/86/35/69/344863569.db2.gz SLVRDLCUCYDVLG-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC000122154112 187295457 /nfs/dbraw/zinc/29/54/57/187295457.db2.gz ZLWAMMXMDXVTGP-CYBMUJFWSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000122154112 187295459 /nfs/dbraw/zinc/29/54/59/187295459.db2.gz ZLWAMMXMDXVTGP-CYBMUJFWSA-N 2 2 218.344 2.097 20 0 BEADLP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153795984 344975350 /nfs/dbraw/zinc/97/53/50/344975350.db2.gz VHRJZKLJYNECHM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153795984 344975352 /nfs/dbraw/zinc/97/53/52/344975352.db2.gz VHRJZKLJYNECHM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000156579305 345176677 /nfs/dbraw/zinc/17/66/77/345176677.db2.gz OHKIUXBDTYSZII-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000156579305 345176680 /nfs/dbraw/zinc/17/66/80/345176680.db2.gz OHKIUXBDTYSZII-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993475 345190669 /nfs/dbraw/zinc/19/06/69/345190669.db2.gz VZBQWAPBFHCTOJ-SHARSMKWSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993475 345190671 /nfs/dbraw/zinc/19/06/71/345190671.db2.gz VZBQWAPBFHCTOJ-SHARSMKWSA-N 2 2 236.403 2.497 20 0 BEADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccon1)C(C)(C)C ZINC000634962395 345136636 /nfs/dbraw/zinc/13/66/36/345136636.db2.gz SCBSYXJUJAQPGY-GFCCVEGCSA-N 2 2 239.363 2.131 20 0 BEADLP CC(C)([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000634993154 345188990 /nfs/dbraw/zinc/18/89/90/345188990.db2.gz MHVHUCBASZPZNW-UHFFFAOYSA-N 2 2 248.345 2.402 20 0 BEADLP CC[C@H](C)C[N@H+](CC)CC12CC(C1)C[NH2+]2 ZINC000634992972 345188997 /nfs/dbraw/zinc/18/89/97/345188997.db2.gz HWJHVIFPTARDDR-HIFPTAJRSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H](C)C[N@@H+](CC)CC12CC(C1)C[NH2+]2 ZINC000634992972 345188999 /nfs/dbraw/zinc/18/89/99/345188999.db2.gz HWJHVIFPTARDDR-HIFPTAJRSA-N 2 2 210.365 2.106 20 0 BEADLP FC(F)(F)C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994248 345192387 /nfs/dbraw/zinc/19/23/87/345192387.db2.gz WVTDSHZLWABNFU-KPPDAEKUSA-N 2 2 248.292 2.013 20 0 BEADLP FC(F)(F)C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994248 345192392 /nfs/dbraw/zinc/19/23/92/345192392.db2.gz WVTDSHZLWABNFU-KPPDAEKUSA-N 2 2 248.292 2.013 20 0 BEADLP CCC[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994325 345193391 /nfs/dbraw/zinc/19/33/91/345193391.db2.gz ZHLYCCQPNQOUMX-ROKHWSDSSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994325 345193394 /nfs/dbraw/zinc/19/33/94/345193394.db2.gz ZHLYCCQPNQOUMX-ROKHWSDSSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)o1 ZINC000635006438 345210755 /nfs/dbraw/zinc/21/07/55/345210755.db2.gz BNAMEDXYQAJEOW-JTQLQIEISA-N 2 2 231.299 2.246 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])o1 ZINC000635008494 345216025 /nfs/dbraw/zinc/21/60/25/345216025.db2.gz KIBDKTRYQPWGGP-CHWSQXEVSA-N 2 2 222.332 2.338 20 0 BEADLP Cc1scc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000635022999 345222186 /nfs/dbraw/zinc/22/21/86/345222186.db2.gz QUACPLZNOIASHO-TVQRCGJNSA-N 2 2 238.400 2.453 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC2(CC2)CC1 ZINC000626115342 345329813 /nfs/dbraw/zinc/32/98/13/345329813.db2.gz PRCSFAYEZYBXOV-CYBMUJFWSA-N 2 2 222.376 2.347 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCCC2(CC2)CC1 ZINC000626115342 345329816 /nfs/dbraw/zinc/32/98/16/345329816.db2.gz PRCSFAYEZYBXOV-CYBMUJFWSA-N 2 2 222.376 2.347 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCCC2(CC2)CC1 ZINC000626115342 345329819 /nfs/dbraw/zinc/32/98/19/345329819.db2.gz PRCSFAYEZYBXOV-CYBMUJFWSA-N 2 2 222.376 2.347 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCCC2(CC2)CC1 ZINC000626115342 345329822 /nfs/dbraw/zinc/32/98/22/345329822.db2.gz PRCSFAYEZYBXOV-CYBMUJFWSA-N 2 2 222.376 2.347 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)no1 ZINC000080960834 345455653 /nfs/dbraw/zinc/45/56/53/345455653.db2.gz YRZATFSEHAROMZ-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)no1 ZINC000080960834 345455655 /nfs/dbraw/zinc/45/56/55/345455655.db2.gz YRZATFSEHAROMZ-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP COC[C@H]([NH2+]CCc1cc[nH+]cc1C)C(C)C ZINC000090847285 345577684 /nfs/dbraw/zinc/57/76/84/345577684.db2.gz ZNTJWMYCOIFIDH-AWEZNQCLSA-N 2 2 236.359 2.193 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1CCOCC1 ZINC000090846694 345576902 /nfs/dbraw/zinc/57/69/02/345576902.db2.gz LOVNXOIGOOJVJB-CYBMUJFWSA-N 2 2 248.370 2.337 20 0 BEADLP Cn1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072207 345615354 /nfs/dbraw/zinc/61/53/54/345615354.db2.gz OHBGHVFUIOMUMM-ZDUSSCGKSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072207 345615356 /nfs/dbraw/zinc/61/53/56/345615356.db2.gz OHBGHVFUIOMUMM-ZDUSSCGKSA-N 2 2 244.342 2.128 20 0 BEADLP CC1CC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000163741081 345590360 /nfs/dbraw/zinc/59/03/60/345590360.db2.gz RAMVNOYLPZAAOS-HGMXIMQMSA-N 2 2 230.355 2.262 20 0 BEADLP CC[C@H]([NH2+]Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000198719693 345727645 /nfs/dbraw/zinc/72/76/45/345727645.db2.gz SQDHXBGWPSCPRJ-GJZGRUSLSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000163681887 345773210 /nfs/dbraw/zinc/77/32/10/345773210.db2.gz YQZUZWSLMDFHHU-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000163681887 345773216 /nfs/dbraw/zinc/77/32/16/345773216.db2.gz YQZUZWSLMDFHHU-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP Fc1ccc2[nH]c(NCc3[nH]cc[nH+]3)[nH+]c2c1 ZINC000236191966 537912477 /nfs/dbraw/zinc/91/24/77/537912477.db2.gz IMBGBENOMMVTRG-UHFFFAOYSA-N 2 2 231.234 2.037 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000309660561 187310189 /nfs/dbraw/zinc/31/01/89/187310189.db2.gz ASOFYBATEVLTJT-VJTDZRGJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000309660561 187310191 /nfs/dbraw/zinc/31/01/91/187310191.db2.gz ASOFYBATEVLTJT-VJTDZRGJSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000094078459 187360538 /nfs/dbraw/zinc/36/05/38/187360538.db2.gz RMPQGZKALXUFBW-KGLIPLIRSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166878568 345925402 /nfs/dbraw/zinc/92/54/02/345925402.db2.gz LEHTWAWSCUCLHB-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166878568 345925403 /nfs/dbraw/zinc/92/54/03/345925403.db2.gz LEHTWAWSCUCLHB-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166877697 345925270 /nfs/dbraw/zinc/92/52/70/345925270.db2.gz XRUDINQYLIRQCG-RYUDHWBXSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166877697 345925272 /nfs/dbraw/zinc/92/52/72/345925272.db2.gz XRUDINQYLIRQCG-RYUDHWBXSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])C3)ccc2n1 ZINC000097862609 178969710 /nfs/dbraw/zinc/96/97/10/178969710.db2.gz DGJUIPDDFKVQSA-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])C3)ccc2n1 ZINC000097862609 178969711 /nfs/dbraw/zinc/96/97/11/178969711.db2.gz DGJUIPDDFKVQSA-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000449374637 201891182 /nfs/dbraw/zinc/89/11/82/201891182.db2.gz BHCRHVPRIUHSPK-GXTWGEPZSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000449374637 201891186 /nfs/dbraw/zinc/89/11/86/201891186.db2.gz BHCRHVPRIUHSPK-GXTWGEPZSA-N 2 2 222.376 2.417 20 0 BEADLP FC1(C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000381501812 346168766 /nfs/dbraw/zinc/16/87/66/346168766.db2.gz PSFSOEKSAFIIEY-LBPRGKRZSA-N 2 2 226.339 2.095 20 0 BEADLP FC1(C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000381501812 346168768 /nfs/dbraw/zinc/16/87/68/346168768.db2.gz PSFSOEKSAFIIEY-LBPRGKRZSA-N 2 2 226.339 2.095 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC(F)(F)C1 ZINC000628232890 346185886 /nfs/dbraw/zinc/18/58/86/346185886.db2.gz SXMKKRNXGBENJL-SNVBAGLBSA-N 2 2 232.318 2.106 20 0 BEADLP Cc1ncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000628255957 346253426 /nfs/dbraw/zinc/25/34/26/346253426.db2.gz CLUWJMMPZJQHIP-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP CSc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)o1 ZINC000641757474 362686769 /nfs/dbraw/zinc/68/67/69/362686769.db2.gz ZXPQQHXQUKEVRI-SNVBAGLBSA-N 2 2 242.388 2.289 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000336686372 179067464 /nfs/dbraw/zinc/06/74/64/179067464.db2.gz ALYWPJXZCSLSEU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000336686372 179067467 /nfs/dbraw/zinc/06/74/67/179067467.db2.gz ALYWPJXZCSLSEU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000336686372 179067468 /nfs/dbraw/zinc/06/74/68/179067468.db2.gz ALYWPJXZCSLSEU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000336686372 179067470 /nfs/dbraw/zinc/06/74/70/179067470.db2.gz ALYWPJXZCSLSEU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](CC)CC1CC[NH+](CC(F)F)CC1 ZINC000603412222 349960390 /nfs/dbraw/zinc/96/03/90/349960390.db2.gz YVEJJFAVKYAZPY-UHFFFAOYSA-N 2 2 234.334 2.305 20 0 BEADLP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1F ZINC000679225065 488320821 /nfs/dbraw/zinc/32/08/21/488320821.db2.gz WISCUFNWBSWABN-JHJVBQTASA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1F ZINC000679225065 488320825 /nfs/dbraw/zinc/32/08/25/488320825.db2.gz WISCUFNWBSWABN-JHJVBQTASA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1F ZINC000679225065 488320827 /nfs/dbraw/zinc/32/08/27/488320827.db2.gz WISCUFNWBSWABN-JHJVBQTASA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1F ZINC000679225065 488320830 /nfs/dbraw/zinc/32/08/30/488320830.db2.gz WISCUFNWBSWABN-JHJVBQTASA-N 2 2 228.355 2.151 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641799810 362749861 /nfs/dbraw/zinc/74/98/61/362749861.db2.gz ZYLJXXZXRQDIME-DCAQKATOSA-N 2 2 232.318 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641799810 362749867 /nfs/dbraw/zinc/74/98/67/362749867.db2.gz ZYLJXXZXRQDIME-DCAQKATOSA-N 2 2 232.318 2.091 20 0 BEADLP CCc1nc(C)c(C[NH2+][C@](C)(C[NH3+])C(C)C)o1 ZINC000641797834 362738977 /nfs/dbraw/zinc/73/89/77/362738977.db2.gz JLEJGSYUEPXVCF-CYBMUJFWSA-N 2 2 239.363 2.008 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000641797156 362741723 /nfs/dbraw/zinc/74/17/23/362741723.db2.gz WBNPSWSEIXXOMS-ZJUUUORDSA-N 2 2 220.307 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000641797156 362741725 /nfs/dbraw/zinc/74/17/25/362741725.db2.gz WBNPSWSEIXXOMS-ZJUUUORDSA-N 2 2 220.307 2.091 20 0 BEADLP Cc1ccncc1C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805602 362763244 /nfs/dbraw/zinc/76/32/44/362763244.db2.gz OMUGWDPZZWLKRP-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccncc1C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805602 362763251 /nfs/dbraw/zinc/76/32/51/362763251.db2.gz OMUGWDPZZWLKRP-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP CCc1nc(C)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)o1 ZINC000641800534 362751566 /nfs/dbraw/zinc/75/15/66/362751566.db2.gz ZACKHVUNLQNMIH-LLVKDONJSA-N 2 2 239.363 2.008 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2ncc(Cl)s2)C[C@@H]1[NH3+] ZINC000641801427 362755071 /nfs/dbraw/zinc/75/50/71/362755071.db2.gz CDANUWQGBUELDL-NKWVEPMBSA-N 2 2 245.779 2.012 20 0 BEADLP CC1(C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000380037312 365818001 /nfs/dbraw/zinc/81/80/01/365818001.db2.gz SKSNOKDHNYJAMY-UHFFFAOYSA-N 2 2 207.321 2.053 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000580108487 346533806 /nfs/dbraw/zinc/53/38/06/346533806.db2.gz NLETYBDNQISGIN-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000580108487 346533807 /nfs/dbraw/zinc/53/38/07/346533807.db2.gz NLETYBDNQISGIN-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1cc(C[N@@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806403 362763888 /nfs/dbraw/zinc/76/38/88/362763888.db2.gz RQZBKVHLRBCZFM-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cc(C[N@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806403 362763892 /nfs/dbraw/zinc/76/38/92/362763892.db2.gz RQZBKVHLRBCZFM-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000274684752 179123231 /nfs/dbraw/zinc/12/32/31/179123231.db2.gz YDFRUSRVADXGKO-AWEZNQCLSA-N 2 2 245.370 2.455 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178245270 346663692 /nfs/dbraw/zinc/66/36/92/346663692.db2.gz WXODSHQMYZQOQQ-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178245270 346663694 /nfs/dbraw/zinc/66/36/94/346663694.db2.gz WXODSHQMYZQOQQ-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000300414323 346669554 /nfs/dbraw/zinc/66/95/54/346669554.db2.gz JYJIOHQXZGCHST-RVMXOQNASA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000300414323 346669556 /nfs/dbraw/zinc/66/95/56/346669556.db2.gz JYJIOHQXZGCHST-RVMXOQNASA-N 2 2 240.391 2.015 20 0 BEADLP Cc1cccc(NC[C@@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000044563175 179146132 /nfs/dbraw/zinc/14/61/32/179146132.db2.gz AIEPJYFXNVQRPE-LBPRGKRZSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1cccc(OCC[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160088106 179166556 /nfs/dbraw/zinc/16/65/56/179166556.db2.gz MJVXZNXGUOHNDV-OAHLLOKOSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cccc(OCC[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160088106 179166558 /nfs/dbraw/zinc/16/65/58/179166558.db2.gz MJVXZNXGUOHNDV-OAHLLOKOSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1F ZINC000622003996 370654327 /nfs/dbraw/zinc/65/43/27/370654327.db2.gz IPALYFSZIRRHOM-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1F ZINC000622003996 370654333 /nfs/dbraw/zinc/65/43/33/370654333.db2.gz IPALYFSZIRRHOM-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309692381 347134540 /nfs/dbraw/zinc/13/45/40/347134540.db2.gz JWLXFNSRPXZTLL-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309692381 347134543 /nfs/dbraw/zinc/13/45/43/347134543.db2.gz JWLXFNSRPXZTLL-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP CCC(F)(F)C[NH+]1CCC(CC[NH3+])CC1 ZINC000641825515 362775319 /nfs/dbraw/zinc/77/53/19/362775319.db2.gz YNBJPHRTBXZWEZ-UHFFFAOYSA-N 2 2 220.307 2.093 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000310020276 347219307 /nfs/dbraw/zinc/21/93/07/347219307.db2.gz MYDJIIALCHDKRS-GHMZBOCLSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000310020276 347219310 /nfs/dbraw/zinc/21/93/10/347219310.db2.gz MYDJIIALCHDKRS-GHMZBOCLSA-N 2 2 221.348 2.291 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050228061 179195048 /nfs/dbraw/zinc/19/50/48/179195048.db2.gz JLHOQWPJKVWTPB-AAEUAGOBSA-N 2 2 204.317 2.089 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050228061 179195050 /nfs/dbraw/zinc/19/50/50/179195050.db2.gz JLHOQWPJKVWTPB-AAEUAGOBSA-N 2 2 204.317 2.089 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000250370612 362801741 /nfs/dbraw/zinc/80/17/41/362801741.db2.gz VPCWEYBKJOFAEH-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000250370612 362801748 /nfs/dbraw/zinc/80/17/48/362801748.db2.gz VPCWEYBKJOFAEH-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000020226759 347430906 /nfs/dbraw/zinc/43/09/06/347430906.db2.gz JHCWPJAHEDDGDP-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000020226759 347430911 /nfs/dbraw/zinc/43/09/11/347430911.db2.gz JHCWPJAHEDDGDP-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000054111436 347467036 /nfs/dbraw/zinc/46/70/36/347467036.db2.gz LRWYFMFDSCNHLR-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000054111436 347467041 /nfs/dbraw/zinc/46/70/41/347467041.db2.gz LRWYFMFDSCNHLR-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000380104374 365880569 /nfs/dbraw/zinc/88/05/69/365880569.db2.gz MTRSKSSTLQMQDT-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000380104374 365880573 /nfs/dbraw/zinc/88/05/73/365880573.db2.gz MTRSKSSTLQMQDT-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccccc1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358289694 179267278 /nfs/dbraw/zinc/26/72/78/179267278.db2.gz PTJHJAGHWIOQHY-ZFWWWQNUSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccccc1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358289694 179267281 /nfs/dbraw/zinc/26/72/81/179267281.db2.gz PTJHJAGHWIOQHY-ZFWWWQNUSA-N 2 2 232.371 2.077 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054241417 1172095271 /nfs/dbraw/zinc/09/52/71/1172095271.db2.gz YSAUIXNSOODLHC-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054241417 1172095278 /nfs/dbraw/zinc/09/52/78/1172095278.db2.gz YSAUIXNSOODLHC-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309761761 179283946 /nfs/dbraw/zinc/28/39/46/179283946.db2.gz IVBMZGYFHVAFDB-JSGCOSHPSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309761761 179283949 /nfs/dbraw/zinc/28/39/49/179283949.db2.gz IVBMZGYFHVAFDB-JSGCOSHPSA-N 2 2 218.344 2.035 20 0 BEADLP CCCC(CCC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088395 168583884 /nfs/dbraw/zinc/58/38/84/168583884.db2.gz MNLXJBFCKXRMMJ-LLVKDONJSA-N 2 2 200.370 2.495 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000054475664 348029428 /nfs/dbraw/zinc/02/94/28/348029428.db2.gz OPGNCMISEPXAGD-AAEUAGOBSA-N 2 2 206.333 2.322 20 0 BEADLP Cc1cccn2c(C[NH2+]C3CCC3)c[nH+]c12 ZINC000335695879 179353869 /nfs/dbraw/zinc/35/38/69/179353869.db2.gz XJRULXQIDWCKCM-UHFFFAOYSA-N 2 2 215.300 2.285 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CSCCF ZINC000595005650 348157612 /nfs/dbraw/zinc/15/76/12/348157612.db2.gz CHHMUYNBEZAFQN-NSHDSACASA-N 2 2 236.400 2.009 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648450444 490155246 /nfs/dbraw/zinc/15/52/46/490155246.db2.gz MDEXZUFGKFFQOJ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648450444 490155250 /nfs/dbraw/zinc/15/52/50/490155250.db2.gz MDEXZUFGKFFQOJ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CCCO ZINC000290208414 179478236 /nfs/dbraw/zinc/47/82/36/179478236.db2.gz DPZQERQEIRRDKH-ZDUSSCGKSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCOC1 ZINC000289172040 179478878 /nfs/dbraw/zinc/47/88/78/179478878.db2.gz FHUCQNSVWVVHMX-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP C[C@H]1CC([NH2+]CCn2cc[nH+]c2)C[C@H](C)C1 ZINC000082849862 348843099 /nfs/dbraw/zinc/84/30/99/348843099.db2.gz OHLRYOKTRJBBFG-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668538592 538017200 /nfs/dbraw/zinc/01/72/00/538017200.db2.gz DUMZKQTVMDJCSJ-HOTGVXAUSA-N 2 2 244.382 2.284 20 0 BEADLP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668538592 538017205 /nfs/dbraw/zinc/01/72/05/538017205.db2.gz DUMZKQTVMDJCSJ-HOTGVXAUSA-N 2 2 244.382 2.284 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC000421824924 192386498 /nfs/dbraw/zinc/38/64/98/192386498.db2.gz KXXXZNSMAOYVRR-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000421824924 192386501 /nfs/dbraw/zinc/38/65/01/192386501.db2.gz KXXXZNSMAOYVRR-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000250176396 349167355 /nfs/dbraw/zinc/16/73/55/349167355.db2.gz OPWCHYHNSMBMQO-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000250176396 349167360 /nfs/dbraw/zinc/16/73/60/349167360.db2.gz OPWCHYHNSMBMQO-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000336675244 538045317 /nfs/dbraw/zinc/04/53/17/538045317.db2.gz PJGCEAWSSXDQGY-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1nccs1 ZINC000070733417 350053909 /nfs/dbraw/zinc/05/39/09/350053909.db2.gz VYYBQYBVHQAPQX-SNVBAGLBSA-N 2 2 227.377 2.182 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@H]2CCC[C@H]21 ZINC000382333284 350109601 /nfs/dbraw/zinc/10/96/01/350109601.db2.gz XEUGTHICVOZFJU-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@H]2CCC[C@H]21 ZINC000382333284 350109605 /nfs/dbraw/zinc/10/96/05/350109605.db2.gz XEUGTHICVOZFJU-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cncs1 ZINC000131924356 191018432 /nfs/dbraw/zinc/01/84/32/191018432.db2.gz AZHQLEJGACRNMY-JTQLQIEISA-N 2 2 236.344 2.081 20 0 BEADLP Cc1nc(NC[C@H](C)[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000272817664 180071026 /nfs/dbraw/zinc/07/10/26/180071026.db2.gz DSCRBAQJQCCFJB-JTQLQIEISA-N 2 2 248.374 2.026 20 0 BEADLP Cc1ncc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000049538889 180152357 /nfs/dbraw/zinc/15/23/57/180152357.db2.gz OUTZFDOZPLUQQH-CYBMUJFWSA-N 2 2 247.367 2.241 20 0 BEADLP Cc1nc(NCC2(C[NH+](C)C)CCCC2)cc[nH+]1 ZINC000184069225 180197412 /nfs/dbraw/zinc/19/74/12/180197412.db2.gz XOFVSCBGICZMPK-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC000252101788 538072658 /nfs/dbraw/zinc/07/26/58/538072658.db2.gz ILPMNIHYDYQXDZ-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC000252101788 538072666 /nfs/dbraw/zinc/07/26/66/538072666.db2.gz ILPMNIHYDYQXDZ-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)CCS1 ZINC000222156144 350231347 /nfs/dbraw/zinc/23/13/47/350231347.db2.gz UCLVNBSPYMTYRA-NWDGAFQWSA-N 2 2 230.421 2.187 20 0 BEADLP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)CCS1 ZINC000222156144 350231351 /nfs/dbraw/zinc/23/13/51/350231351.db2.gz UCLVNBSPYMTYRA-NWDGAFQWSA-N 2 2 230.421 2.187 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@H]2C)C[NH2+]1 ZINC000252150691 538079678 /nfs/dbraw/zinc/07/96/78/538079678.db2.gz MLNYXWZTLWUOFA-LPWJVIDDSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C)[C@H]2C)C[NH2+]1 ZINC000252150691 538079679 /nfs/dbraw/zinc/07/96/79/538079679.db2.gz MLNYXWZTLWUOFA-LPWJVIDDSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C[C@@H](C)C1 ZINC000252145546 538079685 /nfs/dbraw/zinc/07/96/85/538079685.db2.gz NVVXFAOZYWBBFG-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000252145546 538079687 /nfs/dbraw/zinc/07/96/87/538079687.db2.gz NVVXFAOZYWBBFG-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377580705 180251254 /nfs/dbraw/zinc/25/12/54/180251254.db2.gz DCRPHVBYIMQPFM-CQSZACIVSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000377580705 180251255 /nfs/dbraw/zinc/25/12/55/180251255.db2.gz DCRPHVBYIMQPFM-CQSZACIVSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000271477308 180251426 /nfs/dbraw/zinc/25/14/26/180251426.db2.gz GQOAIQNCRXTEKQ-GFCCVEGCSA-N 2 2 244.342 2.280 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1cccnc1 ZINC000271477308 180251427 /nfs/dbraw/zinc/25/14/27/180251427.db2.gz GQOAIQNCRXTEKQ-GFCCVEGCSA-N 2 2 244.342 2.280 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000336705928 180252469 /nfs/dbraw/zinc/25/24/69/180252469.db2.gz ODITZBFPEYCBCI-AWEZNQCLSA-N 2 2 233.359 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C1CCC1 ZINC000336705928 180252470 /nfs/dbraw/zinc/25/24/70/180252470.db2.gz ODITZBFPEYCBCI-AWEZNQCLSA-N 2 2 233.359 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000336706995 180252497 /nfs/dbraw/zinc/25/24/97/180252497.db2.gz KFLMRUVRZHLTHC-CQSZACIVSA-N 2 2 244.342 2.357 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000336706995 180252501 /nfs/dbraw/zinc/25/25/01/180252501.db2.gz KFLMRUVRZHLTHC-CQSZACIVSA-N 2 2 244.342 2.357 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309089954 323315302 /nfs/dbraw/zinc/31/53/02/323315302.db2.gz ATGAJMMMSAHVIY-LLVKDONJSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309089954 323315304 /nfs/dbraw/zinc/31/53/04/323315304.db2.gz ATGAJMMMSAHVIY-LLVKDONJSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339677865 180254295 /nfs/dbraw/zinc/25/42/95/180254295.db2.gz DKBJYKSUQUJURM-CQSZACIVSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339677865 180254298 /nfs/dbraw/zinc/25/42/98/180254298.db2.gz DKBJYKSUQUJURM-CQSZACIVSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]cn(CCCn2cc[nH+]c2C)c1C ZINC000270680562 180287098 /nfs/dbraw/zinc/28/70/98/180287098.db2.gz UNMCKVZMVVFZPP-UHFFFAOYSA-N 2 2 218.304 2.095 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336710584 350462729 /nfs/dbraw/zinc/46/27/29/350462729.db2.gz ZSTMPOUIXIIPOZ-CYBMUJFWSA-N 2 2 221.348 2.456 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000336710584 350462733 /nfs/dbraw/zinc/46/27/33/350462733.db2.gz ZSTMPOUIXIIPOZ-CYBMUJFWSA-N 2 2 221.348 2.456 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[NH+](C)C ZINC000227871510 350517022 /nfs/dbraw/zinc/51/70/22/350517022.db2.gz AKUZKVMUHNULSH-MRVWCRGKSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)C(C)C ZINC000163399200 350517978 /nfs/dbraw/zinc/51/79/78/350517978.db2.gz HZGMNTUWXQUORK-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)C(C)C ZINC000163399200 350517982 /nfs/dbraw/zinc/51/79/82/350517982.db2.gz HZGMNTUWXQUORK-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)[C@@H]1C ZINC000070233836 350518089 /nfs/dbraw/zinc/51/80/89/350518089.db2.gz OGAHWHAYQTXYKC-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH+](CC1CC1)CC1CC1 ZINC000070064389 350500383 /nfs/dbraw/zinc/50/03/83/350500383.db2.gz XGORUMPRJYYAQW-AWEZNQCLSA-N 2 2 224.392 2.482 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000070558444 350534445 /nfs/dbraw/zinc/53/44/45/350534445.db2.gz SSSRXQCLYLZVRW-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CCCC[C@@H](C)[C@H](C)[NH2+]CC[NH+](C)C ZINC000336645834 350557265 /nfs/dbraw/zinc/55/72/65/350557265.db2.gz CCYMWGOOZUMNOG-NEPJUHHUSA-N 2 2 200.370 2.352 20 0 BEADLP CCC(CC)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000577530999 365981019 /nfs/dbraw/zinc/98/10/19/365981019.db2.gz QQMDWYBBTNTXJH-UHFFFAOYSA-N 2 2 209.337 2.254 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]CC(C)(C)C(F)(F)F ZINC000309509473 350685716 /nfs/dbraw/zinc/68/57/16/350685716.db2.gz ORGAXGXILSCJBE-UHFFFAOYSA-N 2 2 235.253 2.098 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC000238855703 350775342 /nfs/dbraw/zinc/77/53/42/350775342.db2.gz SSHNDDOPBFBFMU-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC000238855703 350775346 /nfs/dbraw/zinc/77/53/46/350775346.db2.gz SSHNDDOPBFBFMU-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000248535655 350862090 /nfs/dbraw/zinc/86/20/90/350862090.db2.gz YOAGPLXSRPVHPL-OCCSQVGLSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000248535655 350862092 /nfs/dbraw/zinc/86/20/92/350862092.db2.gz YOAGPLXSRPVHPL-OCCSQVGLSA-N 2 2 233.359 2.217 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309590358 191127684 /nfs/dbraw/zinc/12/76/84/191127684.db2.gz YWJGUBWDANRKBD-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000397838864 350982509 /nfs/dbraw/zinc/98/25/09/350982509.db2.gz PPAJBHNCFZZBKC-AAEUAGOBSA-N 2 2 236.384 2.416 20 0 BEADLP CCc1nc(N[C@H]2CC[N@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000283786081 351069570 /nfs/dbraw/zinc/06/95/70/351069570.db2.gz RESOXVJTFCSILV-LBPRGKRZSA-N 2 2 248.374 2.242 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631643211 351383125 /nfs/dbraw/zinc/38/31/25/351383125.db2.gz ZAPAFYVIBMTCNI-DOMZBBRYSA-N 2 2 245.370 2.143 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631643211 351383129 /nfs/dbraw/zinc/38/31/29/351383129.db2.gz ZAPAFYVIBMTCNI-DOMZBBRYSA-N 2 2 245.370 2.143 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336727863 351546815 /nfs/dbraw/zinc/54/68/15/351546815.db2.gz GXIBLKKTYONVOZ-CRWXNKLISA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336727863 351546817 /nfs/dbraw/zinc/54/68/17/351546817.db2.gz GXIBLKKTYONVOZ-CRWXNKLISA-N 2 2 224.392 2.495 20 0 BEADLP CCc1cc(N[C@H](C)C[NH+](CC)CC)nc[nH+]1 ZINC000041676926 351558492 /nfs/dbraw/zinc/55/84/92/351558492.db2.gz DJEHMNGQBNPWDA-LLVKDONJSA-N 2 2 236.363 2.181 20 0 BEADLP CCC[NH+]1CCC(Nc2nc(C)[nH+]cc2C)CC1 ZINC000577650341 366033037 /nfs/dbraw/zinc/03/30/37/366033037.db2.gz NSGHHOQHPQLHBL-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](F)C2)n1C ZINC000577769355 366059685 /nfs/dbraw/zinc/05/96/85/366059685.db2.gz IQYMICRCESZWQG-WDEREUQCSA-N 2 2 225.311 2.099 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccns2)CC[N@@H+]1C ZINC000638118485 351993162 /nfs/dbraw/zinc/99/31/62/351993162.db2.gz ZPWBWVJNDINXOK-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccns2)CC[N@H+]1C ZINC000638118485 351993165 /nfs/dbraw/zinc/99/31/65/351993165.db2.gz ZPWBWVJNDINXOK-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118485 351993167 /nfs/dbraw/zinc/99/31/67/351993167.db2.gz ZPWBWVJNDINXOK-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccns2)CC[NH+]1C ZINC000638118485 351993170 /nfs/dbraw/zinc/99/31/70/351993170.db2.gz ZPWBWVJNDINXOK-WDEREUQCSA-N 2 2 239.388 2.058 20 0 BEADLP Cc1ccc(CC[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000638285756 352120459 /nfs/dbraw/zinc/12/04/59/352120459.db2.gz KRUGKIWDQNJSMB-UHFFFAOYSA-N 2 2 243.354 2.414 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]CC1CCSCC1 ZINC000638291822 352127913 /nfs/dbraw/zinc/12/79/13/352127913.db2.gz RUQHIKRNRJGLRY-UHFFFAOYSA-N 2 2 230.421 2.059 20 0 BEADLP CC(C)C[C@@H](C[NH2+]CCC[C@H]1CCO1)[NH+](C)C ZINC000638348912 352165379 /nfs/dbraw/zinc/16/53/79/352165379.db2.gz DIGPGUZKZZQYCZ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)[NH+]1CCCC1 ZINC000638354883 352169070 /nfs/dbraw/zinc/16/90/70/352169070.db2.gz XDVWVTDECNMPOC-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638363508 352173694 /nfs/dbraw/zinc/17/36/94/352173694.db2.gz NOCVAHOGJBGYQX-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CCC[C@H]1CCO1 ZINC000638363508 352173698 /nfs/dbraw/zinc/17/36/98/352173698.db2.gz NOCVAHOGJBGYQX-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1CC1(F)F ZINC000638364209 352177171 /nfs/dbraw/zinc/17/71/71/352177171.db2.gz XLMHURLVQKBELY-NWDGAFQWSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000037157804 358469025 /nfs/dbraw/zinc/46/90/25/358469025.db2.gz OIPISVNFWPDSNP-NWDGAFQWSA-N 2 2 230.315 2.017 20 0 BEADLP COc1cccc(C)c1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000638409743 352216483 /nfs/dbraw/zinc/21/64/83/352216483.db2.gz RECNICSHKRNUAA-CYBMUJFWSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cccc(C)c1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000638409743 352216487 /nfs/dbraw/zinc/21/64/87/352216487.db2.gz RECNICSHKRNUAA-CYBMUJFWSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@]23C[C@H]2CCCC3)n1C ZINC000630072951 363155587 /nfs/dbraw/zinc/15/55/87/363155587.db2.gz NYGXPVJKYDEPDE-DGCLKSJQSA-N 2 2 219.332 2.151 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@]23C[C@@H]2CCCC3)n1C ZINC000630072950 363156139 /nfs/dbraw/zinc/15/61/39/363156139.db2.gz NYGXPVJKYDEPDE-AAEUAGOBSA-N 2 2 219.332 2.151 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000638443449 352253155 /nfs/dbraw/zinc/25/31/55/352253155.db2.gz NSAJIHAKKABGGD-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000638443449 352253159 /nfs/dbraw/zinc/25/31/59/352253159.db2.gz NSAJIHAKKABGGD-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638586037 352415874 /nfs/dbraw/zinc/41/58/74/352415874.db2.gz NNLYUIGDUWZXTF-BTTYYORXSA-N 2 2 224.392 2.354 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638586037 352415875 /nfs/dbraw/zinc/41/58/75/352415875.db2.gz NNLYUIGDUWZXTF-BTTYYORXSA-N 2 2 224.392 2.354 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@](C)(CC)OC ZINC000638604692 352439850 /nfs/dbraw/zinc/43/98/50/352439850.db2.gz LTJZRHHKAWZZAZ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@](C)(CC)OC ZINC000638604692 352439853 /nfs/dbraw/zinc/43/98/53/352439853.db2.gz LTJZRHHKAWZZAZ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@H+](C)C1CC1 ZINC000638575152 352402189 /nfs/dbraw/zinc/40/21/89/352402189.db2.gz LSSOVKMJLRRTOK-WCABBAIRSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[N@@H+](C)C1CC1 ZINC000638575152 352402191 /nfs/dbraw/zinc/40/21/91/352402191.db2.gz LSSOVKMJLRRTOK-WCABBAIRSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@H+](C)C1CC1 ZINC000638575151 352402399 /nfs/dbraw/zinc/40/23/99/352402399.db2.gz LSSOVKMJLRRTOK-QXEWZRGKSA-N 2 2 232.318 2.102 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[N@@H+](C)C1CC1 ZINC000638575151 352402402 /nfs/dbraw/zinc/40/24/02/352402402.db2.gz LSSOVKMJLRRTOK-QXEWZRGKSA-N 2 2 232.318 2.102 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638604928 352440949 /nfs/dbraw/zinc/44/09/49/352440949.db2.gz IERIETVTSSXUAQ-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638604928 352440954 /nfs/dbraw/zinc/44/09/54/352440954.db2.gz IERIETVTSSXUAQ-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)o2)[C@H](C)C1 ZINC000607957030 352468202 /nfs/dbraw/zinc/46/82/02/352468202.db2.gz RLGDZZRZJQZXHM-BXUZGUMPSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)o2)[C@H](C)C1 ZINC000607957030 352468206 /nfs/dbraw/zinc/46/82/06/352468206.db2.gz RLGDZZRZJQZXHM-BXUZGUMPSA-N 2 2 236.359 2.408 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000041029928 352601235 /nfs/dbraw/zinc/60/12/35/352601235.db2.gz MRBWYFCVIJUUJO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000041029928 352601238 /nfs/dbraw/zinc/60/12/38/352601238.db2.gz MRBWYFCVIJUUJO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000043326296 352636553 /nfs/dbraw/zinc/63/65/53/352636553.db2.gz JOBVIBDQYCYWKH-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511967 352638123 /nfs/dbraw/zinc/63/81/23/352638123.db2.gz ILWSNGMLDHXAEJ-UHFFFAOYSA-N 2 2 232.249 2.096 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511967 352638128 /nfs/dbraw/zinc/63/81/28/352638128.db2.gz ILWSNGMLDHXAEJ-UHFFFAOYSA-N 2 2 232.249 2.096 20 0 BEADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]cc1Cl ZINC000334237191 352855473 /nfs/dbraw/zinc/85/54/73/352855473.db2.gz LVCFBGYLRHATNQ-UWVGGRQHSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]cc1Cl ZINC000334237191 352855475 /nfs/dbraw/zinc/85/54/75/352855475.db2.gz LVCFBGYLRHATNQ-UWVGGRQHSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332578 352969930 /nfs/dbraw/zinc/96/99/30/352969930.db2.gz QWSQHGPUIAQFCR-RNCFNFMXSA-N 2 2 240.297 2.005 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332578 352969932 /nfs/dbraw/zinc/96/99/32/352969932.db2.gz QWSQHGPUIAQFCR-RNCFNFMXSA-N 2 2 240.297 2.005 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000638873353 353043850 /nfs/dbraw/zinc/04/38/50/353043850.db2.gz HRJONPRTFKZKFR-CYBMUJFWSA-N 2 2 224.392 2.354 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000638873353 353043851 /nfs/dbraw/zinc/04/38/51/353043851.db2.gz HRJONPRTFKZKFR-CYBMUJFWSA-N 2 2 224.392 2.354 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000309978715 188000448 /nfs/dbraw/zinc/00/04/48/188000448.db2.gz VCJJUOPJEOBHRY-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000309978715 188000450 /nfs/dbraw/zinc/00/04/50/188000450.db2.gz VCJJUOPJEOBHRY-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)C1(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000638918302 353082548 /nfs/dbraw/zinc/08/25/48/353082548.db2.gz PJRMRJXHKCWFDJ-KBPBESRZSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CC1 ZINC000638918302 353082550 /nfs/dbraw/zinc/08/25/50/353082550.db2.gz PJRMRJXHKCWFDJ-KBPBESRZSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000638918302 353082551 /nfs/dbraw/zinc/08/25/51/353082551.db2.gz PJRMRJXHKCWFDJ-KBPBESRZSA-N 2 2 236.403 2.449 20 0 BEADLP CC(C)C1(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000638918302 353082553 /nfs/dbraw/zinc/08/25/53/353082553.db2.gz PJRMRJXHKCWFDJ-KBPBESRZSA-N 2 2 236.403 2.449 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000021959418 188008919 /nfs/dbraw/zinc/00/89/19/188008919.db2.gz DZQGIWMKAQURHF-LBPRGKRZSA-N 2 2 206.333 2.207 20 0 BEADLP C(=C/c1ccccc1)\C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219797221 188009086 /nfs/dbraw/zinc/00/90/86/188009086.db2.gz FCMLUELFEPYRJR-AUPUMLSVSA-N 2 2 242.366 2.384 20 0 BEADLP C(=C/c1ccccc1)\C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219797221 188009088 /nfs/dbraw/zinc/00/90/88/188009088.db2.gz FCMLUELFEPYRJR-AUPUMLSVSA-N 2 2 242.366 2.384 20 0 BEADLP CC(C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365663338 188014335 /nfs/dbraw/zinc/01/43/35/188014335.db2.gz MUDDGWOSLYNPBN-LLVKDONJSA-N 2 2 207.321 2.008 20 0 BEADLP CC(C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365663338 188014336 /nfs/dbraw/zinc/01/43/36/188014336.db2.gz MUDDGWOSLYNPBN-LLVKDONJSA-N 2 2 207.321 2.008 20 0 BEADLP Cc1nc(N(C)C2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000266134384 188022370 /nfs/dbraw/zinc/02/23/70/188022370.db2.gz OXVZSJFBBUVPLE-UHFFFAOYSA-N 2 2 248.374 2.094 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000054111330 188047209 /nfs/dbraw/zinc/04/72/09/188047209.db2.gz OUEDCJMRHUAFHM-INIZCTEOSA-N 2 2 246.398 2.474 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000054111330 188047210 /nfs/dbraw/zinc/04/72/10/188047210.db2.gz OUEDCJMRHUAFHM-INIZCTEOSA-N 2 2 246.398 2.474 20 0 BEADLP CC(C)c1ncc(C[NH+]2CCC([NH3+])CC2)s1 ZINC000336569979 188058324 /nfs/dbraw/zinc/05/83/24/188058324.db2.gz ADKAZGDWARQWQY-UHFFFAOYSA-N 2 2 239.388 2.190 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000336759026 353168649 /nfs/dbraw/zinc/16/86/49/353168649.db2.gz ZTRAWZBEQMKGSR-SNVBAGLBSA-N 2 2 234.334 2.352 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000336759025 353168654 /nfs/dbraw/zinc/16/86/54/353168654.db2.gz ZTRAWZBEQMKGSR-JTQLQIEISA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000328238897 353245209 /nfs/dbraw/zinc/24/52/09/353245209.db2.gz HROVKUAWJDJPKF-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000328238897 353245211 /nfs/dbraw/zinc/24/52/11/353245211.db2.gz HROVKUAWJDJPKF-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000328238900 353246779 /nfs/dbraw/zinc/24/67/79/353246779.db2.gz HROVKUAWJDJPKF-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000328238900 353246780 /nfs/dbraw/zinc/24/67/80/353246780.db2.gz HROVKUAWJDJPKF-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1ccc(CCC[NH2+]CCOCC2CC2)c[nH+]1 ZINC000354332767 188235312 /nfs/dbraw/zinc/23/53/12/188235312.db2.gz VVLZZMXGEWMDDA-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)c2cn[nH]c2)c[nH+]1 ZINC000354553868 188235703 /nfs/dbraw/zinc/23/57/03/188235703.db2.gz WLVYWLFLBQPINW-LBPRGKRZSA-N 2 2 244.342 2.397 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@](C)(O)C2CC2)c[nH+]1 ZINC000354346280 188235882 /nfs/dbraw/zinc/23/58/82/188235882.db2.gz GVUMEVYFLCOUDQ-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@]2(C)CCCO2)c[nH+]1 ZINC000354498932 188235953 /nfs/dbraw/zinc/23/59/53/188235953.db2.gz KACZHTVYQYIDOP-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@@H]2CCOC2)c[nH+]1 ZINC000354652442 188236919 /nfs/dbraw/zinc/23/69/19/188236919.db2.gz QWJFEAKZBZRVMW-OAHLLOKOSA-N 2 2 248.370 2.339 20 0 BEADLP C(C[N@@H+]1CC[C@H](C2CC2)C1)[NH+]1CC[C@H](C2CC2)C1 ZINC000372341259 188249782 /nfs/dbraw/zinc/24/97/82/188249782.db2.gz ZVYHPUNOKAHNKA-HOTGVXAUSA-N 2 2 248.414 2.450 20 0 BEADLP C(C[N@H+]1CC[C@H](C2CC2)C1)[NH+]1CC[C@H](C2CC2)C1 ZINC000372341259 188249783 /nfs/dbraw/zinc/24/97/83/188249783.db2.gz ZVYHPUNOKAHNKA-HOTGVXAUSA-N 2 2 248.414 2.450 20 0 BEADLP C1=CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044685260 188258325 /nfs/dbraw/zinc/25/83/25/188258325.db2.gz AKXNTNSTZZZTIM-STQMWFEESA-N 2 2 220.360 2.169 20 0 BEADLP C1=CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044685260 188258327 /nfs/dbraw/zinc/25/83/27/188258327.db2.gz AKXNTNSTZZZTIM-STQMWFEESA-N 2 2 220.360 2.169 20 0 BEADLP CSc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712611 188282194 /nfs/dbraw/zinc/28/21/94/188282194.db2.gz XSKGXAONORKXAR-SECBINFHSA-N 2 2 210.346 2.018 20 0 BEADLP Cc1cccc(C[NH2+]CCC[NH+](C)C)c1F ZINC000083353580 188315787 /nfs/dbraw/zinc/31/57/87/188315787.db2.gz BKZCPNLCWNJGFK-UHFFFAOYSA-N 2 2 224.323 2.175 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CSC[C@H]1C)[NH+](C)C ZINC000304501837 188324955 /nfs/dbraw/zinc/32/49/55/188324955.db2.gz NHQGNHNRWSLNMZ-UPJWGTAASA-N 2 2 244.448 2.304 20 0 BEADLP CC(C)[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119886588 188327390 /nfs/dbraw/zinc/32/73/90/188327390.db2.gz QZTVPZHPABLANL-MCIONIFRSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccc(F)c(C[NH2+]CCC[NH+](C)C)c1 ZINC000157209235 188333871 /nfs/dbraw/zinc/33/38/71/188333871.db2.gz PPNZKFCSLBGVMG-UHFFFAOYSA-N 2 2 224.323 2.175 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH+](C)C)CS1 ZINC000336763517 188351120 /nfs/dbraw/zinc/35/11/20/188351120.db2.gz PGSJUWBQXJDIKG-SRVKXCTJSA-N 2 2 230.421 2.056 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC1(F)F ZINC000639085218 353423439 /nfs/dbraw/zinc/42/34/39/353423439.db2.gz DFFNADOPBRFBEU-UWVGGRQHSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC1(F)F ZINC000639085220 353423460 /nfs/dbraw/zinc/42/34/60/353423460.db2.gz DFFNADOPBRFBEU-ZJUUUORDSA-N 2 2 232.318 2.104 20 0 BEADLP c1coc(C2=CCC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000285251882 188385239 /nfs/dbraw/zinc/38/52/39/188385239.db2.gz HFNHDXAZVPGFJV-UHFFFAOYSA-N 2 2 243.310 2.265 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000515830318 324115812 /nfs/dbraw/zinc/11/58/12/324115812.db2.gz XJOWEOKVGSXGFO-WOPDTQHZSA-N 2 2 236.359 2.390 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccsc2C1 ZINC000298411656 188395630 /nfs/dbraw/zinc/39/56/30/188395630.db2.gz MDGZRFWNZUJSIY-UHFFFAOYSA-N 2 2 247.367 2.082 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccsc2C1 ZINC000298411656 188395632 /nfs/dbraw/zinc/39/56/32/188395632.db2.gz MDGZRFWNZUJSIY-UHFFFAOYSA-N 2 2 247.367 2.082 20 0 BEADLP CC[C@@]1(C)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343316406 353654596 /nfs/dbraw/zinc/65/45/96/353654596.db2.gz BEGHDAYAKFBTTB-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343316406 353654598 /nfs/dbraw/zinc/65/45/98/353654598.db2.gz BEGHDAYAKFBTTB-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000343557464 353921110 /nfs/dbraw/zinc/92/11/10/353921110.db2.gz CFJMITOWHJPPKU-IUODEOHRSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000343557464 353921113 /nfs/dbraw/zinc/92/11/13/353921113.db2.gz CFJMITOWHJPPKU-IUODEOHRSA-N 2 2 248.370 2.125 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639165977 354002622 /nfs/dbraw/zinc/00/26/22/354002622.db2.gz VHDVOHGJKDLVNL-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639165977 354002624 /nfs/dbraw/zinc/00/26/24/354002624.db2.gz VHDVOHGJKDLVNL-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000230394211 363306343 /nfs/dbraw/zinc/30/63/43/363306343.db2.gz LVHWUHQRUHRZEM-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000230394211 363306350 /nfs/dbraw/zinc/30/63/50/363306350.db2.gz LVHWUHQRUHRZEM-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC000639171359 354135536 /nfs/dbraw/zinc/13/55/36/354135536.db2.gz AXTNZXOYUUEFBV-MCIONIFRSA-N 2 2 234.387 2.203 20 0 BEADLP C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[NH+]2CCC1CC2 ZINC000639171359 354135538 /nfs/dbraw/zinc/13/55/38/354135538.db2.gz AXTNZXOYUUEFBV-MCIONIFRSA-N 2 2 234.387 2.203 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(C)C1 ZINC000231787452 363352727 /nfs/dbraw/zinc/35/27/27/363352727.db2.gz AZEFZLLQGIRPCY-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(C)C1 ZINC000231788055 363353996 /nfs/dbraw/zinc/35/39/96/363353996.db2.gz DMZYUHYLIKVDDX-BPCQOVAHSA-N 2 2 212.381 2.351 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344339581 354236029 /nfs/dbraw/zinc/23/60/29/354236029.db2.gz YIGSZGPYRZCVHA-DOMZBBRYSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344339581 354236033 /nfs/dbraw/zinc/23/60/33/354236033.db2.gz YIGSZGPYRZCVHA-DOMZBBRYSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344339584 354236438 /nfs/dbraw/zinc/23/64/38/354236438.db2.gz YIGSZGPYRZCVHA-WFASDCNBSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344339584 354236439 /nfs/dbraw/zinc/23/64/39/354236439.db2.gz YIGSZGPYRZCVHA-WFASDCNBSA-N 2 2 248.370 2.268 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000344348917 354239589 /nfs/dbraw/zinc/23/95/89/354239589.db2.gz IHRAUPPFTSBHPP-FQKPHLNHSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000344348917 354239590 /nfs/dbraw/zinc/23/95/90/354239590.db2.gz IHRAUPPFTSBHPP-FQKPHLNHSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]cn1C ZINC000334616191 354303196 /nfs/dbraw/zinc/30/31/96/354303196.db2.gz PQKBJOUGZOCLRR-QMTHXVAHSA-N 2 2 243.310 2.032 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CC3(CCC3)C1)C2 ZINC000334646625 354436627 /nfs/dbraw/zinc/43/66/27/354436627.db2.gz MAFQIHLLTXXUEK-JTQLQIEISA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC000334646625 354436630 /nfs/dbraw/zinc/43/66/30/354436630.db2.gz MAFQIHLLTXXUEK-JTQLQIEISA-N 2 2 231.343 2.189 20 0 BEADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000334700057 354493010 /nfs/dbraw/zinc/49/30/10/354493010.db2.gz ZKILXUVQUFDVTJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000334700057 354493011 /nfs/dbraw/zinc/49/30/11/354493011.db2.gz ZKILXUVQUFDVTJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000334700057 354493012 /nfs/dbraw/zinc/49/30/12/354493012.db2.gz ZKILXUVQUFDVTJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000334700057 354493013 /nfs/dbraw/zinc/49/30/13/354493013.db2.gz ZKILXUVQUFDVTJ-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232537423 363375783 /nfs/dbraw/zinc/37/57/83/363375783.db2.gz ZXPUMWZJWLOYPD-BPCQOVAHSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232537423 363375788 /nfs/dbraw/zinc/37/57/88/363375788.db2.gz ZXPUMWZJWLOYPD-BPCQOVAHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000235463849 363445616 /nfs/dbraw/zinc/44/56/16/363445616.db2.gz OJXIKAGQLQROLJ-KOLCDFICSA-N 2 2 222.357 2.160 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1cccc(F)c1 ZINC000335173988 354940470 /nfs/dbraw/zinc/94/04/70/354940470.db2.gz IYUSNBJUPMDDHO-LSDHHAIUSA-N 2 2 248.345 2.352 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1cccc(F)c1 ZINC000335173988 354940471 /nfs/dbraw/zinc/94/04/71/354940471.db2.gz IYUSNBJUPMDDHO-LSDHHAIUSA-N 2 2 248.345 2.352 20 0 BEADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000346567858 354971339 /nfs/dbraw/zinc/97/13/39/354971339.db2.gz VLIIRNSVAHALMX-QWHCGFSZSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@H]1CC(C)(C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000335191654 355024499 /nfs/dbraw/zinc/02/44/99/355024499.db2.gz RLLBLTAZLIPIFC-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC(C)(C)C[N@H+]1CCn1cc[nH+]c1 ZINC000335191654 355024502 /nfs/dbraw/zinc/02/45/02/355024502.db2.gz RLLBLTAZLIPIFC-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000346776142 355114027 /nfs/dbraw/zinc/11/40/27/355114027.db2.gz HZQNIDKLFABPRT-UHFFFAOYSA-N 2 2 246.358 2.071 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346785478 355115883 /nfs/dbraw/zinc/11/58/83/355115883.db2.gz CWIFZRSTOSJYRT-BFHYXJOUSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346785478 355115885 /nfs/dbraw/zinc/11/58/85/355115885.db2.gz CWIFZRSTOSJYRT-BFHYXJOUSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000347017869 355206856 /nfs/dbraw/zinc/20/68/56/355206856.db2.gz KRRZNSFVNZWVPZ-DLRQAJBASA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000347017869 355206861 /nfs/dbraw/zinc/20/68/61/355206861.db2.gz KRRZNSFVNZWVPZ-DLRQAJBASA-N 2 2 222.307 2.118 20 0 BEADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)CC(C)(C)[NH3+] ZINC000346971212 355207550 /nfs/dbraw/zinc/20/75/50/355207550.db2.gz KYQHCYUEIPLGJF-UHFFFAOYSA-N 2 2 246.276 2.273 20 0 BEADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)CC(C)(C)[NH3+] ZINC000346971212 355207551 /nfs/dbraw/zinc/20/75/51/355207551.db2.gz KYQHCYUEIPLGJF-UHFFFAOYSA-N 2 2 246.276 2.273 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000346967400 355174041 /nfs/dbraw/zinc/17/40/41/355174041.db2.gz DQAOIZVFQRLDND-UHFFFAOYSA-N 2 2 242.432 2.475 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCSC2(CCCCC2)C1 ZINC000346967400 355174044 /nfs/dbraw/zinc/17/40/44/355174044.db2.gz DQAOIZVFQRLDND-UHFFFAOYSA-N 2 2 242.432 2.475 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000639233902 355216600 /nfs/dbraw/zinc/21/66/00/355216600.db2.gz YBYLMVHLSJGKLW-SDDRHHMPSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](CCOC2CCC2)CC1 ZINC000346984340 355185600 /nfs/dbraw/zinc/18/56/00/355185600.db2.gz CGEBKJAYDPSAIS-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CCc1cc(NCCc2ccc(C)c[nH+]2)cc[nH+]1 ZINC000413345195 191374353 /nfs/dbraw/zinc/37/43/53/191374353.db2.gz DZFPSRWJAFIXLY-UHFFFAOYSA-N 2 2 241.338 2.424 20 0 BEADLP CCc1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000583500655 355333616 /nfs/dbraw/zinc/33/36/16/355333616.db2.gz WGJXQVXQZFSVJO-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000583500655 355333619 /nfs/dbraw/zinc/33/36/19/355333619.db2.gz WGJXQVXQZFSVJO-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP C[C@H](CC[NH3+])[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000414892668 191617494 /nfs/dbraw/zinc/61/74/94/191617494.db2.gz XHTVWAPPHVHWPP-SECBINFHSA-N 2 2 241.404 2.268 20 0 BEADLP CCSc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414892805 191617838 /nfs/dbraw/zinc/61/78/38/191617838.db2.gz YQCISLURCFJLST-LBPRGKRZSA-N 2 2 236.384 2.250 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639303761 355656834 /nfs/dbraw/zinc/65/68/34/355656834.db2.gz TXSIEFXZMALPGQ-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639303761 355656836 /nfs/dbraw/zinc/65/68/36/355656836.db2.gz TXSIEFXZMALPGQ-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639304747 355659759 /nfs/dbraw/zinc/65/97/59/355659759.db2.gz AZHLVXCJBYHCBA-JSGCOSHPSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@](C)(C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639304747 355659762 /nfs/dbraw/zinc/65/97/62/355659762.db2.gz AZHLVXCJBYHCBA-JSGCOSHPSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639305751 355669312 /nfs/dbraw/zinc/66/93/12/355669312.db2.gz WRYLMWGNDYZXDP-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639305751 355669315 /nfs/dbraw/zinc/66/93/15/355669315.db2.gz WRYLMWGNDYZXDP-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC13CCC3)C2 ZINC000336003071 134048251 /nfs/dbraw/zinc/04/82/51/134048251.db2.gz OTIDYXKKXMOUKO-GWCFXTLKSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000336003071 134048252 /nfs/dbraw/zinc/04/82/52/134048252.db2.gz OTIDYXKKXMOUKO-GWCFXTLKSA-N 2 2 231.343 2.189 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC1(C)C ZINC000353249226 355767238 /nfs/dbraw/zinc/76/72/38/355767238.db2.gz MOWNBHACBAAGBM-DCAQKATOSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC1(C)C ZINC000353249226 355767241 /nfs/dbraw/zinc/76/72/41/355767241.db2.gz MOWNBHACBAAGBM-DCAQKATOSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000639343577 355786561 /nfs/dbraw/zinc/78/65/61/355786561.db2.gz LFAJGRXIROXCEX-VXGBXAGGSA-N 2 2 233.359 2.417 20 0 BEADLP C[C@@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1C ZINC000639343577 355786563 /nfs/dbraw/zinc/78/65/63/355786563.db2.gz LFAJGRXIROXCEX-VXGBXAGGSA-N 2 2 233.359 2.417 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c[nH+]1 ZINC000639377226 355904283 /nfs/dbraw/zinc/90/42/83/355904283.db2.gz JZJOVSJNBMDUPH-KCQAQPDRSA-N 2 2 248.370 2.478 20 0 BEADLP CCC1([NH+](C)C)CC[NH+](Cc2ccncc2)CC1 ZINC000639378154 355909965 /nfs/dbraw/zinc/90/99/65/355909965.db2.gz CYQWRSACFVTKQA-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351471955 355996565 /nfs/dbraw/zinc/99/65/65/355996565.db2.gz NIIQRMBMUPKVHS-YRGRVCCFSA-N 2 2 232.327 2.191 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351471955 355996568 /nfs/dbraw/zinc/99/65/68/355996568.db2.gz NIIQRMBMUPKVHS-YRGRVCCFSA-N 2 2 232.327 2.191 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCC12CC2 ZINC000583641980 355948019 /nfs/dbraw/zinc/94/80/19/355948019.db2.gz KRVMVTGYTBVSGQ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCC12CC2 ZINC000583641980 355948021 /nfs/dbraw/zinc/94/80/21/355948021.db2.gz KRVMVTGYTBVSGQ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC1(C)C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000639393614 356080281 /nfs/dbraw/zinc/08/02/81/356080281.db2.gz PJYYPPFAPXOBKQ-UHFFFAOYSA-N 2 2 242.326 2.109 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nccs1 ZINC000336103253 134084310 /nfs/dbraw/zinc/08/43/10/134084310.db2.gz UMWIHDGDJGADMH-NXEZZACHSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000192390123 356182695 /nfs/dbraw/zinc/18/26/95/356182695.db2.gz RFHPLJDPFZBTGA-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)c1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000420264320 192191406 /nfs/dbraw/zinc/19/14/06/192191406.db2.gz UTIHEPBIPFLCFE-NEPJUHHUSA-N 2 2 248.374 2.164 20 0 BEADLP CC[N@H+](CCOC)Cc1c(C)cc(C)[nH+]c1C ZINC000639460502 356249042 /nfs/dbraw/zinc/24/90/42/356249042.db2.gz XTHIUDUEWLZCCT-UHFFFAOYSA-N 2 2 236.359 2.475 20 0 BEADLP CC[N@@H+](CCOC)Cc1c(C)cc(C)[nH+]c1C ZINC000639460502 356249044 /nfs/dbraw/zinc/24/90/44/356249044.db2.gz XTHIUDUEWLZCCT-UHFFFAOYSA-N 2 2 236.359 2.475 20 0 BEADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000420320637 192196032 /nfs/dbraw/zinc/19/60/32/192196032.db2.gz UIAYYWYGLBQTPP-LBPRGKRZSA-N 2 2 249.358 2.255 20 0 BEADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000420320637 192196034 /nfs/dbraw/zinc/19/60/34/192196034.db2.gz UIAYYWYGLBQTPP-LBPRGKRZSA-N 2 2 249.358 2.255 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000420285138 192199322 /nfs/dbraw/zinc/19/93/22/192199322.db2.gz DVGHBJLJUOUBHS-GFCCVEGCSA-N 2 2 224.373 2.104 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000420285138 192199323 /nfs/dbraw/zinc/19/93/23/192199323.db2.gz DVGHBJLJUOUBHS-GFCCVEGCSA-N 2 2 224.373 2.104 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C(C)(C)CO)c(C)[nH+]1 ZINC000639493181 356314644 /nfs/dbraw/zinc/31/46/44/356314644.db2.gz RNSFJBYRJOYJPW-UHFFFAOYSA-N 2 2 236.359 2.210 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C(C)(C)CO)c(C)[nH+]1 ZINC000639493181 356314645 /nfs/dbraw/zinc/31/46/45/356314645.db2.gz RNSFJBYRJOYJPW-UHFFFAOYSA-N 2 2 236.359 2.210 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(C)n1 ZINC000420289981 192201607 /nfs/dbraw/zinc/20/16/07/192201607.db2.gz LAHJBDOTOJACKL-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(C)n1 ZINC000420289981 192201609 /nfs/dbraw/zinc/20/16/09/192201609.db2.gz LAHJBDOTOJACKL-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC000420286420 192201792 /nfs/dbraw/zinc/20/17/92/192201792.db2.gz GJVYGJHHXMAHKG-ZDUSSCGKSA-N 2 2 240.297 2.182 20 0 BEADLP CC[NH+](CC)CCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420291309 192202740 /nfs/dbraw/zinc/20/27/40/192202740.db2.gz NEWSERODBGBAFG-AWEZNQCLSA-N 3 2 243.439 2.024 20 0 BEADLP CC[NH+](CC)CCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420291309 192202742 /nfs/dbraw/zinc/20/27/42/192202742.db2.gz NEWSERODBGBAFG-AWEZNQCLSA-N 3 2 243.439 2.024 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000420291859 192203232 /nfs/dbraw/zinc/20/32/32/192203232.db2.gz ODJGNDWLFDOEDL-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000420291859 192203234 /nfs/dbraw/zinc/20/32/34/192203234.db2.gz ODJGNDWLFDOEDL-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420331053 192214686 /nfs/dbraw/zinc/21/46/86/192214686.db2.gz BJYRIICNHUJQTC-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420331053 192214689 /nfs/dbraw/zinc/21/46/89/192214689.db2.gz BJYRIICNHUJQTC-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000420339826 192215444 /nfs/dbraw/zinc/21/54/44/192215444.db2.gz QUFTZMJREMVTNF-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000420339826 192215446 /nfs/dbraw/zinc/21/54/46/192215446.db2.gz QUFTZMJREMVTNF-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP Cc1ccccc1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420345789 192215999 /nfs/dbraw/zinc/21/59/99/192215999.db2.gz WQYDLDQTABEEQI-CVEARBPZSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420345789 192216001 /nfs/dbraw/zinc/21/60/01/192216001.db2.gz WQYDLDQTABEEQI-CVEARBPZSA-N 2 2 244.382 2.221 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCO[C@H]1CCCC[C@@H]1C ZINC000420350378 192217180 /nfs/dbraw/zinc/21/71/80/192217180.db2.gz GQHLGBKDKPYHSB-XUXIUFHCSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCO[C@H]1CCCC[C@@H]1C ZINC000420350378 192217181 /nfs/dbraw/zinc/21/71/81/192217181.db2.gz GQHLGBKDKPYHSB-XUXIUFHCSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350991 192217289 /nfs/dbraw/zinc/21/72/89/192217289.db2.gz IQGBAKIQIIPAFP-KWBADKCTSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350991 192217290 /nfs/dbraw/zinc/21/72/90/192217290.db2.gz IQGBAKIQIIPAFP-KWBADKCTSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000420370291 192227924 /nfs/dbraw/zinc/22/79/24/192227924.db2.gz OXFARJBCQAEJPN-GYSYKLTISA-N 2 2 236.334 2.302 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420362764 192222898 /nfs/dbraw/zinc/22/28/98/192222898.db2.gz ITVZZNNPWZQZNU-SLEUVZQESA-N 2 2 248.370 2.171 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420363330 192223464 /nfs/dbraw/zinc/22/34/64/192223464.db2.gz JLBSKVSQOSFMLK-KCQAQPDRSA-N 2 2 232.371 2.471 20 0 BEADLP CC[C@@H]([NH2+]CC[NH3+])c1ccccc1OC(F)F ZINC000420373141 192231177 /nfs/dbraw/zinc/23/11/77/192231177.db2.gz MBYMQTPZDFCNSN-SNVBAGLBSA-N 2 2 244.285 2.287 20 0 BEADLP CC(C)C[N@H+](CC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000420381033 192233894 /nfs/dbraw/zinc/23/38/94/192233894.db2.gz XGGXITIJZNDOCP-CQSZACIVSA-N 2 2 247.386 2.376 20 0 BEADLP CC(C)C[N@@H+](CC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000420381033 192233896 /nfs/dbraw/zinc/23/38/96/192233896.db2.gz XGGXITIJZNDOCP-CQSZACIVSA-N 2 2 247.386 2.376 20 0 BEADLP Cc1nc(NC2CCC([NH+](C)C)CC2)cc[nH+]1 ZINC000420620831 192250708 /nfs/dbraw/zinc/25/07/08/192250708.db2.gz BYZKHQAZELDFMT-UHFFFAOYSA-N 2 2 234.347 2.070 20 0 BEADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[C@@H]1C ZINC000179660801 366282200 /nfs/dbraw/zinc/28/22/00/366282200.db2.gz JWCUCNJKPUJVSJ-STQMWFEESA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC[C@@H]1C ZINC000179660801 366282204 /nfs/dbraw/zinc/28/22/04/366282204.db2.gz JWCUCNJKPUJVSJ-STQMWFEESA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@@H](C)O1 ZINC000449782248 202034953 /nfs/dbraw/zinc/03/49/53/202034953.db2.gz KIXLVJUHTZRUQP-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@@H](C)O1 ZINC000449782248 202034957 /nfs/dbraw/zinc/03/49/57/202034957.db2.gz KIXLVJUHTZRUQP-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@H](C)O1 ZINC000449782246 202035761 /nfs/dbraw/zinc/03/57/61/202035761.db2.gz KIXLVJUHTZRUQP-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@H](C)O1 ZINC000449782246 202035763 /nfs/dbraw/zinc/03/57/63/202035763.db2.gz KIXLVJUHTZRUQP-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP COC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952901 192525980 /nfs/dbraw/zinc/52/59/80/192525980.db2.gz COAVKFWHDBHNIN-SNPRPXQTSA-N 2 2 248.370 2.104 20 0 BEADLP CCc1cc(N(C)Cc2[nH+]ccn2C)cc[nH+]1 ZINC000450226201 202101953 /nfs/dbraw/zinc/10/19/53/202101953.db2.gz KCJGDTDEAGGMOY-UHFFFAOYSA-N 2 2 230.315 2.014 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C[C@@H](C)O)C2CC2)c(C)[nH+]1 ZINC000639749322 356643384 /nfs/dbraw/zinc/64/33/84/356643384.db2.gz HYOTWRWFXWWZIE-GFCCVEGCSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@H+](C[C@@H](C)O)C2CC2)c(C)[nH+]1 ZINC000639749322 356643386 /nfs/dbraw/zinc/64/33/86/356643386.db2.gz HYOTWRWFXWWZIE-GFCCVEGCSA-N 2 2 248.370 2.352 20 0 BEADLP C[C@@H](CCCC[NH3+])[NH2+][C@H](C1CC1)C(F)(F)F ZINC000423136812 192582080 /nfs/dbraw/zinc/58/20/80/192582080.db2.gz ZMPGQYLZZBNQMD-WCBMZHEXSA-N 2 2 238.297 2.434 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000389500759 356694247 /nfs/dbraw/zinc/69/42/47/356694247.db2.gz BXSVYCOQTKTWJC-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000389500759 356694252 /nfs/dbraw/zinc/69/42/52/356694252.db2.gz BXSVYCOQTKTWJC-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000088553598 356739989 /nfs/dbraw/zinc/73/99/89/356739989.db2.gz UGJABABNYSVLTD-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000088553598 356739991 /nfs/dbraw/zinc/73/99/91/356739991.db2.gz UGJABABNYSVLTD-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000088568123 356740748 /nfs/dbraw/zinc/74/07/48/356740748.db2.gz HFUZALBEYHCVMQ-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000088568123 356740749 /nfs/dbraw/zinc/74/07/49/356740749.db2.gz HFUZALBEYHCVMQ-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1[nH]cc[nH+]1 ZINC000357700863 356841748 /nfs/dbraw/zinc/84/17/48/356841748.db2.gz VHONLCPTDDDOPI-SECBINFHSA-N 2 2 242.286 2.244 20 0 BEADLP CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000353485124 538744321 /nfs/dbraw/zinc/74/43/21/538744321.db2.gz SNSPYSGBIJSYDV-NWDGAFQWSA-N 2 2 238.379 2.181 20 0 BEADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000353485124 538744325 /nfs/dbraw/zinc/74/43/25/538744325.db2.gz SNSPYSGBIJSYDV-NWDGAFQWSA-N 2 2 238.379 2.181 20 0 BEADLP CC(C)[NH+](CCN[C@@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000353435597 538742689 /nfs/dbraw/zinc/74/26/89/538742689.db2.gz MNOAOFASLYSKLN-LBPRGKRZSA-N 2 2 238.379 2.179 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])s1 ZINC000019843270 356901638 /nfs/dbraw/zinc/90/16/38/356901638.db2.gz URXIFPDMUVRWMN-SNVBAGLBSA-N 2 2 224.373 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])s1 ZINC000019843270 356901640 /nfs/dbraw/zinc/90/16/40/356901640.db2.gz URXIFPDMUVRWMN-SNVBAGLBSA-N 2 2 224.373 2.234 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000423225813 192636155 /nfs/dbraw/zinc/63/61/55/192636155.db2.gz OIGFHIJASLKOOH-YPMHNXCESA-N 2 2 218.344 2.352 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000423225615 192636692 /nfs/dbraw/zinc/63/66/92/192636692.db2.gz NMLOFOKGTLBALZ-SECBINFHSA-N 2 2 244.285 2.158 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000423226107 192637762 /nfs/dbraw/zinc/63/77/62/192637762.db2.gz PKUWVUXTLKOGHS-LLVKDONJSA-N 2 2 240.347 2.172 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000423226108 192637774 /nfs/dbraw/zinc/63/77/74/192637774.db2.gz PKUWVUXTLKOGHS-NSHDSACASA-N 2 2 240.347 2.172 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423228363 192639647 /nfs/dbraw/zinc/63/96/47/192639647.db2.gz ZGTAZVOWUROUDR-SNVBAGLBSA-N 2 2 218.300 2.303 20 0 BEADLP Fc1cncc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231423 192640916 /nfs/dbraw/zinc/64/09/16/192640916.db2.gz GRXRHNABLXEPEH-ZIAGYGMSSA-N 2 2 249.333 2.013 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000390373685 357091260 /nfs/dbraw/zinc/09/12/60/357091260.db2.gz WTDSDTIOIFUHEO-TZMCWYRMSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000390373685 357091262 /nfs/dbraw/zinc/09/12/62/357091262.db2.gz WTDSDTIOIFUHEO-TZMCWYRMSA-N 2 2 224.392 2.352 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423235536 192644096 /nfs/dbraw/zinc/64/40/96/192644096.db2.gz NHCJQVFIXBKQFB-OLZOCXBDSA-N 2 2 248.370 2.406 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCSc2ccccc21 ZINC000423235431 192644999 /nfs/dbraw/zinc/64/49/99/192644999.db2.gz AXJVYAWNUZRTTP-LBPRGKRZSA-N 2 2 236.384 2.423 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1(C)CC1 ZINC000423252288 192653041 /nfs/dbraw/zinc/65/30/41/192653041.db2.gz XIWGCYVXVZIAJJ-WCQYABFASA-N 2 2 218.344 2.465 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000391169757 357125763 /nfs/dbraw/zinc/12/57/63/357125763.db2.gz FQQXUPXYXKQYBK-HUUCEWRRSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000391169757 357125765 /nfs/dbraw/zinc/12/57/65/357125765.db2.gz FQQXUPXYXKQYBK-HUUCEWRRSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000423265275 192659891 /nfs/dbraw/zinc/65/98/91/192659891.db2.gz CSDYJYNPWDCPPK-VXGBXAGGSA-N 2 2 221.348 2.024 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000393608794 357288914 /nfs/dbraw/zinc/28/89/14/357288914.db2.gz RFHWLKZSAUSLBS-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000393608794 357288916 /nfs/dbraw/zinc/28/89/16/357288916.db2.gz RFHWLKZSAUSLBS-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]1C ZINC000393745924 357295471 /nfs/dbraw/zinc/29/54/71/357295471.db2.gz LYGJGIFGONPMSG-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000381460706 357260340 /nfs/dbraw/zinc/26/03/40/357260340.db2.gz KXOWYZCELDWCJU-DMDPSCGWSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000381460706 357260343 /nfs/dbraw/zinc/26/03/43/357260343.db2.gz KXOWYZCELDWCJU-DMDPSCGWSA-N 2 2 238.400 2.219 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000423279452 192671882 /nfs/dbraw/zinc/67/18/82/192671882.db2.gz RXYRCTISQIHPEB-ZYHUDNBSSA-N 2 2 224.348 2.476 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000582499515 357330180 /nfs/dbraw/zinc/33/01/80/357330180.db2.gz JDOSJHYFNFYUCH-YUELXQCFSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000582499515 357330183 /nfs/dbraw/zinc/33/01/83/357330183.db2.gz JDOSJHYFNFYUCH-YUELXQCFSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157658490 538833701 /nfs/dbraw/zinc/83/37/01/538833701.db2.gz HYZNNXXAGULHTO-AAEUAGOBSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157658490 538833704 /nfs/dbraw/zinc/83/37/04/538833704.db2.gz HYZNNXXAGULHTO-AAEUAGOBSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000582614393 357353139 /nfs/dbraw/zinc/35/31/39/357353139.db2.gz DYXVVEGJBCTUJP-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000582614393 357353141 /nfs/dbraw/zinc/35/31/41/357353141.db2.gz DYXVVEGJBCTUJP-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000157745372 538837683 /nfs/dbraw/zinc/83/76/83/538837683.db2.gz GDOHSRFRSNLKNJ-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)C ZINC000157745372 538837688 /nfs/dbraw/zinc/83/76/88/538837688.db2.gz GDOHSRFRSNLKNJ-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157805829 538840051 /nfs/dbraw/zinc/84/00/51/538840051.db2.gz RSOPYWRISQFFOD-KBPBESRZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157805829 538840059 /nfs/dbraw/zinc/84/00/59/538840059.db2.gz RSOPYWRISQFFOD-KBPBESRZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623410613 357506141 /nfs/dbraw/zinc/50/61/41/357506141.db2.gz XTGJUSHNUPUHJX-MEYUZBJRSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623410613 357506145 /nfs/dbraw/zinc/50/61/45/357506145.db2.gz XTGJUSHNUPUHJX-MEYUZBJRSA-N 2 2 248.414 2.495 20 0 BEADLP COc1ccc(C)[nH+]c1NCc1[nH]c(C)c(C)[nH+]1 ZINC000583035382 357465718 /nfs/dbraw/zinc/46/57/18/357465718.db2.gz PEZKMBNCRFSFIZ-UHFFFAOYSA-N 2 2 246.314 2.351 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000397520890 357536241 /nfs/dbraw/zinc/53/62/41/357536241.db2.gz GVALGVNKAIELOZ-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@H]1C[C@H]1C ZINC000321552586 357589659 /nfs/dbraw/zinc/58/96/59/357589659.db2.gz SCDGYVXMFZGYKH-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000132054428 325196990 /nfs/dbraw/zinc/19/69/90/325196990.db2.gz PNHBREUMCSUHOL-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cncc(F)c1 ZINC000231434604 357614194 /nfs/dbraw/zinc/61/41/94/357614194.db2.gz XVUQLSZJAQLAMP-CYBMUJFWSA-N 2 2 239.338 2.026 20 0 BEADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cncc(F)c1 ZINC000231434604 357614200 /nfs/dbraw/zinc/61/42/00/357614200.db2.gz XVUQLSZJAQLAMP-CYBMUJFWSA-N 2 2 239.338 2.026 20 0 BEADLP CCc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1C ZINC000234132822 357775971 /nfs/dbraw/zinc/77/59/71/357775971.db2.gz CTXCUUGDAOCUIV-GFCCVEGCSA-N 2 2 221.348 2.320 20 0 BEADLP CCc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1C ZINC000234132822 357775974 /nfs/dbraw/zinc/77/59/74/357775974.db2.gz CTXCUUGDAOCUIV-GFCCVEGCSA-N 2 2 221.348 2.320 20 0 BEADLP CCc1cnc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000220334078 358038175 /nfs/dbraw/zinc/03/81/75/358038175.db2.gz UEAQTUGNVFEQDX-UWVGGRQHSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1cnc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)s1 ZINC000220334078 358038177 /nfs/dbraw/zinc/03/81/77/358038177.db2.gz UEAQTUGNVFEQDX-UWVGGRQHSA-N 2 2 239.388 2.017 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1sccc1C ZINC000169237318 134249858 /nfs/dbraw/zinc/24/98/58/134249858.db2.gz ACBJGRPWAQODOG-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nccs1 ZINC000168758214 134248088 /nfs/dbraw/zinc/24/80/88/134248088.db2.gz VOEDVDKSIQNVFU-QWRGUYRKSA-N 2 2 239.388 2.326 20 0 BEADLP C/C=C/C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000628460179 358087982 /nfs/dbraw/zinc/08/79/82/358087982.db2.gz KSUUOQJXENXGIE-ONEGZZNKSA-N 2 2 204.317 2.488 20 0 BEADLP CCc1[nH+]ccn1C/C=C\Cn1cc[nH+]c1CC ZINC000584794002 358181675 /nfs/dbraw/zinc/18/16/75/358181675.db2.gz YURIFNDZPHJDLI-WAYWQWQTSA-N 2 2 244.342 2.461 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000225167336 358246499 /nfs/dbraw/zinc/24/64/99/358246499.db2.gz YEFRAJNALOFUGE-SNVBAGLBSA-N 2 2 224.373 2.152 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC(C)(C)[NH+](C)C ZINC000132047943 491127141 /nfs/dbraw/zinc/12/71/41/491127141.db2.gz SDMQPZIZUQDGSH-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1C[C@H]1C ZINC000321770522 259479735 /nfs/dbraw/zinc/47/97/35/259479735.db2.gz FIQXDQICXYVYLR-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccncc1 ZINC000045094577 358400430 /nfs/dbraw/zinc/40/04/30/358400430.db2.gz VVXGJWARVOAGPO-ZDUSSCGKSA-N 2 2 244.342 2.409 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000042543706 358527070 /nfs/dbraw/zinc/52/70/70/358527070.db2.gz GBCKIKRDQXGIJF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000042543706 358527074 /nfs/dbraw/zinc/52/70/74/358527074.db2.gz GBCKIKRDQXGIJF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000051724224 358760763 /nfs/dbraw/zinc/76/07/63/358760763.db2.gz MDUYRWFVAORGQK-LBPRGKRZSA-N 2 2 248.370 2.416 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000051724224 358760765 /nfs/dbraw/zinc/76/07/65/358760765.db2.gz MDUYRWFVAORGQK-LBPRGKRZSA-N 2 2 248.370 2.416 20 0 BEADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050243288 358721082 /nfs/dbraw/zinc/72/10/82/358721082.db2.gz OVDQRYXYXBWAGV-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050243288 358721087 /nfs/dbraw/zinc/72/10/87/358721087.db2.gz OVDQRYXYXBWAGV-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000050545710 358733293 /nfs/dbraw/zinc/73/32/93/358733293.db2.gz UCPUSOQRXLOWFG-CYBMUJFWSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000050545710 358733294 /nfs/dbraw/zinc/73/32/94/358733294.db2.gz UCPUSOQRXLOWFG-CYBMUJFWSA-N 2 2 248.345 2.460 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134058616 358778060 /nfs/dbraw/zinc/77/80/60/358778060.db2.gz YTINUBKSFXQFMP-XDQVBPFNSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000069794221 359033838 /nfs/dbraw/zinc/03/38/38/359033838.db2.gz XUTGYZQCQOHTRC-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000069794221 359033843 /nfs/dbraw/zinc/03/38/43/359033843.db2.gz XUTGYZQCQOHTRC-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[NH+](C)C ZINC000070347422 359050538 /nfs/dbraw/zinc/05/05/38/359050538.db2.gz RRWVRQWFYXYWFG-MGPQQGTHSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)oc1C ZINC000423323113 192707222 /nfs/dbraw/zinc/70/72/22/192707222.db2.gz OHLJGRTYDPANSE-JOYOIKCWSA-N 2 2 222.332 2.284 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000246974030 359178920 /nfs/dbraw/zinc/17/89/20/359178920.db2.gz JGZVEJLMGPNPBG-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000246974030 359178921 /nfs/dbraw/zinc/17/89/21/359178921.db2.gz JGZVEJLMGPNPBG-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCCC1(C)C)[NH+](C)C ZINC000086844223 359543899 /nfs/dbraw/zinc/54/38/99/359543899.db2.gz LLJTUWLEXDGBJA-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430593102 192879361 /nfs/dbraw/zinc/87/93/61/192879361.db2.gz DDPJCMFQLQAVTR-HZSPNIEDSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430593102 192879362 /nfs/dbraw/zinc/87/93/62/192879362.db2.gz DDPJCMFQLQAVTR-HZSPNIEDSA-N 2 2 240.391 2.005 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623945258 359682203 /nfs/dbraw/zinc/68/22/03/359682203.db2.gz GWMJFKNMFDHORD-NSHDSACASA-N 2 2 249.358 2.375 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623945258 359682208 /nfs/dbraw/zinc/68/22/08/359682208.db2.gz GWMJFKNMFDHORD-NSHDSACASA-N 2 2 249.358 2.375 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC13CC3)CC2 ZINC000578669396 366625412 /nfs/dbraw/zinc/62/54/12/366625412.db2.gz KNPUMJAXDOEAQO-RYUDHWBXSA-N 2 2 231.343 2.120 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087770974 359926329 /nfs/dbraw/zinc/92/63/29/359926329.db2.gz AKERRPBEECJFPG-RYUDHWBXSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087770976 359926508 /nfs/dbraw/zinc/92/65/08/359926508.db2.gz AKERRPBEECJFPG-NEPJUHHUSA-N 2 2 221.348 2.440 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638603 360264629 /nfs/dbraw/zinc/26/46/29/360264629.db2.gz SOSJBCTXEKGYBI-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638603 360264633 /nfs/dbraw/zinc/26/46/33/360264633.db2.gz SOSJBCTXEKGYBI-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638603 360264636 /nfs/dbraw/zinc/26/46/36/360264636.db2.gz SOSJBCTXEKGYBI-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638603 360264639 /nfs/dbraw/zinc/26/46/39/360264639.db2.gz SOSJBCTXEKGYBI-OCCSQVGLSA-N 2 2 236.359 2.442 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)CC1CCCCC1 ZINC000060312924 360441889 /nfs/dbraw/zinc/44/18/89/360441889.db2.gz DFTQYJLGEVDANF-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1CCCCC1 ZINC000060312924 360441891 /nfs/dbraw/zinc/44/18/91/360441891.db2.gz DFTQYJLGEVDANF-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000309526922 491149996 /nfs/dbraw/zinc/14/99/96/491149996.db2.gz CSRNVSPWLVIYMS-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000309526922 491149997 /nfs/dbraw/zinc/14/99/97/491149997.db2.gz CSRNVSPWLVIYMS-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CCC1)Cn1cc[nH+]c1 ZINC000309589322 491151593 /nfs/dbraw/zinc/15/15/93/491151593.db2.gz UGDBOJYGZOYJQX-LBPRGKRZSA-N 2 2 221.348 2.299 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309609359 491152354 /nfs/dbraw/zinc/15/23/54/491152354.db2.gz ZNMRNZJEPDLVSW-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309609359 491152355 /nfs/dbraw/zinc/15/23/55/491152355.db2.gz ZNMRNZJEPDLVSW-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205599 200748294 /nfs/dbraw/zinc/74/82/94/200748294.db2.gz IWAJLQOTMUQCDD-NXRJPMIISA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205599 200748297 /nfs/dbraw/zinc/74/82/97/200748297.db2.gz IWAJLQOTMUQCDD-NXRJPMIISA-N 2 2 234.387 2.247 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394466 361043810 /nfs/dbraw/zinc/04/38/10/361043810.db2.gz IILPFRFSSAQHNY-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000629407976 361056964 /nfs/dbraw/zinc/05/69/64/361056964.db2.gz NODQRHRPOVRRQX-ILUUYBRNSA-N 2 2 234.318 2.179 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397326 361047511 /nfs/dbraw/zinc/04/75/11/361047511.db2.gz ZLPTVMKKBYHQGS-TZMCWYRMSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CCCC[NH3+] ZINC000423016276 200855444 /nfs/dbraw/zinc/85/54/44/200855444.db2.gz SPGYZZMHZVFLNS-ZDUSSCGKSA-N 3 2 235.375 2.040 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000629408682 361059593 /nfs/dbraw/zinc/05/95/93/361059593.db2.gz YOWTYUCESJRDIM-XHDPSFHLSA-N 2 2 230.355 2.015 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2CCC3)C[NH2+]1 ZINC000629418377 361062985 /nfs/dbraw/zinc/06/29/85/361062985.db2.gz XKFSKMJUQQXZOG-WFASDCNBSA-N 2 2 244.382 2.405 20 0 BEADLP C[C@H](C[N@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000640349360 361072037 /nfs/dbraw/zinc/07/20/37/361072037.db2.gz BCOLLVDGLRGSIW-GFCCVEGCSA-N 2 2 223.364 2.497 20 0 BEADLP C[C@H](C[N@@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000640349360 361072042 /nfs/dbraw/zinc/07/20/42/361072042.db2.gz BCOLLVDGLRGSIW-GFCCVEGCSA-N 2 2 223.364 2.497 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000309670053 491154285 /nfs/dbraw/zinc/15/42/85/491154285.db2.gz JLFIUZIUKQSSTI-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000629506525 361101262 /nfs/dbraw/zinc/10/12/62/361101262.db2.gz XZMKHTITZPTDBA-UHFFFAOYSA-N 2 2 247.386 2.309 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000629506525 361101267 /nfs/dbraw/zinc/10/12/67/361101267.db2.gz XZMKHTITZPTDBA-UHFFFAOYSA-N 2 2 247.386 2.309 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000629509832 361104738 /nfs/dbraw/zinc/10/47/38/361104738.db2.gz LFGYUXCGIPBGPI-NSHDSACASA-N 2 2 235.375 2.292 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000629509832 361104740 /nfs/dbraw/zinc/10/47/40/361104740.db2.gz LFGYUXCGIPBGPI-NSHDSACASA-N 2 2 235.375 2.292 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cnc(C)s1 ZINC000629527421 361129502 /nfs/dbraw/zinc/12/95/02/361129502.db2.gz VKGIRVHZOFTBNW-DVVUODLYSA-N 2 2 239.388 2.243 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579137394 366723045 /nfs/dbraw/zinc/72/30/45/366723045.db2.gz AZERKVAZAUYTKR-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579137394 366723050 /nfs/dbraw/zinc/72/30/50/366723050.db2.gz AZERKVAZAUYTKR-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP CC1CC[NH+](CC[NH2+]CC2(C)CCC2)CC1 ZINC000309830488 491157389 /nfs/dbraw/zinc/15/73/89/491157389.db2.gz YJOPPJWEOFSVNY-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000629536131 361398490 /nfs/dbraw/zinc/39/84/90/361398490.db2.gz FUDFOBXZVHHOIL-WCABBAIRSA-N 2 2 239.388 2.243 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000629536120 361398564 /nfs/dbraw/zinc/39/85/64/361398564.db2.gz FUDFOBXZVHHOIL-ATZCPNFKSA-N 2 2 239.388 2.243 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccnc1 ZINC000629543544 361411165 /nfs/dbraw/zinc/41/11/65/361411165.db2.gz BTSQYMUGOKTWIH-YUTCNCBUSA-N 2 2 233.359 2.119 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629542834 361420690 /nfs/dbraw/zinc/42/06/90/361420690.db2.gz MZISAKBEUCMTJQ-SGMGOOAPSA-N 2 2 233.359 2.181 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000629544246 361423203 /nfs/dbraw/zinc/42/32/03/361423203.db2.gz HAGSLKKIWNPTSP-GDLCADMTSA-N 2 2 246.354 2.110 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544371 361423428 /nfs/dbraw/zinc/42/34/28/361423428.db2.gz LBQBLVLXKFGXRX-LPEHRKFASA-N 2 2 240.372 2.158 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544800 361424557 /nfs/dbraw/zinc/42/45/57/361424557.db2.gz CXFHEFIJJIZGIC-NTZNESFSSA-N 2 2 234.343 2.096 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000629544752 361424908 /nfs/dbraw/zinc/42/49/08/361424908.db2.gz CGIZEZLLCHQYJL-GLQYFDAESA-N 2 2 230.355 2.404 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000629547202 361430249 /nfs/dbraw/zinc/43/02/49/361430249.db2.gz HTSINKLADVUKJR-FZZIBODNSA-N 2 2 234.318 2.153 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000629557184 361447088 /nfs/dbraw/zinc/44/70/88/361447088.db2.gz WTMZAYLJVUZZDB-ZDUSSCGKSA-N 2 2 222.307 2.094 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H]1CCc2ccc(F)cc21 ZINC000629557184 361447093 /nfs/dbraw/zinc/44/70/93/361447093.db2.gz WTMZAYLJVUZZDB-ZDUSSCGKSA-N 2 2 222.307 2.094 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccoc1 ZINC000629542154 361417556 /nfs/dbraw/zinc/41/75/56/361417556.db2.gz ZKWVURJFYVDGDA-FOGDFJRCSA-N 2 2 208.305 2.071 20 0 BEADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544258 361419812 /nfs/dbraw/zinc/41/98/12/361419812.db2.gz INPIBOIXMCATKD-CTHBEMJXSA-N 2 2 248.370 2.103 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000629558225 361453158 /nfs/dbraw/zinc/45/31/58/361453158.db2.gz UFDXGDQEZFPPHC-AWEZNQCLSA-N 2 2 236.334 2.484 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000629558225 361453161 /nfs/dbraw/zinc/45/31/61/361453161.db2.gz UFDXGDQEZFPPHC-AWEZNQCLSA-N 2 2 236.334 2.484 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000629647947 361539581 /nfs/dbraw/zinc/53/95/81/361539581.db2.gz LNLKGXLKBCIMTG-HNNXBMFYSA-N 2 2 241.338 2.180 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000629650360 361548497 /nfs/dbraw/zinc/54/84/97/361548497.db2.gz SFIVTWRVGKFNAI-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP C[NH2+]c1ccc(N[C@H]2CCC[NH2+]CC2)cc1 ZINC000629652875 361551288 /nfs/dbraw/zinc/55/12/88/361551288.db2.gz CFMKORAZODOYQO-LBPRGKRZSA-N 2 2 219.332 2.282 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435040937 201249616 /nfs/dbraw/zinc/24/96/16/201249616.db2.gz NIIQRMBMUPKVHS-OUCADQQQSA-N 2 2 232.327 2.191 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435040937 201249620 /nfs/dbraw/zinc/24/96/20/201249620.db2.gz NIIQRMBMUPKVHS-OUCADQQQSA-N 2 2 232.327 2.191 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1Cl ZINC000629672217 361613832 /nfs/dbraw/zinc/61/38/32/361613832.db2.gz OJCAQHRQVOVKGO-GXFFZTMASA-N 2 2 238.762 2.488 20 0 BEADLP CCCc1cccc(C[N@H+](C)CC[NH2+]C)c1 ZINC000435368909 201264791 /nfs/dbraw/zinc/26/47/91/201264791.db2.gz CKZGHESWBLAMFB-UHFFFAOYSA-N 2 2 220.360 2.290 20 0 BEADLP CCCc1cccc(C[N@@H+](C)CC[NH2+]C)c1 ZINC000435368909 201264794 /nfs/dbraw/zinc/26/47/94/201264794.db2.gz CKZGHESWBLAMFB-UHFFFAOYSA-N 2 2 220.360 2.290 20 0 BEADLP COc1ccc2oc(C[N@H+](C)[C@H](C)C[NH3+])cc2c1 ZINC000435377127 201265705 /nfs/dbraw/zinc/26/57/05/201265705.db2.gz YGIOGIAJVUXPAK-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP COc1ccc2oc(C[N@@H+](C)[C@H](C)C[NH3+])cc2c1 ZINC000435377127 201265709 /nfs/dbraw/zinc/26/57/09/201265709.db2.gz YGIOGIAJVUXPAK-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000435877839 201293469 /nfs/dbraw/zinc/29/34/69/201293469.db2.gz VOOBCZKTXYIGFB-UKRRQHHQSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000435877839 201293472 /nfs/dbraw/zinc/29/34/72/201293472.db2.gz VOOBCZKTXYIGFB-UKRRQHHQSA-N 2 2 248.370 2.058 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000093074760 541347277 /nfs/dbraw/zinc/34/72/77/541347277.db2.gz IQLDSCKITIOBGH-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000093074760 541347281 /nfs/dbraw/zinc/34/72/81/541347281.db2.gz IQLDSCKITIOBGH-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](Nc1cccc[nH+]1)C1CC[NH+](C)CC1 ZINC000134152530 541356344 /nfs/dbraw/zinc/35/63/44/541356344.db2.gz WKJBADIVNQLYEG-NSHDSACASA-N 2 2 219.332 2.224 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000398967897 364376738 /nfs/dbraw/zinc/37/67/38/364376738.db2.gz SNFRJFZMPVVKPN-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000246888922 364614051 /nfs/dbraw/zinc/61/40/51/364614051.db2.gz HBVUSVTYCCSFFV-WCQYABFASA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccco2)[C@@H](C)C1 ZINC000246888922 364614055 /nfs/dbraw/zinc/61/40/55/364614055.db2.gz HBVUSVTYCCSFFV-WCQYABFASA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@@H](C)C1 ZINC000246879361 364614124 /nfs/dbraw/zinc/61/41/24/364614124.db2.gz GNZVNYQZUMMNDE-AAEUAGOBSA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@@H](C)C1 ZINC000246879361 364614128 /nfs/dbraw/zinc/61/41/28/364614128.db2.gz GNZVNYQZUMMNDE-AAEUAGOBSA-N 2 2 222.332 2.100 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cncs1 ZINC000573530074 364855178 /nfs/dbraw/zinc/85/51/78/364855178.db2.gz QPTRFJOIXBEKNR-RKDXNWHRSA-N 2 2 248.355 2.074 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cncs1 ZINC000573530074 364855181 /nfs/dbraw/zinc/85/51/81/364855181.db2.gz QPTRFJOIXBEKNR-RKDXNWHRSA-N 2 2 248.355 2.074 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911849 364820452 /nfs/dbraw/zinc/82/04/52/364820452.db2.gz AVAQCRMCTDMRQH-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911849 364820455 /nfs/dbraw/zinc/82/04/55/364820455.db2.gz AVAQCRMCTDMRQH-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1c[nH+]ccc1NCc1ccc[nH+]c1N(C)C ZINC000191978855 364831221 /nfs/dbraw/zinc/83/12/21/364831221.db2.gz HXAMQKGOHKUNCH-UHFFFAOYSA-N 2 2 242.326 2.463 20 0 BEADLP CC1=C[C@@H](C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000574050370 364977051 /nfs/dbraw/zinc/97/70/51/364977051.db2.gz GZOSUWJOXREMQQ-GFCCVEGCSA-N 2 2 233.359 2.251 20 0 BEADLP CC1=C[C@@H](C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000574050370 364977057 /nfs/dbraw/zinc/97/70/57/364977057.db2.gz GZOSUWJOXREMQQ-GFCCVEGCSA-N 2 2 233.359 2.251 20 0 BEADLP [NH3+]CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000037713183 181382890 /nfs/dbraw/zinc/38/28/90/181382890.db2.gz ZKLNYNFLOKDNJJ-HNNXBMFYSA-N 2 2 241.338 2.109 20 0 BEADLP CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000343927876 541449399 /nfs/dbraw/zinc/44/93/99/541449399.db2.gz JZUWCNNLOZGPRF-NWDGAFQWSA-N 2 2 238.379 2.181 20 0 BEADLP CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000343927876 541449402 /nfs/dbraw/zinc/44/94/02/541449402.db2.gz JZUWCNNLOZGPRF-NWDGAFQWSA-N 2 2 238.379 2.181 20 0 BEADLP [NH3+]CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000057529584 181392245 /nfs/dbraw/zinc/39/22/45/181392245.db2.gz FREVTADGXOGNBI-UHFFFAOYSA-N 2 2 238.762 2.478 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H]1C ZINC000575326299 365291137 /nfs/dbraw/zinc/29/11/37/365291137.db2.gz MVFQBISIAAEAIZ-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1C ZINC000575326299 365291141 /nfs/dbraw/zinc/29/11/41/365291141.db2.gz MVFQBISIAAEAIZ-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000575825449 365374849 /nfs/dbraw/zinc/37/48/49/365374849.db2.gz MJJOBFHUZUCAJF-HSBZDZAISA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([N@H+](C)CCCn1cc[nH+]c1)C1(C)CC1 ZINC000182839113 366948572 /nfs/dbraw/zinc/94/85/72/366948572.db2.gz NSWHOHSDHSNSCP-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]([N@@H+](C)CCCn1cc[nH+]c1)C1(C)CC1 ZINC000182839113 366948573 /nfs/dbraw/zinc/94/85/73/366948573.db2.gz NSWHOHSDHSNSCP-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)(F)F ZINC000564791807 325809413 /nfs/dbraw/zinc/80/94/13/325809413.db2.gz IYQBXCZOBIAPKB-IVZWLZJFSA-N 2 2 220.307 2.008 20 0 BEADLP c1cn(CCC[NH+]2C[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC000183186046 366993606 /nfs/dbraw/zinc/99/36/06/366993606.db2.gz OCMYOVYVXICBPV-STQMWFEESA-N 2 2 219.332 2.005 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCc1ccccc1F ZINC000453628508 202788128 /nfs/dbraw/zinc/78/81/28/202788128.db2.gz XEIBAABPDAMIGV-UHFFFAOYSA-N 2 2 238.350 2.298 20 0 BEADLP CC1CC[NH+](CC[NH2+]C2(C3CC3)CC2)CC1 ZINC000381713303 367450340 /nfs/dbraw/zinc/45/03/40/367450340.db2.gz KQRIHMDZAACNDB-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382413433 367517426 /nfs/dbraw/zinc/51/74/26/367517426.db2.gz VHMAMHPYLRAFEB-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382413433 367517432 /nfs/dbraw/zinc/51/74/32/367517432.db2.gz VHMAMHPYLRAFEB-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000382979437 367577920 /nfs/dbraw/zinc/57/79/20/367577920.db2.gz QTRYLUXMQZCLOI-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000382979437 367577924 /nfs/dbraw/zinc/57/79/24/367577924.db2.gz QTRYLUXMQZCLOI-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383105447 367596922 /nfs/dbraw/zinc/59/69/22/367596922.db2.gz GOFWICIXYNHMEU-ONGXEEELSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383105447 367596929 /nfs/dbraw/zinc/59/69/29/367596929.db2.gz GOFWICIXYNHMEU-ONGXEEELSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383105444 367596988 /nfs/dbraw/zinc/59/69/88/367596988.db2.gz GOFWICIXYNHMEU-GXSJLCMTSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383105444 367596992 /nfs/dbraw/zinc/59/69/92/367596992.db2.gz GOFWICIXYNHMEU-GXSJLCMTSA-N 2 2 244.329 2.247 20 0 BEADLP CCC(C)(CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000566021400 325985933 /nfs/dbraw/zinc/98/59/33/325985933.db2.gz WTGGPCZGZJWDAV-UHFFFAOYSA-N 2 2 209.337 2.397 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399178946 367851863 /nfs/dbraw/zinc/85/18/63/367851863.db2.gz KWMWVVITONMHJL-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP c1ccc(SCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385367540 367822098 /nfs/dbraw/zinc/82/20/98/367822098.db2.gz JVGCKDJXVMQDJT-OCCSQVGLSA-N 2 2 248.395 2.072 20 0 BEADLP c1ccc(SCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385367540 367822103 /nfs/dbraw/zinc/82/21/03/367822103.db2.gz JVGCKDJXVMQDJT-OCCSQVGLSA-N 2 2 248.395 2.072 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399239744 367910761 /nfs/dbraw/zinc/91/07/61/367910761.db2.gz IJBKQAJJIDTNMH-MNOVXSKESA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]([NH2+]Cc1cccs1)[C@H]1CCCC[NH2+]1 ZINC000386588417 367996255 /nfs/dbraw/zinc/99/62/55/367996255.db2.gz QTQBMWFYBJMFQX-CMPLNLGQSA-N 2 2 224.373 2.368 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399255585 368047531 /nfs/dbraw/zinc/04/75/31/368047531.db2.gz ZQJDICKKVOCVQD-DYEKYZERSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(F)cccc1F ZINC000084946318 368860155 /nfs/dbraw/zinc/86/01/55/368860155.db2.gz UYGZWHBHMGJXRV-VHSXEESVSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(F)cccc1F ZINC000084946318 368860162 /nfs/dbraw/zinc/86/01/62/368860162.db2.gz UYGZWHBHMGJXRV-VHSXEESVSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1F ZINC000084946314 368860817 /nfs/dbraw/zinc/86/08/17/368860817.db2.gz ZNBFJBYJWYPYPX-ONGXEEELSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1F ZINC000084946314 368860821 /nfs/dbraw/zinc/86/08/21/368860821.db2.gz ZNBFJBYJWYPYPX-ONGXEEELSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1c(F)cccc1F ZINC000084946316 368860996 /nfs/dbraw/zinc/86/09/96/368860996.db2.gz UYGZWHBHMGJXRV-NXEZZACHSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1c(F)cccc1F ZINC000084946316 368861001 /nfs/dbraw/zinc/86/10/01/368861001.db2.gz UYGZWHBHMGJXRV-NXEZZACHSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1F ZINC000113522170 368894541 /nfs/dbraw/zinc/89/45/41/368894541.db2.gz WDZOPMSMXXXIFP-SKDRFNHKSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1F ZINC000113522170 368894544 /nfs/dbraw/zinc/89/45/44/368894544.db2.gz WDZOPMSMXXXIFP-SKDRFNHKSA-N 2 2 240.297 2.276 20 0 BEADLP Cc1cc(C)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(C)[nH+]1 ZINC000631822118 368974631 /nfs/dbraw/zinc/97/46/31/368974631.db2.gz TWTXFOYYWDCIJJ-STQMWFEESA-N 2 2 247.386 2.189 20 0 BEADLP CCn1cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000091127590 369005681 /nfs/dbraw/zinc/00/56/81/369005681.db2.gz QYFGTAIUIBHDBC-UHFFFAOYSA-N 2 2 246.358 2.275 20 0 BEADLP COc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631835143 369045233 /nfs/dbraw/zinc/04/52/33/369045233.db2.gz NJDIAVKFCNTGHF-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP COc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631835143 369045237 /nfs/dbraw/zinc/04/52/37/369045237.db2.gz NJDIAVKFCNTGHF-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCC1(C)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459317313 203254538 /nfs/dbraw/zinc/25/45/38/203254538.db2.gz AZEBUCDQHLSIPD-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000459399258 203273750 /nfs/dbraw/zinc/27/37/50/203273750.db2.gz BJPAUTWNTSVFBO-CYBMUJFWSA-N 2 2 233.359 2.251 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000459399258 203273752 /nfs/dbraw/zinc/27/37/52/203273752.db2.gz BJPAUTWNTSVFBO-CYBMUJFWSA-N 2 2 233.359 2.251 20 0 BEADLP C[C@H](C1CCC1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459477656 203287997 /nfs/dbraw/zinc/28/79/97/203287997.db2.gz SBICVKCHWXQOOH-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H](C1CCC1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459477656 203288001 /nfs/dbraw/zinc/28/80/01/203288001.db2.gz SBICVKCHWXQOOH-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CCC[N@@H+]1C ZINC000459486663 203291549 /nfs/dbraw/zinc/29/15/49/203291549.db2.gz RPGQJXHIGSNONG-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CCC[N@H+]1C ZINC000459486663 203291552 /nfs/dbraw/zinc/29/15/52/203291552.db2.gz RPGQJXHIGSNONG-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC1=CCCCC1 ZINC000459555889 203293310 /nfs/dbraw/zinc/29/33/10/203293310.db2.gz GRGKPTBOLAHQLQ-UHFFFAOYSA-N 2 2 210.365 2.417 20 0 BEADLP CCC(CC)[N@H+](CC)CCc1c[nH+]cn1C ZINC000459535053 203297405 /nfs/dbraw/zinc/29/74/05/203297405.db2.gz PNBLKTKACYOWHB-UHFFFAOYSA-N 2 2 223.364 2.473 20 0 BEADLP CCC(CC)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000459535053 203297408 /nfs/dbraw/zinc/29/74/08/203297408.db2.gz PNBLKTKACYOWHB-UHFFFAOYSA-N 2 2 223.364 2.473 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459412231 203277872 /nfs/dbraw/zinc/27/78/72/203277872.db2.gz RFBZBCPCLDVBIF-YPMHNXCESA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459412231 203277876 /nfs/dbraw/zinc/27/78/76/203277876.db2.gz RFBZBCPCLDVBIF-YPMHNXCESA-N 2 2 221.348 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000459440112 203282213 /nfs/dbraw/zinc/28/22/13/203282213.db2.gz JNHKCNKZXNGLIV-GFCCVEGCSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000459440112 203282216 /nfs/dbraw/zinc/28/22/16/203282216.db2.gz JNHKCNKZXNGLIV-GFCCVEGCSA-N 2 2 235.375 2.473 20 0 BEADLP FC(F)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000459551416 203297650 /nfs/dbraw/zinc/29/76/50/203297650.db2.gz WBOCKOKWYRMJQX-UHFFFAOYSA-N 2 2 243.282 2.289 20 0 BEADLP CC(C)(C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108424016 369394532 /nfs/dbraw/zinc/39/45/32/369394532.db2.gz KZWQZLDLMSYDCU-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108424016 369394537 /nfs/dbraw/zinc/39/45/37/369394537.db2.gz KZWQZLDLMSYDCU-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP COCC1(C)C[NH+](CCCc2ccc(C)[nH+]c2)C1 ZINC000459618602 203319422 /nfs/dbraw/zinc/31/94/22/203319422.db2.gz CPLMNBXWYSXEFN-UHFFFAOYSA-N 2 2 248.370 2.291 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000459653158 203328486 /nfs/dbraw/zinc/32/84/86/203328486.db2.gz CWDLCAFISZFDRL-UHFFFAOYSA-N 2 2 233.359 2.275 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631858543 369443588 /nfs/dbraw/zinc/44/35/88/369443588.db2.gz AAOUMPGBFZSKHA-KGLIPLIRSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631858543 369443590 /nfs/dbraw/zinc/44/35/90/369443590.db2.gz AAOUMPGBFZSKHA-KGLIPLIRSA-N 2 2 248.370 2.185 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2C2CC2)c1 ZINC000459657524 203331568 /nfs/dbraw/zinc/33/15/68/203331568.db2.gz IDLPINMCUQRMLW-KGLIPLIRSA-N 2 2 233.359 2.131 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459664814 203333812 /nfs/dbraw/zinc/33/38/12/203333812.db2.gz QDWVPROJRWBFDK-LLVKDONJSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[N@@H+]1C1CC1 ZINC000459779848 203366060 /nfs/dbraw/zinc/36/60/60/203366060.db2.gz WYSQNCODKGTYHZ-FPVZYODXSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C[N@H+]1C1CC1 ZINC000459779848 203366064 /nfs/dbraw/zinc/36/60/64/203366064.db2.gz WYSQNCODKGTYHZ-FPVZYODXSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2o1 ZINC000631863092 369596666 /nfs/dbraw/zinc/59/66/66/369596666.db2.gz XKKSFSHFSZHWNX-JQWIXIFHSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1cc2ccccc2o1 ZINC000631863092 369596671 /nfs/dbraw/zinc/59/66/71/369596671.db2.gz XKKSFSHFSZHWNX-JQWIXIFHSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cc2ccccc2o1 ZINC000631863095 369598751 /nfs/dbraw/zinc/59/87/51/369598751.db2.gz XKKSFSHFSZHWNX-ZYHUDNBSSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cc2ccccc2o1 ZINC000631863095 369598755 /nfs/dbraw/zinc/59/87/55/369598755.db2.gz XKKSFSHFSZHWNX-ZYHUDNBSSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+]1C1CC1 ZINC000621377730 370319930 /nfs/dbraw/zinc/31/99/30/370319930.db2.gz FFAOBRCRYNJTMS-MXWKQRLJSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+]1C1CC1 ZINC000621377730 370319932 /nfs/dbraw/zinc/31/99/32/370319932.db2.gz FFAOBRCRYNJTMS-MXWKQRLJSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+]1C1CC1 ZINC000621377729 370320153 /nfs/dbraw/zinc/32/01/53/370320153.db2.gz FFAOBRCRYNJTMS-GMTAPVOTSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+]1C1CC1 ZINC000621377729 370320158 /nfs/dbraw/zinc/32/01/58/370320158.db2.gz FFAOBRCRYNJTMS-GMTAPVOTSA-N 2 2 244.329 2.247 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CC(C)(C)C ZINC000112376717 370290261 /nfs/dbraw/zinc/29/02/61/370290261.db2.gz VCPJUXDWWFLHQW-UHFFFAOYSA-N 2 2 200.370 2.354 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CC(C)(C)C ZINC000112376717 370290267 /nfs/dbraw/zinc/29/02/67/370290267.db2.gz VCPJUXDWWFLHQW-UHFFFAOYSA-N 2 2 200.370 2.354 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000621383992 370328458 /nfs/dbraw/zinc/32/84/58/370328458.db2.gz WPRANLIAOJAMIQ-MVKMKZAISA-N 2 2 222.376 2.247 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000621383992 370328460 /nfs/dbraw/zinc/32/84/60/370328460.db2.gz WPRANLIAOJAMIQ-MVKMKZAISA-N 2 2 222.376 2.247 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000621739802 370497057 /nfs/dbraw/zinc/49/70/57/370497057.db2.gz YLLJKMWTMHGBIU-QKVQEHJESA-N 2 2 222.376 2.105 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000621739802 370497059 /nfs/dbraw/zinc/49/70/59/370497059.db2.gz YLLJKMWTMHGBIU-QKVQEHJESA-N 2 2 222.376 2.105 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784716 370537492 /nfs/dbraw/zinc/53/74/92/370537492.db2.gz UFVFFHLFVGWXQZ-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784716 370537497 /nfs/dbraw/zinc/53/74/97/370537497.db2.gz UFVFFHLFVGWXQZ-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621776061 370524699 /nfs/dbraw/zinc/52/46/99/370524699.db2.gz BAHNCLGMLXWBQD-VXGBXAGGSA-N 2 2 239.750 2.095 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC000624101012 371306177 /nfs/dbraw/zinc/30/61/77/371306177.db2.gz DYOPRTNQWBYDNU-TZMCWYRMSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(C)n1 ZINC000624101012 371306183 /nfs/dbraw/zinc/30/61/83/371306183.db2.gz DYOPRTNQWBYDNU-TZMCWYRMSA-N 2 2 247.386 2.443 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000624101137 371306863 /nfs/dbraw/zinc/30/68/63/371306863.db2.gz LHHNIGNUTDOLGM-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000624101137 371306867 /nfs/dbraw/zinc/30/68/67/371306867.db2.gz LHHNIGNUTDOLGM-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC000624270414 371452497 /nfs/dbraw/zinc/45/24/97/371452497.db2.gz QODVNPOHHQVYKJ-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC000624270414 371452498 /nfs/dbraw/zinc/45/24/98/371452498.db2.gz QODVNPOHHQVYKJ-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271926 371453345 /nfs/dbraw/zinc/45/33/45/371453345.db2.gz MTULLIHLWIUHRG-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271926 371453350 /nfs/dbraw/zinc/45/33/50/371453350.db2.gz MTULLIHLWIUHRG-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)C ZINC000163792140 372055846 /nfs/dbraw/zinc/05/58/46/372055846.db2.gz LMBRWRWQCXENQA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)C ZINC000163792140 372055854 /nfs/dbraw/zinc/05/58/54/372055854.db2.gz LMBRWRWQCXENQA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000631207533 372237442 /nfs/dbraw/zinc/23/74/42/372237442.db2.gz VITMQSXSZPBYQE-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000631207533 372237446 /nfs/dbraw/zinc/23/74/46/372237446.db2.gz VITMQSXSZPBYQE-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)CC2CCC2)n1C ZINC000631251002 372255712 /nfs/dbraw/zinc/25/57/12/372255712.db2.gz ROGZCXSLADRADU-SNVBAGLBSA-N 2 2 221.348 2.397 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631250832 372258755 /nfs/dbraw/zinc/25/87/55/372258755.db2.gz PJTLHIQZRMMOPR-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP CCC1([NH+](C)C)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000631477765 372385896 /nfs/dbraw/zinc/38/58/96/372385896.db2.gz RCZHTLHXLTZPME-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](CC2CCCC2)C1 ZINC000631833577 372618915 /nfs/dbraw/zinc/61/89/15/372618915.db2.gz DAILNHZPOCVXIS-CYBMUJFWSA-N 2 2 210.365 2.380 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](CC2CCCC2)C1 ZINC000631833577 372618918 /nfs/dbraw/zinc/61/89/18/372618918.db2.gz DAILNHZPOCVXIS-CYBMUJFWSA-N 2 2 210.365 2.380 20 0 BEADLP Cc1cc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)ccn1 ZINC000631835149 372621000 /nfs/dbraw/zinc/62/10/00/372621000.db2.gz NPUKSJPJJKKGBU-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cc(C[N@H+]2CCCCC[C@H]([NH3+])C2)ccn1 ZINC000631835149 372621007 /nfs/dbraw/zinc/62/10/07/372621007.db2.gz NPUKSJPJJKKGBU-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861298 372661642 /nfs/dbraw/zinc/66/16/42/372661642.db2.gz YVYCTCHRMKETQZ-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631861298 372661648 /nfs/dbraw/zinc/66/16/48/372661648.db2.gz YVYCTCHRMKETQZ-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861557 372661735 /nfs/dbraw/zinc/66/17/35/372661735.db2.gz DHCBVCLXUYVERH-ZYHUDNBSSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861557 372661739 /nfs/dbraw/zinc/66/17/39/372661739.db2.gz DHCBVCLXUYVERH-ZYHUDNBSSA-N 2 2 236.384 2.330 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000631862534 372664990 /nfs/dbraw/zinc/66/49/90/372664990.db2.gz QVVXZFNZBXVKRU-PWSUYJOCSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000631862534 372664993 /nfs/dbraw/zinc/66/49/93/372664993.db2.gz QVVXZFNZBXVKRU-PWSUYJOCSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869831 372673835 /nfs/dbraw/zinc/67/38/35/372673835.db2.gz WQMDCZKQDLZRMD-CABCVRRESA-N 2 2 230.355 2.227 20 0 BEADLP CC[C@]1(C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459374413 206125398 /nfs/dbraw/zinc/12/53/98/206125398.db2.gz UNHHAKOHPIHYGL-CYBMUJFWSA-N 2 2 221.348 2.085 20 0 BEADLP CC[C@]1(C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459374413 206125402 /nfs/dbraw/zinc/12/54/02/206125402.db2.gz UNHHAKOHPIHYGL-CYBMUJFWSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[C@H]1C[N@H+](CCC[NH+](CC)CC)CCO1 ZINC000191817034 259578983 /nfs/dbraw/zinc/57/89/83/259578983.db2.gz UUSSBXOCRPQXHK-AWEZNQCLSA-N 2 2 242.407 2.219 20 0 BEADLP CCC[C@H]1C[N@@H+](CCC[NH+](CC)CC)CCO1 ZINC000191817034 259578984 /nfs/dbraw/zinc/57/89/84/259578984.db2.gz UUSSBXOCRPQXHK-AWEZNQCLSA-N 2 2 242.407 2.219 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000178681302 134313003 /nfs/dbraw/zinc/31/30/03/134313003.db2.gz FBARFKMJNCKNTR-KGLIPLIRSA-N 2 2 244.423 2.367 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[NH+]1CCCCC1 ZINC000128258198 169003750 /nfs/dbraw/zinc/00/37/50/169003750.db2.gz ZWFPUMUUYPRYMR-CQSZACIVSA-N 2 2 242.407 2.267 20 0 BEADLP CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285773479 169074851 /nfs/dbraw/zinc/07/48/51/169074851.db2.gz SXUVHVFYKAQUOX-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285773479 169074852 /nfs/dbraw/zinc/07/48/52/169074852.db2.gz SXUVHVFYKAQUOX-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285773479 169074853 /nfs/dbraw/zinc/07/48/53/169074853.db2.gz SXUVHVFYKAQUOX-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285773479 169074855 /nfs/dbraw/zinc/07/48/55/169074855.db2.gz SXUVHVFYKAQUOX-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[N@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+]C1 ZINC000071314650 169177932 /nfs/dbraw/zinc/17/79/32/169177932.db2.gz ZPFNSVZAXDRQPT-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+]C1 ZINC000071314650 169177933 /nfs/dbraw/zinc/17/79/33/169177933.db2.gz ZPFNSVZAXDRQPT-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000062103452 169188139 /nfs/dbraw/zinc/18/81/39/169188139.db2.gz JJTSPYPQXXRWEO-UHFFFAOYSA-N 2 2 222.332 2.244 20 0 BEADLP c1c[nH+]c([C@@H]2CCCN2CC[NH+]2CCCCC2)[nH]1 ZINC000374878965 183326884 /nfs/dbraw/zinc/32/68/84/183326884.db2.gz QSVAYHOTEIUBQT-ZDUSSCGKSA-N 2 2 248.374 2.033 20 0 BEADLP CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123610929 169195384 /nfs/dbraw/zinc/19/53/84/169195384.db2.gz UMTCCKFEQAFXRB-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123610929 169195385 /nfs/dbraw/zinc/19/53/85/169195385.db2.gz UMTCCKFEQAFXRB-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340393120 169196402 /nfs/dbraw/zinc/19/64/02/169196402.db2.gz JGQBXUOWNHQEMQ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340393120 169196404 /nfs/dbraw/zinc/19/64/04/169196404.db2.gz JGQBXUOWNHQEMQ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000353971148 169197459 /nfs/dbraw/zinc/19/74/59/169197459.db2.gz IJRHYADKCQAJFC-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000353971148 169197460 /nfs/dbraw/zinc/19/74/60/169197460.db2.gz IJRHYADKCQAJFC-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156434191 169205502 /nfs/dbraw/zinc/20/55/02/169205502.db2.gz ZCDDWTMMFFIMPY-VXGBXAGGSA-N 2 2 207.321 2.176 20 0 BEADLP CCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156434191 169205504 /nfs/dbraw/zinc/20/55/04/169205504.db2.gz ZCDDWTMMFFIMPY-VXGBXAGGSA-N 2 2 207.321 2.176 20 0 BEADLP CCC[N@H+](Cc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000070901902 169179246 /nfs/dbraw/zinc/17/92/46/169179246.db2.gz QXESXBQMCQSBGQ-GFCCVEGCSA-N 2 2 224.373 2.322 20 0 BEADLP CCC[N@@H+](Cc1ccsc1)[C@@H]1CC[NH2+]C1 ZINC000070901902 169179247 /nfs/dbraw/zinc/17/92/47/169179247.db2.gz QXESXBQMCQSBGQ-GFCCVEGCSA-N 2 2 224.373 2.322 20 0 BEADLP c1c[nH+]c(C2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000267507244 183340456 /nfs/dbraw/zinc/34/04/56/183340456.db2.gz XRXKAMRIULEARG-UHFFFAOYSA-N 2 2 242.326 2.184 20 0 BEADLP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063188423 183342500 /nfs/dbraw/zinc/34/25/00/183342500.db2.gz OPWCHYHNSMBMQO-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063188423 183342502 /nfs/dbraw/zinc/34/25/02/183342502.db2.gz OPWCHYHNSMBMQO-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(F)cc1C ZINC000161362822 169258985 /nfs/dbraw/zinc/25/89/85/169258985.db2.gz YXVFLJWVOSSCTE-UHFFFAOYSA-N 2 2 224.323 2.223 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)cc1 ZINC000058844491 169259599 /nfs/dbraw/zinc/25/95/99/169259599.db2.gz WJJIYSAHQZLDSH-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP c1cc(O[C@@H]2CC[N@@H+](CCC3CC3)C2)cc[nH+]1 ZINC000336705619 183360805 /nfs/dbraw/zinc/36/08/05/183360805.db2.gz COUFWHLCQRNBHK-CQSZACIVSA-N 2 2 232.327 2.335 20 0 BEADLP c1cc(O[C@@H]2CC[N@H+](CCC3CC3)C2)cc[nH+]1 ZINC000336705619 183360806 /nfs/dbraw/zinc/36/08/06/183360806.db2.gz COUFWHLCQRNBHK-CQSZACIVSA-N 2 2 232.327 2.335 20 0 BEADLP c1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123566218 183393745 /nfs/dbraw/zinc/39/37/45/183393745.db2.gz UYWZNSUUKWLBHD-CABCVRRESA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123566218 183393750 /nfs/dbraw/zinc/39/37/50/183393750.db2.gz UYWZNSUUKWLBHD-CABCVRRESA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)nc1 ZINC000356859479 183396131 /nfs/dbraw/zinc/39/61/31/183396131.db2.gz XZQIEYZRRBOSJE-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP CCCOc1cccc(C[NH2+]CC[NH2+]CC)c1 ZINC000228714795 169325485 /nfs/dbraw/zinc/32/54/85/169325485.db2.gz VRFKOXJHNZFLNC-UHFFFAOYSA-N 2 2 236.359 2.175 20 0 BEADLP CCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042546100 169325531 /nfs/dbraw/zinc/32/55/31/169325531.db2.gz CASLEJGPJOUKFE-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042546100 169325532 /nfs/dbraw/zinc/32/55/32/169325532.db2.gz CASLEJGPJOUKFE-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[C@@H](C)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000308968709 169358662 /nfs/dbraw/zinc/35/86/62/169358662.db2.gz XQODGUZPNTVWCL-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000125084665 169378411 /nfs/dbraw/zinc/37/84/11/169378411.db2.gz MJVPGRPKTHKDEI-LLVKDONJSA-N 2 2 200.370 2.495 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000309937496 169380313 /nfs/dbraw/zinc/38/03/13/169380313.db2.gz AJTMUYHSJUSCKZ-VXGBXAGGSA-N 2 2 221.348 2.366 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000309937491 169380412 /nfs/dbraw/zinc/38/04/12/169380412.db2.gz AJTMUYHSJUSCKZ-NEPJUHHUSA-N 2 2 221.348 2.366 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CC[NH+](CC)CC)C1(C)C ZINC000085379338 134344022 /nfs/dbraw/zinc/34/40/22/134344022.db2.gz ZOBVDCQSAVHTHK-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CCOCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224841897 134348330 /nfs/dbraw/zinc/34/83/30/134348330.db2.gz PKLIUICBXOBXRA-ZIAGYGMSSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224841897 134348331 /nfs/dbraw/zinc/34/83/31/134348331.db2.gz PKLIUICBXOBXRA-ZIAGYGMSSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000226017039 134358474 /nfs/dbraw/zinc/35/84/74/134358474.db2.gz WYEIWLSRMYLTKX-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000226017039 134358475 /nfs/dbraw/zinc/35/84/75/134358475.db2.gz WYEIWLSRMYLTKX-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CCC(CC)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131943904 383908640 /nfs/dbraw/zinc/90/86/40/383908640.db2.gz AQQCETSLQMXRSY-JQWIXIFHSA-N 2 2 210.365 2.390 20 0 BEADLP CCC(CC)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131943904 383908642 /nfs/dbraw/zinc/90/86/42/383908642.db2.gz AQQCETSLQMXRSY-JQWIXIFHSA-N 2 2 210.365 2.390 20 0 BEADLP CC(C)CCC[NH2+]CCCn1cc[nH+]c1 ZINC000049328058 383888822 /nfs/dbraw/zinc/88/88/22/383888822.db2.gz OPMVELIKDXYXOE-UHFFFAOYSA-N 2 2 209.337 2.299 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1CCOCC1 ZINC000558401288 383984314 /nfs/dbraw/zinc/98/43/14/383984314.db2.gz IWQBOAOSHDCSSJ-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1CCOCC1 ZINC000558401288 383984316 /nfs/dbraw/zinc/98/43/16/383984316.db2.gz IWQBOAOSHDCSSJ-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP COC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000089668360 383986572 /nfs/dbraw/zinc/98/65/72/383986572.db2.gz LTKURQYHGLVOKW-HNNXBMFYSA-N 2 2 248.370 2.058 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000037649098 383992353 /nfs/dbraw/zinc/99/23/53/383992353.db2.gz QIYNEAXCBTWPQI-VXGBXAGGSA-N 2 2 234.343 2.415 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649098 383992357 /nfs/dbraw/zinc/99/23/57/383992357.db2.gz QIYNEAXCBTWPQI-VXGBXAGGSA-N 2 2 234.343 2.415 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000293863167 383976497 /nfs/dbraw/zinc/97/64/97/383976497.db2.gz XVXLBEHHBLOBKC-FRRDWIJNSA-N 2 2 236.359 2.406 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000293863167 383976503 /nfs/dbraw/zinc/97/65/03/383976503.db2.gz XVXLBEHHBLOBKC-FRRDWIJNSA-N 2 2 236.359 2.406 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227599889 134387146 /nfs/dbraw/zinc/38/71/46/134387146.db2.gz NCZOFTCWJOIWLV-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000185644115 134388030 /nfs/dbraw/zinc/38/80/30/134388030.db2.gz WAKQRAMYRVBLNN-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000185644115 134388033 /nfs/dbraw/zinc/38/80/33/134388033.db2.gz WAKQRAMYRVBLNN-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000163178850 384067716 /nfs/dbraw/zinc/06/77/16/384067716.db2.gz QQKRNXZNTYMRFW-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000163178850 384067722 /nfs/dbraw/zinc/06/77/22/384067722.db2.gz QQKRNXZNTYMRFW-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1nccs1 ZINC000070733132 384133773 /nfs/dbraw/zinc/13/37/73/384133773.db2.gz FKZKRGINRFISQP-NSHDSACASA-N 2 2 239.388 2.280 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CC3)CCC1 ZINC000569501528 384135667 /nfs/dbraw/zinc/13/56/67/384135667.db2.gz CWOSAYRRUIHYDO-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000116381112 384131405 /nfs/dbraw/zinc/13/14/05/384131405.db2.gz ZCOVMVRHIVVOSK-CQSZACIVSA-N 2 2 220.360 2.159 20 0 BEADLP CC1(C)CC([NH2+]CC[NH+]2CCCCC2)C1 ZINC000309155620 384163063 /nfs/dbraw/zinc/16/30/63/384163063.db2.gz XIWLKTAZQCNOIV-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313257242 384166273 /nfs/dbraw/zinc/16/62/73/384166273.db2.gz VKEMAKXJYVFAHV-NSHDSACASA-N 2 2 209.337 2.131 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000132384989 384185889 /nfs/dbraw/zinc/18/58/89/384185889.db2.gz QMTNPYHILPDMPL-MNOVXSKESA-N 2 2 207.321 2.050 20 0 BEADLP CC1CCC([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313266281 384183729 /nfs/dbraw/zinc/18/37/29/384183729.db2.gz QWWFLDBLBYKLEH-UHFFFAOYSA-N 2 2 221.348 2.131 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000133188347 384231146 /nfs/dbraw/zinc/23/11/46/384231146.db2.gz WYQUZDYCPDNWLG-GFCCVEGCSA-N 2 2 224.373 2.159 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000133188347 384231156 /nfs/dbraw/zinc/23/11/56/384231156.db2.gz WYQUZDYCPDNWLG-GFCCVEGCSA-N 2 2 224.373 2.159 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313292345 384236651 /nfs/dbraw/zinc/23/66/51/384236651.db2.gz HTGPYDMELFNXKV-QWHCGFSZSA-N 2 2 235.375 2.379 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000133295096 384238693 /nfs/dbraw/zinc/23/86/93/384238693.db2.gz AMTGXEOZHNHFGG-LLVKDONJSA-N 2 2 209.337 2.297 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313276652 384214996 /nfs/dbraw/zinc/21/49/96/384214996.db2.gz YLIHCEVJIZNTMM-VXGBXAGGSA-N 2 2 235.375 2.377 20 0 BEADLP c1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000082369463 384255423 /nfs/dbraw/zinc/25/54/23/384255423.db2.gz RZOUQGOZESDBOJ-CQSZACIVSA-N 2 2 216.328 2.015 20 0 BEADLP c1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000082369463 384255430 /nfs/dbraw/zinc/25/54/30/384255430.db2.gz RZOUQGOZESDBOJ-CQSZACIVSA-N 2 2 216.328 2.015 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000644166663 384255693 /nfs/dbraw/zinc/25/56/93/384255693.db2.gz PEEUVSTVOVMTMZ-FBIMIBRVSA-N 2 2 239.388 2.372 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000235516234 384258906 /nfs/dbraw/zinc/25/89/06/384258906.db2.gz ARICLCQGZDSLTI-GXFFZTMASA-N 2 2 222.307 2.228 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC000082836984 384270364 /nfs/dbraw/zinc/27/03/64/384270364.db2.gz WWUVNHBQUAPBAX-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000083056016 384278159 /nfs/dbraw/zinc/27/81/59/384278159.db2.gz AINNOVRDOBGFJC-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c(C)[nH+]1 ZINC000094666074 384310186 /nfs/dbraw/zinc/31/01/86/384310186.db2.gz KLRIXTBZCAXZKX-RYUDHWBXSA-N 2 2 247.342 2.154 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000095072297 384343621 /nfs/dbraw/zinc/34/36/21/384343621.db2.gz FGJWOBDSUVQGJH-RKDXNWHRSA-N 2 2 245.779 2.156 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000335602629 384372629 /nfs/dbraw/zinc/37/26/29/384372629.db2.gz ZXTBMSGCNJBWJI-JOYOIKCWSA-N 2 2 219.332 2.045 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000335602629 384372632 /nfs/dbraw/zinc/37/26/32/384372632.db2.gz ZXTBMSGCNJBWJI-JOYOIKCWSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000335644256 384415799 /nfs/dbraw/zinc/41/57/99/384415799.db2.gz RYIMZEHQRKLQTP-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135150903 384419902 /nfs/dbraw/zinc/41/99/02/384419902.db2.gz MYVGZZOLTHUVBG-QWHCGFSZSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135150903 384419908 /nfs/dbraw/zinc/41/99/08/384419908.db2.gz MYVGZZOLTHUVBG-QWHCGFSZSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC[NH+]1CCCCC1 ZINC000449222045 384423740 /nfs/dbraw/zinc/42/37/40/384423740.db2.gz VIFKVEAPTMVSPO-ZDUSSCGKSA-N 2 2 236.359 2.286 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC(F)F ZINC000647225865 384375236 /nfs/dbraw/zinc/37/52/36/384375236.db2.gz GOWQIHIDASLHKR-AXFHLTTASA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC(F)F ZINC000647225865 384375243 /nfs/dbraw/zinc/37/52/43/384375243.db2.gz GOWQIHIDASLHKR-AXFHLTTASA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000229598240 384384980 /nfs/dbraw/zinc/38/49/80/384384980.db2.gz COKMHTDLHSXERR-QWRGUYRKSA-N 2 2 244.342 2.126 20 0 BEADLP Cn1c2ccccc2[nH+]c1NCC[NH+]1CCCC1 ZINC000079046943 384483281 /nfs/dbraw/zinc/48/32/81/384483281.db2.gz VNZPQZLIPIGFMK-UHFFFAOYSA-N 2 2 244.342 2.081 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000335034038 384505583 /nfs/dbraw/zinc/50/55/83/384505583.db2.gz UCJGVETWHRYTFA-GXTWGEPZSA-N 2 2 234.318 2.155 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335039992 384506861 /nfs/dbraw/zinc/50/68/61/384506861.db2.gz FXZKOBOQUHWUGQ-TZMCWYRMSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000083391066 384488233 /nfs/dbraw/zinc/48/82/33/384488233.db2.gz GAYSFLBUQHXWRM-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000019398251 384519051 /nfs/dbraw/zinc/51/90/51/384519051.db2.gz HQHPPTRZIAGMNY-GFCCVEGCSA-N 2 2 220.360 2.461 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449555370 384523378 /nfs/dbraw/zinc/52/33/78/384523378.db2.gz RIGKPOJMIGOKGN-OSFYFWSMSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449555370 384523381 /nfs/dbraw/zinc/52/33/81/384523381.db2.gz RIGKPOJMIGOKGN-OSFYFWSMSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CC1)[NH+](C)C ZINC000449554139 384525879 /nfs/dbraw/zinc/52/58/79/384525879.db2.gz ASONWXPUFZIHRQ-IACUBPJLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000334758414 384526031 /nfs/dbraw/zinc/52/60/31/384526031.db2.gz VQRYYDKTYQVHFZ-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000334758414 384526033 /nfs/dbraw/zinc/52/60/33/384526033.db2.gz VQRYYDKTYQVHFZ-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000049574918 384550145 /nfs/dbraw/zinc/55/01/45/384550145.db2.gz DZFOWRRBJIYFKQ-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cnc2ccccc2c1 ZINC000305900163 384553001 /nfs/dbraw/zinc/55/30/01/384553001.db2.gz ARXYDJPLDJFFJO-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cnc2ccccc2c1 ZINC000305900163 384553006 /nfs/dbraw/zinc/55/30/06/384553006.db2.gz ARXYDJPLDJFFJO-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CCC[N@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000305966320 384558589 /nfs/dbraw/zinc/55/85/89/384558589.db2.gz JGSTUJHMYHSDQH-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP CCC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000305966320 384558599 /nfs/dbraw/zinc/55/85/99/384558599.db2.gz JGSTUJHMYHSDQH-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066100 384579923 /nfs/dbraw/zinc/57/99/23/384579923.db2.gz KEOAVPXVJWNTDZ-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066100 384579933 /nfs/dbraw/zinc/57/99/33/384579933.db2.gz KEOAVPXVJWNTDZ-JKSUJKDBSA-N 2 2 244.382 2.433 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066950 384580412 /nfs/dbraw/zinc/58/04/12/384580412.db2.gz VWJIKJZSBMJYAQ-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066950 384580423 /nfs/dbraw/zinc/58/04/23/384580423.db2.gz VWJIKJZSBMJYAQ-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067886 384583890 /nfs/dbraw/zinc/58/38/90/384583890.db2.gz ABOJNJTXRPWHMT-VHDGCEQUSA-N 2 2 230.355 2.431 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067886 384583899 /nfs/dbraw/zinc/58/38/99/384583899.db2.gz ABOJNJTXRPWHMT-VHDGCEQUSA-N 2 2 230.355 2.431 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068794 384584517 /nfs/dbraw/zinc/58/45/17/384584517.db2.gz LJQBSDMLUVZGNJ-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068794 384584518 /nfs/dbraw/zinc/58/45/18/384584518.db2.gz LJQBSDMLUVZGNJ-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230506 384586581 /nfs/dbraw/zinc/58/65/81/384586581.db2.gz UXPMOGJWJUJKEL-DTZQCDIJSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230506 384586585 /nfs/dbraw/zinc/58/65/85/384586585.db2.gz UXPMOGJWJUJKEL-DTZQCDIJSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230508 384587250 /nfs/dbraw/zinc/58/72/50/384587250.db2.gz UXPMOGJWJUJKEL-XZDPQHSOSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000647230508 384587258 /nfs/dbraw/zinc/58/72/58/384587258.db2.gz UXPMOGJWJUJKEL-XZDPQHSOSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600312 384591093 /nfs/dbraw/zinc/59/10/93/384591093.db2.gz JHWVPVWHJYBGIB-VXGBXAGGSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600312 384591100 /nfs/dbraw/zinc/59/11/00/384591100.db2.gz JHWVPVWHJYBGIB-VXGBXAGGSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccn1 ZINC000020506282 384620687 /nfs/dbraw/zinc/62/06/87/384620687.db2.gz WLSSOLNFMVQOJZ-GFCCVEGCSA-N 2 2 230.315 2.019 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000036888772 384625930 /nfs/dbraw/zinc/62/59/30/384625930.db2.gz KGAWCGMMNJYALW-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000036888772 384625938 /nfs/dbraw/zinc/62/59/38/384625938.db2.gz KGAWCGMMNJYALW-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000647532814 384638414 /nfs/dbraw/zinc/63/84/14/384638414.db2.gz DWDDWQCHYNKQNB-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000647532814 384638419 /nfs/dbraw/zinc/63/84/19/384638419.db2.gz DWDDWQCHYNKQNB-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533316 384643124 /nfs/dbraw/zinc/64/31/24/384643124.db2.gz PGORYJRJPWWTLE-NWDGAFQWSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533316 384643129 /nfs/dbraw/zinc/64/31/29/384643129.db2.gz PGORYJRJPWWTLE-NWDGAFQWSA-N 2 2 236.384 2.240 20 0 BEADLP CCC(CC)[N@H+](CC(C)C)C[C@@H](C)[NH3+] ZINC000086453436 384650789 /nfs/dbraw/zinc/65/07/89/384650789.db2.gz GBCFQKNJUWRLPQ-LLVKDONJSA-N 2 2 200.370 2.480 20 0 BEADLP CCC(CC)[N@@H+](CC(C)C)C[C@@H](C)[NH3+] ZINC000086453436 384650796 /nfs/dbraw/zinc/65/07/96/384650796.db2.gz GBCFQKNJUWRLPQ-LLVKDONJSA-N 2 2 200.370 2.480 20 0 BEADLP c1coc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353214 384653758 /nfs/dbraw/zinc/65/37/58/384653758.db2.gz UHPDKWAAYOGXPU-UHFFFAOYSA-N 2 2 219.288 2.046 20 0 BEADLP CSCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000173370234 384676895 /nfs/dbraw/zinc/67/68/95/384676895.db2.gz UXXSZVLHGRJMSZ-UHFFFAOYSA-N 2 2 239.388 2.273 20 0 BEADLP CC(C)CCC[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000053389626 384714825 /nfs/dbraw/zinc/71/48/25/384714825.db2.gz KAXMEBCQLAZYTC-ZDUSSCGKSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)CCC[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000053389626 384714835 /nfs/dbraw/zinc/71/48/35/384714835.db2.gz KAXMEBCQLAZYTC-ZDUSSCGKSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)CCC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000053389624 384717340 /nfs/dbraw/zinc/71/73/40/384717340.db2.gz KAXMEBCQLAZYTC-CYBMUJFWSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)CCC[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000053389624 384717345 /nfs/dbraw/zinc/71/73/45/384717345.db2.gz KAXMEBCQLAZYTC-CYBMUJFWSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nccs1 ZINC000083142224 384746015 /nfs/dbraw/zinc/74/60/15/384746015.db2.gz SGNIBIAZLZGYSQ-JTQLQIEISA-N 2 2 241.404 2.382 20 0 BEADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000057953716 384748361 /nfs/dbraw/zinc/74/83/61/384748361.db2.gz KELPQOLSBSDWPS-HNNXBMFYSA-N 2 2 232.371 2.386 20 0 BEADLP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000057953716 384748366 /nfs/dbraw/zinc/74/83/66/384748366.db2.gz KELPQOLSBSDWPS-HNNXBMFYSA-N 2 2 232.371 2.386 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423238912 384780283 /nfs/dbraw/zinc/78/02/83/384780283.db2.gz FUIMAZHCEDSYAZ-CYBMUJFWSA-N 2 2 222.307 2.012 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000226013953 384830377 /nfs/dbraw/zinc/83/03/77/384830377.db2.gz HXGYAJZAQWJKMO-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000226013953 384830384 /nfs/dbraw/zinc/83/03/84/384830384.db2.gz HXGYAJZAQWJKMO-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423355030 384834018 /nfs/dbraw/zinc/83/40/18/384834018.db2.gz DTNXMVDRJPCTAG-WKPIXPDZSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccc(N[C@@H](C)[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000335051596 384785353 /nfs/dbraw/zinc/78/53/53/384785353.db2.gz SQVFRGJUMYTJGJ-AAEUAGOBSA-N 2 2 219.332 2.333 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000622003953 384785955 /nfs/dbraw/zinc/78/59/55/384785955.db2.gz IFRAKZPNSQJQAG-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000622003953 384785960 /nfs/dbraw/zinc/78/59/60/384785960.db2.gz IFRAKZPNSQJQAG-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053389510 384788228 /nfs/dbraw/zinc/78/82/28/384788228.db2.gz KLHGQSTUQJYHDF-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053389510 384788232 /nfs/dbraw/zinc/78/82/32/384788232.db2.gz KLHGQSTUQJYHDF-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088401 384788932 /nfs/dbraw/zinc/78/89/32/384788932.db2.gz XLXBWJOJABZYHU-VXGBXAGGSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088403 384791326 /nfs/dbraw/zinc/79/13/26/384791326.db2.gz XLXBWJOJABZYHU-NEPJUHHUSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042439409 384797323 /nfs/dbraw/zinc/79/73/23/384797323.db2.gz JMRQMYDPFKBYMU-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042439409 384797326 /nfs/dbraw/zinc/79/73/26/384797326.db2.gz JMRQMYDPFKBYMU-SECBINFHSA-N 2 2 212.724 2.119 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000310036695 384801983 /nfs/dbraw/zinc/80/19/83/384801983.db2.gz UNGQLOKXKFWFQS-BLYZHGLHSA-N 2 2 224.392 2.493 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000310036695 384801986 /nfs/dbraw/zinc/80/19/86/384801986.db2.gz UNGQLOKXKFWFQS-BLYZHGLHSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000398211281 384845508 /nfs/dbraw/zinc/84/55/08/384845508.db2.gz SJCOQXGCGXWQOX-GXFFZTMASA-N 2 2 204.317 2.075 20 0 BEADLP CC[C@@](C)(C[NH2+]CCCCn1cc[nH+]c1)OC ZINC000318928634 384905721 /nfs/dbraw/zinc/90/57/21/384905721.db2.gz FCWOGPGSAVNZDM-ZDUSSCGKSA-N 2 2 239.363 2.068 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366207407 384919354 /nfs/dbraw/zinc/91/93/54/384919354.db2.gz AYLBTYDURKMVCJ-ZYHUDNBSSA-N 2 2 221.348 2.457 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000233900822 384923260 /nfs/dbraw/zinc/92/32/60/384923260.db2.gz WTRUFLKVLDMVES-UONOGXRCSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC000404415795 384980498 /nfs/dbraw/zinc/98/04/98/384980498.db2.gz NKHHZAHBBSUKNR-WDEREUQCSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)sn1 ZINC000404415795 384980502 /nfs/dbraw/zinc/98/05/02/384980502.db2.gz NKHHZAHBBSUKNR-WDEREUQCSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)sn1 ZINC000404421384 384991269 /nfs/dbraw/zinc/99/12/69/384991269.db2.gz CXAKYOQMYAGCSS-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)sn1 ZINC000404421384 384991272 /nfs/dbraw/zinc/99/12/72/384991272.db2.gz CXAKYOQMYAGCSS-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1Cl ZINC000086833119 385052710 /nfs/dbraw/zinc/05/27/10/385052710.db2.gz IZRHXGMIGQMYNK-SECBINFHSA-N 2 2 236.706 2.432 20 0 BEADLP Cc1ccc(NCc2c[nH+]cn2C)c(C)[nH+]1 ZINC000087151478 385079759 /nfs/dbraw/zinc/07/97/59/385079759.db2.gz MGVFQQMRUIEAHJ-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000336682022 385034268 /nfs/dbraw/zinc/03/42/68/385034268.db2.gz DEMMMGJMDWGFLX-NPZBDFSRSA-N 2 2 222.376 2.247 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000336682022 385034275 /nfs/dbraw/zinc/03/42/75/385034275.db2.gz DEMMMGJMDWGFLX-NPZBDFSRSA-N 2 2 222.376 2.247 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000151059289 385085537 /nfs/dbraw/zinc/08/55/37/385085537.db2.gz OCNCBDCJOLOLMD-UHFFFAOYSA-N 2 2 229.327 2.405 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000151059289 385085544 /nfs/dbraw/zinc/08/55/44/385085544.db2.gz OCNCBDCJOLOLMD-UHFFFAOYSA-N 2 2 229.327 2.405 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000647482278 385202163 /nfs/dbraw/zinc/20/21/63/385202163.db2.gz VIBQXPLUDXIMMX-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647482278 385202172 /nfs/dbraw/zinc/20/21/72/385202172.db2.gz VIBQXPLUDXIMMX-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)o1 ZINC000151967413 385146432 /nfs/dbraw/zinc/14/64/32/385146432.db2.gz LVIFNLMMMZAKTJ-NSHDSACASA-N 2 2 224.348 2.444 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(F)(F)CC1 ZINC000647303709 385148568 /nfs/dbraw/zinc/14/85/68/385148568.db2.gz JDXZDYKMJDRWPS-VIFPVBQESA-N 2 2 220.307 2.104 20 0 BEADLP C[C@H](C[NH2+]Cc1cc(F)ccc1F)C[NH+](C)C ZINC000291689421 385217866 /nfs/dbraw/zinc/21/78/66/385217866.db2.gz IXJCORRUCNCCQW-SNVBAGLBSA-N 2 2 242.313 2.252 20 0 BEADLP C[C@H](C[NH2+]Cc1ncc(Cl)s1)C[NH+](C)C ZINC000308875435 385243235 /nfs/dbraw/zinc/24/32/35/385243235.db2.gz CVOOGALRGCPFAE-MRVPVSSYSA-N 2 2 247.795 2.084 20 0 BEADLP C[C@@H](CCC1CCCC1)[NH2+]CC[NH+](C)C ZINC000308892735 385248416 /nfs/dbraw/zinc/24/84/16/385248416.db2.gz YHHWZFWPBSAFMX-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP c1[nH]c(C[NH2+][C@@H]2CC3CCC2CC3)c[nH+]1 ZINC000308948659 385309096 /nfs/dbraw/zinc/30/90/96/385309096.db2.gz TYVVEXGRARRUOY-RTYFJBAXSA-N 2 2 205.305 2.078 20 0 BEADLP Cc1ccncc1C[NH2+]CCc1cc[nH+]cc1C ZINC000280157019 385265101 /nfs/dbraw/zinc/26/51/01/385265101.db2.gz FMGIRAOEFCXUHG-UHFFFAOYSA-N 2 2 241.338 2.426 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000037712414 385269430 /nfs/dbraw/zinc/26/94/30/385269430.db2.gz RFVJDFIVZXANKM-MRVPVSSYSA-N 2 2 232.249 2.315 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)c1ccco1)C[NH+](C)C ZINC000308922695 385294068 /nfs/dbraw/zinc/29/40/68/385294068.db2.gz PHVSYKAOTHYMDL-QWRGUYRKSA-N 2 2 210.321 2.128 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154564743 385336518 /nfs/dbraw/zinc/33/65/18/385336518.db2.gz IYCDRNSJSPBEBK-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154564743 385336523 /nfs/dbraw/zinc/33/65/23/385336523.db2.gz IYCDRNSJSPBEBK-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000361926229 385344907 /nfs/dbraw/zinc/34/49/07/385344907.db2.gz QKIWNUZROBSWRE-YPMHNXCESA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000361926229 385344908 /nfs/dbraw/zinc/34/49/08/385344908.db2.gz QKIWNUZROBSWRE-YPMHNXCESA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC1(C)C ZINC000309025609 385366255 /nfs/dbraw/zinc/36/62/55/385366255.db2.gz ZRWCUNNTKVWRNG-WDEREUQCSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)C1CCC1 ZINC000309015071 385370717 /nfs/dbraw/zinc/37/07/17/385370717.db2.gz UCPPFCFXIMBAQU-GVXVVHGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)C1CCC1 ZINC000309015071 385370720 /nfs/dbraw/zinc/37/07/20/385370720.db2.gz UCPPFCFXIMBAQU-GVXVVHGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309056017 385387137 /nfs/dbraw/zinc/38/71/37/385387137.db2.gz ULNWOEKINDJTIM-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309120843 385423873 /nfs/dbraw/zinc/42/38/73/385423873.db2.gz NSLBQYBOMHFBCF-GHMZBOCLSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309120843 385423876 /nfs/dbraw/zinc/42/38/76/385423876.db2.gz NSLBQYBOMHFBCF-GHMZBOCLSA-N 2 2 224.373 2.096 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000309077460 385398484 /nfs/dbraw/zinc/39/84/84/385398484.db2.gz MFBIGHFCDAYCHS-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000309077460 385398488 /nfs/dbraw/zinc/39/84/88/385398488.db2.gz MFBIGHFCDAYCHS-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309074219 385405245 /nfs/dbraw/zinc/40/52/45/385405245.db2.gz IMGDYOUBFGGBFM-VXGBXAGGSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309074219 385405249 /nfs/dbraw/zinc/40/52/49/385405249.db2.gz IMGDYOUBFGGBFM-VXGBXAGGSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309074216 385405907 /nfs/dbraw/zinc/40/59/07/385405907.db2.gz IMGDYOUBFGGBFM-NEPJUHHUSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309074216 385405911 /nfs/dbraw/zinc/40/59/11/385405911.db2.gz IMGDYOUBFGGBFM-NEPJUHHUSA-N 2 2 212.381 2.208 20 0 BEADLP COC[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156229123 385442722 /nfs/dbraw/zinc/44/27/22/385442722.db2.gz BPSADGFLJNOMPJ-NSHDSACASA-N 2 2 247.342 2.120 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309167309 385447001 /nfs/dbraw/zinc/44/70/01/385447001.db2.gz JPWUYDUAIQWUBC-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309167309 385447006 /nfs/dbraw/zinc/44/70/06/385447006.db2.gz JPWUYDUAIQWUBC-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)CC ZINC000309193272 385456528 /nfs/dbraw/zinc/45/65/28/385456528.db2.gz QBGBRVJKHPNPEX-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000309193272 385456532 /nfs/dbraw/zinc/45/65/32/385456532.db2.gz QBGBRVJKHPNPEX-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[NH+]1CCCCCC1 ZINC000309144878 385434454 /nfs/dbraw/zinc/43/44/54/385434454.db2.gz UWKUIIFAZALRAX-OLZOCXBDSA-N 2 2 210.365 2.108 20 0 BEADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCSC1 ZINC000179681077 385484144 /nfs/dbraw/zinc/48/41/44/385484144.db2.gz OFRULRNXPJULJS-GFCCVEGCSA-N 2 2 247.367 2.272 20 0 BEADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCSC1 ZINC000179681077 385484147 /nfs/dbraw/zinc/48/41/47/385484147.db2.gz OFRULRNXPJULJS-GFCCVEGCSA-N 2 2 247.367 2.272 20 0 BEADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000179793013 385492095 /nfs/dbraw/zinc/49/20/95/385492095.db2.gz MSNRFOWQYIUDLG-UHFFFAOYSA-N 2 2 215.300 2.176 20 0 BEADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000179793013 385492098 /nfs/dbraw/zinc/49/20/98/385492098.db2.gz MSNRFOWQYIUDLG-UHFFFAOYSA-N 2 2 215.300 2.176 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336776939 385510361 /nfs/dbraw/zinc/51/03/61/385510361.db2.gz GYJWWWHCZGZQNI-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868234 385536658 /nfs/dbraw/zinc/53/66/58/385536658.db2.gz HDZCSLGEVUXOIA-QWHCGFSZSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868234 385536659 /nfs/dbraw/zinc/53/66/59/385536659.db2.gz HDZCSLGEVUXOIA-QWHCGFSZSA-N 2 2 249.358 2.008 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000309394676 385560881 /nfs/dbraw/zinc/56/08/81/385560881.db2.gz VAZZOPHAPQACJQ-GFJIZPEISA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000309394676 385560882 /nfs/dbraw/zinc/56/08/82/385560882.db2.gz VAZZOPHAPQACJQ-GFJIZPEISA-N 2 2 224.392 2.493 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H]1CC1(C)C)C1CC1 ZINC000309440453 385582926 /nfs/dbraw/zinc/58/29/26/385582926.db2.gz IIPKEQJIWCCEPD-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H]1CC1(C)C)C1CC1 ZINC000309440453 385582930 /nfs/dbraw/zinc/58/29/30/385582930.db2.gz IIPKEQJIWCCEPD-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182057271 385632414 /nfs/dbraw/zinc/63/24/14/385632414.db2.gz GIDLUPBZBXNXML-AWEZNQCLSA-N 2 2 234.387 2.407 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182057271 385632419 /nfs/dbraw/zinc/63/24/19/385632419.db2.gz GIDLUPBZBXNXML-AWEZNQCLSA-N 2 2 234.387 2.407 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000063191663 385609866 /nfs/dbraw/zinc/60/98/66/385609866.db2.gz LSEHYPHIDROMMD-ZYHUDNBSSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000063191663 385609873 /nfs/dbraw/zinc/60/98/73/385609873.db2.gz LSEHYPHIDROMMD-ZYHUDNBSSA-N 2 2 224.373 2.450 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000336682021 385639624 /nfs/dbraw/zinc/63/96/24/385639624.db2.gz DEMMMGJMDWGFLX-MLCFOIATSA-N 2 2 222.376 2.247 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000336682021 385639630 /nfs/dbraw/zinc/63/96/30/385639630.db2.gz DEMMMGJMDWGFLX-MLCFOIATSA-N 2 2 222.376 2.247 20 0 BEADLP CCC1CC([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000336733830 385647486 /nfs/dbraw/zinc/64/74/86/385647486.db2.gz KGHKSGRPPDGYIA-BPCQOVAHSA-N 2 2 242.432 2.202 20 0 BEADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCSC2)C1 ZINC000309516594 385650490 /nfs/dbraw/zinc/65/04/90/385650490.db2.gz YWSYYIXUGMDFAH-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCSC2)C1 ZINC000309516594 385650492 /nfs/dbraw/zinc/65/04/92/385650492.db2.gz YWSYYIXUGMDFAH-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC000054765343 385656481 /nfs/dbraw/zinc/65/64/81/385656481.db2.gz XAVPCWWOAGDSOO-JTQLQIEISA-N 2 2 207.321 2.468 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CS1 ZINC000336652891 385661475 /nfs/dbraw/zinc/66/14/75/385661475.db2.gz FULCXHXQEXTKEM-AVGNSLFASA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CS1 ZINC000336652891 385661482 /nfs/dbraw/zinc/66/14/82/385661482.db2.gz FULCXHXQEXTKEM-AVGNSLFASA-N 2 2 242.432 2.200 20 0 BEADLP CCC1CC([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000309538708 385673202 /nfs/dbraw/zinc/67/32/02/385673202.db2.gz FNWRMLWITGWLSZ-UHFFFAOYSA-N 2 2 222.376 2.417 20 0 BEADLP CCC1CC([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000309538708 385673204 /nfs/dbraw/zinc/67/32/04/385673204.db2.gz FNWRMLWITGWLSZ-UHFFFAOYSA-N 2 2 222.376 2.417 20 0 BEADLP CCCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414852821 385678405 /nfs/dbraw/zinc/67/84/05/385678405.db2.gz WLXUBLNVOQMCDH-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000309544253 385679328 /nfs/dbraw/zinc/67/93/28/385679328.db2.gz GMSBMPOOTCOAAU-MBNYWOFBSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000309544253 385679332 /nfs/dbraw/zinc/67/93/32/385679332.db2.gz GMSBMPOOTCOAAU-MBNYWOFBSA-N 2 2 218.344 2.287 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1ccsc1Cl ZINC000336653648 385700456 /nfs/dbraw/zinc/70/04/56/385700456.db2.gz LVQMICQZWLWNBG-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC12CCC2 ZINC000309572651 385703398 /nfs/dbraw/zinc/70/33/98/385703398.db2.gz NZPNXZHQQSJVEB-VXGBXAGGSA-N 2 2 219.332 2.194 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414857511 385730721 /nfs/dbraw/zinc/73/07/21/385730721.db2.gz DPIAYZHSNVBEMK-UHFFFAOYSA-N 2 2 241.404 2.140 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498100 385734953 /nfs/dbraw/zinc/73/49/53/385734953.db2.gz CTCDXKJIEMTFIQ-MWLCHTKSSA-N 2 2 247.367 2.309 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000414859071 385740567 /nfs/dbraw/zinc/74/05/67/385740567.db2.gz LYNBZYMBMYCRAJ-UHFFFAOYSA-N 2 2 241.404 2.140 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000336655635 385760762 /nfs/dbraw/zinc/76/07/62/385760762.db2.gz HPPSGFADDQUDHG-VXGBXAGGSA-N 2 2 244.448 2.446 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC000309675423 385781958 /nfs/dbraw/zinc/78/19/58/385781958.db2.gz LOOPTMYIULBACB-LLVKDONJSA-N 2 2 219.332 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CCCCC1)CC2 ZINC000309675423 385781962 /nfs/dbraw/zinc/78/19/62/385781962.db2.gz LOOPTMYIULBACB-LLVKDONJSA-N 2 2 219.332 2.189 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000414945421 385799635 /nfs/dbraw/zinc/79/96/35/385799635.db2.gz IHBOQVZPJSJIBO-DZGCQCFKSA-N 3 2 247.386 2.053 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000414945429 385800802 /nfs/dbraw/zinc/80/08/02/385800802.db2.gz IHBOQVZPJSJIBO-ZFWWWQNUSA-N 3 2 247.386 2.053 20 0 BEADLP CCCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414867874 385813405 /nfs/dbraw/zinc/81/34/05/385813405.db2.gz OYIDALJWIKJHII-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@]1(C)CCCO1 ZINC000340174187 385821355 /nfs/dbraw/zinc/82/13/55/385821355.db2.gz NABLBDGHVZDERN-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000414868646 385827363 /nfs/dbraw/zinc/82/73/63/385827363.db2.gz DWEYUPOYRCGOBJ-CHWSQXEVSA-N 2 2 242.407 2.027 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000340185118 385828696 /nfs/dbraw/zinc/82/86/96/385828696.db2.gz PNBSGAFRAXILLE-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000340185118 385828698 /nfs/dbraw/zinc/82/86/98/385828698.db2.gz PNBSGAFRAXILLE-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)C ZINC000084127156 385859270 /nfs/dbraw/zinc/85/92/70/385859270.db2.gz PFFKMOVUGOBJCZ-CHWSQXEVSA-N 2 2 212.381 2.480 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC000414953641 385833320 /nfs/dbraw/zinc/83/33/20/385833320.db2.gz JTVLLNSMLPNRNV-GFCCVEGCSA-N 2 2 220.360 2.337 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000271578773 385838611 /nfs/dbraw/zinc/83/86/11/385838611.db2.gz RQNNQBWHHNYOOY-RYUDHWBXSA-N 2 2 207.321 2.146 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000271578773 385838615 /nfs/dbraw/zinc/83/86/15/385838615.db2.gz RQNNQBWHHNYOOY-RYUDHWBXSA-N 2 2 207.321 2.146 20 0 BEADLP C[N@H+](CCNc1cc[nH+]c2ccncc12)C1CC1 ZINC000271584722 385840024 /nfs/dbraw/zinc/84/00/24/385840024.db2.gz FFNYMEJQLNQXRW-UHFFFAOYSA-N 2 2 242.326 2.136 20 0 BEADLP C[N@@H+](CCNc1cc[nH+]c2ccncc12)C1CC1 ZINC000271584722 385840028 /nfs/dbraw/zinc/84/00/28/385840028.db2.gz FFNYMEJQLNQXRW-UHFFFAOYSA-N 2 2 242.326 2.136 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)C ZINC000084127156 385859273 /nfs/dbraw/zinc/85/92/73/385859273.db2.gz PFFKMOVUGOBJCZ-CHWSQXEVSA-N 2 2 212.381 2.480 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647845744 385884802 /nfs/dbraw/zinc/88/48/02/385884802.db2.gz DHYLEBWEYRZVQS-SRVKXCTJSA-N 2 2 237.347 2.103 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647845744 385884805 /nfs/dbraw/zinc/88/48/05/385884805.db2.gz DHYLEBWEYRZVQS-SRVKXCTJSA-N 2 2 237.347 2.103 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000093074916 385886395 /nfs/dbraw/zinc/88/63/95/385886395.db2.gz XKSVAPLHELZSEG-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000093074916 385886401 /nfs/dbraw/zinc/88/64/01/385886401.db2.gz XKSVAPLHELZSEG-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000340479260 385890079 /nfs/dbraw/zinc/89/00/79/385890079.db2.gz PJJBTPSKOSWDOJ-YPMHNXCESA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000340479260 385890082 /nfs/dbraw/zinc/89/00/82/385890082.db2.gz PJJBTPSKOSWDOJ-YPMHNXCESA-N 2 2 222.376 2.247 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)o1 ZINC000272544121 385911238 /nfs/dbraw/zinc/91/12/38/385911238.db2.gz CGCXPEIMNBVDPR-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)o1 ZINC000272544121 385911240 /nfs/dbraw/zinc/91/12/40/385911240.db2.gz CGCXPEIMNBVDPR-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272544121 385911244 /nfs/dbraw/zinc/91/12/44/385911244.db2.gz CGCXPEIMNBVDPR-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272544121 385911248 /nfs/dbraw/zinc/91/12/48/385911248.db2.gz CGCXPEIMNBVDPR-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000335040077 385930380 /nfs/dbraw/zinc/93/03/80/385930380.db2.gz ODDIOTCTECODBM-VXGBXAGGSA-N 2 2 224.735 2.309 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCSCC1 ZINC000336742167 385914635 /nfs/dbraw/zinc/91/46/35/385914635.db2.gz WOPIUVZEZVCQSK-QWRGUYRKSA-N 2 2 230.421 2.058 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335033494 385920790 /nfs/dbraw/zinc/92/07/90/385920790.db2.gz PZVQQJRPCYKCTF-SWLSCSKDSA-N 2 2 230.355 2.324 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000335033516 385921876 /nfs/dbraw/zinc/92/18/76/385921876.db2.gz QRLCXNFUCXTXMZ-HIFRSBDPSA-N 2 2 230.355 2.324 20 0 BEADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335034472 385923152 /nfs/dbraw/zinc/92/31/52/385923152.db2.gz VLTSDLDHLJRDCY-GXTWGEPZSA-N 2 2 246.354 2.242 20 0 BEADLP C[C@H](CC[NH3+])[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000414877537 385924377 /nfs/dbraw/zinc/92/43/77/385924377.db2.gz GCJJJSACILKOEZ-LLVKDONJSA-N 2 2 245.326 2.169 20 0 BEADLP CC[C@H]1CO[C@H](C)C[N@@H+]1CCC[NH+](CC)CC ZINC000338251488 385926803 /nfs/dbraw/zinc/92/68/03/385926803.db2.gz PNDPBODHRNVQQZ-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1CO[C@H](C)C[N@H+]1CCC[NH+](CC)CC ZINC000338251488 385926805 /nfs/dbraw/zinc/92/68/05/385926805.db2.gz PNDPBODHRNVQQZ-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)ccc1F ZINC000342106104 385927533 /nfs/dbraw/zinc/92/75/33/385927533.db2.gz OTTQMAHVJMUPRT-SECBINFHSA-N 2 2 240.297 2.497 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2sccc2Cl)CCC1 ZINC000414873582 385877484 /nfs/dbraw/zinc/87/74/84/385877484.db2.gz HNHCMOJVBJEWQS-UHFFFAOYSA-N 2 2 230.764 2.373 20 0 BEADLP c1[nH+]cn2c1C[N@H+](CCCc1ccccc1)CC2 ZINC000647940766 385882710 /nfs/dbraw/zinc/88/27/10/385882710.db2.gz YLKZFQIWXNMHCQ-UHFFFAOYSA-N 2 2 241.338 2.332 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](CCCc1ccccc1)CC2 ZINC000647940766 385882714 /nfs/dbraw/zinc/88/27/14/385882714.db2.gz YLKZFQIWXNMHCQ-UHFFFAOYSA-N 2 2 241.338 2.332 20 0 BEADLP C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)Cc1ccccc1 ZINC000273260731 385982211 /nfs/dbraw/zinc/98/22/11/385982211.db2.gz XYKBFGNFPXTVKX-KBPBESRZSA-N 2 2 234.387 2.405 20 0 BEADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000335040068 385930926 /nfs/dbraw/zinc/93/09/26/385930926.db2.gz ODDIOTCTECODBM-NWDGAFQWSA-N 2 2 224.735 2.309 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000335040067 385931778 /nfs/dbraw/zinc/93/17/78/385931778.db2.gz ODDIOTCTECODBM-NEPJUHHUSA-N 2 2 224.735 2.309 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1F ZINC000342145261 385945255 /nfs/dbraw/zinc/94/52/55/385945255.db2.gz SELVOGPJINJUFO-VIFPVBQESA-N 2 2 240.297 2.497 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000251568574 385954237 /nfs/dbraw/zinc/95/42/37/385954237.db2.gz UGSXCGCEIKEEMD-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000251568574 385954242 /nfs/dbraw/zinc/95/42/42/385954242.db2.gz UGSXCGCEIKEEMD-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057104 385955844 /nfs/dbraw/zinc/95/58/44/385955844.db2.gz XBANSKGHBPONQI-FZMZJTMJSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057104 385955849 /nfs/dbraw/zinc/95/58/49/385955849.db2.gz XBANSKGHBPONQI-FZMZJTMJSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000335056235 385955992 /nfs/dbraw/zinc/95/59/92/385955992.db2.gz BFYZJNVVTNTYRR-AAEUAGOBSA-N 2 2 241.338 2.247 20 0 BEADLP Cn1cccc1[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000272998538 385958526 /nfs/dbraw/zinc/95/85/26/385958526.db2.gz RRFUEAPOUSQYGC-CQSZACIVSA-N 2 2 244.342 2.059 20 0 BEADLP [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058177 385958527 /nfs/dbraw/zinc/95/85/27/385958527.db2.gz YQWMDFALPTZHEZ-SMDDNHRTSA-N 2 2 231.343 2.194 20 0 BEADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000647863755 385961391 /nfs/dbraw/zinc/96/13/91/385961391.db2.gz JSBMRADHXPRBAP-JSGCOSHPSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCC2CCCC2)CCO1 ZINC000647863755 385961395 /nfs/dbraw/zinc/96/13/95/385961395.db2.gz JSBMRADHXPRBAP-JSGCOSHPSA-N 2 2 240.391 2.005 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414108537 385968763 /nfs/dbraw/zinc/96/87/63/385968763.db2.gz GIQDOTZOXLAQFE-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414108537 385968768 /nfs/dbraw/zinc/96/87/68/385968768.db2.gz GIQDOTZOXLAQFE-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](CCC[N@@H+](C)CC1CC1)Cc1ccco1 ZINC000285850871 385971045 /nfs/dbraw/zinc/97/10/45/385971045.db2.gz XWESJAKHVQHBRQ-UHFFFAOYSA-N 2 2 236.359 2.443 20 0 BEADLP C[NH+](CCC[N@H+](C)CC1CC1)Cc1ccco1 ZINC000285850871 385971051 /nfs/dbraw/zinc/97/10/51/385971051.db2.gz XWESJAKHVQHBRQ-UHFFFAOYSA-N 2 2 236.359 2.443 20 0 BEADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CC1 ZINC000285850871 385971056 /nfs/dbraw/zinc/97/10/56/385971056.db2.gz XWESJAKHVQHBRQ-UHFFFAOYSA-N 2 2 236.359 2.443 20 0 BEADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CC1 ZINC000285850871 385971060 /nfs/dbraw/zinc/97/10/60/385971060.db2.gz XWESJAKHVQHBRQ-UHFFFAOYSA-N 2 2 236.359 2.443 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)OC[C@H]1C ZINC000338345831 385974020 /nfs/dbraw/zinc/97/40/20/385974020.db2.gz BGTPUVVHNUNZJE-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC(C)(C)OC[C@H]1C ZINC000338345831 385974026 /nfs/dbraw/zinc/97/40/26/385974026.db2.gz BGTPUVVHNUNZJE-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@@H]1C ZINC000414114492 386009239 /nfs/dbraw/zinc/00/92/39/386009239.db2.gz OQPYTCJTYAFXIF-LZFBMIIGSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@@H]1C ZINC000414114492 386009245 /nfs/dbraw/zinc/00/92/45/386009245.db2.gz OQPYTCJTYAFXIF-LZFBMIIGSA-N 2 2 222.376 2.103 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cc(C)cc[nH+]2)C[C@@H]1C ZINC000345148531 386010985 /nfs/dbraw/zinc/01/09/85/386010985.db2.gz MFEVNMKLKZRALU-QWHCGFSZSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cc(C)cc[nH+]2)C[C@@H]1C ZINC000345148531 386010995 /nfs/dbraw/zinc/01/09/95/386010995.db2.gz MFEVNMKLKZRALU-QWHCGFSZSA-N 2 2 233.359 2.309 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121555 386013626 /nfs/dbraw/zinc/01/36/26/386013626.db2.gz ZSRXJHHQBFOHRM-LARJDALCSA-N 2 2 222.376 2.246 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121555 386013632 /nfs/dbraw/zinc/01/36/32/386013632.db2.gz ZSRXJHHQBFOHRM-LARJDALCSA-N 2 2 222.376 2.246 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cs1 ZINC000335061922 386028577 /nfs/dbraw/zinc/02/85/77/386028577.db2.gz WRAMCWXXBBBGDQ-KOLCDFICSA-N 2 2 210.346 2.069 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cs1 ZINC000335061917 386030496 /nfs/dbraw/zinc/03/04/96/386030496.db2.gz WRAMCWXXBBBGDQ-GXSJLCMTSA-N 2 2 210.346 2.069 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@]1(C)CCCO1 ZINC000340502399 386032104 /nfs/dbraw/zinc/03/21/04/386032104.db2.gz JRWAXZCWRNZWDZ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000334428600 386035896 /nfs/dbraw/zinc/03/58/96/386035896.db2.gz SQGWDTAKIKYWNR-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000334428600 386035902 /nfs/dbraw/zinc/03/59/02/386035902.db2.gz SQGWDTAKIKYWNR-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)nc1 ZINC000334428600 386035907 /nfs/dbraw/zinc/03/59/07/386035907.db2.gz SQGWDTAKIKYWNR-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)nc1 ZINC000334428600 386035911 /nfs/dbraw/zinc/03/59/11/386035911.db2.gz SQGWDTAKIKYWNR-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000334428606 386037537 /nfs/dbraw/zinc/03/75/37/386037537.db2.gz SQGWDTAKIKYWNR-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000334428606 386037542 /nfs/dbraw/zinc/03/75/42/386037542.db2.gz SQGWDTAKIKYWNR-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)nc1 ZINC000334428606 386037545 /nfs/dbraw/zinc/03/75/45/386037545.db2.gz SQGWDTAKIKYWNR-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)nc1 ZINC000334428606 386037550 /nfs/dbraw/zinc/03/75/50/386037550.db2.gz SQGWDTAKIKYWNR-ZFWWWQNUSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)[C@H](C)O1 ZINC000295503162 386042520 /nfs/dbraw/zinc/04/25/20/386042520.db2.gz UFLJKBXXITZJON-FRRDWIJNSA-N 2 2 249.358 2.039 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)[C@@H](C)O1 ZINC000295503170 386043299 /nfs/dbraw/zinc/04/32/99/386043299.db2.gz UFLJKBXXITZJON-UPJWGTAASA-N 2 2 249.358 2.039 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[N@H+](C)C1CC1 ZINC000340232735 386047537 /nfs/dbraw/zinc/04/75/37/386047537.db2.gz RSGQGIJEEQUIFU-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)[N@@H+](C)C1CC1 ZINC000340232735 386047544 /nfs/dbraw/zinc/04/75/44/386047544.db2.gz RSGQGIJEEQUIFU-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP CCn1cc[nH+]c1NCc1cc(OC)cc(C)[nH+]1 ZINC000414294705 386104251 /nfs/dbraw/zinc/10/42/51/386104251.db2.gz DTQCPCNUTPMGGD-UHFFFAOYSA-N 2 2 246.314 2.227 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000414330528 386124419 /nfs/dbraw/zinc/12/44/19/386124419.db2.gz CCBDGJASQQCFGY-BFHYXJOUSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1OCC1CC1 ZINC000414987254 386116452 /nfs/dbraw/zinc/11/64/52/386116452.db2.gz YPXRPFUKPYIIKJ-AWEZNQCLSA-N 2 2 248.370 2.302 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1OCC1CC1 ZINC000414987256 386116556 /nfs/dbraw/zinc/11/65/56/386116556.db2.gz YPXRPFUKPYIIKJ-CQSZACIVSA-N 2 2 248.370 2.302 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000414330528 386124427 /nfs/dbraw/zinc/12/44/27/386124427.db2.gz CCBDGJASQQCFGY-BFHYXJOUSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414982525 386075362 /nfs/dbraw/zinc/07/53/62/386075362.db2.gz AQADXIZHGOCWQY-CMPLNLGQSA-N 2 2 242.313 2.362 20 0 BEADLP C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414982528 386075779 /nfs/dbraw/zinc/07/57/79/386075779.db2.gz AQADXIZHGOCWQY-JQWIXIFHSA-N 2 2 242.313 2.362 20 0 BEADLP C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000414982531 386076612 /nfs/dbraw/zinc/07/66/12/386076612.db2.gz AQADXIZHGOCWQY-ZYHUDNBSSA-N 2 2 242.313 2.362 20 0 BEADLP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000334457792 386096645 /nfs/dbraw/zinc/09/66/45/386096645.db2.gz PVKJLRFOZMJKJC-QWHCGFSZSA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000334457792 386096649 /nfs/dbraw/zinc/09/66/49/386096649.db2.gz PVKJLRFOZMJKJC-QWHCGFSZSA-N 2 2 208.349 2.169 20 0 BEADLP CCCC[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]CCOC ZINC000414891599 386146307 /nfs/dbraw/zinc/14/63/07/386146307.db2.gz WEVFSVHQDNZYEL-KBPBESRZSA-N 2 2 242.407 2.171 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414679802 386162355 /nfs/dbraw/zinc/16/23/55/386162355.db2.gz XITOONGXMYBEBA-JYJNAYRXSA-N 2 2 244.382 2.474 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414679802 386162356 /nfs/dbraw/zinc/16/23/56/386162356.db2.gz XITOONGXMYBEBA-JYJNAYRXSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CC=CCC2)CCC[N@@H+]1C ZINC000336722724 386165054 /nfs/dbraw/zinc/16/50/54/386165054.db2.gz ATHWDNCFXVSPMQ-RDBSUJKOSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CC=CCC2)CCC[N@H+]1C ZINC000336722724 386165057 /nfs/dbraw/zinc/16/50/57/386165057.db2.gz ATHWDNCFXVSPMQ-RDBSUJKOSA-N 2 2 222.376 2.415 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000414330531 386124847 /nfs/dbraw/zinc/12/48/47/386124847.db2.gz CCBDGJASQQCFGY-MELADBBJSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000414330531 386124853 /nfs/dbraw/zinc/12/48/53/386124853.db2.gz CCBDGJASQQCFGY-MELADBBJSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccncc1 ZINC000414344628 386134114 /nfs/dbraw/zinc/13/41/14/386134114.db2.gz OCGZEIFPTVNOGW-KGLIPLIRSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000414344628 386134120 /nfs/dbraw/zinc/13/41/20/386134120.db2.gz OCGZEIFPTVNOGW-KGLIPLIRSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)C(C)(C)C)C1CC1 ZINC000155875329 386135129 /nfs/dbraw/zinc/13/51/29/386135129.db2.gz ZLPUZFSCCVHXRU-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)C(C)(C)C)C1CC1 ZINC000155875329 386135140 /nfs/dbraw/zinc/13/51/40/386135140.db2.gz ZLPUZFSCCVHXRU-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cnccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000296125201 386140738 /nfs/dbraw/zinc/14/07/38/386140738.db2.gz TZGDRHIEDOQNSW-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cnccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000296125201 386140741 /nfs/dbraw/zinc/14/07/41/386140741.db2.gz TZGDRHIEDOQNSW-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2ccsc2C1 ZINC000414700060 386204762 /nfs/dbraw/zinc/20/47/62/386204762.db2.gz KCYCSLBHLHVHQE-GFCCVEGCSA-N 2 2 238.400 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2ccsc2C1 ZINC000414700060 386204768 /nfs/dbraw/zinc/20/47/68/386204768.db2.gz KCYCSLBHLHVHQE-GFCCVEGCSA-N 2 2 238.400 2.480 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000415000855 386228328 /nfs/dbraw/zinc/22/83/28/386228328.db2.gz BQODXQBJKHUJPH-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226010812 386231927 /nfs/dbraw/zinc/23/19/27/386231927.db2.gz SKVYXMPJYKIYHG-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226010812 386231931 /nfs/dbraw/zinc/23/19/31/386231931.db2.gz SKVYXMPJYKIYHG-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226010826 386232517 /nfs/dbraw/zinc/23/25/17/386232517.db2.gz SKVYXMPJYKIYHG-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226010826 386232522 /nfs/dbraw/zinc/23/25/22/386232522.db2.gz SKVYXMPJYKIYHG-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H](CC[NH3+])C(F)F ZINC000415001382 386233259 /nfs/dbraw/zinc/23/32/59/386233259.db2.gz YAZWDWMZASMKAZ-OUAUKWLOSA-N 2 2 234.334 2.385 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](CO)C1 ZINC000288961835 386243913 /nfs/dbraw/zinc/24/39/13/386243913.db2.gz AYPWRYBJORBRBL-AWEZNQCLSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](CO)C1 ZINC000288961835 386243918 /nfs/dbraw/zinc/24/39/18/386243918.db2.gz AYPWRYBJORBRBL-AWEZNQCLSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](C)C1 ZINC000288997499 386249339 /nfs/dbraw/zinc/24/93/39/386249339.db2.gz DSCPBZABFMBNHQ-CYBMUJFWSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](C)C1 ZINC000288997499 386249348 /nfs/dbraw/zinc/24/93/48/386249348.db2.gz DSCPBZABFMBNHQ-CYBMUJFWSA-N 2 2 234.343 2.043 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638355613 386249860 /nfs/dbraw/zinc/24/98/60/386249860.db2.gz OMNYRCYFMVOGPT-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)nc1 ZINC000338995128 386198463 /nfs/dbraw/zinc/19/84/63/386198463.db2.gz BJRMRHMLSQLPRM-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)nc1 ZINC000338995128 386198465 /nfs/dbraw/zinc/19/84/65/386198465.db2.gz BJRMRHMLSQLPRM-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000340310479 386282389 /nfs/dbraw/zinc/28/23/89/386282389.db2.gz NMPFRULZLQYEDR-GFCCVEGCSA-N 2 2 236.359 2.336 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCOC1 ZINC000289345631 386287299 /nfs/dbraw/zinc/28/72/99/386287299.db2.gz WUMZQEBACIAQFN-AWEZNQCLSA-N 2 2 248.370 2.339 20 0 BEADLP COC[C@@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000289355894 386290198 /nfs/dbraw/zinc/29/01/98/386290198.db2.gz YCMICFMXSRWBAV-LBPRGKRZSA-N 2 2 236.359 2.195 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000336730911 386299324 /nfs/dbraw/zinc/29/93/24/386299324.db2.gz IOGFHMYQAPHWMA-KWCYVHTRSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000336730911 386299329 /nfs/dbraw/zinc/29/93/29/386299329.db2.gz IOGFHMYQAPHWMA-KWCYVHTRSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000414735836 386310743 /nfs/dbraw/zinc/31/07/43/386310743.db2.gz HFTUKLSDKCYSCC-FRRDWIJNSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000414735836 386310746 /nfs/dbraw/zinc/31/07/46/386310746.db2.gz HFTUKLSDKCYSCC-FRRDWIJNSA-N 2 2 212.381 2.480 20 0 BEADLP c1cn(C2CC[NH+](CCC3CC3)CC2)c[nH+]1 ZINC000336670734 386312077 /nfs/dbraw/zinc/31/20/77/386312077.db2.gz WEOKCVSZOVSJFB-UHFFFAOYSA-N 2 2 219.332 2.320 20 0 BEADLP Cc1ccncc1C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414737874 386315923 /nfs/dbraw/zinc/31/59/23/386315923.db2.gz IZDUXMGXZDUJDP-AWEZNQCLSA-N 2 2 235.375 2.195 20 0 BEADLP Cc1ccncc1C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000414737874 386315931 /nfs/dbraw/zinc/31/59/31/386315931.db2.gz IZDUXMGXZDUJDP-AWEZNQCLSA-N 2 2 235.375 2.195 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000289494838 386317473 /nfs/dbraw/zinc/31/74/73/386317473.db2.gz BUMVVKFRNOUYCV-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000289494838 386317476 /nfs/dbraw/zinc/31/74/76/386317476.db2.gz BUMVVKFRNOUYCV-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP CCCC[N@H+](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000289107372 386262263 /nfs/dbraw/zinc/26/22/63/386262263.db2.gz PXRJFHRTZJFPQT-NSHDSACASA-N 2 2 236.363 2.317 20 0 BEADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000289107372 386262266 /nfs/dbraw/zinc/26/22/66/386262266.db2.gz PXRJFHRTZJFPQT-NSHDSACASA-N 2 2 236.363 2.317 20 0 BEADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347166873 386267269 /nfs/dbraw/zinc/26/72/69/386267269.db2.gz LFQLPDMDRYQGJZ-OAHLLOKOSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347166873 386267271 /nfs/dbraw/zinc/26/72/71/386267271.db2.gz LFQLPDMDRYQGJZ-OAHLLOKOSA-N 2 2 230.355 2.321 20 0 BEADLP CC[NH+](CC)C[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000339136464 386267465 /nfs/dbraw/zinc/26/74/65/386267465.db2.gz TXEMCOAGZGPKJM-SNVBAGLBSA-N 2 2 247.346 2.100 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CC[NH+](C)C ZINC000289171993 386269413 /nfs/dbraw/zinc/26/94/13/386269413.db2.gz FHGYMRBJASSHDL-AWEZNQCLSA-N 3 2 249.402 2.252 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000415006602 386341659 /nfs/dbraw/zinc/34/16/59/386341659.db2.gz KQNIYMBEELUDFN-RKDXNWHRSA-N 2 2 227.377 2.092 20 0 BEADLP CCC1CC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000336723642 386341718 /nfs/dbraw/zinc/34/17/18/386341718.db2.gz FBUFVCCWOPFRBG-HSBZDZAISA-N 2 2 224.392 2.497 20 0 BEADLP CCC1CC([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000336723642 386341726 /nfs/dbraw/zinc/34/17/26/386341726.db2.gz FBUFVCCWOPFRBG-HSBZDZAISA-N 2 2 224.392 2.497 20 0 BEADLP CCC1CC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000336723645 386342315 /nfs/dbraw/zinc/34/23/15/386342315.db2.gz FBUFVCCWOPFRBG-IYXRBSQSSA-N 2 2 224.392 2.497 20 0 BEADLP CCC1CC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000336723645 386342320 /nfs/dbraw/zinc/34/23/20/386342320.db2.gz FBUFVCCWOPFRBG-IYXRBSQSSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000289694737 386345233 /nfs/dbraw/zinc/34/52/33/386345233.db2.gz FTXCGDNJPYJFDN-NEPJUHHUSA-N 2 2 238.350 2.469 20 0 BEADLP CC[C@H](C[NH2+]Cc1c[nH+]c2ccc(C)cn12)OC ZINC000289727544 386347405 /nfs/dbraw/zinc/34/74/05/386347405.db2.gz GOAUBEDHNZFNPO-CYBMUJFWSA-N 2 2 247.342 2.157 20 0 BEADLP CC[C@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)OC ZINC000353115756 386368746 /nfs/dbraw/zinc/36/87/46/386368746.db2.gz MFHLTNYGOWYHPE-CYBMUJFWSA-N 2 2 247.342 2.157 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000414908191 386397997 /nfs/dbraw/zinc/39/79/97/386397997.db2.gz BCJAEAIBHWKCPY-DBVFPWQWSA-N 2 2 230.355 2.287 20 0 BEADLP Cc1ccoc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000266166564 386404800 /nfs/dbraw/zinc/40/48/00/386404800.db2.gz AOBDAHSSJXWDKX-NSHDSACASA-N 2 2 233.315 2.210 20 0 BEADLP COCC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000442664056 386412202 /nfs/dbraw/zinc/41/22/02/386412202.db2.gz LIFJLKACVNAGCS-CHWSQXEVSA-N 2 2 236.359 2.043 20 0 BEADLP COCC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000442664056 386412204 /nfs/dbraw/zinc/41/22/04/386412204.db2.gz LIFJLKACVNAGCS-CHWSQXEVSA-N 2 2 236.359 2.043 20 0 BEADLP COCC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000442664059 386412377 /nfs/dbraw/zinc/41/23/77/386412377.db2.gz LIFJLKACVNAGCS-QWHCGFSZSA-N 2 2 236.359 2.043 20 0 BEADLP COCC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000442664059 386412379 /nfs/dbraw/zinc/41/23/79/386412379.db2.gz LIFJLKACVNAGCS-QWHCGFSZSA-N 2 2 236.359 2.043 20 0 BEADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H](C)[NH3+])C(C)C ZINC000442663810 386414254 /nfs/dbraw/zinc/41/42/54/386414254.db2.gz ULOVFJPNOVTQOW-NEPJUHHUSA-N 2 2 221.348 2.024 20 0 BEADLP Cc1ccc(CCCN2C[C@H](C)[NH2+][C@@H](C)C2)c[nH+]1 ZINC000339408518 386414372 /nfs/dbraw/zinc/41/43/72/386414372.db2.gz HWYANVKUKOUMMM-KBPBESRZSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCCN2C[C@@H](C)[NH2+][C@H](C)C2)c[nH+]1 ZINC000339408533 386415099 /nfs/dbraw/zinc/41/50/99/386415099.db2.gz HWYANVKUKOUMMM-ZIAGYGMSSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(C)CCOC1 ZINC000290295583 386417057 /nfs/dbraw/zinc/41/70/57/386417057.db2.gz HIUKIKCBWDXPKX-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCC3)CCC1 ZINC000336777315 386418741 /nfs/dbraw/zinc/41/87/41/386418741.db2.gz ICERBOMNFSCKDJ-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP COC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000290322037 386420252 /nfs/dbraw/zinc/42/02/52/386420252.db2.gz JQGWFZZCNGJOLQ-OAHLLOKOSA-N 2 2 248.370 2.337 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCC3)CCC1 ZINC000336777314 386420615 /nfs/dbraw/zinc/42/06/15/386420615.db2.gz ICERBOMNFSCKDJ-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000414762862 386425141 /nfs/dbraw/zinc/42/51/41/386425141.db2.gz LXXUULWSJPZYKN-OLZOCXBDSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000414762862 386425148 /nfs/dbraw/zinc/42/51/48/386425148.db2.gz LXXUULWSJPZYKN-OLZOCXBDSA-N 2 2 242.407 2.107 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000290404487 386428655 /nfs/dbraw/zinc/42/86/55/386428655.db2.gz JPMZOKUSWXMWPS-OLZOCXBDSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000290404487 386428661 /nfs/dbraw/zinc/42/86/61/386428661.db2.gz JPMZOKUSWXMWPS-OLZOCXBDSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290404487 386428662 /nfs/dbraw/zinc/42/86/62/386428662.db2.gz JPMZOKUSWXMWPS-OLZOCXBDSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccoc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000290404487 386428668 /nfs/dbraw/zinc/42/86/68/386428668.db2.gz JPMZOKUSWXMWPS-OLZOCXBDSA-N 2 2 236.359 2.360 20 0 BEADLP CC[NH+](CC)CCCCNc1cc[nH+]c(C)n1 ZINC000266442494 386436084 /nfs/dbraw/zinc/43/60/84/386436084.db2.gz WIUPXWLPWOFGNI-UHFFFAOYSA-N 2 2 236.363 2.319 20 0 BEADLP CC[C@@H](C(=O)Nc1cc[nH+]cc1C)[NH+](CC)CC ZINC000266858552 386476383 /nfs/dbraw/zinc/47/63/83/386476383.db2.gz SZVHKTYFKMYXEC-ZDUSSCGKSA-N 2 2 249.358 2.449 20 0 BEADLP CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266959749 386483366 /nfs/dbraw/zinc/48/33/66/386483366.db2.gz WIEYIJIPYMILQW-LLVKDONJSA-N 2 2 207.321 2.389 20 0 BEADLP CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266959749 386483374 /nfs/dbraw/zinc/48/33/74/386483374.db2.gz WIEYIJIPYMILQW-LLVKDONJSA-N 2 2 207.321 2.389 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417350579 386488768 /nfs/dbraw/zinc/48/87/68/386488768.db2.gz AGPLJXPAQHOAQP-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)Cc1ncc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 ZINC000415012983 386492931 /nfs/dbraw/zinc/49/29/31/386492931.db2.gz UCYIWPUTDLNBAZ-NXEZZACHSA-N 2 2 241.404 2.167 20 0 BEADLP CC(C)CCC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000414780464 386495155 /nfs/dbraw/zinc/49/51/55/386495155.db2.gz TYCLXSSARRDNPF-GFCCVEGCSA-N 2 2 216.344 2.056 20 0 BEADLP CC(C)CCC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000414780464 386495160 /nfs/dbraw/zinc/49/51/60/386495160.db2.gz TYCLXSSARRDNPF-GFCCVEGCSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000415013510 386495892 /nfs/dbraw/zinc/49/58/92/386495892.db2.gz KRJXLLJJMMQOEK-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)C[NH3+])CCCO2 ZINC000335467798 386498891 /nfs/dbraw/zinc/49/88/91/386498891.db2.gz DVNHBJJWPKVYIL-OCCSQVGLSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415016128 386499793 /nfs/dbraw/zinc/49/97/93/386499793.db2.gz ZSMCTTBWOTVXMD-RKDXNWHRSA-N 2 2 241.404 2.266 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000135295072 386500261 /nfs/dbraw/zinc/50/02/61/386500261.db2.gz LYGNTJZSGBKGJM-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000135295072 386500265 /nfs/dbraw/zinc/50/02/65/386500265.db2.gz LYGNTJZSGBKGJM-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000415051543 386508828 /nfs/dbraw/zinc/50/88/28/386508828.db2.gz ZVNLXKCLHIAVSY-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000415024775 386513971 /nfs/dbraw/zinc/51/39/71/386513971.db2.gz ZBAODZDOMXYFQD-ZJUUUORDSA-N 2 2 240.322 2.050 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H](CC3CC3)C2)c[nH+]1 ZINC000339674265 386514725 /nfs/dbraw/zinc/51/47/25/386514725.db2.gz UJVBSKNSXPAEKB-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H](CC3CC3)C2)c[nH+]1 ZINC000339674265 386514731 /nfs/dbraw/zinc/51/47/31/386514731.db2.gz UJVBSKNSXPAEKB-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415029674 386517036 /nfs/dbraw/zinc/51/70/36/386517036.db2.gz BEFANODYHLVSIB-CQSZACIVSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)oc1C ZINC000335451172 386524301 /nfs/dbraw/zinc/52/43/01/386524301.db2.gz FQKPRPIYRRMZDM-JTQLQIEISA-N 2 2 222.332 2.299 20 0 BEADLP Cc1cccc(OC[C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000415076847 386577972 /nfs/dbraw/zinc/57/79/72/386577972.db2.gz GSWXSDPEMAOXNM-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000453405122 386592403 /nfs/dbraw/zinc/59/24/03/386592403.db2.gz JFSQBOUCTQWHAP-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000453405122 386592412 /nfs/dbraw/zinc/59/24/12/386592412.db2.gz JFSQBOUCTQWHAP-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)on1 ZINC000267399815 386536162 /nfs/dbraw/zinc/53/61/62/386536162.db2.gz FSESPCFWVNDAJY-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)on1 ZINC000267399815 386536173 /nfs/dbraw/zinc/53/61/73/386536173.db2.gz FSESPCFWVNDAJY-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000415058153 386540967 /nfs/dbraw/zinc/54/09/67/386540967.db2.gz SSMYJGPKXGHYIR-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP CCc1ncc(C[NH2+][C@H](C[NH3+])C(C)(C)C)s1 ZINC000415059880 386542337 /nfs/dbraw/zinc/54/23/37/386542337.db2.gz ZUQKPNDTYBMJLV-SNVBAGLBSA-N 2 2 241.404 2.169 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C(C)C ZINC000415061361 386542383 /nfs/dbraw/zinc/54/23/83/386542383.db2.gz CNDDRMHFDBWSNH-CYBMUJFWSA-N 2 2 206.333 2.247 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)c(F)cc1F ZINC000414791334 386544920 /nfs/dbraw/zinc/54/49/20/386544920.db2.gz HQMFOQPKOFOSIJ-LBPRGKRZSA-N 2 2 246.276 2.177 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000063195716 386553719 /nfs/dbraw/zinc/55/37/19/386553719.db2.gz YHIGBASLWSRKHM-DZGCQCFKSA-N 2 2 248.370 2.267 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000063195716 386553724 /nfs/dbraw/zinc/55/37/24/386553724.db2.gz YHIGBASLWSRKHM-DZGCQCFKSA-N 2 2 248.370 2.267 20 0 BEADLP CCC[C@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291631820 386560407 /nfs/dbraw/zinc/56/04/07/386560407.db2.gz SLULHQXVLNSYNN-NSHDSACASA-N 2 2 207.321 2.135 20 0 BEADLP CCC[C@H](C)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291631820 386560414 /nfs/dbraw/zinc/56/04/14/386560414.db2.gz SLULHQXVLNSYNN-NSHDSACASA-N 2 2 207.321 2.135 20 0 BEADLP C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000245591278 386597639 /nfs/dbraw/zinc/59/76/39/386597639.db2.gz GIDRLHGHPJAAHO-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@H]1C ZINC000245591278 386597642 /nfs/dbraw/zinc/59/76/42/386597642.db2.gz GIDRLHGHPJAAHO-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@H](C[NH3+])C2CC2)s1 ZINC000414796873 386568866 /nfs/dbraw/zinc/56/88/66/386568866.db2.gz ICPMQBPEHRAZPD-SNVBAGLBSA-N 2 2 239.388 2.093 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000414796872 386569415 /nfs/dbraw/zinc/56/94/15/386569415.db2.gz ICPMQBPEHRAZPD-JTQLQIEISA-N 2 2 239.388 2.093 20 0 BEADLP CCC[C@H](C)[C@H](CC)[NH2+]CC[NH+](C)C ZINC000336645995 386623175 /nfs/dbraw/zinc/62/31/75/386623175.db2.gz CHGCWWMEXVAWFT-RYUDHWBXSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000335498111 386623818 /nfs/dbraw/zinc/62/38/18/386623818.db2.gz CUOGKUJYZAJZFB-KOLCDFICSA-N 2 2 236.384 2.249 20 0 BEADLP C[C@@H](C[N@H+](C)CC[NH3+])c1cccc(Cl)c1 ZINC000415115674 386630469 /nfs/dbraw/zinc/63/04/69/386630469.db2.gz XAASQNJSVYACRE-JTQLQIEISA-N 2 2 226.751 2.334 20 0 BEADLP C[C@@H](C[N@@H+](C)CC[NH3+])c1cccc(Cl)c1 ZINC000415115674 386630473 /nfs/dbraw/zinc/63/04/73/386630473.db2.gz XAASQNJSVYACRE-JTQLQIEISA-N 2 2 226.751 2.334 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128274 386636975 /nfs/dbraw/zinc/63/69/75/386636975.db2.gz SCEDNCLHSCFTDK-UEEZHKSASA-N 2 2 248.345 2.208 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128274 386636993 /nfs/dbraw/zinc/63/69/93/386636993.db2.gz SCEDNCLHSCFTDK-UEEZHKSASA-N 2 2 248.345 2.208 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000414812177 386640456 /nfs/dbraw/zinc/64/04/56/386640456.db2.gz XAZFWFSDIXPIDJ-SECBINFHSA-N 2 2 230.764 2.228 20 0 BEADLP CC[NH+](CC)[C@@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000268304610 386640811 /nfs/dbraw/zinc/64/08/11/386640811.db2.gz IEMSORRXQRCEJE-CYBMUJFWSA-N 2 2 233.359 2.311 20 0 BEADLP CCSCC[NH2+]C[C@@H](CC)[NH+]1CCCC1 ZINC000336758826 386642103 /nfs/dbraw/zinc/64/21/03/386642103.db2.gz JZXZKBTZRVBXKE-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP Cc1[nH+]ccn1CCCNc1cc(C)cc[nH+]1 ZINC000268342132 386644555 /nfs/dbraw/zinc/64/45/55/386644555.db2.gz SIUAVDHVCROJTJ-UHFFFAOYSA-N 2 2 230.315 2.397 20 0 BEADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091099 386610677 /nfs/dbraw/zinc/61/06/77/386610677.db2.gz BOOAQAHTUOMMRD-MJBXVCDLSA-N 2 2 242.407 2.025 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1sc(C)nc1C ZINC000414805217 386612646 /nfs/dbraw/zinc/61/26/46/386612646.db2.gz AGUBLASXBAZNOJ-NSHDSACASA-N 2 2 241.404 2.367 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000414806548 386615950 /nfs/dbraw/zinc/61/59/50/386615950.db2.gz HQPQPEXXULSBHX-UHFFFAOYSA-N 2 2 240.322 2.138 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc(OC2CCCC2)c1 ZINC000415107252 386617214 /nfs/dbraw/zinc/61/72/14/386617214.db2.gz KXJKGZJIOVXYRT-UHFFFAOYSA-N 2 2 248.370 2.399 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc(OC2CCCC2)c1 ZINC000415107252 386617226 /nfs/dbraw/zinc/61/72/26/386617226.db2.gz KXJKGZJIOVXYRT-UHFFFAOYSA-N 2 2 248.370 2.399 20 0 BEADLP COCC[C@H](C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000414477217 386665517 /nfs/dbraw/zinc/66/55/17/386665517.db2.gz CANKAHWVXXBPDX-LBPRGKRZSA-N 2 2 247.342 2.097 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H](C)C[NH3+] ZINC000335468522 386687030 /nfs/dbraw/zinc/68/70/30/386687030.db2.gz SFSRXFOWISNZII-DGCLKSJQSA-N 2 2 234.343 2.146 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414927056 386689627 /nfs/dbraw/zinc/68/96/27/386689627.db2.gz LUJSCSZBFXYRDN-DZGCQCFKSA-N 2 2 232.371 2.391 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000520565660 386696143 /nfs/dbraw/zinc/69/61/43/386696143.db2.gz UABUVDSZBZIUFB-MNOVXSKESA-N 2 2 222.332 2.001 20 0 BEADLP [NH3+][C@@H](C[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000414828007 386697927 /nfs/dbraw/zinc/69/79/27/386697927.db2.gz IEKOMMHSQAJJHF-STQMWFEESA-N 2 2 236.384 2.172 20 0 BEADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)on1 ZINC000335476491 386700392 /nfs/dbraw/zinc/70/03/92/386700392.db2.gz WDRAAEPPGGJQLN-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)on1 ZINC000335476491 386700400 /nfs/dbraw/zinc/70/04/00/386700400.db2.gz WDRAAEPPGGJQLN-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414828701 386702867 /nfs/dbraw/zinc/70/28/67/386702867.db2.gz JINBRAMEWAISNJ-OAHLLOKOSA-N 2 2 241.338 2.180 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324721 386702914 /nfs/dbraw/zinc/70/29/14/386702914.db2.gz LHCDDWXDTFCOKJ-TZMCWYRMSA-N 2 2 216.328 2.016 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414828839 386702953 /nfs/dbraw/zinc/70/29/53/386702953.db2.gz LFEHUDJOWNZAND-UHFFFAOYSA-N 2 2 243.354 2.242 20 0 BEADLP Cl/C=C/C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268992196 386733919 /nfs/dbraw/zinc/73/39/19/386733919.db2.gz SJALOTJRVIICLU-XCRNYIDWSA-N 2 2 225.723 2.342 20 0 BEADLP Cl/C=C/C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268992196 386733924 /nfs/dbraw/zinc/73/39/24/386733924.db2.gz SJALOTJRVIICLU-XCRNYIDWSA-N 2 2 225.723 2.342 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000335485500 386714129 /nfs/dbraw/zinc/71/41/29/386714129.db2.gz FPFUPLRVDIMAPC-NEPJUHHUSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000335485500 386714137 /nfs/dbraw/zinc/71/41/37/386714137.db2.gz FPFUPLRVDIMAPC-NEPJUHHUSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000335485503 386715370 /nfs/dbraw/zinc/71/53/70/386715370.db2.gz FPFUPLRVDIMAPC-NWDGAFQWSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000335485503 386715373 /nfs/dbraw/zinc/71/53/73/386715373.db2.gz FPFUPLRVDIMAPC-NWDGAFQWSA-N 2 2 221.348 2.169 20 0 BEADLP CCC[C@H](CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000125084870 386757615 /nfs/dbraw/zinc/75/76/15/386757615.db2.gz MJVPGRPKTHKDEI-NSHDSACASA-N 2 2 200.370 2.495 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCC[C@H]3CCO3)C2)[nH]1 ZINC000637953463 386761000 /nfs/dbraw/zinc/76/10/00/386761000.db2.gz QJZMFQLYFKRAHV-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CCC[C@H]3CCO3)C2)[nH]1 ZINC000637953463 386761008 /nfs/dbraw/zinc/76/10/08/386761008.db2.gz QJZMFQLYFKRAHV-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cocn1)C(C)(C)C ZINC000192314759 386762991 /nfs/dbraw/zinc/76/29/91/386762991.db2.gz XVNHRTILJCPPFB-GFCCVEGCSA-N 2 2 239.363 2.131 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000122287897 386742240 /nfs/dbraw/zinc/74/22/40/386742240.db2.gz DUMZGPYCAWQWBO-OCCSQVGLSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@H+]1C1CC1 ZINC000122287897 386742248 /nfs/dbraw/zinc/74/22/48/386742248.db2.gz DUMZGPYCAWQWBO-OCCSQVGLSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccon1 ZINC000349204819 386790963 /nfs/dbraw/zinc/79/09/63/386790963.db2.gz VIRKRWRILIKOPB-VXGBXAGGSA-N 2 2 237.347 2.200 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccon1 ZINC000349204819 386790967 /nfs/dbraw/zinc/79/09/67/386790967.db2.gz VIRKRWRILIKOPB-VXGBXAGGSA-N 2 2 237.347 2.200 20 0 BEADLP CC(C)OC1CC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000428074327 386795485 /nfs/dbraw/zinc/79/54/85/386795485.db2.gz DZHPGWOZYQFVNG-ABXWRUBCSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000428074327 386795491 /nfs/dbraw/zinc/79/54/91/386795491.db2.gz DZHPGWOZYQFVNG-ABXWRUBCSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000428074335 386795821 /nfs/dbraw/zinc/79/58/21/386795821.db2.gz DZHPGWOZYQFVNG-RYSNWHEDSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000428074335 386795828 /nfs/dbraw/zinc/79/58/28/386795828.db2.gz DZHPGWOZYQFVNG-RYSNWHEDSA-N 2 2 240.391 2.015 20 0 BEADLP COc1ccc2ccccc2c1C[NH2+][C@H](C)C[NH3+] ZINC000414933336 386783212 /nfs/dbraw/zinc/78/32/12/386783212.db2.gz SWYHZFPGMXQRBT-LLVKDONJSA-N 2 2 244.338 2.285 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000414934758 386798940 /nfs/dbraw/zinc/79/89/40/386798940.db2.gz TVPNZLGXYPJREA-FZMZJTMJSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@H](C[NH2+]Cc1ccccc1F)C[NH+](C)C ZINC000336670895 386808424 /nfs/dbraw/zinc/80/84/24/386808424.db2.gz NHOLBBRXUAICLB-LLVKDONJSA-N 2 2 224.323 2.113 20 0 BEADLP CCOc1c(Cl)cccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414943028 386893775 /nfs/dbraw/zinc/89/37/75/386893775.db2.gz KYBONDKQQKNMBT-VIFPVBQESA-N 2 2 242.750 2.176 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425343413 386856590 /nfs/dbraw/zinc/85/65/90/386856590.db2.gz IFXNJAQUKNRXJE-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425343413 386856596 /nfs/dbraw/zinc/85/65/96/386856596.db2.gz IFXNJAQUKNRXJE-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP CCc1cccc(Cl)c1C[NH2+][C@H](C)C[NH3+] ZINC000414939173 386868453 /nfs/dbraw/zinc/86/84/53/386868453.db2.gz ZGVQBIXCDWPUEN-SECBINFHSA-N 2 2 226.751 2.339 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000334840924 386883534 /nfs/dbraw/zinc/88/35/34/386883534.db2.gz DCQVUIAKYXBUKF-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP COc1c(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000334840924 386883536 /nfs/dbraw/zinc/88/35/36/386883536.db2.gz DCQVUIAKYXBUKF-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000334842100 386885608 /nfs/dbraw/zinc/88/56/08/386885608.db2.gz KOLKPEMBDBLWHA-OAWOSGDHSA-N 2 2 234.318 2.260 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000334842100 386885615 /nfs/dbraw/zinc/88/56/15/386885615.db2.gz KOLKPEMBDBLWHA-OAWOSGDHSA-N 2 2 234.318 2.260 20 0 BEADLP Clc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000334843539 386890257 /nfs/dbraw/zinc/89/02/57/386890257.db2.gz REBMSPSIWMBARQ-NOZJJQNGSA-N 2 2 236.746 2.279 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000334861777 386915274 /nfs/dbraw/zinc/91/52/74/386915274.db2.gz DKTHRCLJOUVHAE-BXKDBHETSA-N 2 2 240.297 2.195 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000334861899 386915762 /nfs/dbraw/zinc/91/57/62/386915762.db2.gz FNKCTEPPBUNLEO-IINYFYTJSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000334861294 386916141 /nfs/dbraw/zinc/91/61/41/386916141.db2.gz CLUNVTRREPCWKD-JOYOIKCWSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000334863319 386918060 /nfs/dbraw/zinc/91/80/60/386918060.db2.gz MNXIHINERDDGFP-GXTWGEPZSA-N 2 2 218.344 2.083 20 0 BEADLP CC(C)C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000334849732 386899101 /nfs/dbraw/zinc/89/91/01/386899101.db2.gz ZNQFMUDRXNKHLP-UONOGXRCSA-N 2 2 236.334 2.208 20 0 BEADLP CC(C)C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000334849732 386899106 /nfs/dbraw/zinc/89/91/06/386899106.db2.gz ZNQFMUDRXNKHLP-UONOGXRCSA-N 2 2 236.334 2.208 20 0 BEADLP CC(C)C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000334859806 386912491 /nfs/dbraw/zinc/91/24/91/386912491.db2.gz LTLGGGILTHQJLW-GXTWGEPZSA-N 2 2 236.334 2.208 20 0 BEADLP CC(C)C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000334859806 386912494 /nfs/dbraw/zinc/91/24/94/386912494.db2.gz LTLGGGILTHQJLW-GXTWGEPZSA-N 2 2 236.334 2.208 20 0 BEADLP CC(C)([NH3+])CNc1ccc2c(c1)CCC[NH2+]2 ZINC000334865486 386922336 /nfs/dbraw/zinc/92/23/36/386922336.db2.gz URLNDQAYDUOIDE-UHFFFAOYSA-N 2 2 219.332 2.194 20 0 BEADLP Clc1csc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000334866074 386924475 /nfs/dbraw/zinc/92/44/75/386924475.db2.gz WBTSOAVDKRFMLU-SECBINFHSA-N 2 2 230.764 2.243 20 0 BEADLP [NH3+]C[C@@H]1C[N@H+](CCCC2CCCCC2)CCO1 ZINC000395100853 386926484 /nfs/dbraw/zinc/92/64/84/386926484.db2.gz HUIPUBMDNGDOGU-CQSZACIVSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCO1 ZINC000395100853 386926488 /nfs/dbraw/zinc/92/64/88/386926488.db2.gz HUIPUBMDNGDOGU-CQSZACIVSA-N 2 2 240.391 2.006 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000334872291 386932398 /nfs/dbraw/zinc/93/23/98/386932398.db2.gz CWOKVYSYESZTBS-ZDUSSCGKSA-N 2 2 218.344 2.225 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000334873900 386934268 /nfs/dbraw/zinc/93/42/68/386934268.db2.gz KLJBAJZAJFFQQA-GFCCVEGCSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000334875589 386936738 /nfs/dbraw/zinc/93/67/38/386936738.db2.gz VQRKCHHMIQAPRC-LLVKDONJSA-N 2 2 224.373 2.287 20 0 BEADLP CC[N@H+](C)[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302783332 386937277 /nfs/dbraw/zinc/93/72/77/386937277.db2.gz TWWKYDDBNQDQNY-LBPRGKRZSA-N 2 2 248.374 2.130 20 0 BEADLP CC[N@@H+](C)[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302783332 386937283 /nfs/dbraw/zinc/93/72/83/386937283.db2.gz TWWKYDDBNQDQNY-LBPRGKRZSA-N 2 2 248.374 2.130 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000425363294 386970157 /nfs/dbraw/zinc/97/01/57/386970157.db2.gz WSLQRQYKKKIVFH-RWMBFGLXSA-N 2 2 244.448 2.446 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000425363293 386971623 /nfs/dbraw/zinc/97/16/23/386971623.db2.gz WSLQRQYKKKIVFH-JHJVBQTASA-N 2 2 244.448 2.446 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)CC(C)(C)C ZINC000395193122 386980402 /nfs/dbraw/zinc/98/04/02/386980402.db2.gz XILWUZICEVIMJP-FRRDWIJNSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000514590527 387008486 /nfs/dbraw/zinc/00/84/86/387008486.db2.gz WKSJMVPRQRPFRX-LLVKDONJSA-N 2 2 238.400 2.363 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425384027 387034974 /nfs/dbraw/zinc/03/49/74/387034974.db2.gz QCNQPDHJEUQXAH-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425384027 387034975 /nfs/dbraw/zinc/03/49/75/387034975.db2.gz QCNQPDHJEUQXAH-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000334967720 387051548 /nfs/dbraw/zinc/05/15/48/387051548.db2.gz JLJBEWWXNNHTAT-LLVKDONJSA-N 2 2 218.344 2.127 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000334967720 387051552 /nfs/dbraw/zinc/05/15/52/387051552.db2.gz JLJBEWWXNNHTAT-LLVKDONJSA-N 2 2 218.344 2.127 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227605306 387055202 /nfs/dbraw/zinc/05/52/02/387055202.db2.gz VESDSDPLAUHMIS-BNOWGMLFSA-N 2 2 224.392 2.495 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000053149567 387019310 /nfs/dbraw/zinc/01/93/10/387019310.db2.gz MXVZIOXGOYZDKK-SNVBAGLBSA-N 2 2 242.725 2.321 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000053201883 387020605 /nfs/dbraw/zinc/02/06/05/387020605.db2.gz OAWMYRGZTOLVKT-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000053201883 387020613 /nfs/dbraw/zinc/02/06/13/387020613.db2.gz OAWMYRGZTOLVKT-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000053201395 387021081 /nfs/dbraw/zinc/02/10/81/387021081.db2.gz IXQQEXHYEJTHEQ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000053201395 387021084 /nfs/dbraw/zinc/02/10/84/387021084.db2.gz IXQQEXHYEJTHEQ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C)C1CC1 ZINC000322126017 387022963 /nfs/dbraw/zinc/02/29/63/387022963.db2.gz DDBKOEGKPPNTAL-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C)C1CC1 ZINC000322126017 387022965 /nfs/dbraw/zinc/02/29/65/387022965.db2.gz DDBKOEGKPPNTAL-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000334980260 387068711 /nfs/dbraw/zinc/06/87/11/387068711.db2.gz LCSAQMLUHQMVGZ-ZYHUDNBSSA-N 2 2 236.384 2.188 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000334980260 387068713 /nfs/dbraw/zinc/06/87/13/387068713.db2.gz LCSAQMLUHQMVGZ-ZYHUDNBSSA-N 2 2 236.384 2.188 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000334991210 387080592 /nfs/dbraw/zinc/08/05/92/387080592.db2.gz BZJYMACJTOVLQW-GXTWGEPZSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000334991210 387080599 /nfs/dbraw/zinc/08/05/99/387080599.db2.gz BZJYMACJTOVLQW-GXTWGEPZSA-N 2 2 249.358 2.120 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CCCC2)C[N@@H+]1C1CC1 ZINC000129877245 387099902 /nfs/dbraw/zinc/09/99/02/387099902.db2.gz XIHCUNFTCYWUIB-JQWIXIFHSA-N 2 2 208.349 2.144 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CCCC2)C[N@H+]1C1CC1 ZINC000129877245 387099908 /nfs/dbraw/zinc/09/99/08/387099908.db2.gz XIHCUNFTCYWUIB-JQWIXIFHSA-N 2 2 208.349 2.144 20 0 BEADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccco1 ZINC000335026394 387118298 /nfs/dbraw/zinc/11/82/98/387118298.db2.gz ZVPXVOOSACPFSF-VXGBXAGGSA-N 2 2 208.305 2.029 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250695111 387121197 /nfs/dbraw/zinc/12/11/97/387121197.db2.gz BCDMVGZNVYTDHT-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250695111 387121200 /nfs/dbraw/zinc/12/12/00/387121200.db2.gz BCDMVGZNVYTDHT-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000335028751 387122458 /nfs/dbraw/zinc/12/24/58/387122458.db2.gz USOQIUOWKUJVDO-ZFWWWQNUSA-N 2 2 230.355 2.324 20 0 BEADLP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335030281 387123995 /nfs/dbraw/zinc/12/39/95/387123995.db2.gz BJIGOUCKZZPFCK-BXUZGUMPSA-N 2 2 246.354 2.111 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335030250 387125299 /nfs/dbraw/zinc/12/52/99/387125299.db2.gz AQXGSUUKHIWLAH-JSGCOSHPSA-N 2 2 234.318 2.155 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000336766838 387127216 /nfs/dbraw/zinc/12/72/16/387127216.db2.gz RXNLRXNHQXRHBY-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000336766838 387127221 /nfs/dbraw/zinc/12/72/21/387127221.db2.gz RXNLRXNHQXRHBY-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1Cl ZINC000423299038 387129110 /nfs/dbraw/zinc/12/91/10/387129110.db2.gz AUNFQUNCOILBDF-SECBINFHSA-N 2 2 224.735 2.210 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccccc21 ZINC000423308957 387146738 /nfs/dbraw/zinc/14/67/38/387146738.db2.gz KIOFYJQOZFMSCD-CQSZACIVSA-N 2 2 218.344 2.263 20 0 BEADLP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1Cl ZINC000423309346 387146934 /nfs/dbraw/zinc/14/69/34/387146934.db2.gz ZEPSTOVRFZIPAN-QMMMGPOBSA-N 2 2 242.725 2.349 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423313163 387150694 /nfs/dbraw/zinc/15/06/94/387150694.db2.gz UDTHWIDMSNIFFY-GFCCVEGCSA-N 2 2 238.379 2.114 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1F ZINC000423312825 387151864 /nfs/dbraw/zinc/15/18/64/387151864.db2.gz DTPYXASVJZSIPQ-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423314951 387154425 /nfs/dbraw/zinc/15/44/25/387154425.db2.gz IGCREFHWQYJHKA-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423315842 387157494 /nfs/dbraw/zinc/15/74/94/387157494.db2.gz BBNCJDQMYLBJTC-NSHDSACASA-N 2 2 234.343 2.227 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1F ZINC000423318758 387159367 /nfs/dbraw/zinc/15/93/67/387159367.db2.gz DPVSBZSUEQFOAB-SKDRFNHKSA-N 2 2 210.296 2.214 20 0 BEADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[NH2+]CCOC ZINC000423319806 387162545 /nfs/dbraw/zinc/16/25/45/387162545.db2.gz DBVUTZZHXMZGAK-MCIONIFRSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423322998 387164898 /nfs/dbraw/zinc/16/48/98/387164898.db2.gz JDKRCSOMMPYVHY-RQJHMYQMSA-N 2 2 232.249 2.102 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000423322730 387164945 /nfs/dbraw/zinc/16/49/45/387164945.db2.gz GRSYZNNDZZDWOK-KBPBESRZSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)ccc1F ZINC000423322612 387165321 /nfs/dbraw/zinc/16/53/21/387165321.db2.gz NWGZYYQZKPMEFH-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)ccc1F ZINC000423322609 387165939 /nfs/dbraw/zinc/16/59/39/387165939.db2.gz NWGZYYQZKPMEFH-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cn1 ZINC000423330641 387175394 /nfs/dbraw/zinc/17/53/94/387175394.db2.gz PMPMGMPXUQRCBL-NSHDSACASA-N 2 2 237.322 2.143 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423332316 387178647 /nfs/dbraw/zinc/17/86/47/387178647.db2.gz NDCZDZQRZFWPNV-SWLSCSKDSA-N 2 2 248.370 2.061 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](CO)C2)c[nH+]1 ZINC000353361465 387188285 /nfs/dbraw/zinc/18/82/85/387188285.db2.gz AMSAHYHKNVHURA-HNNXBMFYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC[C@H](CO)C2)c[nH+]1 ZINC000353361465 387188291 /nfs/dbraw/zinc/18/82/91/387188291.db2.gz AMSAHYHKNVHURA-HNNXBMFYSA-N 2 2 248.370 2.027 20 0 BEADLP c1cn(C2CC[NH+](C3CCCC3)CC2)c[nH+]1 ZINC000120133664 387189632 /nfs/dbraw/zinc/18/96/32/387189632.db2.gz URGPZJKGTXMLSQ-UHFFFAOYSA-N 2 2 219.332 2.463 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000423304000 387137179 /nfs/dbraw/zinc/13/71/79/387137179.db2.gz XXRYGDDDUSLVTH-WCQYABFASA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1F ZINC000423304337 387139736 /nfs/dbraw/zinc/13/97/36/387139736.db2.gz YJLCKZVDLRTAKR-WDEREUQCSA-N 2 2 239.338 2.389 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423353748 387204782 /nfs/dbraw/zinc/20/47/82/387204782.db2.gz CEOKEVXADIWSPT-KMUNFCNLSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000571914987 387205306 /nfs/dbraw/zinc/20/53/06/387205306.db2.gz ABFQACDHMQYXNC-CABCVRRESA-N 2 2 248.370 2.073 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423354959 387206060 /nfs/dbraw/zinc/20/60/60/387206060.db2.gz DIPIKEGEBZQSHC-XUJVJEKNSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000423357535 387207736 /nfs/dbraw/zinc/20/77/36/387207736.db2.gz IGVXTHXUIBBOAX-VCTAVGKDSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])C2CCC2)o1 ZINC000423366448 387218917 /nfs/dbraw/zinc/21/89/17/387218917.db2.gz LNAKDYJGZDQPOD-ZANVPECISA-N 2 2 222.332 2.366 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572012408 387220575 /nfs/dbraw/zinc/22/05/75/387220575.db2.gz ZKRQKZOHQYAYPG-JSGCOSHPSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572012408 387220580 /nfs/dbraw/zinc/22/05/80/387220580.db2.gz ZKRQKZOHQYAYPG-JSGCOSHPSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423369183 387221659 /nfs/dbraw/zinc/22/16/59/387221659.db2.gz SOMNCQPNKQDWIX-SGMGOOAPSA-N 2 2 218.344 2.335 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423371268 387224208 /nfs/dbraw/zinc/22/42/08/387224208.db2.gz UYTYNZVEZBXIPM-MBNYWOFBSA-N 2 2 247.386 2.293 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423369420 387224678 /nfs/dbraw/zinc/22/46/78/387224678.db2.gz BZGQZZAQDGZNFC-NEPJUHHUSA-N 2 2 221.348 2.039 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1F ZINC000423372473 387226170 /nfs/dbraw/zinc/22/61/70/387226170.db2.gz GLUWRVRAERXURS-GHMZBOCLSA-N 2 2 224.323 2.474 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cnccc1C ZINC000423371807 387227171 /nfs/dbraw/zinc/22/71/71/387227171.db2.gz FUKKIJTYKLQMOA-VXGBXAGGSA-N 2 2 221.348 2.039 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423397016 387232727 /nfs/dbraw/zinc/23/27/27/387232727.db2.gz NZEJGGLTTQYNCD-QWRGUYRKSA-N 2 2 229.327 2.233 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423402055 387238078 /nfs/dbraw/zinc/23/80/78/387238078.db2.gz YECRTUHUHAXDJQ-IAQYHMDHSA-N 2 2 248.370 2.357 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cs1 ZINC000423408290 387242748 /nfs/dbraw/zinc/24/27/48/387242748.db2.gz XEWKTJCQVFVAPT-WCABBAIRSA-N 2 2 239.388 2.100 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCCO1 ZINC000063074098 387247703 /nfs/dbraw/zinc/24/77/03/387247703.db2.gz AEORBYSNRBZWGE-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCCO1 ZINC000063074098 387247708 /nfs/dbraw/zinc/24/77/08/387247708.db2.gz AEORBYSNRBZWGE-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1F ZINC000423418855 387249498 /nfs/dbraw/zinc/24/94/98/387249498.db2.gz AIDRZZZROQRQLU-WVWOOGAGSA-N 2 2 234.318 2.084 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1C1CC1)C2 ZINC000353652837 387251406 /nfs/dbraw/zinc/25/14/06/387251406.db2.gz XUGWSOUWNUTZOJ-JHJVBQTASA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1C1CC1)CC2 ZINC000353652837 387251409 /nfs/dbraw/zinc/25/14/09/387251409.db2.gz XUGWSOUWNUTZOJ-JHJVBQTASA-N 2 2 245.370 2.435 20 0 BEADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C(C)C)cc1 ZINC000423344887 387194304 /nfs/dbraw/zinc/19/43/04/387194304.db2.gz XEFSWEOHIZBYIO-LSDHHAIUSA-N 2 2 248.370 2.139 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423375266 387255918 /nfs/dbraw/zinc/25/59/18/387255918.db2.gz XTTORSWNKQVHNY-MBNYWOFBSA-N 2 2 233.359 2.039 20 0 BEADLP C[NH2+][C@H](C)C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423376465 387257738 /nfs/dbraw/zinc/25/77/38/387257738.db2.gz ATDBBIQQZZBDNT-RULNRJAQSA-N 2 2 236.334 2.257 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccn1 ZINC000423470891 387317070 /nfs/dbraw/zinc/31/70/70/387317070.db2.gz PKCYFXGONGQAOX-RYUDHWBXSA-N 2 2 221.348 2.250 20 0 BEADLP CC(C)C[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccn1 ZINC000423377701 387259781 /nfs/dbraw/zinc/25/97/81/387259781.db2.gz WDNLXJNHKVSKKS-AAEUAGOBSA-N 2 2 221.348 2.106 20 0 BEADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423379442 387260125 /nfs/dbraw/zinc/26/01/25/387260125.db2.gz XRWTYIKFBWWEJH-DTWKUNHWSA-N 2 2 242.750 2.346 20 0 BEADLP COCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000230647789 387269480 /nfs/dbraw/zinc/26/94/80/387269480.db2.gz PQQVNJIXXJSRKR-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000230647789 387269484 /nfs/dbraw/zinc/26/94/84/387269484.db2.gz PQQVNJIXXJSRKR-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])o1 ZINC000423440310 387291608 /nfs/dbraw/zinc/29/16/08/387291608.db2.gz IMRLTDQGNXKVEE-AEJSXWLSSA-N 2 2 210.321 2.228 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1sccc1OC ZINC000423458750 387306239 /nfs/dbraw/zinc/30/62/39/387306239.db2.gz HEWYGTYLOFOKJG-RKDXNWHRSA-N 2 2 228.361 2.145 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502122 387356127 /nfs/dbraw/zinc/35/61/27/387356127.db2.gz XPDXETRAQIAVGM-TZMCWYRMSA-N 2 2 247.386 2.437 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCCOC2)c[nH+]1 ZINC000354329698 387361196 /nfs/dbraw/zinc/36/11/96/387361196.db2.gz LTPOLFDEJNUJNT-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc(C)n1 ZINC000423543387 387367478 /nfs/dbraw/zinc/36/74/78/387367478.db2.gz HEXWVQCDFKCQGJ-HIFRSBDPSA-N 2 2 247.386 2.319 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000423542857 387368909 /nfs/dbraw/zinc/36/89/09/387368909.db2.gz BEHPNFZMJUSLID-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556890 387375919 /nfs/dbraw/zinc/37/59/19/387375919.db2.gz MXQVUYQKTRXDEY-CHWSQXEVSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)no1 ZINC000336554246 387378809 /nfs/dbraw/zinc/37/88/09/387378809.db2.gz MFDSKLYPOBERIG-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP COC[C@H]1CC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000354056445 387322277 /nfs/dbraw/zinc/32/22/77/387322277.db2.gz IECSHCRYYKSAPH-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP COC[C@H]1CC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000354056445 387322285 /nfs/dbraw/zinc/32/22/85/387322285.db2.gz IECSHCRYYKSAPH-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423476852 387323714 /nfs/dbraw/zinc/32/37/14/387323714.db2.gz SRKQYZJOZWTTSH-IONNQARKSA-N 2 2 246.276 2.492 20 0 BEADLP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cn1 ZINC000360984968 387382586 /nfs/dbraw/zinc/38/25/86/387382586.db2.gz SYGYAWASVLORBE-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000515050167 387334444 /nfs/dbraw/zinc/33/44/44/387334444.db2.gz DSSOYXITKKEFLX-BXUZGUMPSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000515050167 387334447 /nfs/dbraw/zinc/33/44/47/387334447.db2.gz DSSOYXITKKEFLX-BXUZGUMPSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000515050169 387334842 /nfs/dbraw/zinc/33/48/42/387334842.db2.gz DSSOYXITKKEFLX-RISCZKNCSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000515050169 387334847 /nfs/dbraw/zinc/33/48/47/387334847.db2.gz DSSOYXITKKEFLX-RISCZKNCSA-N 2 2 233.359 2.291 20 0 BEADLP Cc1ccc(CCC[NH2+]C2CCOCC2)c[nH+]1 ZINC000354157403 387338294 /nfs/dbraw/zinc/33/82/94/387338294.db2.gz IGKQIDCZYJPUGU-UHFFFAOYSA-N 2 2 234.343 2.091 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccn1 ZINC000423494869 387338821 /nfs/dbraw/zinc/33/88/21/387338821.db2.gz BDSWXHUJBSHFDS-FZMZJTMJSA-N 2 2 233.359 2.250 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1C[C@H]1C ZINC000321972593 387339287 /nfs/dbraw/zinc/33/92/87/387339287.db2.gz BBVDICZXIZGCIY-VOAKCMCISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1C[C@H]1C ZINC000321972593 387339291 /nfs/dbraw/zinc/33/92/91/387339291.db2.gz BBVDICZXIZGCIY-VOAKCMCISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)[C@@H]1C[C@@H]1C ZINC000321997154 387344005 /nfs/dbraw/zinc/34/40/05/387344005.db2.gz FYZXLPTXSDYPEQ-FQUUOJAGSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)[C@@H]1C[C@@H]1C ZINC000321997154 387344012 /nfs/dbraw/zinc/34/40/12/387344012.db2.gz FYZXLPTXSDYPEQ-FQUUOJAGSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)[C@H]1C[C@H]1C ZINC000321975897 387345241 /nfs/dbraw/zinc/34/52/41/387345241.db2.gz BSAJBYYPTYRDSB-XBFCOCLRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)[C@H]1C[C@H]1C ZINC000321975897 387345245 /nfs/dbraw/zinc/34/52/45/387345245.db2.gz BSAJBYYPTYRDSB-XBFCOCLRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)[C@@H]1C[C@H]1C ZINC000321975893 387345295 /nfs/dbraw/zinc/34/52/95/387345295.db2.gz BSAJBYYPTYRDSB-BNOWGMLFSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)[C@@H]1C[C@H]1C ZINC000321975893 387345300 /nfs/dbraw/zinc/34/53/00/387345300.db2.gz BSAJBYYPTYRDSB-BNOWGMLFSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423511080 387347418 /nfs/dbraw/zinc/34/74/18/387347418.db2.gz AGPWEKNHMAMWOX-AWEZNQCLSA-N 2 2 242.407 2.025 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cncc(F)c1 ZINC000643501358 387352777 /nfs/dbraw/zinc/35/27/77/387352777.db2.gz DXMUVOYKYPXLQW-MFKMUULPSA-N 2 2 237.322 2.013 20 0 BEADLP CSCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214608 387433012 /nfs/dbraw/zinc/43/30/12/387433012.db2.gz YLPURFAUYDYQEL-UHFFFAOYSA-N 2 2 239.388 2.342 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643505239 387449330 /nfs/dbraw/zinc/44/93/30/387449330.db2.gz OFJDJKAPKVFUES-CYBMUJFWSA-N 2 2 240.297 2.151 20 0 BEADLP CSC1(C[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000304239446 387449475 /nfs/dbraw/zinc/44/94/75/387449475.db2.gz CTDGEFNKRZRTNP-UHFFFAOYSA-N 2 2 242.432 2.348 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000084517103 387451986 /nfs/dbraw/zinc/45/19/86/387451986.db2.gz SFDQGGHLTCLVGS-HNNXBMFYSA-N 2 2 232.371 2.453 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506467 387459112 /nfs/dbraw/zinc/45/91/12/387459112.db2.gz XVMLXOUPLPRQIO-CQSZACIVSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1ccc(CCC[NH2+]C(C)(C)[C@H](C)O)c[nH+]1 ZINC000354562707 387395692 /nfs/dbraw/zinc/39/56/92/387395692.db2.gz GVGCMYGNOHBEIU-LBPRGKRZSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC000354561266 387395795 /nfs/dbraw/zinc/39/57/95/387395795.db2.gz BBABIRHBUMBBJB-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CO2 ZINC000643467367 387396581 /nfs/dbraw/zinc/39/65/81/387396581.db2.gz NQHAANNIKOHYSH-MRVWCRGKSA-N 2 2 246.354 2.159 20 0 BEADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000354588796 387399697 /nfs/dbraw/zinc/39/96/97/387399697.db2.gz XASVIBABXMCVQJ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@H]1CCOC1 ZINC000361235796 387420434 /nfs/dbraw/zinc/42/04/34/387420434.db2.gz FQXILKREELGRNN-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@H]1CCOC1 ZINC000361235796 387420439 /nfs/dbraw/zinc/42/04/39/387420439.db2.gz FQXILKREELGRNN-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](O)CC2)c[nH+]1 ZINC000354727558 387422830 /nfs/dbraw/zinc/42/28/30/387422830.db2.gz GDSHVGQKIPDHAK-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC[C@H](O)CC2)c[nH+]1 ZINC000354727558 387422842 /nfs/dbraw/zinc/42/28/42/387422842.db2.gz GDSHVGQKIPDHAK-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)C[C@H]1C ZINC000527219149 387538443 /nfs/dbraw/zinc/53/84/43/387538443.db2.gz IHRZLMUDOXDWIL-VXGBXAGGSA-N 2 2 228.355 2.293 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)CC2(F)CC2)C[C@H]1C ZINC000527219149 387538447 /nfs/dbraw/zinc/53/84/47/387538447.db2.gz IHRZLMUDOXDWIL-VXGBXAGGSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)CC2(F)CC2)C[C@H]1C ZINC000527219149 387538451 /nfs/dbraw/zinc/53/84/51/387538451.db2.gz IHRZLMUDOXDWIL-VXGBXAGGSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(F)CC2)C[C@H]1C ZINC000527219149 387538456 /nfs/dbraw/zinc/53/84/56/387538456.db2.gz IHRZLMUDOXDWIL-VXGBXAGGSA-N 2 2 228.355 2.293 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c(C)n1 ZINC000643506846 387462634 /nfs/dbraw/zinc/46/26/34/387462634.db2.gz KBMTYSOZRLQTQE-NSHDSACASA-N 2 2 233.359 2.101 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]CC[NH2+]C1CC1 ZINC000643505849 387464538 /nfs/dbraw/zinc/46/45/38/387464538.db2.gz BMPJMPYBGKHLLM-JTQLQIEISA-N 2 2 224.373 2.021 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506263 387466213 /nfs/dbraw/zinc/46/62/13/387466213.db2.gz QBOYOKZPJWJJDZ-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(F)cc(F)c1 ZINC000643506312 387466365 /nfs/dbraw/zinc/46/63/65/387466365.db2.gz RQWPFGVWJMQVKK-VIFPVBQESA-N 2 2 240.297 2.367 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506066 387466720 /nfs/dbraw/zinc/46/67/20/387466720.db2.gz JQHYWVIBGJYAAL-OAHLLOKOSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc2C1)[NH+](C)C ZINC000648498048 387467391 /nfs/dbraw/zinc/46/73/91/387467391.db2.gz GRHCOZMDMSATJI-BBRMVZONSA-N 2 2 246.398 2.474 20 0 BEADLP CCc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000352766755 387469784 /nfs/dbraw/zinc/46/97/84/387469784.db2.gz AJUXBFOMNNQWNR-LBPRGKRZSA-N 2 2 244.342 2.019 20 0 BEADLP Oc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643507525 387477630 /nfs/dbraw/zinc/47/76/30/387477630.db2.gz HLIVDKCHOWMXRK-HNNXBMFYSA-N 2 2 246.354 2.111 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396712866 387483881 /nfs/dbraw/zinc/48/38/81/387483881.db2.gz RTCWMQGLBVLNPQ-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC[C@H](C)O)c[nH+]1 ZINC000355130654 387484635 /nfs/dbraw/zinc/48/46/35/387484635.db2.gz XUFIMRDSDJGORP-ZDUSSCGKSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1occc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000643472216 387484678 /nfs/dbraw/zinc/48/46/78/387484678.db2.gz IEBJQCVISCIURP-GXFFZTMASA-N 2 2 222.332 2.208 20 0 BEADLP Cc1occc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000643472218 387486060 /nfs/dbraw/zinc/48/60/60/387486060.db2.gz IEBJQCVISCIURP-ZWNOBZJWSA-N 2 2 222.332 2.208 20 0 BEADLP Cc1nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)oc1C ZINC000123726243 387592657 /nfs/dbraw/zinc/59/26/57/387592657.db2.gz KBULAJDHQBGFCB-LBPRGKRZSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)oc1C ZINC000123726243 387592663 /nfs/dbraw/zinc/59/26/63/387592663.db2.gz KBULAJDHQBGFCB-LBPRGKRZSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000643511763 387593986 /nfs/dbraw/zinc/59/39/86/387593986.db2.gz GPGWXOCUOBUMOO-WCBMZHEXSA-N 2 2 227.377 2.085 20 0 BEADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccn1 ZINC000527538200 387606306 /nfs/dbraw/zinc/60/63/06/387606306.db2.gz FIGVVDAMCJDFAG-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccn1 ZINC000527538200 387606309 /nfs/dbraw/zinc/60/63/09/387606309.db2.gz FIGVVDAMCJDFAG-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP CCc1nc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422701834 387617875 /nfs/dbraw/zinc/61/78/75/387617875.db2.gz CREIKZZTYKKIQU-UTLUCORTSA-N 2 2 241.404 2.482 20 0 BEADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cs1 ZINC000527533467 387625902 /nfs/dbraw/zinc/62/59/02/387625902.db2.gz VUZKOESMMOWNER-LLVKDONJSA-N 2 2 222.357 2.122 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000036996841 387558185 /nfs/dbraw/zinc/55/81/85/387558185.db2.gz SQYDKVRHQXZCJM-NWANDNLSSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1 ZINC000036996841 387558189 /nfs/dbraw/zinc/55/81/89/387558189.db2.gz SQYDKVRHQXZCJM-NWANDNLSSA-N 2 2 245.370 2.359 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccnc(C)c2)CC1 ZINC000527536241 387630504 /nfs/dbraw/zinc/63/05/04/387630504.db2.gz VDRFUOZUDFROJV-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(C)c2)CC1 ZINC000527536241 387630509 /nfs/dbraw/zinc/63/05/09/387630509.db2.gz VDRFUOZUDFROJV-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422722364 387633095 /nfs/dbraw/zinc/63/30/95/387633095.db2.gz XKEVTVKOTLBKFL-ZIAGYGMSSA-N 2 2 248.370 2.443 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631309 387643806 /nfs/dbraw/zinc/64/38/06/387643806.db2.gz IVHUHUBCFVCFEI-MXAVVETBSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631309 387643811 /nfs/dbraw/zinc/64/38/11/387643811.db2.gz IVHUHUBCFVCFEI-MXAVVETBSA-N 2 2 236.403 2.495 20 0 BEADLP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745995 387649340 /nfs/dbraw/zinc/64/93/40/387649340.db2.gz YSBDBLDCHHFDCZ-NWANDNLSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccn1 ZINC000527650282 387659741 /nfs/dbraw/zinc/65/97/41/387659741.db2.gz XOCNKYYYAXNLQL-LBPRGKRZSA-N 2 2 244.342 2.012 20 0 BEADLP CC[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)OC ZINC000356530222 387668667 /nfs/dbraw/zinc/66/86/67/387668667.db2.gz RANCTLIGSOKXCE-CQSZACIVSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714009 387669538 /nfs/dbraw/zinc/66/95/38/387669538.db2.gz YDJWVYMNYCHPOS-RYDUCSDGSA-N 2 2 245.370 2.291 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714009 387669544 /nfs/dbraw/zinc/66/95/44/387669544.db2.gz YDJWVYMNYCHPOS-RYDUCSDGSA-N 2 2 245.370 2.291 20 0 BEADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1C ZINC000422771029 387671337 /nfs/dbraw/zinc/67/13/37/387671337.db2.gz XKCWUEHUZNQYGX-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]([NH2+]Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000422777288 387674627 /nfs/dbraw/zinc/67/46/27/387674627.db2.gz FHRRBGMDYPERLU-MRVPVSSYSA-N 2 2 242.725 2.177 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781017 387680863 /nfs/dbraw/zinc/68/08/63/387680863.db2.gz JZKPHQONTFDZSE-MRVWCRGKSA-N 2 2 233.359 2.263 20 0 BEADLP COC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C(C)C ZINC000126346159 387681192 /nfs/dbraw/zinc/68/11/92/387681192.db2.gz LVXTXOGQFYCFAO-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000440775013 387692840 /nfs/dbraw/zinc/69/28/40/387692840.db2.gz LQORGHKXUOXYLL-KBPBESRZSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000440775013 387692845 /nfs/dbraw/zinc/69/28/45/387692845.db2.gz LQORGHKXUOXYLL-KBPBESRZSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000440775013 387692850 /nfs/dbraw/zinc/69/28/50/387692850.db2.gz LQORGHKXUOXYLL-KBPBESRZSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000440775013 387692855 /nfs/dbraw/zinc/69/28/55/387692855.db2.gz LQORGHKXUOXYLL-KBPBESRZSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000440775015 387693558 /nfs/dbraw/zinc/69/35/58/387693558.db2.gz LQORGHKXUOXYLL-UONOGXRCSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000440775015 387693562 /nfs/dbraw/zinc/69/35/62/387693562.db2.gz LQORGHKXUOXYLL-UONOGXRCSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000440775015 387693567 /nfs/dbraw/zinc/69/35/67/387693567.db2.gz LQORGHKXUOXYLL-UONOGXRCSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000440775015 387693571 /nfs/dbraw/zinc/69/35/71/387693571.db2.gz LQORGHKXUOXYLL-UONOGXRCSA-N 2 2 242.382 2.398 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ncccc2F)n1C ZINC000527827349 387745115 /nfs/dbraw/zinc/74/51/15/387745115.db2.gz BYCPUNSRPWBPGT-VIFPVBQESA-N 2 2 248.305 2.113 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527841263 387751662 /nfs/dbraw/zinc/75/16/62/387751662.db2.gz BNSDACGLNDNBGN-RYUDHWBXSA-N 2 2 219.332 2.051 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CC12CC2 ZINC000527844555 387752610 /nfs/dbraw/zinc/75/26/10/387752610.db2.gz GRIWKLULXQZAPG-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)C[N@@H+]1C1CC1 ZINC000157156524 387753791 /nfs/dbraw/zinc/75/37/91/387753791.db2.gz CMFHFNJUYUBRAQ-RKDXNWHRSA-N 2 2 236.281 2.154 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC(F)(F)F)C[N@H+]1C1CC1 ZINC000157156524 387753792 /nfs/dbraw/zinc/75/37/92/387753792.db2.gz CMFHFNJUYUBRAQ-RKDXNWHRSA-N 2 2 236.281 2.154 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000422798870 387699697 /nfs/dbraw/zinc/69/96/97/387699697.db2.gz TXKWLQJGVNDMDA-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@H](F)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000440787501 387700456 /nfs/dbraw/zinc/70/04/56/387700456.db2.gz WATJBLPSAYETNC-NSHDSACASA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@H](F)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000440792220 387702797 /nfs/dbraw/zinc/70/27/97/387702797.db2.gz ROIQGJDPMWYPRK-GRYCIOLGSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000440792220 387702800 /nfs/dbraw/zinc/70/28/00/387702800.db2.gz ROIQGJDPMWYPRK-GRYCIOLGSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000440792220 387702805 /nfs/dbraw/zinc/70/28/05/387702805.db2.gz ROIQGJDPMWYPRK-GRYCIOLGSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000440792220 387702810 /nfs/dbraw/zinc/70/28/10/387702810.db2.gz ROIQGJDPMWYPRK-GRYCIOLGSA-N 2 2 216.344 2.149 20 0 BEADLP Cn1cccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127773863 387726043 /nfs/dbraw/zinc/72/60/43/387726043.db2.gz GMPLUGHHQZLZIN-UHFFFAOYSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000643525970 387755803 /nfs/dbraw/zinc/75/58/03/387755803.db2.gz KYPNTHSELMALGR-BQBZGAKWSA-N 2 2 218.753 2.399 20 0 BEADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c[nH]1 ZINC000527806348 387732441 /nfs/dbraw/zinc/73/24/41/387732441.db2.gz JOPZYXSINPJYDK-AWEZNQCLSA-N 2 2 233.359 2.121 20 0 BEADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c[nH]1 ZINC000527806348 387732445 /nfs/dbraw/zinc/73/24/45/387732445.db2.gz JOPZYXSINPJYDK-AWEZNQCLSA-N 2 2 233.359 2.121 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000356879434 387737647 /nfs/dbraw/zinc/73/76/47/387737647.db2.gz TVEVFUXWHXPHBI-LBPRGKRZSA-N 2 2 235.375 2.246 20 0 BEADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCC2 ZINC000643527066 387764212 /nfs/dbraw/zinc/76/42/12/387764212.db2.gz CPNBSMLAVXXBPL-RKDXNWHRSA-N 2 2 239.388 2.020 20 0 BEADLP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422908670 387770073 /nfs/dbraw/zinc/77/00/73/387770073.db2.gz DOGMRPUZTIQPHY-UONOGXRCSA-N 2 2 234.343 2.098 20 0 BEADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCCO2 ZINC000643528524 387770455 /nfs/dbraw/zinc/77/04/55/387770455.db2.gz KNQYWDRQTZZNAQ-OCCSQVGLSA-N 2 2 248.370 2.454 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1F ZINC000643529237 387772675 /nfs/dbraw/zinc/77/26/75/387772675.db2.gz XLRRLBCEEIFENS-PELKAZGASA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000643529239 387772825 /nfs/dbraw/zinc/77/28/25/387772825.db2.gz XLRRLBCEEIFENS-QPUJVOFHSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCCO2 ZINC000643529230 387774240 /nfs/dbraw/zinc/77/42/40/387774240.db2.gz XCYCSCCRRPGBLE-JSGCOSHPSA-N 2 2 248.370 2.454 20 0 BEADLP CCN(CC)c1ccc(N[C@@H]2CCC[C@@H]2[NH3+])c[nH+]1 ZINC000422978972 387788830 /nfs/dbraw/zinc/78/88/30/387788830.db2.gz IIBGBUWBZOQAFB-QWHCGFSZSA-N 2 2 248.374 2.220 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC000309506225 387813027 /nfs/dbraw/zinc/81/30/27/387813027.db2.gz VZBOYDTZHKNVSZ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC000309506225 387813033 /nfs/dbraw/zinc/81/30/33/387813033.db2.gz VZBOYDTZHKNVSZ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527999175 387805416 /nfs/dbraw/zinc/80/54/16/387805416.db2.gz FPEUGFHGJPFLIQ-YIZWMMSDSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527999175 387805420 /nfs/dbraw/zinc/80/54/20/387805420.db2.gz FPEUGFHGJPFLIQ-YIZWMMSDSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527854823 387756956 /nfs/dbraw/zinc/75/69/56/387756956.db2.gz XFKVLYIOXFTPQD-MCIONIFRSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527854823 387756961 /nfs/dbraw/zinc/75/69/61/387756961.db2.gz XFKVLYIOXFTPQD-MCIONIFRSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000422958509 387811686 /nfs/dbraw/zinc/81/16/86/387811686.db2.gz PJDAQTPSNJZBSU-UHIISALHSA-N 2 2 216.328 2.186 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527855381 387758106 /nfs/dbraw/zinc/75/81/06/387758106.db2.gz XAVMLIOONKDDLL-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527855381 387758111 /nfs/dbraw/zinc/75/81/11/387758111.db2.gz XAVMLIOONKDDLL-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527855383 387758799 /nfs/dbraw/zinc/75/87/99/387758799.db2.gz XAVMLIOONKDDLL-RWMBFGLXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527855383 387758804 /nfs/dbraw/zinc/75/88/04/387758804.db2.gz XAVMLIOONKDDLL-RWMBFGLXSA-N 2 2 222.376 2.249 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643527038 387760304 /nfs/dbraw/zinc/76/03/04/387760304.db2.gz CFAWBUPAXVFRFB-WDEREUQCSA-N 2 2 222.332 2.001 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cc(C)ccc1OC ZINC000643527031 387760537 /nfs/dbraw/zinc/76/05/37/387760537.db2.gz BYAAWJNACQEVOT-AAEUAGOBSA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(C)ccc1OC ZINC000643527033 387761409 /nfs/dbraw/zinc/76/14/09/387761409.db2.gz BYAAWJNACQEVOT-WCQYABFASA-N 2 2 236.359 2.392 20 0 BEADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000442741621 387831945 /nfs/dbraw/zinc/83/19/45/387831945.db2.gz BMDXZYHOVZJWAW-RKDXNWHRSA-N 2 2 240.351 2.161 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(C[NH3+])CC1 ZINC000423014039 387837048 /nfs/dbraw/zinc/83/70/48/387837048.db2.gz NXLYUOVSLDQSBQ-UHFFFAOYSA-N 3 2 247.386 2.040 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014811 387838517 /nfs/dbraw/zinc/83/85/17/387838517.db2.gz JLBVWIHDYIVADJ-ZOWXZIJZSA-N 2 2 247.386 2.435 20 0 BEADLP CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C(F)(F)F ZINC000423073918 387874329 /nfs/dbraw/zinc/87/43/29/387874329.db2.gz SQBTTYFSQHVQIM-BDAKNGLRSA-N 2 2 226.286 2.434 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccsc1 ZINC000643537169 387874644 /nfs/dbraw/zinc/87/46/44/387874644.db2.gz AAFISSPZCBAZJG-LSJOCFKGSA-N 2 2 228.336 2.099 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000564058621 387814395 /nfs/dbraw/zinc/81/43/95/387814395.db2.gz LGCAMLUSVYUPOM-XUXIUFHCSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000564058621 387814403 /nfs/dbraw/zinc/81/44/03/387814403.db2.gz LGCAMLUSVYUPOM-XUXIUFHCSA-N 2 2 224.392 2.352 20 0 BEADLP COc1ccc(C2CC[NH+](C[C@H](C)[NH3+])CC2)cc1 ZINC000442658464 387814895 /nfs/dbraw/zinc/81/48/95/387814895.db2.gz JCRBAEIYXDAXPO-LBPRGKRZSA-N 2 2 248.370 2.222 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000442663154 387817734 /nfs/dbraw/zinc/81/77/34/387817734.db2.gz IWIGSVWZPKMOCQ-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000442663154 387817739 /nfs/dbraw/zinc/81/77/39/387817739.db2.gz IWIGSVWZPKMOCQ-DZGCQCFKSA-N 2 2 248.370 2.015 20 0 BEADLP COc1ccccc1C[N@H+](C[C@@H](C)[NH3+])C1CC1 ZINC000442665023 387817754 /nfs/dbraw/zinc/81/77/54/387817754.db2.gz LHYDEMAXYOBKBC-LLVKDONJSA-N 2 2 234.343 2.007 20 0 BEADLP COc1ccccc1C[N@@H+](C[C@@H](C)[NH3+])C1CC1 ZINC000442665023 387817758 /nfs/dbraw/zinc/81/77/58/387817758.db2.gz LHYDEMAXYOBKBC-LLVKDONJSA-N 2 2 234.343 2.007 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423106848 387891246 /nfs/dbraw/zinc/89/12/46/387891246.db2.gz DMQMHNNKIOIYCR-GHMZBOCLSA-N 2 2 236.384 2.421 20 0 BEADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643538359 387876322 /nfs/dbraw/zinc/87/63/22/387876322.db2.gz HXJMONOHFLHFTQ-MELADBBJSA-N 2 2 242.382 2.491 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C(C)(C)C ZINC000643538815 387877598 /nfs/dbraw/zinc/87/75/98/387877598.db2.gz WTWRBYHPDYEMCT-SDDRHHMPSA-N 2 2 230.371 2.491 20 0 BEADLP CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCC1 ZINC000322486757 387877635 /nfs/dbraw/zinc/87/76/35/387877635.db2.gz WPPMPORJUZEKMX-AAEUAGOBSA-N 2 2 212.381 2.495 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000643538645 387878272 /nfs/dbraw/zinc/87/82/72/387878272.db2.gz QRTILDNWKSVBAW-AVGNSLFASA-N 2 2 240.366 2.389 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538631 387878788 /nfs/dbraw/zinc/87/87/88/387878788.db2.gz QGPHIIFRKARXIP-BNDIWNMDSA-N 2 2 228.355 2.101 20 0 BEADLP FCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538735 387878869 /nfs/dbraw/zinc/87/88/69/387878869.db2.gz UBLIUVMETJNXNM-VOAKCMCISA-N 2 2 246.345 2.194 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)[C@H](C)[NH3+] ZINC000643539859 387880665 /nfs/dbraw/zinc/88/06/65/387880665.db2.gz HAWQBWCTPTWSAV-HHURGBBESA-N 2 2 240.297 2.277 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)s1 ZINC000643539867 387882011 /nfs/dbraw/zinc/88/20/11/387882011.db2.gz IUQYOWSMXHHVAD-FXQIFTODSA-N 2 2 227.377 2.146 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000423095178 387884463 /nfs/dbraw/zinc/88/44/63/387884463.db2.gz DMQMHNNKIOIYCR-QWRGUYRKSA-N 2 2 236.384 2.421 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424176002 387884607 /nfs/dbraw/zinc/88/46/07/387884607.db2.gz RKKDVZTXOAXCLS-UNQGMJICSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424176002 387884609 /nfs/dbraw/zinc/88/46/09/387884609.db2.gz RKKDVZTXOAXCLS-UNQGMJICSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424176006 387884627 /nfs/dbraw/zinc/88/46/27/387884627.db2.gz RKKDVZTXOAXCLS-UQOMUDLDSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424176006 387884629 /nfs/dbraw/zinc/88/46/29/387884629.db2.gz RKKDVZTXOAXCLS-UQOMUDLDSA-N 2 2 236.403 2.352 20 0 BEADLP CC[C@@H]([NH2+]Cc1occc1C)[C@@H]1CCC[NH2+]1 ZINC000423122227 387903408 /nfs/dbraw/zinc/90/34/08/387903408.db2.gz BXRUJFBWZRRVMV-NEPJUHHUSA-N 2 2 222.332 2.208 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000044534426 387937390 /nfs/dbraw/zinc/93/73/90/387937390.db2.gz HHYRHSBHXNDFLI-NEPJUHHUSA-N 2 2 222.332 2.272 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000044534426 387937397 /nfs/dbraw/zinc/93/73/97/387937397.db2.gz HHYRHSBHXNDFLI-NEPJUHHUSA-N 2 2 222.332 2.272 20 0 BEADLP CC(C)OC1CC([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000438337900 387925901 /nfs/dbraw/zinc/92/59/01/387925901.db2.gz NZNWCOHQBBMOAL-UHFFFAOYSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000438825130 387956556 /nfs/dbraw/zinc/95/65/56/387956556.db2.gz HIYSYIZTBMXFIG-RYUDHWBXSA-N 2 2 249.358 2.118 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)no1 ZINC000438825130 387956560 /nfs/dbraw/zinc/95/65/60/387956560.db2.gz HIYSYIZTBMXFIG-RYUDHWBXSA-N 2 2 249.358 2.118 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1F ZINC000225191215 387941837 /nfs/dbraw/zinc/94/18/37/387941837.db2.gz ZQGLSHFWKIREOW-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1F ZINC000225191215 387941840 /nfs/dbraw/zinc/94/18/40/387941840.db2.gz ZQGLSHFWKIREOW-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685837 387942103 /nfs/dbraw/zinc/94/21/03/387942103.db2.gz PVZMCGVIMMPUNC-OLZOCXBDSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685837 387942106 /nfs/dbraw/zinc/94/21/06/387942106.db2.gz PVZMCGVIMMPUNC-OLZOCXBDSA-N 2 2 248.370 2.427 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000245597832 387963427 /nfs/dbraw/zinc/96/34/27/387963427.db2.gz HXBQSRJVVAFHKJ-QWHCGFSZSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000245597832 387963432 /nfs/dbraw/zinc/96/34/32/387963432.db2.gz HXBQSRJVVAFHKJ-QWHCGFSZSA-N 2 2 219.332 2.148 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1c[nH+]ccc1N ZINC000423183544 387968518 /nfs/dbraw/zinc/96/85/18/387968518.db2.gz MOIFLCUSZNIVOD-UFGOTCBOSA-N 2 2 237.322 2.425 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319108 387969306 /nfs/dbraw/zinc/96/93/06/387969306.db2.gz DRMCLQRKNVGESC-KAOXEZKKSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319108 387969308 /nfs/dbraw/zinc/96/93/08/387969308.db2.gz DRMCLQRKNVGESC-KAOXEZKKSA-N 2 2 234.387 2.247 20 0 BEADLP CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)[C@@H]1CCC[NH2+]1 ZINC000423170228 387957605 /nfs/dbraw/zinc/95/76/05/387957605.db2.gz LKVJLKDJDXHKLL-GJZGRUSLSA-N 2 2 247.386 2.319 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC[NH3+])cc(C)c1F ZINC000423195653 387980098 /nfs/dbraw/zinc/98/00/98/387980098.db2.gz XYSUSMVMQZGJBV-SNVBAGLBSA-N 2 2 210.296 2.052 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000250085502 135049637 /nfs/dbraw/zinc/04/96/37/135049637.db2.gz VNKPUXKAJDSMJM-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CCSc1ccccc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423191557 387976434 /nfs/dbraw/zinc/97/64/34/387976434.db2.gz UMBOGASYTJASCK-SNVBAGLBSA-N 2 2 224.373 2.408 20 0 BEADLP COc1ccc2oc([C@@H](C)[NH2+]CC[NH3+])c(C)c2c1 ZINC000423191089 387976503 /nfs/dbraw/zinc/97/65/03/387976503.db2.gz SNCITRNGDPTVDE-SNVBAGLBSA-N 2 2 248.326 2.359 20 0 BEADLP C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423202288 387987602 /nfs/dbraw/zinc/98/76/02/387987602.db2.gz QQBKLVOIMSOYDQ-SECBINFHSA-N 2 2 228.286 2.225 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000423204185 387989906 /nfs/dbraw/zinc/98/99/06/387989906.db2.gz NXISEMWCIMPLJN-HIFRSBDPSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccco1 ZINC000424373188 387995976 /nfs/dbraw/zinc/99/59/76/387995976.db2.gz JCBLCHTZHBNZCG-GMTAPVOTSA-N 2 2 208.305 2.200 20 0 BEADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423204852 387992011 /nfs/dbraw/zinc/99/20/11/387992011.db2.gz OUAASNZSRWGACH-KBPBESRZSA-N 2 2 234.318 2.228 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 ZINC000423204953 387992052 /nfs/dbraw/zinc/99/20/52/387992052.db2.gz BBTMWALHROUXEE-QWRGUYRKSA-N 2 2 210.346 2.151 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000423208418 387993450 /nfs/dbraw/zinc/99/34/50/387993450.db2.gz DYYHYDRGKFNHTL-NWDGAFQWSA-N 2 2 234.343 2.016 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217493 388000154 /nfs/dbraw/zinc/00/01/54/388000154.db2.gz PXKXNTHKFZFLFQ-VHSXEESVSA-N 2 2 219.332 2.192 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000423222355 388001178 /nfs/dbraw/zinc/00/11/78/388001178.db2.gz ARXZVEQFMHIQDS-CYBMUJFWSA-N 2 2 222.307 2.012 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423222100 388001243 /nfs/dbraw/zinc/00/12/43/388001243.db2.gz ZRVRZFMNICRMQJ-ABAIWWIYSA-N 2 2 245.370 2.407 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423222100 388001248 /nfs/dbraw/zinc/00/12/48/388001248.db2.gz ZRVRZFMNICRMQJ-ABAIWWIYSA-N 2 2 245.370 2.407 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000423223329 388003858 /nfs/dbraw/zinc/00/38/58/388003858.db2.gz GAHGEAXCPPIQEG-SECBINFHSA-N 2 2 241.404 2.445 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423227061 388010628 /nfs/dbraw/zinc/01/06/28/388010628.db2.gz UFWKZHHMXJKXMQ-ZDUSSCGKSA-N 2 2 218.344 2.218 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000423243427 388025469 /nfs/dbraw/zinc/02/54/69/388025469.db2.gz WLGWWXSREMHLQQ-UKRRQHHQSA-N 2 2 248.370 2.488 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000423226787 388011678 /nfs/dbraw/zinc/01/16/78/388011678.db2.gz SFRQJHGDRFRUKC-LBPRGKRZSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423227236 388011923 /nfs/dbraw/zinc/01/19/23/388011923.db2.gz VAGMNGBNXGUAAD-HZMBPMFUSA-N 2 2 236.334 2.258 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]C)c1ccc(OC)cc1 ZINC000423227368 388012160 /nfs/dbraw/zinc/01/21/60/388012160.db2.gz VKQQWLXINNWWKO-AWEZNQCLSA-N 2 2 236.359 2.345 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CC[NH2+]C)s1 ZINC000423228293 388013447 /nfs/dbraw/zinc/01/34/47/388013447.db2.gz ZAWZKUQAQBXYTO-SECBINFHSA-N 2 2 212.362 2.181 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423229073 388015932 /nfs/dbraw/zinc/01/59/32/388015932.db2.gz AFIZYQBIBXPUMG-NEPJUHHUSA-N 2 2 237.322 2.013 20 0 BEADLP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231420 388017426 /nfs/dbraw/zinc/01/74/26/388017426.db2.gz GRXRHNABLXEPEH-KBPBESRZSA-N 2 2 249.333 2.013 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000423234990 388018366 /nfs/dbraw/zinc/01/83/66/388018366.db2.gz AFHVSDDRJLMDEG-LBPRGKRZSA-N 2 2 236.359 2.264 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400543183 388020295 /nfs/dbraw/zinc/02/02/95/388020295.db2.gz VIAWNGYVWCSGDJ-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]C)c1ccsc1 ZINC000423237798 388020538 /nfs/dbraw/zinc/02/05/38/388020538.db2.gz DUWVIKKBZWKZTJ-NSHDSACASA-N 2 2 212.362 2.398 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccs1 ZINC000423250545 388033372 /nfs/dbraw/zinc/03/33/72/388033372.db2.gz UIDWITDBGYZLDW-SNVBAGLBSA-N 2 2 212.362 2.398 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423253416 388036166 /nfs/dbraw/zinc/03/61/66/388036166.db2.gz YYXBKVBUPUIIBJ-FZMZJTMJSA-N 2 2 218.344 2.119 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccncn1 ZINC000423259355 388038156 /nfs/dbraw/zinc/03/81/56/388038156.db2.gz DOAYIUYSPBMQJG-SMDDNHRTSA-N 2 2 248.374 2.035 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnccn1 ZINC000423259406 388038337 /nfs/dbraw/zinc/03/83/37/388038337.db2.gz DRJOSCQLSVOPLE-DGCLKSJQSA-N 2 2 248.374 2.035 20 0 BEADLP Cc1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000082666809 388038575 /nfs/dbraw/zinc/03/85/75/388038575.db2.gz OKWVWHYOZRCULD-LBPRGKRZSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000082666809 388038578 /nfs/dbraw/zinc/03/85/78/388038578.db2.gz OKWVWHYOZRCULD-LBPRGKRZSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423258782 388039144 /nfs/dbraw/zinc/03/91/44/388039144.db2.gz CJJJXEFSUWOTTP-OLZOCXBDSA-N 2 2 235.375 2.414 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccnc1 ZINC000423261091 388039723 /nfs/dbraw/zinc/03/97/23/388039723.db2.gz IZGKJAZNEDIHPM-AAEUAGOBSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C[C@@H]1C ZINC000082837069 388042092 /nfs/dbraw/zinc/04/20/92/388042092.db2.gz DTISNIQKTVJDHZ-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000423244873 388028549 /nfs/dbraw/zinc/02/85/49/388028549.db2.gz OFGPCIUMVXJZQQ-IUODEOHRSA-N 2 2 248.370 2.091 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423246952 388029680 /nfs/dbraw/zinc/02/96/80/388029680.db2.gz ODXPGMPWBCPBTB-HNNXBMFYSA-N 2 2 248.370 2.272 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423246253 388029780 /nfs/dbraw/zinc/02/97/80/388029780.db2.gz NDWJGADJLSWZKH-GWCFXTLKSA-N 2 2 204.317 2.044 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000423247035 388029888 /nfs/dbraw/zinc/02/98/88/388029888.db2.gz OQTAFTNTQRLXKJ-CQSZACIVSA-N 2 2 243.354 2.354 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000423247022 388030421 /nfs/dbraw/zinc/03/04/21/388030421.db2.gz OPCNPQOIQZDAKT-CQSZACIVSA-N 2 2 218.344 2.263 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1CCOC1 ZINC000423250048 388031236 /nfs/dbraw/zinc/03/12/36/388031236.db2.gz UJLDLAKRUMSHRC-ZNMIVQPWSA-N 2 2 248.370 2.091 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423272504 388050985 /nfs/dbraw/zinc/05/09/85/388050985.db2.gz YYSZZWVXGKNIIS-YPMHNXCESA-N 2 2 236.359 2.329 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423272785 388052995 /nfs/dbraw/zinc/05/29/95/388052995.db2.gz IOHYFPOVLZVZHA-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000423279249 388059797 /nfs/dbraw/zinc/05/97/97/388059797.db2.gz RXYRCTISQIHPEB-CMPLNLGQSA-N 2 2 224.348 2.476 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423278861 388059883 /nfs/dbraw/zinc/05/98/83/388059883.db2.gz REOBADHEEBWLIB-GWCFXTLKSA-N 2 2 222.332 2.026 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423282480 388065231 /nfs/dbraw/zinc/06/52/31/388065231.db2.gz VDHVQCBLRGAFCU-FZMZJTMJSA-N 2 2 248.370 2.473 20 0 BEADLP Clc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000070599617 388065225 /nfs/dbraw/zinc/06/52/25/388065225.db2.gz FNFLWMQALZATOQ-MRVPVSSYSA-N 2 2 230.764 2.243 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccco1 ZINC000423284010 388066593 /nfs/dbraw/zinc/06/65/93/388066593.db2.gz XXKBJDMRLOPGLS-QWRGUYRKSA-N 2 2 210.321 2.304 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453385415 388067843 /nfs/dbraw/zinc/06/78/43/388067843.db2.gz AWFAROBQKGWLPU-GMXVVIOVSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453385415 388067847 /nfs/dbraw/zinc/06/78/47/388067847.db2.gz AWFAROBQKGWLPU-GMXVVIOVSA-N 2 2 210.365 2.105 20 0 BEADLP COC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)C ZINC000453396514 388070216 /nfs/dbraw/zinc/07/02/16/388070216.db2.gz KUDZIHUMZULLGM-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)C ZINC000453396514 388070220 /nfs/dbraw/zinc/07/02/20/388070220.db2.gz KUDZIHUMZULLGM-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP CCn1ccnc1[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423289451 388074138 /nfs/dbraw/zinc/07/41/38/388074138.db2.gz AWIFDRHIWBUSJA-NSHDSACASA-N 2 2 238.379 2.071 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])o1 ZINC000423289315 388074324 /nfs/dbraw/zinc/07/43/24/388074324.db2.gz WTAVHLNCZODXQY-SECBINFHSA-N 2 2 210.321 2.230 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccco1 ZINC000423289923 388074357 /nfs/dbraw/zinc/07/43/57/388074357.db2.gz YMHFOFBJQZKCBN-SNVBAGLBSA-N 2 2 210.321 2.448 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000084340599 388076838 /nfs/dbraw/zinc/07/68/38/388076838.db2.gz XFHXHILTKJBOHS-UONOGXRCSA-N 2 2 224.392 2.498 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccncc1F ZINC000423294346 388076954 /nfs/dbraw/zinc/07/69/54/388076954.db2.gz UDNLJYDMCORXDB-SNVBAGLBSA-N 2 2 239.338 2.389 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000084487067 388078618 /nfs/dbraw/zinc/07/86/18/388078618.db2.gz CFBORUUZNMNLBF-CQSZACIVSA-N 2 2 218.344 2.091 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000084946419 388081217 /nfs/dbraw/zinc/08/12/17/388081217.db2.gz YRKBCTLTJINTSN-CABZTGNLSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000084946419 388081219 /nfs/dbraw/zinc/08/12/19/388081219.db2.gz YRKBCTLTJINTSN-CABZTGNLSA-N 2 2 240.297 2.134 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000453468435 388083884 /nfs/dbraw/zinc/08/38/84/388083884.db2.gz ZIAUVNSEKPRGJJ-XDQVBPFNSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000453468435 388083886 /nfs/dbraw/zinc/08/38/86/388083886.db2.gz ZIAUVNSEKPRGJJ-XDQVBPFNSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1ccco1 ZINC000085187699 388085499 /nfs/dbraw/zinc/08/54/99/388085499.db2.gz FUAPNILBGUZEMA-UHFFFAOYSA-N 2 2 219.288 2.347 20 0 BEADLP C[NH+](CCCC[N@@H+](C)CC(F)F)CC(F)F ZINC000118401520 388095787 /nfs/dbraw/zinc/09/57/87/388095787.db2.gz VOUUMMYCYYXTKS-UHFFFAOYSA-N 2 2 244.276 2.160 20 0 BEADLP C[NH+](CCCC[N@H+](C)CC(F)F)CC(F)F ZINC000118401520 388095790 /nfs/dbraw/zinc/09/57/90/388095790.db2.gz VOUUMMYCYYXTKS-UHFFFAOYSA-N 2 2 244.276 2.160 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2occc21 ZINC000423270666 388050108 /nfs/dbraw/zinc/05/01/08/388050108.db2.gz IIUGXNASPBGAMX-NWDGAFQWSA-N 2 2 222.332 2.230 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449221034 388159235 /nfs/dbraw/zinc/15/92/35/388159235.db2.gz RXKNVKRPJSVKKL-LBPRGKRZSA-N 2 2 224.348 2.142 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000449338377 388175795 /nfs/dbraw/zinc/17/57/95/388175795.db2.gz RTFHBDSQJANPHP-VXGBXAGGSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000449338377 388175798 /nfs/dbraw/zinc/17/57/98/388175798.db2.gz RTFHBDSQJANPHP-VXGBXAGGSA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000449351286 388179087 /nfs/dbraw/zinc/17/90/87/388179087.db2.gz OCVMXBAGNKHPII-GHMZBOCLSA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000449351286 388179088 /nfs/dbraw/zinc/17/90/88/388179088.db2.gz OCVMXBAGNKHPII-GHMZBOCLSA-N 2 2 234.334 2.352 20 0 BEADLP Cc1ccc(CCC[N@@H+](C(C)C)C2COC2)c[nH+]1 ZINC000449352257 388180078 /nfs/dbraw/zinc/18/00/78/388180078.db2.gz VBPAYHKNXSWUIR-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1ccc(CCC[N@H+](C(C)C)C2COC2)c[nH+]1 ZINC000449352257 388180079 /nfs/dbraw/zinc/18/00/79/388180079.db2.gz VBPAYHKNXSWUIR-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000449355259 388180708 /nfs/dbraw/zinc/18/07/08/388180708.db2.gz XIFFKZJFDSJSDQ-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000449355259 388180711 /nfs/dbraw/zinc/18/07/11/388180711.db2.gz XIFFKZJFDSJSDQ-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CSC[C@H]1C)[NH+]1CCCC1 ZINC000449078018 388136646 /nfs/dbraw/zinc/13/66/46/388136646.db2.gz TVCNPCDSNSZGSE-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449061512 388137434 /nfs/dbraw/zinc/13/74/34/388137434.db2.gz VTQHJOAKRCYMIK-TZMCWYRMSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449061512 388137437 /nfs/dbraw/zinc/13/74/37/388137437.db2.gz VTQHJOAKRCYMIK-TZMCWYRMSA-N 2 2 236.359 2.285 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646129300 388150304 /nfs/dbraw/zinc/15/03/04/388150304.db2.gz PBQJBGZILNCXOT-OLZOCXBDSA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000646129300 388150307 /nfs/dbraw/zinc/15/03/07/388150307.db2.gz PBQJBGZILNCXOT-OLZOCXBDSA-N 2 2 208.349 2.169 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449185568 388155193 /nfs/dbraw/zinc/15/51/93/388155193.db2.gz GNOPEBBFJPYRBS-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449185568 388155195 /nfs/dbraw/zinc/15/51/95/388155195.db2.gz GNOPEBBFJPYRBS-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385837 388190788 /nfs/dbraw/zinc/19/07/88/388190788.db2.gz GVOYCVPZTYERMM-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385837 388190791 /nfs/dbraw/zinc/19/07/91/388190791.db2.gz GVOYCVPZTYERMM-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389720 388192288 /nfs/dbraw/zinc/19/22/88/388192288.db2.gz TWISFTWZSMNQLG-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389720 388192289 /nfs/dbraw/zinc/19/22/89/388192289.db2.gz TWISFTWZSMNQLG-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395326 388193480 /nfs/dbraw/zinc/19/34/80/388193480.db2.gz IOMWEJIIMJELNF-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395326 388193483 /nfs/dbraw/zinc/19/34/83/388193483.db2.gz IOMWEJIIMJELNF-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394298 388193502 /nfs/dbraw/zinc/19/35/02/388193502.db2.gz NOTJEGDOJVPLMP-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394298 388193503 /nfs/dbraw/zinc/19/35/03/388193503.db2.gz NOTJEGDOJVPLMP-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449433309 388205509 /nfs/dbraw/zinc/20/55/09/388205509.db2.gz LRIYDFUIFLWPOL-REWJHTLYSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449433309 388205511 /nfs/dbraw/zinc/20/55/11/388205511.db2.gz LRIYDFUIFLWPOL-REWJHTLYSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487329 388217272 /nfs/dbraw/zinc/21/72/72/388217272.db2.gz XYGNNPNLUKCKNB-DGCLKSJQSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487329 388217274 /nfs/dbraw/zinc/21/72/74/388217274.db2.gz XYGNNPNLUKCKNB-DGCLKSJQSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449552229 388230824 /nfs/dbraw/zinc/23/08/24/388230824.db2.gz IQGPXFMBFUTMNX-NZBPQXDJSA-N 2 2 236.403 2.351 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449552229 388230827 /nfs/dbraw/zinc/23/08/27/388230827.db2.gz IQGPXFMBFUTMNX-NZBPQXDJSA-N 2 2 236.403 2.351 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCC1(CO)CC1 ZINC000449581143 388237803 /nfs/dbraw/zinc/23/78/03/388237803.db2.gz XNQXWCSXYMCHIZ-UHFFFAOYSA-N 2 2 248.370 2.075 20 0 BEADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459443927 388244756 /nfs/dbraw/zinc/24/47/56/388244756.db2.gz YTMQDFSZYXLFBU-AGIUHOORSA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459443927 388244757 /nfs/dbraw/zinc/24/47/57/388244757.db2.gz YTMQDFSZYXLFBU-AGIUHOORSA-N 2 2 235.375 2.329 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1OC ZINC000234044268 388352488 /nfs/dbraw/zinc/35/24/88/388352488.db2.gz KONAMPUBVYMIMD-JQWIXIFHSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000235462548 388369173 /nfs/dbraw/zinc/36/91/73/388369173.db2.gz UZOGNVREASGQQE-RKDXNWHRSA-N 2 2 244.285 2.286 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cn1)C[NH+](C)C ZINC000293616278 388390399 /nfs/dbraw/zinc/39/03/99/388390399.db2.gz JJUJGCBHDCXUJA-MNOVXSKESA-N 2 2 239.338 2.069 20 0 BEADLP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)[N@H+](C)C1CC1 ZINC000327827857 388391403 /nfs/dbraw/zinc/39/14/03/388391403.db2.gz AWIRMTQGRUVOMA-AAEUAGOBSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](C[NH2+]C[C@]1(C)CCCS1)[N@@H+](C)C1CC1 ZINC000327827857 388391405 /nfs/dbraw/zinc/39/14/05/388391405.db2.gz AWIRMTQGRUVOMA-AAEUAGOBSA-N 2 2 242.432 2.344 20 0 BEADLP FC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000525977245 388440071 /nfs/dbraw/zinc/44/00/71/388440071.db2.gz QVYRVMZUANLLFV-JTQLQIEISA-N 2 2 223.295 2.091 20 0 BEADLP FC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000525977245 388440073 /nfs/dbraw/zinc/44/00/73/388440073.db2.gz QVYRVMZUANLLFV-JTQLQIEISA-N 2 2 223.295 2.091 20 0 BEADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCCCO1 ZINC000308637990 388446012 /nfs/dbraw/zinc/44/60/12/388446012.db2.gz VIJDXORUQMSSDA-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000334671164 388446139 /nfs/dbraw/zinc/44/61/39/388446139.db2.gz OEYNZZNPVNXVBH-DOMZBBRYSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000334671164 388446141 /nfs/dbraw/zinc/44/61/41/388446141.db2.gz OEYNZZNPVNXVBH-DOMZBBRYSA-N 2 2 247.386 2.128 20 0 BEADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000322833731 388448482 /nfs/dbraw/zinc/44/84/82/388448482.db2.gz JPPOFFDTFBAJMA-ZDUSSCGKSA-N 2 2 221.348 2.442 20 0 BEADLP C[N@H+](Cc1cc(F)c(F)cc1F)C1CC([NH3+])C1 ZINC000335297651 388450316 /nfs/dbraw/zinc/45/03/16/388450316.db2.gz IJJAMZKNCLSKRF-UHFFFAOYSA-N 2 2 244.260 2.025 20 0 BEADLP C[N@@H+](Cc1cc(F)c(F)cc1F)C1CC([NH3+])C1 ZINC000335297651 388450318 /nfs/dbraw/zinc/45/03/18/388450318.db2.gz IJJAMZKNCLSKRF-UHFFFAOYSA-N 2 2 244.260 2.025 20 0 BEADLP CC[C@H]([NH2+]Cc1cccc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000515413403 256745213 /nfs/dbraw/zinc/74/52/13/256745213.db2.gz WKDPKELBNWYSBB-KBPBESRZSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000397561554 388479670 /nfs/dbraw/zinc/47/96/70/388479670.db2.gz AVVMUYKHQGXXDT-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000397561554 388479671 /nfs/dbraw/zinc/47/96/71/388479671.db2.gz AVVMUYKHQGXXDT-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP CO[C@H]1CCCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000517136017 388539137 /nfs/dbraw/zinc/53/91/37/388539137.db2.gz XRINXRAKOGQRAU-GJZGRUSLSA-N 2 2 248.370 2.480 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548635103 388550702 /nfs/dbraw/zinc/55/07/02/388550702.db2.gz YLTWDMSDTAZXGG-TZMCWYRMSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccoc1 ZINC000547979723 388500363 /nfs/dbraw/zinc/50/03/63/388500363.db2.gz VILGRJMCBXBGQI-ZYHUDNBSSA-N 2 2 231.299 2.142 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000397815402 388501733 /nfs/dbraw/zinc/50/17/33/388501733.db2.gz HWXNPBQYNIFKGU-LLVKDONJSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CC1(C)C ZINC000397853330 388506302 /nfs/dbraw/zinc/50/63/02/388506302.db2.gz SMYDREKUJYQFCF-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397864345 388507135 /nfs/dbraw/zinc/50/71/35/388507135.db2.gz PTXROHIXJGLGDV-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCCC1 ZINC000397874509 388508247 /nfs/dbraw/zinc/50/82/47/388508247.db2.gz VCNDIVOSXHPLLK-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1C[C@@H]1C ZINC000397898103 388510108 /nfs/dbraw/zinc/51/01/08/388510108.db2.gz SARZNRGKTVYLSH-TUAOUCFPSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CCCCCC2)CC1 ZINC000397968163 388513183 /nfs/dbraw/zinc/51/31/83/388513183.db2.gz LNRFWDVTJGOJMU-UHFFFAOYSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1ccc(C)c(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000397989142 388514413 /nfs/dbraw/zinc/51/44/13/388514413.db2.gz NKLOWPXPBDVBJK-UHFFFAOYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000245532385 388587907 /nfs/dbraw/zinc/58/79/07/388587907.db2.gz ICRHUBBZTAKLBR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000245532385 388587909 /nfs/dbraw/zinc/58/79/09/388587909.db2.gz ICRHUBBZTAKLBR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP COc1cc[nH+]cc1Cn1cc[nH+]c1C1CC1 ZINC000530129838 388613774 /nfs/dbraw/zinc/61/37/74/388613774.db2.gz LIXHSEPKMSSXNP-UHFFFAOYSA-N 2 2 229.283 2.212 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cccc(F)c2F)C1 ZINC000521272316 388567774 /nfs/dbraw/zinc/56/77/74/388567774.db2.gz XXFHBTTUXTZVSL-UHFFFAOYSA-N 2 2 240.297 2.147 20 0 BEADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ncccc1F ZINC000528823005 388576413 /nfs/dbraw/zinc/57/64/13/388576413.db2.gz KQOWUOHYQOQUQH-JTQLQIEISA-N 2 2 248.305 2.076 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000125587657 388673478 /nfs/dbraw/zinc/67/34/78/388673478.db2.gz GISBPGOTUDRTPD-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530176102 388619881 /nfs/dbraw/zinc/61/98/81/388619881.db2.gz BJABQMGRTWIPPS-CQSZACIVSA-N 2 2 230.355 2.369 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530215667 388628878 /nfs/dbraw/zinc/62/88/78/388628878.db2.gz HQYJUSIEZIJCGA-UONOGXRCSA-N 2 2 245.370 2.407 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530215666 388629446 /nfs/dbraw/zinc/62/94/46/388629446.db2.gz HQYJUSIEZIJCGA-KGLIPLIRSA-N 2 2 245.370 2.407 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ncccc1Cl ZINC000530214929 388629550 /nfs/dbraw/zinc/62/95/50/388629550.db2.gz ZAHNYNYBTIZLMT-LBPRGKRZSA-N 2 2 241.766 2.198 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246319232 388629760 /nfs/dbraw/zinc/62/97/60/388629760.db2.gz CYEFVTPLZATWEA-WCQYABFASA-N 2 2 219.332 2.185 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246319232 388629762 /nfs/dbraw/zinc/62/97/62/388629762.db2.gz CYEFVTPLZATWEA-WCQYABFASA-N 2 2 219.332 2.185 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530218284 388631708 /nfs/dbraw/zinc/63/17/08/388631708.db2.gz IONWKUBGSBLSHA-WCQYABFASA-N 2 2 231.343 2.017 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000530218820 388632136 /nfs/dbraw/zinc/63/21/36/388632136.db2.gz JUNPJQBBOKYGBZ-YPMHNXCESA-N 2 2 231.343 2.017 20 0 BEADLP c1cn(C2CC[NH+](CC[C@H]3CCCO3)CC2)c[nH+]1 ZINC000189521101 388636312 /nfs/dbraw/zinc/63/63/12/388636312.db2.gz AXQBVJNHCQRKSX-CQSZACIVSA-N 2 2 249.358 2.089 20 0 BEADLP Cc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)nc1 ZINC000126927848 388708990 /nfs/dbraw/zinc/70/89/90/388708990.db2.gz GDIISANWVUTOTG-UHFFFAOYSA-N 2 2 235.375 2.067 20 0 BEADLP COc1ccc[nH+]c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000127861145 388733308 /nfs/dbraw/zinc/73/33/08/388733308.db2.gz YJQOEKQESJALDX-GFCCVEGCSA-N 2 2 249.358 2.232 20 0 BEADLP COc1ccc[nH+]c1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000127861145 388733311 /nfs/dbraw/zinc/73/33/11/388733311.db2.gz YJQOEKQESJALDX-GFCCVEGCSA-N 2 2 249.358 2.232 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000193126800 388764430 /nfs/dbraw/zinc/76/44/30/388764430.db2.gz ZPCIUTGSVGNKDN-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000193126800 388764433 /nfs/dbraw/zinc/76/44/33/388764433.db2.gz ZPCIUTGSVGNKDN-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000229299377 388785941 /nfs/dbraw/zinc/78/59/41/388785941.db2.gz GABRGOVYFONDMY-GRYCIOLGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000229299377 388785944 /nfs/dbraw/zinc/78/59/44/388785944.db2.gz GABRGOVYFONDMY-GRYCIOLGSA-N 2 2 210.365 2.247 20 0 BEADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)CC1CCC1 ZINC000230321282 388823886 /nfs/dbraw/zinc/82/38/86/388823886.db2.gz SHODAPRJARLMQT-CYBMUJFWSA-N 2 2 212.381 2.482 20 0 BEADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)CC1CCC1 ZINC000230321282 388823889 /nfs/dbraw/zinc/82/38/89/388823889.db2.gz SHODAPRJARLMQT-CYBMUJFWSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1C1CC1 ZINC000554658030 388825255 /nfs/dbraw/zinc/82/52/55/388825255.db2.gz WYSQNCODKGTYHZ-BUONHZGMSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C[N@H+]1C1CC1 ZINC000554658030 388825256 /nfs/dbraw/zinc/82/52/56/388825256.db2.gz WYSQNCODKGTYHZ-BUONHZGMSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccn1 ZINC000129577415 388853373 /nfs/dbraw/zinc/85/33/73/388853373.db2.gz NWJLUZPOQNNUMA-AGIUHOORSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000129577415 388853376 /nfs/dbraw/zinc/85/33/76/388853376.db2.gz NWJLUZPOQNNUMA-AGIUHOORSA-N 2 2 233.359 2.215 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000556045335 388865363 /nfs/dbraw/zinc/86/53/63/388865363.db2.gz VWROGHFBCCEWGY-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000556045335 388865365 /nfs/dbraw/zinc/86/53/65/388865365.db2.gz VWROGHFBCCEWGY-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP COc1cc(C)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000565217927 388927497 /nfs/dbraw/zinc/92/74/97/388927497.db2.gz NJPCLKJXQKMKJX-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C)(C)COC(C)C)n1C ZINC000565241591 388931222 /nfs/dbraw/zinc/93/12/22/388931222.db2.gz FZPHYKODZKMOLP-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP Cc1cc(C)[nH+]c(NCc2c[nH+]cn2C)c1 ZINC000269512841 389009031 /nfs/dbraw/zinc/00/90/31/389009031.db2.gz SVRQURKBTKAXRS-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000250967509 132232462 /nfs/dbraw/zinc/23/24/62/132232462.db2.gz RCXGXGMLJQBRKR-VXGBXAGGSA-N 2 2 248.374 2.095 20 0 BEADLP CC1(C)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000045117160 132354823 /nfs/dbraw/zinc/35/48/23/132354823.db2.gz IBICQVVASYLJMU-ZDUSSCGKSA-N 2 2 245.370 2.439 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000335997006 134042476 /nfs/dbraw/zinc/04/24/76/134042476.db2.gz AKEGCFXOLUIKLI-LBPRGKRZSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000335997006 134042477 /nfs/dbraw/zinc/04/24/77/134042477.db2.gz AKEGCFXOLUIKLI-LBPRGKRZSA-N 2 2 233.359 2.400 20 0 BEADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000336023822 134054284 /nfs/dbraw/zinc/05/42/84/134054284.db2.gz XIMBPMFUMXRASB-CHWSQXEVSA-N 2 2 233.359 2.394 20 0 BEADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000336023822 134054285 /nfs/dbraw/zinc/05/42/85/134054285.db2.gz XIMBPMFUMXRASB-CHWSQXEVSA-N 2 2 233.359 2.394 20 0 BEADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000336023823 134054630 /nfs/dbraw/zinc/05/46/30/134054630.db2.gz XIMBPMFUMXRASB-OLZOCXBDSA-N 2 2 233.359 2.394 20 0 BEADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000336023823 134054631 /nfs/dbraw/zinc/05/46/31/134054631.db2.gz XIMBPMFUMXRASB-OLZOCXBDSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000168613245 134232194 /nfs/dbraw/zinc/23/21/94/134232194.db2.gz DGSWCETUTKZKLX-IUODEOHRSA-N 2 2 232.371 2.084 20 0 BEADLP Cc1csc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000168758773 134247879 /nfs/dbraw/zinc/24/78/79/134247879.db2.gz RSWHLDDYOOJHQD-GHMZBOCLSA-N 2 2 239.388 2.244 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500288 134248958 /nfs/dbraw/zinc/24/89/58/134248958.db2.gz QXVRYYIYZWXXMF-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500288 134248959 /nfs/dbraw/zinc/24/89/59/134248959.db2.gz QXVRYYIYZWXXMF-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000217677458 134249494 /nfs/dbraw/zinc/24/94/94/134249494.db2.gz SQYDKVRHQXZCJM-QEJZJMRPSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000217677458 134249495 /nfs/dbraw/zinc/24/94/95/134249495.db2.gz SQYDKVRHQXZCJM-QEJZJMRPSA-N 2 2 245.370 2.359 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1sccc1C ZINC000169237318 134249857 /nfs/dbraw/zinc/24/98/57/134249857.db2.gz ACBJGRPWAQODOG-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221412798 134324556 /nfs/dbraw/zinc/32/45/56/134324556.db2.gz LAEKOVMASPMWJW-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221412798 134324557 /nfs/dbraw/zinc/32/45/57/134324557.db2.gz LAEKOVMASPMWJW-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[NH+](C)C ZINC000222010559 134328853 /nfs/dbraw/zinc/32/88/53/134328853.db2.gz TZLSQXWXOVWFIB-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222060142 134329370 /nfs/dbraw/zinc/32/93/70/134329370.db2.gz QZXLSVKTMVDQCF-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222060142 134329371 /nfs/dbraw/zinc/32/93/71/134329371.db2.gz QZXLSVKTMVDQCF-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000222024619 134329488 /nfs/dbraw/zinc/32/94/88/134329488.db2.gz UFBADWHWHMCKFV-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227539759 134382931 /nfs/dbraw/zinc/38/29/31/134382931.db2.gz KZVOSBBGCYLGHT-DFBGVHRSSA-N 3 2 247.386 2.061 20 0 BEADLP CC(C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000236710564 134462941 /nfs/dbraw/zinc/46/29/41/134462941.db2.gz YRISBRSGYQEUEB-CQSZACIVSA-N 2 2 220.360 2.157 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000070761918 135011739 /nfs/dbraw/zinc/01/17/39/135011739.db2.gz OTAJKCQTHMVCBM-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000070761872 135011744 /nfs/dbraw/zinc/01/17/44/135011744.db2.gz UFUFZVISLQRVLU-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000070761872 135011746 /nfs/dbraw/zinc/01/17/46/135011746.db2.gz UFUFZVISLQRVLU-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)n1 ZINC000070733699 135012271 /nfs/dbraw/zinc/01/22/71/135012271.db2.gz AVBHOORWCBWDNZ-QWRGUYRKSA-N 2 2 241.404 2.476 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000250085502 135049635 /nfs/dbraw/zinc/04/96/35/135049635.db2.gz VNKPUXKAJDSMJM-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251789703 135078284 /nfs/dbraw/zinc/07/82/84/135078284.db2.gz FVRUJZQSCLLBSR-QNWHQSFQSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000252153667 135085673 /nfs/dbraw/zinc/08/56/73/135085673.db2.gz MYEPDGOJYMUEGK-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000252153667 135085674 /nfs/dbraw/zinc/08/56/74/135085674.db2.gz MYEPDGOJYMUEGK-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[N@H+](Cc1ccncc1Cl)CC(C)(C)C[NH3+] ZINC000086638370 135092251 /nfs/dbraw/zinc/09/22/51/135092251.db2.gz NUPWLAQPFILNNC-UHFFFAOYSA-N 2 2 241.766 2.152 20 0 BEADLP C[N@@H+](Cc1ccncc1Cl)CC(C)(C)C[NH3+] ZINC000086638370 135092253 /nfs/dbraw/zinc/09/22/53/135092253.db2.gz NUPWLAQPFILNNC-UHFFFAOYSA-N 2 2 241.766 2.152 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086725079 135095301 /nfs/dbraw/zinc/09/53/01/135095301.db2.gz FQEXFUBJQIJQKT-JOYOIKCWSA-N 2 2 224.735 2.353 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000086856941 135098352 /nfs/dbraw/zinc/09/83/52/135098352.db2.gz HFHCPCRXYBUGJB-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000086856097 135098394 /nfs/dbraw/zinc/09/83/94/135098394.db2.gz BVRXDFXEQACMHA-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000252708801 135098818 /nfs/dbraw/zinc/09/88/18/135098818.db2.gz BCSREFGHBGWBMD-NTZNESFSSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000252708801 135098821 /nfs/dbraw/zinc/09/88/21/135098821.db2.gz BCSREFGHBGWBMD-NTZNESFSSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCOCC1 ZINC000086873261 135099258 /nfs/dbraw/zinc/09/92/58/135099258.db2.gz NJMYEZHIVSQXMW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCOCC1 ZINC000086873254 135099415 /nfs/dbraw/zinc/09/94/15/135099415.db2.gz NJMYEZHIVSQXMW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000261550919 135109155 /nfs/dbraw/zinc/10/91/55/135109155.db2.gz PYJFQLSPBFEPCO-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000261550919 135109156 /nfs/dbraw/zinc/10/91/56/135109156.db2.gz PYJFQLSPBFEPCO-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000252809279 135112079 /nfs/dbraw/zinc/11/20/79/135112079.db2.gz LHHNIGNUTDOLGM-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000252809279 135112080 /nfs/dbraw/zinc/11/20/80/135112080.db2.gz LHHNIGNUTDOLGM-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000252893958 135116825 /nfs/dbraw/zinc/11/68/25/135116825.db2.gz SGEXVEWJKONMJG-BXUZGUMPSA-N 2 2 236.334 2.256 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000252893958 135116826 /nfs/dbraw/zinc/11/68/26/135116826.db2.gz SGEXVEWJKONMJG-BXUZGUMPSA-N 2 2 236.334 2.256 20 0 BEADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000259037493 135136892 /nfs/dbraw/zinc/13/68/92/135136892.db2.gz PCFOJNJPBRZDKM-CQSZACIVSA-N 2 2 232.371 2.436 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000259272637 135142613 /nfs/dbraw/zinc/14/26/13/135142613.db2.gz ZSYHVZOEQWYWRX-CHWSQXEVSA-N 2 2 240.297 2.324 20 0 BEADLP CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261545690 135150410 /nfs/dbraw/zinc/15/04/10/135150410.db2.gz GIXATRQKEHCIDR-WCQYABFASA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261545690 135150411 /nfs/dbraw/zinc/15/04/11/135150411.db2.gz GIXATRQKEHCIDR-WCQYABFASA-N 2 2 234.343 2.007 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261533577 135164849 /nfs/dbraw/zinc/16/48/49/135164849.db2.gz KZERUORFKKMIPZ-QMMMGPOBSA-N 2 2 230.764 2.182 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261533577 135164850 /nfs/dbraw/zinc/16/48/50/135164850.db2.gz KZERUORFKKMIPZ-QMMMGPOBSA-N 2 2 230.764 2.182 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533946 135165701 /nfs/dbraw/zinc/16/57/01/135165701.db2.gz LYUXSFWYLHNOPS-GBIKHYSHSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533946 135165703 /nfs/dbraw/zinc/16/57/03/135165703.db2.gz LYUXSFWYLHNOPS-GBIKHYSHSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533947 135166097 /nfs/dbraw/zinc/16/60/97/135166097.db2.gz LYUXSFWYLHNOPS-GIPNMCIBSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533947 135166098 /nfs/dbraw/zinc/16/60/98/135166098.db2.gz LYUXSFWYLHNOPS-GIPNMCIBSA-N 2 2 222.307 2.166 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534149 135166690 /nfs/dbraw/zinc/16/66/90/135166690.db2.gz NPNKKRKEXRDNGM-BXUZGUMPSA-N 2 2 218.344 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534149 135166691 /nfs/dbraw/zinc/16/66/91/135166691.db2.gz NPNKKRKEXRDNGM-BXUZGUMPSA-N 2 2 218.344 2.028 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534340 135166838 /nfs/dbraw/zinc/16/68/38/135166838.db2.gz PZAHVCYKCZFBQZ-ZWNOBZJWSA-N 2 2 236.384 2.188 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534340 135166839 /nfs/dbraw/zinc/16/68/39/135166839.db2.gz PZAHVCYKCZFBQZ-ZWNOBZJWSA-N 2 2 236.384 2.188 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261534884 135169133 /nfs/dbraw/zinc/16/91/33/135169133.db2.gz NHOWADMDZLLMJR-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261534884 135169135 /nfs/dbraw/zinc/16/91/35/135169135.db2.gz NHOWADMDZLLMJR-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1[NH3+] ZINC000261542863 135183017 /nfs/dbraw/zinc/18/30/17/135183017.db2.gz QVMMAPPICFRVKB-JOYOIKCWSA-N 2 2 240.297 2.403 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1[NH3+] ZINC000261542863 135183018 /nfs/dbraw/zinc/18/30/18/135183018.db2.gz QVMMAPPICFRVKB-JOYOIKCWSA-N 2 2 240.297 2.403 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261543398 135183919 /nfs/dbraw/zinc/18/39/19/135183919.db2.gz HRDZRWWNKKEEKY-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261543398 135183920 /nfs/dbraw/zinc/18/39/20/135183920.db2.gz HRDZRWWNKKEEKY-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544052 135185221 /nfs/dbraw/zinc/18/52/21/135185221.db2.gz DNVRPUTVNLAKCK-NHYWBVRUSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544052 135185222 /nfs/dbraw/zinc/18/52/22/135185222.db2.gz DNVRPUTVNLAKCK-NHYWBVRUSA-N 2 2 230.355 2.486 20 0 BEADLP CCCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000261550750 135188984 /nfs/dbraw/zinc/18/89/84/135188984.db2.gz PTQOCEAYPABKKB-DOMZBBRYSA-N 2 2 248.370 2.254 20 0 BEADLP CCCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000261550750 135188985 /nfs/dbraw/zinc/18/89/85/135188985.db2.gz PTQOCEAYPABKKB-DOMZBBRYSA-N 2 2 248.370 2.254 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261556962 135196996 /nfs/dbraw/zinc/19/69/96/135196996.db2.gz CITSVWKBOLENLG-SWLSCSKDSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261556962 135196998 /nfs/dbraw/zinc/19/69/98/135196998.db2.gz CITSVWKBOLENLG-SWLSCSKDSA-N 2 2 248.370 2.395 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261558405 135199270 /nfs/dbraw/zinc/19/92/70/135199270.db2.gz SHXRZSDQJYXLIH-FZMZJTMJSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261558405 135199272 /nfs/dbraw/zinc/19/92/72/135199272.db2.gz SHXRZSDQJYXLIH-FZMZJTMJSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000261558867 135199316 /nfs/dbraw/zinc/19/93/16/135199316.db2.gz SUIRFAXHGTYVFR-XHDPSFHLSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000261558867 135199317 /nfs/dbraw/zinc/19/93/17/135199317.db2.gz SUIRFAXHGTYVFR-XHDPSFHLSA-N 2 2 230.355 2.486 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261561343 135203049 /nfs/dbraw/zinc/20/30/49/135203049.db2.gz FWUHTFLRSKVFKK-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261561343 135203050 /nfs/dbraw/zinc/20/30/50/135203050.db2.gz FWUHTFLRSKVFKK-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261563398 135205340 /nfs/dbraw/zinc/20/53/40/135205340.db2.gz XBCRYJORSRBKLU-JSGCOSHPSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261563398 135205342 /nfs/dbraw/zinc/20/53/42/135205342.db2.gz XBCRYJORSRBKLU-JSGCOSHPSA-N 2 2 234.318 2.010 20 0 BEADLP Cc1cccc(NCC2([NH3+])CCCCC2)[nH+]1 ZINC000261569094 135211220 /nfs/dbraw/zinc/21/12/20/135211220.db2.gz GCNYQNYMBRUVCT-UHFFFAOYSA-N 2 2 219.332 2.464 20 0 BEADLP CC1(C)CCC(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000261580094 135220842 /nfs/dbraw/zinc/22/08/42/135220842.db2.gz MQYQCHJDQYLOCA-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C)CCC(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC000261580094 135220844 /nfs/dbraw/zinc/22/08/44/135220844.db2.gz MQYQCHJDQYLOCA-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP CCOc1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000261589911 135229801 /nfs/dbraw/zinc/22/98/01/135229801.db2.gz WQMXONQURKWEPA-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000261596111 135236378 /nfs/dbraw/zinc/23/63/78/135236378.db2.gz YMWSNFLTHREYGQ-MNOVXSKESA-N 2 2 228.405 2.084 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000261596111 135236380 /nfs/dbraw/zinc/23/63/80/135236380.db2.gz YMWSNFLTHREYGQ-MNOVXSKESA-N 2 2 228.405 2.084 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000261599008 135237951 /nfs/dbraw/zinc/23/79/51/135237951.db2.gz ZRHUQPKUJOHSJJ-HLTSFMKQSA-N 2 2 228.286 2.351 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000261546431 135238741 /nfs/dbraw/zinc/23/87/41/135238741.db2.gz XCGIZEUZOWAMTB-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000261546431 135238742 /nfs/dbraw/zinc/23/87/42/135238742.db2.gz XCGIZEUZOWAMTB-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP Cc1ccc2cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc2n1 ZINC000261805605 135254581 /nfs/dbraw/zinc/25/45/81/135254581.db2.gz HHKOJJJUKANYBR-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2cc(C[N@H+](C)[C@H](C)C[NH3+])ccc2n1 ZINC000261805605 135254582 /nfs/dbraw/zinc/25/45/82/135254582.db2.gz HHKOJJJUKANYBR-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261985280 135269935 /nfs/dbraw/zinc/26/99/35/135269935.db2.gz JQRNDNFOJXRADY-OIUHTZQUSA-N 2 2 234.318 2.118 20 0 BEADLP C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000261985280 135269936 /nfs/dbraw/zinc/26/99/36/135269936.db2.gz JQRNDNFOJXRADY-OIUHTZQUSA-N 2 2 234.318 2.118 20 0 BEADLP C[C@@H]1COc2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000262018909 135272961 /nfs/dbraw/zinc/27/29/61/135272961.db2.gz VYTCCCFWWLADMV-LLVKDONJSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@@H]1COc2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000262018909 135272962 /nfs/dbraw/zinc/27/29/62/135272962.db2.gz VYTCCCFWWLADMV-LLVKDONJSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000262065078 135276610 /nfs/dbraw/zinc/27/66/10/135276610.db2.gz JMDGYBIHCSYRHO-WPRPVWTQSA-N 2 2 242.725 2.492 20 0 BEADLP Cc1ccc(C)c(OC2CC[NH+](CC[NH3+])CC2)c1 ZINC000262958664 135324855 /nfs/dbraw/zinc/32/48/55/135324855.db2.gz KLFDITVGZNIENC-UHFFFAOYSA-N 2 2 248.370 2.105 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)[nH]1 ZINC000334223897 135328715 /nfs/dbraw/zinc/32/87/15/135328715.db2.gz AESXHLSOSMVKKD-OLZOCXBDSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)[nH]1 ZINC000334223897 135328716 /nfs/dbraw/zinc/32/87/16/135328716.db2.gz AESXHLSOSMVKKD-OLZOCXBDSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)[nH]1 ZINC000334223901 135329303 /nfs/dbraw/zinc/32/93/03/135329303.db2.gz AESXHLSOSMVKKD-QWHCGFSZSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)[nH]1 ZINC000334223901 135329304 /nfs/dbraw/zinc/32/93/04/135329304.db2.gz AESXHLSOSMVKKD-QWHCGFSZSA-N 2 2 249.358 2.016 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC000299917610 135381883 /nfs/dbraw/zinc/38/18/83/135381883.db2.gz IZLCVMLXJMIAIK-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c(C)c1 ZINC000299917610 135381885 /nfs/dbraw/zinc/38/18/85/135381885.db2.gz IZLCVMLXJMIAIK-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1sccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000334416908 135398380 /nfs/dbraw/zinc/39/83/80/135398380.db2.gz QNGYBQSGVVNDRI-QWHCGFSZSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1sccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000334416908 135398381 /nfs/dbraw/zinc/39/83/81/135398381.db2.gz QNGYBQSGVVNDRI-QWHCGFSZSA-N 2 2 236.384 2.240 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086725155 135494740 /nfs/dbraw/zinc/49/47/40/135494740.db2.gz GNJJLOWUXNZQIM-BXKDBHETSA-N 2 2 224.735 2.353 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cncs1 ZINC000335283675 136001698 /nfs/dbraw/zinc/00/16/98/136001698.db2.gz GMAKRIGHICOIAO-ZJUUUORDSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@H]1CCCC[C@@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000347751039 136011270 /nfs/dbraw/zinc/01/12/70/136011270.db2.gz AWYNESLOSCUZMJ-JSGCOSHPSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000347751039 136011271 /nfs/dbraw/zinc/01/12/71/136011271.db2.gz AWYNESLOSCUZMJ-JSGCOSHPSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1ccncc1CCC[NH2+]CC[NH+]1CCCC1 ZINC000348110288 136037157 /nfs/dbraw/zinc/03/71/57/136037157.db2.gz FUPZVSIRNSHTEI-UHFFFAOYSA-N 2 2 247.386 2.008 20 0 BEADLP CC[C@@](C)(CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348130928 136038351 /nfs/dbraw/zinc/03/83/51/136038351.db2.gz OFYPNMKLELETCM-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP C/C=C\C[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348175434 136042944 /nfs/dbraw/zinc/04/29/44/136042944.db2.gz RHEBJUOZZCJASU-JZIMQPMSSA-N 2 2 248.370 2.239 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000348188540 136048980 /nfs/dbraw/zinc/04/89/80/136048980.db2.gz SMESJMCEBVCYQH-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000348188540 136048981 /nfs/dbraw/zinc/04/89/81/136048981.db2.gz SMESJMCEBVCYQH-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1 ZINC000335355478 136070751 /nfs/dbraw/zinc/07/07/51/136070751.db2.gz IQHNTFJOFSNMBU-ZYHUDNBSSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1 ZINC000335355478 136070752 /nfs/dbraw/zinc/07/07/52/136070752.db2.gz IQHNTFJOFSNMBU-ZYHUDNBSSA-N 2 2 242.326 2.013 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000348378646 136073945 /nfs/dbraw/zinc/07/39/45/136073945.db2.gz KAVURGSHGVYCKG-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000348378646 136073946 /nfs/dbraw/zinc/07/39/46/136073946.db2.gz KAVURGSHGVYCKG-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348410337 136077666 /nfs/dbraw/zinc/07/76/66/136077666.db2.gz OKQUCQLOMWUQFQ-AAEUAGOBSA-N 2 2 240.366 2.341 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348410337 136077667 /nfs/dbraw/zinc/07/76/67/136077667.db2.gz OKQUCQLOMWUQFQ-AAEUAGOBSA-N 2 2 240.366 2.341 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1C1CC1 ZINC000335375196 136085093 /nfs/dbraw/zinc/08/50/93/136085093.db2.gz XISHNVZQZXJEAY-KIENENRBSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1C1CC1 ZINC000335375196 136085094 /nfs/dbraw/zinc/08/50/94/136085094.db2.gz XISHNVZQZXJEAY-KIENENRBSA-N 2 2 226.339 2.092 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])nc1C ZINC000335594700 136104117 /nfs/dbraw/zinc/10/41/17/136104117.db2.gz LHBYBKOGZWWKKI-CABCVRRESA-N 2 2 247.386 2.448 20 0 BEADLP c1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cs1 ZINC000335560705 136105957 /nfs/dbraw/zinc/10/59/57/136105957.db2.gz MPZWZKOBBHUSCL-UHFFFAOYSA-N 2 2 222.357 2.076 20 0 BEADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[NH3+])CCS2 ZINC000335567467 136108396 /nfs/dbraw/zinc/10/83/96/136108396.db2.gz XYGLHAVZPKUJMK-LBPRGKRZSA-N 2 2 236.384 2.389 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000308914007 397842865 /nfs/dbraw/zinc/84/28/65/397842865.db2.gz AWFAROBQKGWLPU-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000308914007 397842868 /nfs/dbraw/zinc/84/28/68/397842868.db2.gz AWFAROBQKGWLPU-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000649559988 397951447 /nfs/dbraw/zinc/95/14/47/397951447.db2.gz ZECAKQIPKIRTQY-CQSZACIVSA-N 2 2 248.345 2.499 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000649559988 397951450 /nfs/dbraw/zinc/95/14/50/397951450.db2.gz ZECAKQIPKIRTQY-CQSZACIVSA-N 2 2 248.345 2.499 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000449232622 397952202 /nfs/dbraw/zinc/95/22/02/397952202.db2.gz IOCGOPPBTZBTDR-MBNYWOFBSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000449232622 397952205 /nfs/dbraw/zinc/95/22/05/397952205.db2.gz IOCGOPPBTZBTDR-MBNYWOFBSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCC[C@H](C)C1)[NH+](C)C ZINC000449556072 397955948 /nfs/dbraw/zinc/95/59/48/397955948.db2.gz KMCMMQRIRCLUGB-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1ccc(F)cc1F ZINC000019958125 397962719 /nfs/dbraw/zinc/96/27/19/397962719.db2.gz WXVHOLJCVWHBEP-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP CCCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000382982880 397912485 /nfs/dbraw/zinc/91/24/85/397912485.db2.gz XVHYBXAKOCCAMD-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000382982880 397912489 /nfs/dbraw/zinc/91/24/89/397912489.db2.gz XVHYBXAKOCCAMD-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537871 397918708 /nfs/dbraw/zinc/91/87/08/397918708.db2.gz SPCWVAVUJBFSJL-AVGNSLFASA-N 2 2 236.334 2.346 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000643537712 397918765 /nfs/dbraw/zinc/91/87/65/397918765.db2.gz OSSGDQDPUKAPFS-KKUMJFAQSA-N 2 2 248.345 2.427 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000382204930 397921797 /nfs/dbraw/zinc/92/17/97/397921797.db2.gz JZITVAAEBWDOHB-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC000382204930 397921800 /nfs/dbraw/zinc/92/18/00/397921800.db2.gz JZITVAAEBWDOHB-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272625690 397980344 /nfs/dbraw/zinc/98/03/44/397980344.db2.gz MNNJFUBWGPABCX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272625690 397980346 /nfs/dbraw/zinc/98/03/46/397980346.db2.gz MNNJFUBWGPABCX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272625690 397980348 /nfs/dbraw/zinc/98/03/48/397980348.db2.gz MNNJFUBWGPABCX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272625690 397980350 /nfs/dbraw/zinc/98/03/50/397980350.db2.gz MNNJFUBWGPABCX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCSCC1 ZINC000336735269 398063281 /nfs/dbraw/zinc/06/32/81/398063281.db2.gz HYOOZTUKNAQNJM-NSHDSACASA-N 2 2 244.448 2.448 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)[C@H](C)CO1 ZINC000649735591 398076813 /nfs/dbraw/zinc/07/68/13/398076813.db2.gz NIXCWSYIPYWEEO-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)[C@H](C)CO1 ZINC000649735591 398076817 /nfs/dbraw/zinc/07/68/17/398076817.db2.gz NIXCWSYIPYWEEO-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CCc1ccc(C[NH2+]C2CC[NH+](CC)CC2)o1 ZINC000051724647 398058579 /nfs/dbraw/zinc/05/85/79/398058579.db2.gz YRPVXRPMQLVXGO-UHFFFAOYSA-N 2 2 236.359 2.416 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246226617 398121248 /nfs/dbraw/zinc/12/12/48/398121248.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000246226617 398121251 /nfs/dbraw/zinc/12/12/51/398121251.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000246226617 398121252 /nfs/dbraw/zinc/12/12/52/398121252.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000246226617 398121254 /nfs/dbraw/zinc/12/12/54/398121254.db2.gz MAQTVCMDHXFMCT-XQQFMLRXSA-N 2 2 210.365 2.201 20 0 BEADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000062016766 398110601 /nfs/dbraw/zinc/11/06/01/398110601.db2.gz DSXACKMKJZDHLI-LLVKDONJSA-N 2 2 224.323 2.428 20 0 BEADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000062016766 398110604 /nfs/dbraw/zinc/11/06/04/398110604.db2.gz DSXACKMKJZDHLI-LLVKDONJSA-N 2 2 224.323 2.428 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000062771992 1172781363 /nfs/dbraw/zinc/78/13/63/1172781363.db2.gz ZBYIPZHVLRVDCC-CHWSQXEVSA-N 2 2 236.359 2.285 20 0 BEADLP Clc1c[nH+]ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086833138 487561301 /nfs/dbraw/zinc/56/13/01/487561301.db2.gz KLYSLPQPKKFGDJ-SECBINFHSA-N 2 2 237.734 2.384 20 0 BEADLP Clc1c[nH+]ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086833138 487561305 /nfs/dbraw/zinc/56/13/05/487561305.db2.gz KLYSLPQPKKFGDJ-SECBINFHSA-N 2 2 237.734 2.384 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000334849468 487573323 /nfs/dbraw/zinc/57/33/23/487573323.db2.gz VVBLHNDZJIADDZ-JGVFFNPUSA-N 2 2 245.779 2.156 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000334849471 487574072 /nfs/dbraw/zinc/57/40/72/487574072.db2.gz VVBLHNDZJIADDZ-SFYZADRCSA-N 2 2 245.779 2.156 20 0 BEADLP Fc1c[nH+]ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095523221 487587273 /nfs/dbraw/zinc/58/72/73/487587273.db2.gz KNRCAFOPYCDVEU-SNVBAGLBSA-N 2 2 246.289 2.328 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000086935489 487593391 /nfs/dbraw/zinc/59/33/91/487593391.db2.gz FPSZQZUMZIMBFD-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC(C)CC2)CS1 ZINC000086935493 487593500 /nfs/dbraw/zinc/59/35/00/487593500.db2.gz WIDPASXWLABFLJ-OLZOCXBDSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1(C)CC1 ZINC000556609341 322917344 /nfs/dbraw/zinc/91/73/44/322917344.db2.gz PFBAVOMLJBPVBG-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000087015149 487598083 /nfs/dbraw/zinc/59/80/83/487598083.db2.gz HZSCADOMVIGJPL-ZDUSSCGKSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000087015149 487598088 /nfs/dbraw/zinc/59/80/88/487598088.db2.gz HZSCADOMVIGJPL-ZDUSSCGKSA-N 2 2 216.328 2.097 20 0 BEADLP C[C@@]1(F)C[NH2+]CC[N@H+](CCCC2CCC2)C1 ZINC000662274921 409586035 /nfs/dbraw/zinc/58/60/35/409586035.db2.gz YQVSVECXNWBPOG-CYBMUJFWSA-N 2 2 228.355 2.200 20 0 BEADLP CCCCC[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283625 409614850 /nfs/dbraw/zinc/61/48/50/409614850.db2.gz BWGGJWIHPOEIKU-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CCCCC[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283625 409614856 /nfs/dbraw/zinc/61/48/56/409614856.db2.gz BWGGJWIHPOEIKU-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2cscn2)[C@H]1CC[NH3+] ZINC000404370224 409681490 /nfs/dbraw/zinc/68/14/90/409681490.db2.gz IQBIRJULGGQYLJ-JQWIXIFHSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2cscn2)[C@H]1CC[NH3+] ZINC000404370224 409681497 /nfs/dbraw/zinc/68/14/97/409681497.db2.gz IQBIRJULGGQYLJ-JQWIXIFHSA-N 2 2 239.388 2.092 20 0 BEADLP CCc1ccc(C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000057521215 410178842 /nfs/dbraw/zinc/17/88/42/410178842.db2.gz IPGCPUZAFWSTAP-UHFFFAOYSA-N 2 2 232.371 2.387 20 0 BEADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000663503584 410277919 /nfs/dbraw/zinc/27/79/19/410277919.db2.gz PUWQXDNIEMZYGO-WFASDCNBSA-N 2 2 230.355 2.324 20 0 BEADLP CC[C@@H](OCC[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000650710619 410339276 /nfs/dbraw/zinc/33/92/76/410339276.db2.gz UOFMYXKAOXDTFV-LSDHHAIUSA-N 2 2 248.370 2.106 20 0 BEADLP CC1=CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000556812129 322926509 /nfs/dbraw/zinc/92/65/09/322926509.db2.gz JQURQQBNUITFFC-LBPRGKRZSA-N 2 2 210.365 2.415 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]CC[NH+]1CCCC1 ZINC000211534252 166227751 /nfs/dbraw/zinc/22/77/51/166227751.db2.gz PJAVZMIUZSYWML-TWGQIWQCSA-N 2 2 230.355 2.385 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccoc1 ZINC000665249465 410731835 /nfs/dbraw/zinc/73/18/35/410731835.db2.gz QZEQPMYBMMISCH-SNVBAGLBSA-N 2 2 208.305 2.202 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cncc(F)c1 ZINC000665249728 410732267 /nfs/dbraw/zinc/73/22/67/410732267.db2.gz XWEBEBWDHHPHDA-JTQLQIEISA-N 2 2 237.322 2.143 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000665295569 410791865 /nfs/dbraw/zinc/79/18/65/410791865.db2.gz GCMVIXWXJQYNFR-QMTHXVAHSA-N 2 2 236.334 2.401 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000665295335 410794884 /nfs/dbraw/zinc/79/48/84/410794884.db2.gz CBGPRCLYBVBEHX-SMDDNHRTSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000665295386 410795979 /nfs/dbraw/zinc/79/59/79/410795979.db2.gz CPUHTWRORVCDMU-OCCSQVGLSA-N 2 2 235.375 2.366 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000665295834 410799749 /nfs/dbraw/zinc/79/97/49/410799749.db2.gz KAQXSGDKJGOJSE-YGRLFVJLSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000665295677 410800052 /nfs/dbraw/zinc/80/00/52/410800052.db2.gz HQJSOVCGUFLJRX-SFYZADRCSA-N 2 2 227.377 2.018 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)s1 ZINC000665296155 410804764 /nfs/dbraw/zinc/80/47/64/410804764.db2.gz NNTWTKMEYCGIQE-DTWKUNHWSA-N 2 2 241.404 2.272 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000665296306 410810104 /nfs/dbraw/zinc/81/01/04/410810104.db2.gz QHLBPQYUBOUPJM-NWDGAFQWSA-N 2 2 243.354 2.493 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000665298810 410832619 /nfs/dbraw/zinc/83/26/19/410832619.db2.gz AGGIMOKNZUVLJW-VXGBXAGGSA-N 2 2 236.359 2.262 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088402 166904548 /nfs/dbraw/zinc/90/45/48/166904548.db2.gz XLXBWJOJABZYHU-NWDGAFQWSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)C[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000052376867 167006135 /nfs/dbraw/zinc/00/61/35/167006135.db2.gz JKFFZLFZYZAPGH-ZDUSSCGKSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041029101 410904134 /nfs/dbraw/zinc/90/41/34/410904134.db2.gz JTQHEUQYMCGHDO-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041029101 410904143 /nfs/dbraw/zinc/90/41/43/410904143.db2.gz JTQHEUQYMCGHDO-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP CC(C)OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363135783 167232858 /nfs/dbraw/zinc/23/28/58/167232858.db2.gz YZMPIVBPMMYFID-GFCCVEGCSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363135783 167232861 /nfs/dbraw/zinc/23/28/61/167232861.db2.gz YZMPIVBPMMYFID-GFCCVEGCSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042545627 167293406 /nfs/dbraw/zinc/29/34/06/167293406.db2.gz RKZDYIFBKZOMHT-AWEZNQCLSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042545627 167293408 /nfs/dbraw/zinc/29/34/08/167293408.db2.gz RKZDYIFBKZOMHT-AWEZNQCLSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000252173059 167381594 /nfs/dbraw/zinc/38/15/94/167381594.db2.gz OIYBBWVDDUZKPI-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000252173059 167381598 /nfs/dbraw/zinc/38/15/98/167381598.db2.gz OIYBBWVDDUZKPI-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CO[C@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1(C)C ZINC000397542097 410927316 /nfs/dbraw/zinc/92/73/16/410927316.db2.gz VOHKYCJHWCNOSF-KGLIPLIRSA-N 2 2 248.370 2.336 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000683141369 487620041 /nfs/dbraw/zinc/62/00/41/487620041.db2.gz GVYDUPUXCWRRQY-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000683141369 487620043 /nfs/dbraw/zinc/62/00/43/487620043.db2.gz GVYDUPUXCWRRQY-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP C1=CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000659998731 411162957 /nfs/dbraw/zinc/16/29/57/411162957.db2.gz KWJHKDBPTIPVTF-UHFFFAOYSA-N 2 2 231.343 2.486 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123443031 411153160 /nfs/dbraw/zinc/15/31/60/411153160.db2.gz GAGRGHPJBIOOBL-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123443031 411153163 /nfs/dbraw/zinc/15/31/63/411153163.db2.gz GAGRGHPJBIOOBL-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000401031731 411173421 /nfs/dbraw/zinc/17/34/21/411173421.db2.gz PWRXBJNXDLKTTG-RWMBFGLXSA-N 2 2 231.343 2.190 20 0 BEADLP Cc1noc(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123687576 411182392 /nfs/dbraw/zinc/18/23/92/411182392.db2.gz NUMMYWPVNFJPOB-CYBMUJFWSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1noc(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123687576 411182393 /nfs/dbraw/zinc/18/23/93/411182393.db2.gz NUMMYWPVNFJPOB-CYBMUJFWSA-N 2 2 239.363 2.097 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272611 411185835 /nfs/dbraw/zinc/18/58/35/411185835.db2.gz QRMGNZVNKLHXHT-FZMZJTMJSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272611 411185837 /nfs/dbraw/zinc/18/58/37/411185837.db2.gz QRMGNZVNKLHXHT-FZMZJTMJSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272612 411185884 /nfs/dbraw/zinc/18/58/84/411185884.db2.gz QRMGNZVNKLHXHT-RISCZKNCSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272612 411185886 /nfs/dbraw/zinc/18/58/86/411185886.db2.gz QRMGNZVNKLHXHT-RISCZKNCSA-N 2 2 234.387 2.391 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000658097184 411244717 /nfs/dbraw/zinc/24/47/17/411244717.db2.gz VRGMNRRMJMPZEH-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000658097184 411244722 /nfs/dbraw/zinc/24/47/22/411244722.db2.gz VRGMNRRMJMPZEH-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)c1 ZINC000658033801 411209223 /nfs/dbraw/zinc/20/92/23/411209223.db2.gz ANZCVSGCUWCSHV-HZSPNIEDSA-N 2 2 247.386 2.377 20 0 BEADLP CCOC1CC([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000658054371 411221593 /nfs/dbraw/zinc/22/15/93/411221593.db2.gz DZLNJUMOHHTHOH-CPCZMJQVSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC1CC([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658054371 411221597 /nfs/dbraw/zinc/22/15/97/411221597.db2.gz DZLNJUMOHHTHOH-CPCZMJQVSA-N 2 2 240.391 2.016 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054345 411224106 /nfs/dbraw/zinc/22/41/06/411224106.db2.gz DNYJNNHJQRUNGK-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054345 411224109 /nfs/dbraw/zinc/22/41/09/411224109.db2.gz DNYJNNHJQRUNGK-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CCCO1 ZINC000658058429 411225532 /nfs/dbraw/zinc/22/55/32/411225532.db2.gz SQQSWTHCMDBWPK-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CCCO1 ZINC000658058429 411225536 /nfs/dbraw/zinc/22/55/36/411225536.db2.gz SQQSWTHCMDBWPK-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1nc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)co1 ZINC000660092641 411228226 /nfs/dbraw/zinc/22/82/26/411228226.db2.gz BNKMKSMJFXNICY-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062563 411228384 /nfs/dbraw/zinc/22/83/84/411228384.db2.gz SNKJVUHAUNGSCD-NEPJUHHUSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062563 411228385 /nfs/dbraw/zinc/22/83/85/411228385.db2.gz SNKJVUHAUNGSCD-NEPJUHHUSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000658062929 411229783 /nfs/dbraw/zinc/22/97/83/411229783.db2.gz TVTWFZVYRWBPHG-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000658062929 411229784 /nfs/dbraw/zinc/22/97/84/411229784.db2.gz TVTWFZVYRWBPHG-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP COc1cc([C@@H](C)[NH2+]CC[NH3+])ccc1SC ZINC000423193683 411237989 /nfs/dbraw/zinc/23/79/89/411237989.db2.gz VVOKPQIWEALVPL-SECBINFHSA-N 2 2 240.372 2.026 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655693267 411239188 /nfs/dbraw/zinc/23/91/88/411239188.db2.gz VYFBRKJWNKGNPK-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655693267 411239191 /nfs/dbraw/zinc/23/91/91/411239191.db2.gz VYFBRKJWNKGNPK-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164647 411276711 /nfs/dbraw/zinc/27/67/11/411276711.db2.gz GBHGFKMSDOJAIC-KOZAUXTDSA-N 2 2 244.382 2.255 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164647 411276715 /nfs/dbraw/zinc/27/67/15/411276715.db2.gz GBHGFKMSDOJAIC-KOZAUXTDSA-N 2 2 244.382 2.255 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655718781 411279339 /nfs/dbraw/zinc/27/93/39/411279339.db2.gz MTVJPULHBWRYCF-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655718781 411279343 /nfs/dbraw/zinc/27/93/43/411279343.db2.gz MTVJPULHBWRYCF-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000656487314 411284280 /nfs/dbraw/zinc/28/42/80/411284280.db2.gz WBXDBVCPDKMBCZ-JYJNAYRXSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000656487314 411284284 /nfs/dbraw/zinc/28/42/84/411284284.db2.gz WBXDBVCPDKMBCZ-JYJNAYRXSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000658192421 411288144 /nfs/dbraw/zinc/28/81/44/411288144.db2.gz JTKMVXAOJSWJKQ-CMPLNLGQSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(C)F ZINC000658192421 411288145 /nfs/dbraw/zinc/28/81/45/411288145.db2.gz JTKMVXAOJSWJKQ-CMPLNLGQSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000186277848 411292545 /nfs/dbraw/zinc/29/25/45/411292545.db2.gz YXVOTCOAFGNLRS-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000186277848 411292549 /nfs/dbraw/zinc/29/25/49/411292549.db2.gz YXVOTCOAFGNLRS-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658223115 411301804 /nfs/dbraw/zinc/30/18/04/411301804.db2.gz YDDNNESLWUHPSA-ADEWGFFLSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658223115 411301806 /nfs/dbraw/zinc/30/18/06/411301806.db2.gz YDDNNESLWUHPSA-ADEWGFFLSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cscn1 ZINC000658240555 411308821 /nfs/dbraw/zinc/30/88/21/411308821.db2.gz ZICFZTUDJYCHNT-MNOVXSKESA-N 2 2 239.388 2.278 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cscn1 ZINC000658240555 411308824 /nfs/dbraw/zinc/30/88/24/411308824.db2.gz ZICFZTUDJYCHNT-MNOVXSKESA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCSC1 ZINC000658243300 411310758 /nfs/dbraw/zinc/31/07/58/411310758.db2.gz ZXMCWIWDKYKPHW-CHWSQXEVSA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2CC)C1 ZINC000658285618 411322060 /nfs/dbraw/zinc/32/20/60/411322060.db2.gz LOKLJYZSGQSWKW-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2CC)C1 ZINC000658285618 411322061 /nfs/dbraw/zinc/32/20/61/411322061.db2.gz LOKLJYZSGQSWKW-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658285708 411322446 /nfs/dbraw/zinc/32/24/46/411322446.db2.gz MQCZLTYPWOJUAN-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658285708 411322453 /nfs/dbraw/zinc/32/24/53/411322453.db2.gz MQCZLTYPWOJUAN-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2CC)C1 ZINC000658285617 411323282 /nfs/dbraw/zinc/32/32/82/411323282.db2.gz LOKLJYZSGQSWKW-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2CC)C1 ZINC000658285617 411323283 /nfs/dbraw/zinc/32/32/83/411323283.db2.gz LOKLJYZSGQSWKW-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000658286933 411323729 /nfs/dbraw/zinc/32/37/29/411323729.db2.gz WLSYFDKJSAMLMU-NSHDSACASA-N 2 2 246.345 2.148 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000658286933 411323730 /nfs/dbraw/zinc/32/37/30/411323730.db2.gz WLSYFDKJSAMLMU-NSHDSACASA-N 2 2 246.345 2.148 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCC1 ZINC000658292878 411325707 /nfs/dbraw/zinc/32/57/07/411325707.db2.gz OBJPVPKQVIILKT-SMDDNHRTSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCC1 ZINC000658292878 411325709 /nfs/dbraw/zinc/32/57/09/411325709.db2.gz OBJPVPKQVIILKT-SMDDNHRTSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656786372 411365834 /nfs/dbraw/zinc/36/58/34/411365834.db2.gz XZEIDINGNHDUBB-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656786372 411365835 /nfs/dbraw/zinc/36/58/35/411365835.db2.gz XZEIDINGNHDUBB-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC000656788471 411367103 /nfs/dbraw/zinc/36/71/03/411367103.db2.gz QNYRVOZQVXUGDY-UHFFFAOYSA-N 2 2 240.297 2.326 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2([NH3+])CCCC2)c[nH+]1 ZINC000656789472 411369379 /nfs/dbraw/zinc/36/93/79/411369379.db2.gz OKVZFDSJDMRSEC-UHFFFAOYSA-N 3 2 247.386 2.184 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000656792433 411371639 /nfs/dbraw/zinc/37/16/39/411371639.db2.gz QLHLHFRHTNGFPS-GFCCVEGCSA-N 2 2 230.371 2.446 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](CCF)C1 ZINC000656792433 411371641 /nfs/dbraw/zinc/37/16/41/411371641.db2.gz QLHLHFRHTNGFPS-GFCCVEGCSA-N 2 2 230.371 2.446 20 0 BEADLP CC1(C[NH2+]C[C@@H]([NH3+])c2ccccc2)CCC1 ZINC000232879608 168042012 /nfs/dbraw/zinc/04/20/12/168042012.db2.gz HFKMUTHDNCLBMF-CYBMUJFWSA-N 2 2 218.344 2.466 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653488437 411378460 /nfs/dbraw/zinc/37/84/60/411378460.db2.gz VQDQVEVKRMZXME-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653488437 411378465 /nfs/dbraw/zinc/37/84/65/411378465.db2.gz VQDQVEVKRMZXME-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000336758723 168112336 /nfs/dbraw/zinc/11/23/36/168112336.db2.gz ZQBIUESIYIZCRH-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000336758723 168112339 /nfs/dbraw/zinc/11/23/39/168112339.db2.gz ZQBIUESIYIZCRH-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@H+](CC[NH2+]C2CC(C)C2)CC1 ZINC000336765406 168112729 /nfs/dbraw/zinc/11/27/29/168112729.db2.gz RBPGELJNXQQLOZ-UHFFFAOYSA-N 2 2 208.349 2.027 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+]C2CC(C)C2)CC1 ZINC000336765406 168112732 /nfs/dbraw/zinc/11/27/32/168112732.db2.gz RBPGELJNXQQLOZ-UHFFFAOYSA-N 2 2 208.349 2.027 20 0 BEADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC000235378959 168131402 /nfs/dbraw/zinc/13/14/02/168131402.db2.gz VHALYSGAMYYOEY-JSGCOSHPSA-N 2 2 233.359 2.465 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)CC1 ZINC000037157182 168166131 /nfs/dbraw/zinc/16/61/31/168166131.db2.gz NVUZMZLOIGEVCC-OTTFEQOBSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@H]1[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000336649258 168180341 /nfs/dbraw/zinc/18/03/41/168180341.db2.gz DCOLFNSXWQFQQE-BFHYXJOUSA-N 2 2 224.392 2.352 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2CCCSC2)CC1 ZINC000061589019 168180572 /nfs/dbraw/zinc/18/05/72/168180572.db2.gz LCGJVMHCFZAJEF-ZDUSSCGKSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1(C)CC1 ZINC000040771783 168180823 /nfs/dbraw/zinc/18/08/23/168180823.db2.gz FOOXLXDMDUUPJQ-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657300403 411457871 /nfs/dbraw/zinc/45/78/71/411457871.db2.gz NJHAWYLZBNYXEF-NEPJUHHUSA-N 2 2 233.359 2.498 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000655790187 411458833 /nfs/dbraw/zinc/45/88/33/411458833.db2.gz HQCGGLRWRFNYHW-UHFFFAOYSA-N 2 2 222.307 2.008 20 0 BEADLP Cc1c[nH]c(CNc2cccc(C[NH+](C)C)c2)[nH+]1 ZINC000657322380 411461954 /nfs/dbraw/zinc/46/19/54/411461954.db2.gz MUEJRTNAIQULPS-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405069344 411415676 /nfs/dbraw/zinc/41/56/76/411415676.db2.gz VKVBPMKRBXNBHZ-NSHDSACASA-N 2 2 246.345 2.481 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000217480607 411418200 /nfs/dbraw/zinc/41/82/00/411418200.db2.gz GHBXZOLEBMDJGB-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000217480607 411418202 /nfs/dbraw/zinc/41/82/02/411418202.db2.gz GHBXZOLEBMDJGB-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000653594192 411430134 /nfs/dbraw/zinc/43/01/34/411430134.db2.gz CIWRHMHQOGUELM-NSHDSACASA-N 2 2 243.301 2.082 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C(F)F ZINC000653594192 411430138 /nfs/dbraw/zinc/43/01/38/411430138.db2.gz CIWRHMHQOGUELM-NSHDSACASA-N 2 2 243.301 2.082 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccn1 ZINC000657286606 411445606 /nfs/dbraw/zinc/44/56/06/411445606.db2.gz ANCQFUTXGPRFAA-LLVKDONJSA-N 2 2 242.326 2.075 20 0 BEADLP C[NH+](C)CC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657287711 411446669 /nfs/dbraw/zinc/44/66/69/411446669.db2.gz SRJRJOFKMMCXKU-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657330450 411467442 /nfs/dbraw/zinc/46/74/42/411467442.db2.gz WASWFTFULHUVAN-QWRGUYRKSA-N 2 2 221.348 2.354 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC1(F)F ZINC000638582203 411478066 /nfs/dbraw/zinc/47/80/66/411478066.db2.gz JLGKNKPGGMRMAD-WCQGTBRESA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC1(F)F ZINC000638582203 411478069 /nfs/dbraw/zinc/47/80/69/411478069.db2.gz JLGKNKPGGMRMAD-WCQGTBRESA-N 2 2 244.329 2.104 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC=CCC1)CCC2 ZINC000657368510 411480293 /nfs/dbraw/zinc/48/02/93/411480293.db2.gz XXRUMPBHWIPMOW-LLVKDONJSA-N 2 2 217.316 2.028 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2nccs2)n1C ZINC000657490376 411533350 /nfs/dbraw/zinc/53/33/50/411533350.db2.gz IATCGSIPPHVAJK-QMMMGPOBSA-N 2 2 236.344 2.036 20 0 BEADLP CC(C)[C@H](C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369733 411483610 /nfs/dbraw/zinc/48/36/10/411483610.db2.gz CXACSXNWWXTYCI-LLVKDONJSA-N 2 2 221.348 2.211 20 0 BEADLP CCC1([NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657383090 411488090 /nfs/dbraw/zinc/48/80/90/411488090.db2.gz HFCDVOJXNARBHH-UHFFFAOYSA-N 2 2 219.332 2.252 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415089116 411490802 /nfs/dbraw/zinc/49/08/02/411490802.db2.gz MSPMUCDUUJXQJL-KYOSRNDESA-N 2 2 230.355 2.262 20 0 BEADLP Cc1c[nH]c(CNc2cc(C)cc(C)[nH+]2)[nH+]1 ZINC000657414331 411498369 /nfs/dbraw/zinc/49/83/69/411498369.db2.gz XBFQLUKUBAYSTG-UHFFFAOYSA-N 2 2 216.288 2.342 20 0 BEADLP Cc1cc[nH+]cc1NCc1c[nH+]c2n1CCC2 ZINC000657412664 411499101 /nfs/dbraw/zinc/49/91/01/411499101.db2.gz IVHYIFWUEFQIKO-UHFFFAOYSA-N 2 2 228.299 2.145 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000657416432 411500695 /nfs/dbraw/zinc/50/06/95/411500695.db2.gz DBDQMIVWIKUGRE-SNVBAGLBSA-N 2 2 219.332 2.108 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000657416431 411500898 /nfs/dbraw/zinc/50/08/98/411500898.db2.gz DBDQMIVWIKUGRE-JTQLQIEISA-N 2 2 219.332 2.108 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)CO1 ZINC000657417327 411501055 /nfs/dbraw/zinc/50/10/55/411501055.db2.gz MJPZWXSVNBZKQI-KGLIPLIRSA-N 2 2 234.343 2.090 20 0 BEADLP CC1(C)CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657423233 411503342 /nfs/dbraw/zinc/50/33/42/411503342.db2.gz BLZYLWABURWZPE-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1[nH]c(CNc2cc(N(C)C)cc[nH+]2)[nH+]c1C ZINC000657431860 411505934 /nfs/dbraw/zinc/50/59/34/411505934.db2.gz LRHGZGJALJKQHO-UHFFFAOYSA-N 2 2 245.330 2.100 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438639 411510226 /nfs/dbraw/zinc/51/02/26/411510226.db2.gz SGAXNIFLWCMCPP-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP CCC(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657445966 411512185 /nfs/dbraw/zinc/51/21/85/411512185.db2.gz DBCSOFGCVKBOBY-UHFFFAOYSA-N 2 2 221.348 2.355 20 0 BEADLP CCOc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000655792410 411514970 /nfs/dbraw/zinc/51/49/70/411514970.db2.gz QHZAQVTXPPEUFR-UHFFFAOYSA-N 2 2 248.370 2.268 20 0 BEADLP C[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657456557 411516051 /nfs/dbraw/zinc/51/60/51/411516051.db2.gz SEGUIOONWFQJQV-NWDGAFQWSA-N 2 2 233.359 2.355 20 0 BEADLP Cc1ccoc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657471762 411522943 /nfs/dbraw/zinc/52/29/43/411522943.db2.gz HQTZDOASZQFDGL-UHFFFAOYSA-N 2 2 231.299 2.021 20 0 BEADLP Cc1csc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657481642 411526905 /nfs/dbraw/zinc/52/69/05/411526905.db2.gz UYCDSOBVGXVRRD-UHFFFAOYSA-N 2 2 247.367 2.489 20 0 BEADLP C[C@]1([NH2+]Cc2c[nH+]c3n2CCC3)CC=CCC1 ZINC000657491221 411532125 /nfs/dbraw/zinc/53/21/25/411532125.db2.gz VZUBVIKKUWSCCG-AWEZNQCLSA-N 2 2 231.343 2.418 20 0 BEADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000354352576 170009560 /nfs/dbraw/zinc/00/95/60/170009560.db2.gz IJUNEZPQPXRXIT-QWHCGFSZSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000354352576 170009561 /nfs/dbraw/zinc/00/95/61/170009561.db2.gz IJUNEZPQPXRXIT-QWHCGFSZSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749723 170010496 /nfs/dbraw/zinc/01/04/96/170010496.db2.gz MBOCBIXXFIQSQY-UONOGXRCSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749723 170010497 /nfs/dbraw/zinc/01/04/97/170010497.db2.gz MBOCBIXXFIQSQY-UONOGXRCSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749723 170010499 /nfs/dbraw/zinc/01/04/99/170010499.db2.gz MBOCBIXXFIQSQY-UONOGXRCSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C)C[C@@H]1C ZINC000353749723 170010500 /nfs/dbraw/zinc/01/05/00/170010500.db2.gz MBOCBIXXFIQSQY-UONOGXRCSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccoc2)[C@H](C)C1 ZINC000173362341 170012266 /nfs/dbraw/zinc/01/22/66/170012266.db2.gz GNZVNYQZUMMNDE-DGCLKSJQSA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccoc2)[C@H](C)C1 ZINC000173362341 170012268 /nfs/dbraw/zinc/01/22/68/170012268.db2.gz GNZVNYQZUMMNDE-DGCLKSJQSA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000354352577 170019348 /nfs/dbraw/zinc/01/93/48/170019348.db2.gz IJUNEZPQPXRXIT-STQMWFEESA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]cn2)C[C@@H]1C ZINC000354352577 170019350 /nfs/dbraw/zinc/01/93/50/170019350.db2.gz IJUNEZPQPXRXIT-STQMWFEESA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@H](C)C1 ZINC000173362326 170020692 /nfs/dbraw/zinc/02/06/92/170020692.db2.gz GNZVNYQZUMMNDE-YPMHNXCESA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)[C@H](C)C1 ZINC000173362326 170020693 /nfs/dbraw/zinc/02/06/93/170020693.db2.gz GNZVNYQZUMMNDE-YPMHNXCESA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000328393301 170022949 /nfs/dbraw/zinc/02/29/49/170022949.db2.gz YLSFRHAPNYKYOQ-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC000328393301 170022950 /nfs/dbraw/zinc/02/29/50/170022950.db2.gz YLSFRHAPNYKYOQ-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2CC3(CCC3)C2)n1C ZINC000657503594 411539166 /nfs/dbraw/zinc/53/91/66/411539166.db2.gz NYAGRLURVVNSMO-UHFFFAOYSA-N 2 2 219.332 2.151 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCCC2)C1 ZINC000336744981 170030757 /nfs/dbraw/zinc/03/07/57/170030757.db2.gz ABPHBZRUYRRUHD-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCCC2)C1 ZINC000336744981 170030758 /nfs/dbraw/zinc/03/07/58/170030758.db2.gz ABPHBZRUYRRUHD-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000358353411 170031724 /nfs/dbraw/zinc/03/17/24/170031724.db2.gz OJBWNGKJTPTDCJ-TZMCWYRMSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000358353411 170031726 /nfs/dbraw/zinc/03/17/26/170031726.db2.gz OJBWNGKJTPTDCJ-TZMCWYRMSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCC2(C)CC2)[C@@H](C)C1 ZINC000309044326 170035451 /nfs/dbraw/zinc/03/54/51/170035451.db2.gz NJBZITMIXGEEKS-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000309959445 170036018 /nfs/dbraw/zinc/03/60/18/170036018.db2.gz KHOIVUJNWKVACA-AEJSXWLSSA-N 2 2 238.297 2.115 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC23CCCC3)[C@@H](C)C1 ZINC000336781542 170036641 /nfs/dbraw/zinc/03/66/41/170036641.db2.gz UWWCFAOYDNGXAR-RWMBFGLXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC23CCCC3)[C@@H](C)C1 ZINC000336781542 170036642 /nfs/dbraw/zinc/03/66/42/170036642.db2.gz UWWCFAOYDNGXAR-RWMBFGLXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC000336744978 170037051 /nfs/dbraw/zinc/03/70/51/170037051.db2.gz ABPHBZRUYRRUHD-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC000336744978 170037052 /nfs/dbraw/zinc/03/70/52/170037052.db2.gz ABPHBZRUYRRUHD-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@@H](C)C2)C1 ZINC000336778100 170038710 /nfs/dbraw/zinc/03/87/10/170038710.db2.gz KIKPLIJMXLDSDA-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@@H](C)C2)C1 ZINC000336778100 170038711 /nfs/dbraw/zinc/03/87/11/170038711.db2.gz KIKPLIJMXLDSDA-ZOBORPQBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000358283819 170039775 /nfs/dbraw/zinc/03/97/75/170039775.db2.gz DKNCPJZMQULDET-SDDRHHMPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000358283819 170039777 /nfs/dbraw/zinc/03/97/77/170039777.db2.gz DKNCPJZMQULDET-SDDRHHMPSA-N 2 2 246.345 2.494 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527672 411541200 /nfs/dbraw/zinc/54/12/00/411541200.db2.gz XGXDKDWZXPBPRG-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527672 411541202 /nfs/dbraw/zinc/54/12/02/411541202.db2.gz XGXDKDWZXPBPRG-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527674 411541830 /nfs/dbraw/zinc/54/18/30/411541830.db2.gz XGXDKDWZXPBPRG-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527674 411541832 /nfs/dbraw/zinc/54/18/32/411541832.db2.gz XGXDKDWZXPBPRG-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000657524781 411543227 /nfs/dbraw/zinc/54/32/27/411543227.db2.gz LRPJGQVJVDUYMO-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000657524781 411543229 /nfs/dbraw/zinc/54/32/29/411543229.db2.gz LRPJGQVJVDUYMO-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527066 411544005 /nfs/dbraw/zinc/54/40/05/411544005.db2.gz PVQRIYNPGYUSCY-OLZOCXBDSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527066 411544007 /nfs/dbraw/zinc/54/40/07/411544007.db2.gz PVQRIYNPGYUSCY-OLZOCXBDSA-N 2 2 242.407 2.262 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)c2ccccn2)n1C ZINC000657534775 411544459 /nfs/dbraw/zinc/54/44/59/411544459.db2.gz TXLXKDDSUPVNRU-LLVKDONJSA-N 2 2 244.342 2.017 20 0 BEADLP CC1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849226 411536860 /nfs/dbraw/zinc/53/68/60/411536860.db2.gz QKHKSFCTFVSURO-NWINJMCUSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849226 411536861 /nfs/dbraw/zinc/53/68/61/411536861.db2.gz QKHKSFCTFVSURO-NWINJMCUSA-N 2 2 222.376 2.391 20 0 BEADLP CC[C@H](COC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849845 411537066 /nfs/dbraw/zinc/53/70/66/411537066.db2.gz ZIKAYBNBYHGNMW-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849845 411537067 /nfs/dbraw/zinc/53/70/67/411537067.db2.gz ZIKAYBNBYHGNMW-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)CC(F)F ZINC000657497748 411537413 /nfs/dbraw/zinc/53/74/13/411537413.db2.gz ACDNZNWCXQCANA-VIFPVBQESA-N 2 2 243.301 2.210 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cccc(Cl)c1 ZINC000161299935 170115296 /nfs/dbraw/zinc/11/52/96/170115296.db2.gz HNPONDUVIAWDCR-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657563269 411552031 /nfs/dbraw/zinc/55/20/31/411552031.db2.gz RAYPXDGKIOLRFN-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657563269 411552032 /nfs/dbraw/zinc/55/20/32/411552032.db2.gz RAYPXDGKIOLRFN-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657563270 411552737 /nfs/dbraw/zinc/55/27/37/411552737.db2.gz RAYPXDGKIOLRFN-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657563270 411552738 /nfs/dbraw/zinc/55/27/38/411552738.db2.gz RAYPXDGKIOLRFN-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1C ZINC000657626476 411566052 /nfs/dbraw/zinc/56/60/52/411566052.db2.gz KPURCNCNYVYNLP-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1C ZINC000657626476 411566053 /nfs/dbraw/zinc/56/60/53/411566053.db2.gz KPURCNCNYVYNLP-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCOC(C)(C)C)n1C ZINC000657637388 411567783 /nfs/dbraw/zinc/56/77/83/411567783.db2.gz GQNLVXWILBBYFB-UHFFFAOYSA-N 2 2 239.363 2.023 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@@H+]1C1CC1 ZINC000657654044 411570683 /nfs/dbraw/zinc/57/06/83/411570683.db2.gz QHDTUHUXEYDUJI-DGCLKSJQSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@H+]1C1CC1 ZINC000657654044 411570684 /nfs/dbraw/zinc/57/06/84/411570684.db2.gz QHDTUHUXEYDUJI-DGCLKSJQSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@@H+]1C1CC1 ZINC000657664514 411577364 /nfs/dbraw/zinc/57/73/64/411577364.db2.gz KVIQBCJPENCBOE-JFGNBEQYSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@H+]1C1CC1 ZINC000657664514 411577366 /nfs/dbraw/zinc/57/73/66/411577366.db2.gz KVIQBCJPENCBOE-JFGNBEQYSA-N 2 2 244.329 2.247 20 0 BEADLP CC[C@](C)([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657686290 411578819 /nfs/dbraw/zinc/57/88/19/411578819.db2.gz ADOHDFQYQYGPIB-AWEZNQCLSA-N 2 2 233.359 2.498 20 0 BEADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657757519 411590180 /nfs/dbraw/zinc/59/01/80/411590180.db2.gz SVKQYMCNTDITPD-CQSZACIVSA-N 2 2 233.359 2.354 20 0 BEADLP Cn1c[nH+]cc1CCCn1c[nH+]c2c1CCCC2 ZINC000314166756 411605671 /nfs/dbraw/zinc/60/56/71/411605671.db2.gz YULMQYCOKSPKDV-UHFFFAOYSA-N 2 2 244.342 2.128 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C(F)F ZINC000657822224 411607253 /nfs/dbraw/zinc/60/72/53/411607253.db2.gz YJEWTWDCXNMWBZ-SECBINFHSA-N 2 2 231.290 2.153 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000657875574 411615498 /nfs/dbraw/zinc/61/54/98/411615498.db2.gz GXLYEHCFNJAVJF-UONOGXRCSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000657875574 411615500 /nfs/dbraw/zinc/61/55/00/411615500.db2.gz GXLYEHCFNJAVJF-UONOGXRCSA-N 2 2 234.387 2.393 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCC[NH3+] ZINC000133205068 411656155 /nfs/dbraw/zinc/65/61/55/411656155.db2.gz RQRHZHPVYJKRSG-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCC[NH3+] ZINC000133205068 411656157 /nfs/dbraw/zinc/65/61/57/411656157.db2.gz RQRHZHPVYJKRSG-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP c1cc2c(cc1NC[C@]13C[C@H]1C[NH2+]C3)CCC[NH2+]2 ZINC000663494762 411674334 /nfs/dbraw/zinc/67/43/34/411674334.db2.gz RQYBNGQNUKSRMM-SWLSCSKDSA-N 2 2 243.354 2.066 20 0 BEADLP Clc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663502336 411686348 /nfs/dbraw/zinc/68/63/48/411686348.db2.gz TXVFGFHFVQYDOG-UHFFFAOYSA-N 2 2 236.746 2.182 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000663508740 411690294 /nfs/dbraw/zinc/69/02/94/411690294.db2.gz UFABSJHHSPBQPE-MRVPVSSYSA-N 2 2 212.362 2.062 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000663509967 411691856 /nfs/dbraw/zinc/69/18/56/411691856.db2.gz NHUIUVLIBRFAEY-UFFNRZRYSA-N 2 2 222.307 2.036 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000663510741 411692404 /nfs/dbraw/zinc/69/24/04/411692404.db2.gz SEQRGHAXOHCPLP-GFCCVEGCSA-N 2 2 243.354 2.241 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000663509214 411692518 /nfs/dbraw/zinc/69/25/18/411692518.db2.gz IKCQCRNSTBCTBZ-JTQLQIEISA-N 2 2 232.327 2.439 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000663513531 411694313 /nfs/dbraw/zinc/69/43/13/411694313.db2.gz KZBOTPQPKRWQQI-NSHDSACASA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000663514819 411696830 /nfs/dbraw/zinc/69/68/30/411696830.db2.gz UEMSXZTZOLUCIG-GFCCVEGCSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1[nH+]c2c(n1CCc1c[nH+]cn1C)CCCC2 ZINC000664047984 411829103 /nfs/dbraw/zinc/82/91/03/411829103.db2.gz AGWDZEMUHMLCDS-UHFFFAOYSA-N 2 2 244.342 2.047 20 0 BEADLP Cc1nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138163 411868704 /nfs/dbraw/zinc/86/87/04/411868704.db2.gz KALVEQUZBWSVAK-GFCCVEGCSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138163 411868709 /nfs/dbraw/zinc/86/87/09/411868709.db2.gz KALVEQUZBWSVAK-GFCCVEGCSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1cc(N[C@H](C)c2[nH+]ccn2C)nc(C)[nH+]1 ZINC000664609054 411997653 /nfs/dbraw/zinc/99/76/53/411997653.db2.gz URBVXJZGHUWIDX-SECBINFHSA-N 2 2 231.303 2.000 20 0 BEADLP Cc1nc(N[C@@H](C)C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000664458509 411962483 /nfs/dbraw/zinc/96/24/83/411962483.db2.gz YOGDYWLYFUDHTH-LBPRGKRZSA-N 2 2 248.374 2.317 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CC=CC1 ZINC000662234203 412032244 /nfs/dbraw/zinc/03/22/44/412032244.db2.gz JQFAODNNBMSINQ-YPMHNXCESA-N 2 2 208.349 2.154 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000662234203 412032248 /nfs/dbraw/zinc/03/22/48/412032248.db2.gz JQFAODNNBMSINQ-YPMHNXCESA-N 2 2 208.349 2.154 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCc1nsc2ccccc21 ZINC000662245513 412041511 /nfs/dbraw/zinc/04/15/11/412041511.db2.gz RUDZAPGFMRYVSF-SNVBAGLBSA-N 2 2 249.383 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCc1nsc2ccccc21 ZINC000662245513 412041516 /nfs/dbraw/zinc/04/15/16/412041516.db2.gz RUDZAPGFMRYVSF-SNVBAGLBSA-N 2 2 249.383 2.118 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000662247199 412045171 /nfs/dbraw/zinc/04/51/71/412045171.db2.gz VHUUSLAFMWWLCV-QWRGUYRKSA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000662247199 412045173 /nfs/dbraw/zinc/04/51/73/412045173.db2.gz VHUUSLAFMWWLCV-QWRGUYRKSA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000336736850 171045272 /nfs/dbraw/zinc/04/52/72/171045272.db2.gz MZHPBLZBEUBCBZ-SFTQSGBHSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000336736850 171045274 /nfs/dbraw/zinc/04/52/74/171045274.db2.gz MZHPBLZBEUBCBZ-SFTQSGBHSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336736848 171045551 /nfs/dbraw/zinc/04/55/51/171045551.db2.gz MZHPBLZBEUBCBZ-NMKXLXIOSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336736848 171045555 /nfs/dbraw/zinc/04/55/55/171045555.db2.gz MZHPBLZBEUBCBZ-NMKXLXIOSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000271578771 171053056 /nfs/dbraw/zinc/05/30/56/171053056.db2.gz RQNNQBWHHNYOOY-NWDGAFQWSA-N 2 2 207.321 2.146 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000271578771 171053058 /nfs/dbraw/zinc/05/30/58/171053058.db2.gz RQNNQBWHHNYOOY-NWDGAFQWSA-N 2 2 207.321 2.146 20 0 BEADLP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCS1 ZINC000183182922 171082126 /nfs/dbraw/zinc/08/21/26/171082126.db2.gz WQPZDKLGXAHCRK-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCS1 ZINC000183182922 171082128 /nfs/dbraw/zinc/08/21/28/171082128.db2.gz WQPZDKLGXAHCRK-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000309099298 171115484 /nfs/dbraw/zinc/11/54/84/171115484.db2.gz GCCFXXBWNBWBNQ-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000289996161 171147728 /nfs/dbraw/zinc/14/77/28/171147728.db2.gz PDBILORNBRXFKM-RYUDHWBXSA-N 2 2 247.342 2.025 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000662278490 412070936 /nfs/dbraw/zinc/07/09/36/412070936.db2.gz YKHVPVBFWCCMIY-GFCCVEGCSA-N 2 2 237.347 2.015 20 0 BEADLP CC[C@H](C)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153327 171286735 /nfs/dbraw/zinc/28/67/35/171286735.db2.gz XEWZVTQLMOIUMH-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273046575 171317405 /nfs/dbraw/zinc/31/74/05/171317405.db2.gz HEKKCHVYGQAQJI-JTQLQIEISA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040408020 171342083 /nfs/dbraw/zinc/34/20/83/171342083.db2.gz HZWPRKXGVPXDLM-SMDDNHRTSA-N 2 2 218.344 2.089 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000309197192 171342531 /nfs/dbraw/zinc/34/25/31/171342531.db2.gz QSZWUAOPFTZQNQ-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000309197192 171342532 /nfs/dbraw/zinc/34/25/32/171342532.db2.gz QSZWUAOPFTZQNQ-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020126008 171364787 /nfs/dbraw/zinc/36/47/87/171364787.db2.gz JFQJIIMNXAYMKM-WDEREUQCSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000238857070 171365142 /nfs/dbraw/zinc/36/51/42/171365142.db2.gz XZUSPJIKFBSHMU-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000238857070 171365144 /nfs/dbraw/zinc/36/51/44/171365144.db2.gz XZUSPJIKFBSHMU-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506086 171388530 /nfs/dbraw/zinc/38/85/30/171388530.db2.gz BBGMTXWRJIQWBK-RYUDHWBXSA-N 2 2 209.337 2.297 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574645 171389041 /nfs/dbraw/zinc/38/90/41/171389041.db2.gz FVEOGRVZVMUETE-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000122466686 171389242 /nfs/dbraw/zinc/38/92/42/171389242.db2.gz WFNSLYFXEXTZHZ-RWMBFGLXSA-N 2 2 244.448 2.448 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2CCSc1ccccc1 ZINC000662306823 412093301 /nfs/dbraw/zinc/09/33/01/412093301.db2.gz FTNQTHZLBDLYGL-UHFFFAOYSA-N 2 2 248.395 2.202 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2CCSc1ccccc1 ZINC000662306823 412093306 /nfs/dbraw/zinc/09/33/06/412093306.db2.gz FTNQTHZLBDLYGL-UHFFFAOYSA-N 2 2 248.395 2.202 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665241523 412185303 /nfs/dbraw/zinc/18/53/03/412185303.db2.gz PJDAQTPSNJZBSU-MJVIPROJSA-N 2 2 216.328 2.186 20 0 BEADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242927 412187434 /nfs/dbraw/zinc/18/74/34/412187434.db2.gz OWOUIVITGBYOOL-PGUXBMHVSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccn1 ZINC000665248398 412195593 /nfs/dbraw/zinc/19/55/93/412195593.db2.gz WKCUNJUVIPXRCH-LLVKDONJSA-N 2 2 219.332 2.004 20 0 BEADLP CCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccn1 ZINC000665278147 412221503 /nfs/dbraw/zinc/22/15/03/412221503.db2.gz WFGRXDBJEYRFQN-OWYJLGKBSA-N 2 2 245.370 2.264 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(C)n1 ZINC000665278299 412221987 /nfs/dbraw/zinc/22/19/87/412221987.db2.gz AKWCQIOGQJZCBV-NUYPLMSZSA-N 2 2 245.370 2.101 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cs1 ZINC000665279340 412223086 /nfs/dbraw/zinc/22/30/86/412223086.db2.gz AOMOTTGWIXAXOK-ZBOXLXRLSA-N 2 2 236.384 2.459 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288250 412233777 /nfs/dbraw/zinc/23/37/77/412233777.db2.gz IASQKSVMZUUVJE-AWEZNQCLSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665288250 412233779 /nfs/dbraw/zinc/23/37/79/412233779.db2.gz IASQKSVMZUUVJE-AWEZNQCLSA-N 2 2 233.359 2.314 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000665294833 412238071 /nfs/dbraw/zinc/23/80/71/412238071.db2.gz XKSLYSFCOJQSFQ-BXUZGUMPSA-N 2 2 236.359 2.344 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665293867 412238168 /nfs/dbraw/zinc/23/81/68/412238168.db2.gz DRMAKPNFXSOJJU-VXGBXAGGSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000665293749 412239122 /nfs/dbraw/zinc/23/91/22/412239122.db2.gz BVXJINQMMPJABQ-NHYWBVRUSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000665294437 412239136 /nfs/dbraw/zinc/23/91/36/412239136.db2.gz OVOINEBLHMUKPU-UWVGGRQHSA-N 2 2 212.362 2.315 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000665294850 412240479 /nfs/dbraw/zinc/24/04/79/412240479.db2.gz XNXQJPBDDSTLLI-VXGBXAGGSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000665294849 412241304 /nfs/dbraw/zinc/24/13/04/412241304.db2.gz XNXQJPBDDSTLLI-RYUDHWBXSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000665294894 412241575 /nfs/dbraw/zinc/24/15/75/412241575.db2.gz YKIOVGNMZLAEMD-NWDGAFQWSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000665295431 412243012 /nfs/dbraw/zinc/24/30/12/412243012.db2.gz DLTBHUMSPZXYPB-NOZJJQNGSA-N 2 2 222.307 2.011 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000665295763 412243264 /nfs/dbraw/zinc/24/32/64/412243264.db2.gz ISQXLIHIFBZVTJ-BXUZGUMPSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000665296853 412244097 /nfs/dbraw/zinc/24/40/97/412244097.db2.gz YTTJXGGNXCUYHT-UHIISALHSA-N 2 2 218.344 2.117 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000665297854 412244365 /nfs/dbraw/zinc/24/43/65/412244365.db2.gz MZTUYMYDUSVILK-DTWKUNHWSA-N 2 2 228.361 2.015 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000665297385 412244630 /nfs/dbraw/zinc/24/46/30/412244630.db2.gz FBOJKIUDPVENKY-RYUDHWBXSA-N 2 2 243.354 2.493 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000665297856 412244647 /nfs/dbraw/zinc/24/46/47/412244647.db2.gz MZTUYMYDUSVILK-RKDXNWHRSA-N 2 2 228.361 2.015 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccsc1 ZINC000665298526 412246365 /nfs/dbraw/zinc/24/63/65/412246365.db2.gz XJJWPLHYSZJJFQ-GXSJLCMTSA-N 2 2 212.362 2.397 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000070073187 171795377 /nfs/dbraw/zinc/79/53/77/171795377.db2.gz CXTVPMAXKQXENI-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000070073187 171795379 /nfs/dbraw/zinc/79/53/79/171795379.db2.gz CXTVPMAXKQXENI-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1[nH+]ccn1Cc1cn2cccc(C)c2[nH+]1 ZINC000158307771 172027436 /nfs/dbraw/zinc/02/74/36/172027436.db2.gz HUZSAKOAKSCKOJ-UHFFFAOYSA-N 2 2 240.310 2.450 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]CC1CCCCC1 ZINC000020125720 172394659 /nfs/dbraw/zinc/39/46/59/172394659.db2.gz ZWGYSQZZEHEXTR-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000044562096 173005637 /nfs/dbraw/zinc/00/56/37/173005637.db2.gz UBAWWMZDTFIKLZ-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCCCC1 ZINC000044562096 173005633 /nfs/dbraw/zinc/00/56/33/173005633.db2.gz UBAWWMZDTFIKLZ-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000328177206 487625744 /nfs/dbraw/zinc/62/57/44/487625744.db2.gz LPLVWCWLVVZINO-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000328177206 487625752 /nfs/dbraw/zinc/62/57/52/487625752.db2.gz LPLVWCWLVVZINO-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000335596498 173032959 /nfs/dbraw/zinc/03/29/59/173032959.db2.gz RGWOJMHBQZSLIM-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000335596498 173032961 /nfs/dbraw/zinc/03/29/61/173032961.db2.gz RGWOJMHBQZSLIM-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000107787254 173035098 /nfs/dbraw/zinc/03/50/98/173035098.db2.gz VXYBDKJKLHOOPI-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000107787254 173035101 /nfs/dbraw/zinc/03/51/01/173035101.db2.gz VXYBDKJKLHOOPI-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683221 173154847 /nfs/dbraw/zinc/15/48/47/173154847.db2.gz KGMMVMIZJBCJGF-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683221 173154848 /nfs/dbraw/zinc/15/48/48/173154848.db2.gz KGMMVMIZJBCJGF-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]C(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000271714551 173319146 /nfs/dbraw/zinc/31/91/46/173319146.db2.gz ICOPFXSJCPPKPL-UHFFFAOYSA-N 2 2 234.347 2.072 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cc(C)ccc1OC ZINC000124906918 173346253 /nfs/dbraw/zinc/34/62/53/173346253.db2.gz RHQHHABVVQFCTK-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cc(C)ccc1OC ZINC000124906918 173346254 /nfs/dbraw/zinc/34/62/54/173346254.db2.gz RHQHHABVVQFCTK-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000069801115 173353674 /nfs/dbraw/zinc/35/36/74/173353674.db2.gz YWPLLXHNMNVREP-CQSZACIVSA-N 2 2 218.344 2.215 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000069801115 173353675 /nfs/dbraw/zinc/35/36/75/173353675.db2.gz YWPLLXHNMNVREP-CQSZACIVSA-N 2 2 218.344 2.215 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000039781777 173368552 /nfs/dbraw/zinc/36/85/52/173368552.db2.gz CGFHBYHVJSKREG-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC000039781777 173368554 /nfs/dbraw/zinc/36/85/54/173368554.db2.gz CGFHBYHVJSKREG-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1ccc(C)nc1 ZINC000339409456 173368971 /nfs/dbraw/zinc/36/89/71/173368971.db2.gz MHAZDRKOPDSXRU-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1ccc(C)nc1 ZINC000339409456 173368973 /nfs/dbraw/zinc/36/89/73/173368973.db2.gz MHAZDRKOPDSXRU-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOc1ccccc1C ZINC000019933434 173369159 /nfs/dbraw/zinc/36/91/59/173369159.db2.gz SWCCVRLALQDESD-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOc1ccccc1C ZINC000019933434 173369161 /nfs/dbraw/zinc/36/91/61/173369161.db2.gz SWCCVRLALQDESD-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOc1cccc(C)c1 ZINC000019933442 173379553 /nfs/dbraw/zinc/37/95/53/173379553.db2.gz SLYQFCFRMMZVKV-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOc1cccc(C)c1 ZINC000019933442 173379555 /nfs/dbraw/zinc/37/95/55/173379555.db2.gz SLYQFCFRMMZVKV-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOc1ccccc1C ZINC000019933436 173379647 /nfs/dbraw/zinc/37/96/47/173379647.db2.gz SWCCVRLALQDESD-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOc1ccccc1C ZINC000019933436 173379650 /nfs/dbraw/zinc/37/96/50/173379650.db2.gz SWCCVRLALQDESD-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1OC ZINC000050705040 173379858 /nfs/dbraw/zinc/37/98/58/173379858.db2.gz PCYULLPSIGXTAJ-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1OC ZINC000050705040 173379859 /nfs/dbraw/zinc/37/98/59/173379859.db2.gz PCYULLPSIGXTAJ-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891941 173381429 /nfs/dbraw/zinc/38/14/29/173381429.db2.gz FJXPASVVRAEYNY-GFCCVEGCSA-N 2 2 238.762 2.381 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891941 173381430 /nfs/dbraw/zinc/38/14/30/173381430.db2.gz FJXPASVVRAEYNY-GFCCVEGCSA-N 2 2 238.762 2.381 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000062036997 174216487 /nfs/dbraw/zinc/21/64/87/174216487.db2.gz OUGUCLKOOBFALA-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000062036997 174216489 /nfs/dbraw/zinc/21/64/89/174216489.db2.gz OUGUCLKOOBFALA-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358246481 174260545 /nfs/dbraw/zinc/26/05/45/174260545.db2.gz ZFGGECBLKJILCE-CQSZACIVSA-N 2 2 240.391 2.043 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358246481 174260546 /nfs/dbraw/zinc/26/05/46/174260546.db2.gz ZFGGECBLKJILCE-CQSZACIVSA-N 2 2 240.391 2.043 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000063191500 175098713 /nfs/dbraw/zinc/09/87/13/175098713.db2.gz BFSJTJXCTAXWPK-SWLSCSKDSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000063191500 175098716 /nfs/dbraw/zinc/09/87/16/175098716.db2.gz BFSJTJXCTAXWPK-SWLSCSKDSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000070984176 175099972 /nfs/dbraw/zinc/09/99/72/175099972.db2.gz LHVVGCIKOHNHPF-SWLSCSKDSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000070984176 175099973 /nfs/dbraw/zinc/09/99/73/175099973.db2.gz LHVVGCIKOHNHPF-SWLSCSKDSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683846 175110172 /nfs/dbraw/zinc/11/01/72/175110172.db2.gz AXYZKANLBCAVHJ-CYBMUJFWSA-N 2 2 246.354 2.022 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683846 175110174 /nfs/dbraw/zinc/11/01/74/175110174.db2.gz AXYZKANLBCAVHJ-CYBMUJFWSA-N 2 2 246.354 2.022 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234953945 175176616 /nfs/dbraw/zinc/17/66/16/175176616.db2.gz RGKRJGKXWIGCKH-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000090339740 175176826 /nfs/dbraw/zinc/17/68/26/175176826.db2.gz SXOBYCBNLHIWLB-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000042544276 175176841 /nfs/dbraw/zinc/17/68/41/175176841.db2.gz RSDWWGYIGVLJDG-DGCLKSJQSA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000042544276 175176843 /nfs/dbraw/zinc/17/68/43/175176843.db2.gz RSDWWGYIGVLJDG-DGCLKSJQSA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000090339742 175177603 /nfs/dbraw/zinc/17/76/03/175177603.db2.gz SXOBYCBNLHIWLB-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226340421 175258538 /nfs/dbraw/zinc/25/85/38/175258538.db2.gz SUQMLTNONZBOGB-DOMZBBRYSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226340421 175258540 /nfs/dbraw/zinc/25/85/40/175258540.db2.gz SUQMLTNONZBOGB-DOMZBBRYSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126863 175287092 /nfs/dbraw/zinc/28/70/92/175287092.db2.gz ZGNZPIXMTUJQTJ-CYBMUJFWSA-N 2 2 248.370 2.442 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043327159 175293226 /nfs/dbraw/zinc/29/32/26/175293226.db2.gz DHAAABKCFFOTCZ-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358407124 175293407 /nfs/dbraw/zinc/29/34/07/175293407.db2.gz SOYCXQGWPQFZHU-SLEUVZQESA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358407124 175293409 /nfs/dbraw/zinc/29/34/09/175293409.db2.gz SOYCXQGWPQFZHU-SLEUVZQESA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc2cc([C@@H](C)[NH2+]CC[NH3+])oc21 ZINC000037712709 175307527 /nfs/dbraw/zinc/30/75/27/175307527.db2.gz IPMZBUHQZNIEPB-SECBINFHSA-N 2 2 234.299 2.051 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CC(C)(C)[NH+](C)C ZINC000336765484 175661789 /nfs/dbraw/zinc/66/17/89/175661789.db2.gz RGFLYWKHSXTEFN-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000271960694 175731867 /nfs/dbraw/zinc/73/18/67/175731867.db2.gz GRMNQLXWSDDHLV-NWDGAFQWSA-N 2 2 238.350 2.469 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccco1 ZINC000037157940 175783788 /nfs/dbraw/zinc/78/37/88/175783788.db2.gz BGYNRLXVMJLTOI-WDEREUQCSA-N 2 2 219.288 2.215 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043324480 175924963 /nfs/dbraw/zinc/92/49/63/175924963.db2.gz OEZDULNIQNOYTN-MFKMUULPSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCOC1(C)C ZINC000340186406 176070151 /nfs/dbraw/zinc/07/01/51/176070151.db2.gz XMYIIPLJETYOFH-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCOC1(C)C ZINC000340186406 176070154 /nfs/dbraw/zinc/07/01/54/176070154.db2.gz XMYIIPLJETYOFH-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221149819 176081097 /nfs/dbraw/zinc/08/10/97/176081097.db2.gz RBFRUAUQEKSJRO-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221149819 176081099 /nfs/dbraw/zinc/08/10/99/176081099.db2.gz RBFRUAUQEKSJRO-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000308692381 176083111 /nfs/dbraw/zinc/08/31/11/176083111.db2.gz AVTJRXXNPYPMOL-ZYHUDNBSSA-N 2 2 207.321 2.468 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000070585816 176084136 /nfs/dbraw/zinc/08/41/36/176084136.db2.gz SREOGLUZORHDBK-AGIUHOORSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000070585816 176084137 /nfs/dbraw/zinc/08/41/37/176084137.db2.gz SREOGLUZORHDBK-AGIUHOORSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000083390905 176130976 /nfs/dbraw/zinc/13/09/76/176130976.db2.gz IGUZUDDAVWJLMF-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309733696 176132136 /nfs/dbraw/zinc/13/21/36/176132136.db2.gz BTEXGZKJEADTMA-MXWKQRLJSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309733696 176132138 /nfs/dbraw/zinc/13/21/38/176132138.db2.gz BTEXGZKJEADTMA-MXWKQRLJSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000020125703 176142951 /nfs/dbraw/zinc/14/29/51/176142951.db2.gz FWGYAPDMJVVEQX-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162801 176144858 /nfs/dbraw/zinc/14/48/58/176144858.db2.gz ZUECKLPEXPVAIG-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162801 176144860 /nfs/dbraw/zinc/14/48/60/176144860.db2.gz ZUECKLPEXPVAIG-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000083390910 176151005 /nfs/dbraw/zinc/15/10/05/176151005.db2.gz IGUZUDDAVWJLMF-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642983 176212623 /nfs/dbraw/zinc/21/26/23/176212623.db2.gz NDSLXCYGMGACPF-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000228977035 176213220 /nfs/dbraw/zinc/21/32/20/176213220.db2.gz CKMDNPHGHNLKIM-MRVWCRGKSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000336747398 176234424 /nfs/dbraw/zinc/23/44/24/176234424.db2.gz RZGGBHMTDCTUKZ-XGFWRYKXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000336747398 176234426 /nfs/dbraw/zinc/23/44/26/176234426.db2.gz RZGGBHMTDCTUKZ-XGFWRYKXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000309772313 176234447 /nfs/dbraw/zinc/23/44/47/176234447.db2.gz KSQQYWYFPXLBHQ-OUAUKWLOSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000309772313 176234449 /nfs/dbraw/zinc/23/44/49/176234449.db2.gz KSQQYWYFPXLBHQ-OUAUKWLOSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC000336739017 176272999 /nfs/dbraw/zinc/27/29/99/176272999.db2.gz KUJMAFICJLHYSU-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC000336739017 176273001 /nfs/dbraw/zinc/27/30/01/176273001.db2.gz KUJMAFICJLHYSU-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000339513189 176273733 /nfs/dbraw/zinc/27/37/33/176273733.db2.gz UXPMOGJWJUJKEL-BVUBDWEXSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000339513189 176273734 /nfs/dbraw/zinc/27/37/34/176273734.db2.gz UXPMOGJWJUJKEL-BVUBDWEXSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000360046220 176274475 /nfs/dbraw/zinc/27/44/75/176274475.db2.gz PGCKXPDPXQYOLT-WXHSDQCUSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000360046220 176274476 /nfs/dbraw/zinc/27/44/76/176274476.db2.gz PGCKXPDPXQYOLT-WXHSDQCUSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472731 176277286 /nfs/dbraw/zinc/27/72/86/176277286.db2.gz YFVJXKFKFLXNIW-IKWCTNDRSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472731 176277287 /nfs/dbraw/zinc/27/72/87/176277287.db2.gz YFVJXKFKFLXNIW-IKWCTNDRSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000309781868 176277629 /nfs/dbraw/zinc/27/76/29/176277629.db2.gz NBWOSEFISLKUFC-JHJVBQTASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000309781868 176277631 /nfs/dbraw/zinc/27/76/31/176277631.db2.gz NBWOSEFISLKUFC-JHJVBQTASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000036907429 176280756 /nfs/dbraw/zinc/28/07/56/176280756.db2.gz GWPFGHSXIIMKFW-NQBHXWOUSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000036907429 176280757 /nfs/dbraw/zinc/28/07/57/176280757.db2.gz GWPFGHSXIIMKFW-NQBHXWOUSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336779466 176281834 /nfs/dbraw/zinc/28/18/34/176281834.db2.gz OHYJYWNDYOKUJI-WZRBSPASSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336779466 176281835 /nfs/dbraw/zinc/28/18/35/176281835.db2.gz OHYJYWNDYOKUJI-WZRBSPASSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]1C[NH+](CC[N@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000362435134 176290614 /nfs/dbraw/zinc/29/06/14/176290614.db2.gz QXRKTPKAGQKPEW-KPWCQOOUSA-N 2 2 224.392 2.162 20 0 BEADLP C[C@H]1C[NH+](CC[N@@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000362435134 176290615 /nfs/dbraw/zinc/29/06/15/176290615.db2.gz QXRKTPKAGQKPEW-KPWCQOOUSA-N 2 2 224.392 2.162 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]1C ZINC000293415252 176303508 /nfs/dbraw/zinc/30/35/08/176303508.db2.gz MTTVJRTUCJZBLC-VXGBXAGGSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]1C ZINC000293415252 176303509 /nfs/dbraw/zinc/30/35/09/176303509.db2.gz MTTVJRTUCJZBLC-VXGBXAGGSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000131565954 176367829 /nfs/dbraw/zinc/36/78/29/176367829.db2.gz SAJXSMHVYNKMOQ-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000131565954 176367830 /nfs/dbraw/zinc/36/78/30/176367830.db2.gz SAJXSMHVYNKMOQ-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1F ZINC000131780192 176367973 /nfs/dbraw/zinc/36/79/73/176367973.db2.gz ZZAGONSXBHDTNQ-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1F ZINC000131780192 176367974 /nfs/dbraw/zinc/36/79/74/176367974.db2.gz ZZAGONSXBHDTNQ-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1C ZINC000093644763 176371637 /nfs/dbraw/zinc/37/16/37/176371637.db2.gz XOWUZAYHCKPZIB-OCCSQVGLSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1C ZINC000093644763 176371639 /nfs/dbraw/zinc/37/16/39/176371639.db2.gz XOWUZAYHCKPZIB-OCCSQVGLSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644763 176371641 /nfs/dbraw/zinc/37/16/41/176371641.db2.gz XOWUZAYHCKPZIB-OCCSQVGLSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1C ZINC000093644763 176371643 /nfs/dbraw/zinc/37/16/43/176371643.db2.gz XOWUZAYHCKPZIB-OCCSQVGLSA-N 2 2 248.370 2.307 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@@H+]1C1CC1 ZINC000129883598 176377306 /nfs/dbraw/zinc/37/73/06/176377306.db2.gz HDTXYFWIKHMBQZ-ZYHUDNBSSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@H+]1C1CC1 ZINC000129883598 176377308 /nfs/dbraw/zinc/37/73/08/176377308.db2.gz HDTXYFWIKHMBQZ-ZYHUDNBSSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000334989369 176391341 /nfs/dbraw/zinc/39/13/41/176391341.db2.gz GYCAYCKOSDCRLI-VXGBXAGGSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)[NH+](C)C ZINC000336747006 176684663 /nfs/dbraw/zinc/68/46/63/176684663.db2.gz CDDRDCRYQMLYSW-GRYCIOLGSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245343 177033632 /nfs/dbraw/zinc/03/36/32/177033632.db2.gz ANXMSEUBCHWAGL-NXEZZACHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245343 177033634 /nfs/dbraw/zinc/03/36/34/177033634.db2.gz ANXMSEUBCHWAGL-NXEZZACHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[NH2+]CC1 ZINC000022098723 177041859 /nfs/dbraw/zinc/04/18/59/177041859.db2.gz BELKYPKQNALTJJ-LLVKDONJSA-N 2 2 222.307 2.182 20 0 BEADLP C[C@H](c1ccccc1F)[N@H+]1CCC[NH2+]CC1 ZINC000022098723 177041860 /nfs/dbraw/zinc/04/18/60/177041860.db2.gz BELKYPKQNALTJJ-LLVKDONJSA-N 2 2 222.307 2.182 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CCSC1 ZINC000336782277 177075890 /nfs/dbraw/zinc/07/58/90/177075890.db2.gz XDESPVNHQNYIRT-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CCSC1 ZINC000336782277 177075891 /nfs/dbraw/zinc/07/58/91/177075891.db2.gz XDESPVNHQNYIRT-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000336678299 177097574 /nfs/dbraw/zinc/09/75/74/177097574.db2.gz BQCYJTCCESXUMR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000336678299 177097576 /nfs/dbraw/zinc/09/75/76/177097576.db2.gz BQCYJTCCESXUMR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[N@H+](CCOc2ccccc2)[C@@H]1C[NH3+] ZINC000043617143 177100212 /nfs/dbraw/zinc/10/02/12/177100212.db2.gz KMILFZGGMNSGDK-DZGCQCFKSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H]1CCC[N@@H+](CCOc2ccccc2)[C@@H]1C[NH3+] ZINC000043617143 177100213 /nfs/dbraw/zinc/10/02/13/177100213.db2.gz KMILFZGGMNSGDK-DZGCQCFKSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2cccs2)[C@@H]1C[NH3+] ZINC000069725974 177101778 /nfs/dbraw/zinc/10/17/78/177101778.db2.gz LWRNQDIZDRIJTB-CMPLNLGQSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2cccs2)[C@@H]1C[NH3+] ZINC000069725974 177101780 /nfs/dbraw/zinc/10/17/80/177101780.db2.gz LWRNQDIZDRIJTB-CMPLNLGQSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000070984193 177102711 /nfs/dbraw/zinc/10/27/11/177102711.db2.gz NZAHPVGIUWLFBT-SMDDNHRTSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H]1C[NH3+] ZINC000070984193 177102714 /nfs/dbraw/zinc/10/27/14/177102714.db2.gz NZAHPVGIUWLFBT-SMDDNHRTSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000020125704 177137412 /nfs/dbraw/zinc/13/74/12/177137412.db2.gz FWGYAPDMJVVEQX-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780498 177235300 /nfs/dbraw/zinc/23/53/00/177235300.db2.gz RNBNHPRLOXLMHM-AAEUAGOBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780498 177235303 /nfs/dbraw/zinc/23/53/03/177235303.db2.gz RNBNHPRLOXLMHM-AAEUAGOBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000309444026 177237374 /nfs/dbraw/zinc/23/73/74/177237374.db2.gz KTXPYOBYERKENC-GXTWGEPZSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000309444026 177237375 /nfs/dbraw/zinc/23/73/75/177237375.db2.gz KTXPYOBYERKENC-GXTWGEPZSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781085 177239208 /nfs/dbraw/zinc/23/92/08/177239208.db2.gz TWUWDUFZVKPAAD-GXFFZTMASA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781085 177239209 /nfs/dbraw/zinc/23/92/09/177239209.db2.gz TWUWDUFZVKPAAD-GXFFZTMASA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000049714422 177263457 /nfs/dbraw/zinc/26/34/57/177263457.db2.gz JGDMYTDFLRUZFD-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000049714422 177263459 /nfs/dbraw/zinc/26/34/59/177263459.db2.gz JGDMYTDFLRUZFD-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1[NH3+] ZINC000235726192 177265005 /nfs/dbraw/zinc/26/50/05/177265005.db2.gz AJKIRSFYMNSEGW-NHYWBVRUSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1[NH3+] ZINC000235726192 177265006 /nfs/dbraw/zinc/26/50/06/177265006.db2.gz AJKIRSFYMNSEGW-NHYWBVRUSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000019488637 177312770 /nfs/dbraw/zinc/31/27/70/177312770.db2.gz YPUSYEIGJPDTBG-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000019488637 177312772 /nfs/dbraw/zinc/31/27/72/177312772.db2.gz YPUSYEIGJPDTBG-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000122288527 177332493 /nfs/dbraw/zinc/33/24/93/177332493.db2.gz DUMZGPYCAWQWBO-GXTWGEPZSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@H+]1C1CC1 ZINC000122288527 177332494 /nfs/dbraw/zinc/33/24/94/177332494.db2.gz DUMZGPYCAWQWBO-GXTWGEPZSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000121459303 177369212 /nfs/dbraw/zinc/36/92/12/177369212.db2.gz AMOGTZHIRKVJLM-AAEUAGOBSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000121459303 177369214 /nfs/dbraw/zinc/36/92/14/177369214.db2.gz AMOGTZHIRKVJLM-AAEUAGOBSA-N 2 2 234.387 2.391 20 0 BEADLP Fc1c[nH+]ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000678787289 487642965 /nfs/dbraw/zinc/64/29/65/487642965.db2.gz HKHSPZGTPCPDMD-UHFFFAOYSA-N 2 2 246.289 2.328 20 0 BEADLP COCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400360824 225094468 /nfs/dbraw/zinc/09/44/68/225094468.db2.gz CZPQBHLAIKNKHZ-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CC1(C)C ZINC000487266388 225293833 /nfs/dbraw/zinc/29/38/33/225293833.db2.gz CERZWUZIVZXLGR-WVWOOGAGSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CC1(C)C ZINC000487266388 225293838 /nfs/dbraw/zinc/29/38/38/225293838.db2.gz CERZWUZIVZXLGR-WVWOOGAGSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000488418754 225394042 /nfs/dbraw/zinc/39/40/42/225394042.db2.gz OAAMJPMLYBIZHC-ZFWWWQNUSA-N 2 2 232.371 2.364 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000488418754 225394046 /nfs/dbraw/zinc/39/40/46/225394046.db2.gz OAAMJPMLYBIZHC-ZFWWWQNUSA-N 2 2 232.371 2.364 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cncc(F)c1 ZINC000494592132 226266802 /nfs/dbraw/zinc/26/68/02/226266802.db2.gz NWGDOJQONIYOMO-UHFFFAOYSA-N 2 2 245.301 2.256 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)C(C)C)C1 ZINC000328323240 487657274 /nfs/dbraw/zinc/65/72/74/487657274.db2.gz FIXKENPPSUQFDY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)C(C)C)C1 ZINC000328323240 487657280 /nfs/dbraw/zinc/65/72/80/487657280.db2.gz FIXKENPPSUQFDY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)C(C)C)C1 ZINC000328323244 487657929 /nfs/dbraw/zinc/65/79/29/487657929.db2.gz FIXKENPPSUQFDY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)C(C)C)C1 ZINC000328323244 487657933 /nfs/dbraw/zinc/65/79/33/487657933.db2.gz FIXKENPPSUQFDY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCC1CCCCC1 ZINC000162939530 487672416 /nfs/dbraw/zinc/67/24/16/487672416.db2.gz LBBNRSARVMABGL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCC1CCCCC1 ZINC000162939530 487672421 /nfs/dbraw/zinc/67/24/21/487672421.db2.gz LBBNRSARVMABGL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000669699661 487694771 /nfs/dbraw/zinc/69/47/71/487694771.db2.gz HZTHFDMNLXUYSB-ZIAGYGMSSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000669699661 487694776 /nfs/dbraw/zinc/69/47/76/487694776.db2.gz HZTHFDMNLXUYSB-ZIAGYGMSSA-N 2 2 234.387 2.393 20 0 BEADLP Cc1cncc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000228619296 487695858 /nfs/dbraw/zinc/69/58/58/487695858.db2.gz MWQOJMWIOVRHIR-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cncc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000228619296 487695864 /nfs/dbraw/zinc/69/58/64/487695864.db2.gz MWQOJMWIOVRHIR-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527867417 262885903 /nfs/dbraw/zinc/88/59/03/262885903.db2.gz JREGCWIPOOIXNP-FMSGJZPZSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527867417 262885904 /nfs/dbraw/zinc/88/59/04/262885904.db2.gz JREGCWIPOOIXNP-FMSGJZPZSA-N 2 2 234.387 2.390 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)CCO1 ZINC000097928653 487704995 /nfs/dbraw/zinc/70/49/95/487704995.db2.gz ZFOCLYUTOQXPHU-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CC[C@H](C)[NH+]1Cc1c[nH+]c2n1CCC2 ZINC000667698492 487722241 /nfs/dbraw/zinc/72/22/41/487722241.db2.gz DPJRKJLWSLBVFD-QWRGUYRKSA-N 2 2 219.332 2.202 20 0 BEADLP [NH3+]C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000082765860 487727604 /nfs/dbraw/zinc/72/76/04/487727604.db2.gz LFSNIAOAHBEGNC-UHFFFAOYSA-N 2 2 227.311 2.162 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313259649 487763073 /nfs/dbraw/zinc/76/30/73/487763073.db2.gz FGGZZRFIUMOCFB-YPMHNXCESA-N 2 2 221.348 2.131 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1F ZINC000414950786 487774416 /nfs/dbraw/zinc/77/44/16/487774416.db2.gz IAOSCCIUIHQJLL-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP COCCC1C[NH+](CCCc2ccc(C)[nH+]c2)C1 ZINC000668472416 487796755 /nfs/dbraw/zinc/79/67/55/487796755.db2.gz ZAGXWTDHRGLCCY-UHFFFAOYSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302122 487800537 /nfs/dbraw/zinc/80/05/37/487800537.db2.gz JTLLOVHRLMNNMX-ZIAGYGMSSA-N 2 2 249.358 2.007 20 0 BEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302122 487800541 /nfs/dbraw/zinc/80/05/41/487800541.db2.gz JTLLOVHRLMNNMX-ZIAGYGMSSA-N 2 2 249.358 2.007 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC000234402714 487819119 /nfs/dbraw/zinc/81/91/19/487819119.db2.gz RNPDNHYDURJGMD-LBPRGKRZSA-N 2 2 206.333 2.001 20 0 BEADLP C[C@@H]1C[C@H](C)[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668089970 487833875 /nfs/dbraw/zinc/83/38/75/487833875.db2.gz CMURSGUTXJGJRI-TXEJJXNPSA-N 2 2 242.326 2.250 20 0 BEADLP C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668089970 487833878 /nfs/dbraw/zinc/83/38/78/487833878.db2.gz CMURSGUTXJGJRI-TXEJJXNPSA-N 2 2 242.326 2.250 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC(C)=C(C)C2)n1C ZINC000668097342 487837062 /nfs/dbraw/zinc/83/70/62/487837062.db2.gz DVMXECAESHXUGJ-UHFFFAOYSA-N 2 2 219.332 2.271 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC(C)=C(C)C2)n1C ZINC000668097342 487837065 /nfs/dbraw/zinc/83/70/65/487837065.db2.gz DVMXECAESHXUGJ-UHFFFAOYSA-N 2 2 219.332 2.271 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000681743421 487851541 /nfs/dbraw/zinc/85/15/41/487851541.db2.gz LRJQAMSYXKYAFE-DGCLKSJQSA-N 2 2 233.359 2.366 20 0 BEADLP CC[C@@]1(C)CCC[C@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668153496 487854486 /nfs/dbraw/zinc/85/44/86/487854486.db2.gz QPKXNYUMZJQEDC-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000676490239 487855569 /nfs/dbraw/zinc/85/55/69/487855569.db2.gz OYYJBTMDHXKGHL-ZDUSSCGKSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000676490239 487855573 /nfs/dbraw/zinc/85/55/73/487855573.db2.gz OYYJBTMDHXKGHL-ZDUSSCGKSA-N 2 2 234.387 2.393 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(OC(C)C)CC1 ZINC000666689000 487860805 /nfs/dbraw/zinc/86/08/05/487860805.db2.gz FIWGWVYOJNSJQS-ZDUSSCGKSA-N 2 2 242.407 2.249 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1nccc2ccccc21 ZINC000666877223 487874528 /nfs/dbraw/zinc/87/45/28/487874528.db2.gz BINMMHXEJPOCFM-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccccc1C1CC1 ZINC000666781566 487880163 /nfs/dbraw/zinc/88/01/63/487880163.db2.gz URYIPMQOBHXJNX-UHFFFAOYSA-N 2 2 218.344 2.263 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1nccc2ccccc21)C1CC1 ZINC000666834172 487887609 /nfs/dbraw/zinc/88/76/09/487887609.db2.gz SDXTVJLOPLMMKH-AWEZNQCLSA-N 2 2 241.338 2.062 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000666867905 487894452 /nfs/dbraw/zinc/89/44/52/487894452.db2.gz XVKUNHZTCLLBNG-SECBINFHSA-N 2 2 249.745 2.325 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cscc1Cl ZINC000666930283 487907178 /nfs/dbraw/zinc/90/71/78/487907178.db2.gz VQWKECLBIGLFQI-BQBZGAKWSA-N 2 2 218.753 2.227 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000083375069 487909842 /nfs/dbraw/zinc/90/98/42/487909842.db2.gz PZLWKJWNSNGXMG-UHFFFAOYSA-N 2 2 246.276 2.145 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C ZINC000666946781 487910587 /nfs/dbraw/zinc/91/05/87/487910587.db2.gz QCHGBCYCCIYDPR-QNWJLWSRSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000666945266 487910613 /nfs/dbraw/zinc/91/06/13/487910613.db2.gz HMXHHUPVCDYBEY-QWRGUYRKSA-N 2 2 242.725 2.130 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000666945293 487910175 /nfs/dbraw/zinc/91/01/75/487910175.db2.gz IWXHPVCGNNCTSU-STQMWFEESA-N 2 2 228.355 2.246 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666943537 487910261 /nfs/dbraw/zinc/91/02/61/487910261.db2.gz WOVIGJLAWRHOSU-KBPBESRZSA-N 2 2 236.334 2.039 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C1 ZINC000666946510 487911347 /nfs/dbraw/zinc/91/13/47/487911347.db2.gz GKMLRBTYERIFGB-BNDIWNMDSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666947600 487910944 /nfs/dbraw/zinc/91/09/44/487910944.db2.gz CJMJACQYWCBXMU-NDBYEHHHSA-N 2 2 228.355 2.102 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC(C)(C)C1 ZINC000666946740 487911154 /nfs/dbraw/zinc/91/11/54/487911154.db2.gz OSIJVSYVKMBJDW-VOAKCMCISA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)CC1 ZINC000083434953 487911890 /nfs/dbraw/zinc/91/18/90/487911890.db2.gz IPKWJTRIWIODGL-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000666946479 487911525 /nfs/dbraw/zinc/91/15/25/487911525.db2.gz DRXRJGBFFSZWSE-XDQVBPFNSA-N 2 2 240.366 2.245 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC(C)(C)C1 ZINC000666946737 487911611 /nfs/dbraw/zinc/91/16/11/487911611.db2.gz OSIJVSYVKMBJDW-CYDGBPFRSA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417361058 487925027 /nfs/dbraw/zinc/92/50/27/487925027.db2.gz YGKJHOMKCZFTPE-VXGBXAGGSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211716801 487929176 /nfs/dbraw/zinc/92/91/76/487929176.db2.gz VLRMYTAIAZRAQT-XHDPSFHLSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000211716801 487929179 /nfs/dbraw/zinc/92/91/79/487929179.db2.gz VLRMYTAIAZRAQT-XHDPSFHLSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccc(F)c1 ZINC000113602498 487951179 /nfs/dbraw/zinc/95/11/79/487951179.db2.gz AKQKYNMQRXZUBA-SNVBAGLBSA-N 2 2 210.296 2.167 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(F)c1 ZINC000113602498 487951181 /nfs/dbraw/zinc/95/11/81/487951181.db2.gz AKQKYNMQRXZUBA-SNVBAGLBSA-N 2 2 210.296 2.167 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000566500759 323003681 /nfs/dbraw/zinc/00/36/81/323003681.db2.gz QUUNUABATQKPNC-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000562682744 323027195 /nfs/dbraw/zinc/02/71/95/323027195.db2.gz AAPBEIVCBWXXPY-NSHDSACASA-N 2 2 249.383 2.245 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000562779019 323030502 /nfs/dbraw/zinc/03/05/02/323030502.db2.gz UMUVTTJHUNFYPN-UKRRQHHQSA-N 2 2 247.386 2.464 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000562779019 323030503 /nfs/dbraw/zinc/03/05/03/323030503.db2.gz UMUVTTJHUNFYPN-UKRRQHHQSA-N 2 2 247.386 2.464 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000562955706 323034877 /nfs/dbraw/zinc/03/48/77/323034877.db2.gz IYZAOBBQEJQYGI-QWHCGFSZSA-N 2 2 248.370 2.406 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccoc1 ZINC000562962054 323035878 /nfs/dbraw/zinc/03/58/78/323035878.db2.gz VAUOVMRATHSFOS-ZYHUDNBSSA-N 2 2 208.305 2.072 20 0 BEADLP CC[C@@H]1OCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000569966795 323046000 /nfs/dbraw/zinc/04/60/00/323046000.db2.gz LOKNEGWNAFDKKC-KGLIPLIRSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000570225370 323053746 /nfs/dbraw/zinc/05/37/46/323053746.db2.gz OGLWMGGSLBMBFK-OLZOCXBDSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000570225370 323053747 /nfs/dbraw/zinc/05/37/47/323053747.db2.gz OGLWMGGSLBMBFK-OLZOCXBDSA-N 2 2 246.358 2.132 20 0 BEADLP CC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000570557463 323062889 /nfs/dbraw/zinc/06/28/89/323062889.db2.gz BDHLUJXOHPICDT-UHFFFAOYSA-N 2 2 219.332 2.320 20 0 BEADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCCO1 ZINC000570679696 323066616 /nfs/dbraw/zinc/06/66/16/323066616.db2.gz UZDOBFSGOZMNDR-GJZGRUSLSA-N 2 2 248.370 2.480 20 0 BEADLP CC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000570826456 323071889 /nfs/dbraw/zinc/07/18/89/323071889.db2.gz AUQWPFYWRVSAOP-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC1(C[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000570936236 323074763 /nfs/dbraw/zinc/07/47/63/323074763.db2.gz VLZAJKAKPCTYJL-GXTWGEPZSA-N 2 2 248.345 2.352 20 0 BEADLP CC1(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000570936236 323074764 /nfs/dbraw/zinc/07/47/64/323074764.db2.gz VLZAJKAKPCTYJL-GXTWGEPZSA-N 2 2 248.345 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1C1CC1 ZINC000308721568 323081041 /nfs/dbraw/zinc/08/10/41/323081041.db2.gz DMMPFPBXGWCSMG-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@H+]1C1CC1 ZINC000308721568 323081042 /nfs/dbraw/zinc/08/10/42/323081042.db2.gz DMMPFPBXGWCSMG-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000319631698 323085561 /nfs/dbraw/zinc/08/55/61/323085561.db2.gz ZOWRILNDYPAEQC-DGCLKSJQSA-N 2 2 206.333 2.321 20 0 BEADLP [NH3+]C[C@@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC000394647718 323089190 /nfs/dbraw/zinc/08/91/90/323089190.db2.gz XRBXSAQDKVAZGU-CQSZACIVSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC000394647718 323089191 /nfs/dbraw/zinc/08/91/91/323089191.db2.gz XRBXSAQDKVAZGU-CQSZACIVSA-N 2 2 240.391 2.006 20 0 BEADLP C[C@@H]1CC([NH2+]CC2([NH+](C)C)CC2)C[C@@H](C)C1 ZINC000397791416 323096500 /nfs/dbraw/zinc/09/65/00/323096500.db2.gz RYGBNGNODBBRLF-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@]1(C)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370304 323100342 /nfs/dbraw/zinc/10/03/42/323100342.db2.gz RDYWUFDMZGRMBB-CQSZACIVSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@]1(C)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370304 323100343 /nfs/dbraw/zinc/10/03/43/323100343.db2.gz RDYWUFDMZGRMBB-CQSZACIVSA-N 2 2 235.375 2.475 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000571062696 323106089 /nfs/dbraw/zinc/10/60/89/323106089.db2.gz YTAOEWCTLMFPDT-IMRBUKKESA-N 2 2 227.311 2.222 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)o1 ZINC000531685874 323110948 /nfs/dbraw/zinc/11/09/48/323110948.db2.gz OIMZVNFJPLCUNY-ABAIWWIYSA-N 2 2 248.370 2.203 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)o1 ZINC000531685874 323110949 /nfs/dbraw/zinc/11/09/49/323110949.db2.gz OIMZVNFJPLCUNY-ABAIWWIYSA-N 2 2 248.370 2.203 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000310026996 323127399 /nfs/dbraw/zinc/12/73/99/323127399.db2.gz PVFHIYOIFYEVQW-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000310026996 323127400 /nfs/dbraw/zinc/12/74/00/323127400.db2.gz PVFHIYOIFYEVQW-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000563532061 323129299 /nfs/dbraw/zinc/12/92/99/323129299.db2.gz UVEHPEJXJFWFFM-CABCVRRESA-N 2 2 248.370 2.073 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000310675716 323133900 /nfs/dbraw/zinc/13/39/00/323133900.db2.gz JHRGAPPIPKEQSN-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccnc2ccccc12 ZINC000310675716 323133901 /nfs/dbraw/zinc/13/39/01/323133901.db2.gz JHRGAPPIPKEQSN-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)CC ZINC000571156851 323136853 /nfs/dbraw/zinc/13/68/53/323136853.db2.gz IBUZHEGBAROISL-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)CC ZINC000571156851 323136854 /nfs/dbraw/zinc/13/68/54/323136854.db2.gz IBUZHEGBAROISL-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP Cc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1C ZINC000571461864 323145398 /nfs/dbraw/zinc/14/53/98/323145398.db2.gz NBCDRQVYHDOINQ-UHFFFAOYSA-N 2 2 232.371 2.486 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](CC)CC)C1CCOCC1 ZINC000531932625 323155058 /nfs/dbraw/zinc/15/50/58/323155058.db2.gz ZKROLFASDNCCKI-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)o1 ZINC000531939807 323155390 /nfs/dbraw/zinc/15/53/90/323155390.db2.gz CMPKOBLSPJGXMW-YPMHNXCESA-N 2 2 248.370 2.345 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)o1 ZINC000531939807 323155391 /nfs/dbraw/zinc/15/53/91/323155391.db2.gz CMPKOBLSPJGXMW-YPMHNXCESA-N 2 2 248.370 2.345 20 0 BEADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)c(C)s1 ZINC000049687064 323163804 /nfs/dbraw/zinc/16/38/04/323163804.db2.gz BJASKCJSYCZFLR-UHFFFAOYSA-N 2 2 235.356 2.351 20 0 BEADLP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000535047353 323164435 /nfs/dbraw/zinc/16/44/35/323164435.db2.gz JISRFSWZIYKBGR-UHFFFAOYSA-N 2 2 240.297 2.150 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991842 323165832 /nfs/dbraw/zinc/16/58/32/323165832.db2.gz AOUXQWDYMQNSMF-IINYFYTJSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991842 323165833 /nfs/dbraw/zinc/16/58/33/323165833.db2.gz AOUXQWDYMQNSMF-IINYFYTJSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991844 323165872 /nfs/dbraw/zinc/16/58/72/323165872.db2.gz AOUXQWDYMQNSMF-YGRLFVJLSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000531991844 323165873 /nfs/dbraw/zinc/16/58/73/323165873.db2.gz AOUXQWDYMQNSMF-YGRLFVJLSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1(C)CC1 ZINC000308796396 323178191 /nfs/dbraw/zinc/17/81/91/323178191.db2.gz JFMMGZOVXXBKID-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000308962124 323182668 /nfs/dbraw/zinc/18/26/68/323182668.db2.gz SEIROYJHUDJUIR-MNOVXSKESA-N 2 2 226.389 2.219 20 0 BEADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397665611 323184942 /nfs/dbraw/zinc/18/49/42/323184942.db2.gz PACUPNNQXXEOFE-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529669717 323185863 /nfs/dbraw/zinc/18/58/63/323185863.db2.gz OEUQRPASGIDEDG-BZPMIXESSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000529669717 323185864 /nfs/dbraw/zinc/18/58/64/323185864.db2.gz OEUQRPASGIDEDG-BZPMIXESSA-N 2 2 222.376 2.249 20 0 BEADLP CSCC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000395125931 323188293 /nfs/dbraw/zinc/18/82/93/323188293.db2.gz WNBJORZNVVYTPW-HIFPTAJRSA-N 2 2 244.448 2.448 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccoc1 ZINC000532246395 323211933 /nfs/dbraw/zinc/21/19/33/323211933.db2.gz OJKBEMFLNULCKE-COPLHBTASA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccoc1 ZINC000532246395 323211935 /nfs/dbraw/zinc/21/19/35/323211935.db2.gz OJKBEMFLNULCKE-COPLHBTASA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1(C)CC1 ZINC000309110281 323318121 /nfs/dbraw/zinc/31/81/21/323318121.db2.gz JKNXUFOIYDXAHX-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1(C)CC1 ZINC000309110281 323318124 /nfs/dbraw/zinc/31/81/24/323318124.db2.gz JKNXUFOIYDXAHX-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1C ZINC000321112598 323377141 /nfs/dbraw/zinc/37/71/41/323377141.db2.gz QTSSHBYRWNLZKJ-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@@H]1C ZINC000322020328 323394686 /nfs/dbraw/zinc/39/46/86/323394686.db2.gz KFXZWJVCVMMSHF-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCCC12CC2 ZINC000572135913 323550064 /nfs/dbraw/zinc/55/00/64/323550064.db2.gz PTGRXEIVBYKHGT-ZDUSSCGKSA-N 2 2 222.376 2.395 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]CCc1ccc(Cl)cc1 ZINC000162754037 323642487 /nfs/dbraw/zinc/64/24/87/323642487.db2.gz FLLAJIYFWYRABC-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000459370121 324146164 /nfs/dbraw/zinc/14/61/64/324146164.db2.gz WYCLBQYIDVDAHE-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000459370121 324146161 /nfs/dbraw/zinc/14/61/61/324146161.db2.gz WYCLBQYIDVDAHE-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538063 324329908 /nfs/dbraw/zinc/32/99/08/324329908.db2.gz JVASXCJCAUTPES-ONGXEEELSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538063 324329913 /nfs/dbraw/zinc/32/99/13/324329913.db2.gz JVASXCJCAUTPES-ONGXEEELSA-N 2 2 244.329 2.247 20 0 BEADLP c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179652 324510415 /nfs/dbraw/zinc/51/04/15/324510415.db2.gz ZQIUQBDLXAZBJA-CYBMUJFWSA-N 2 2 216.328 2.061 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cncs1 ZINC000530217759 324534788 /nfs/dbraw/zinc/53/47/88/324534788.db2.gz HLDKBVQVBKYMOT-ONGXEEELSA-N 2 2 237.372 2.078 20 0 BEADLP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000530222012 324540515 /nfs/dbraw/zinc/54/05/15/324540515.db2.gz QNKXQHXNVVHAJO-OCCSQVGLSA-N 2 2 233.359 2.010 20 0 BEADLP c1cn(Cc2[nH+]ccn2Cc2ccccc2)c[nH+]1 ZINC000129976676 325000098 /nfs/dbraw/zinc/00/00/98/325000098.db2.gz SZQYKRPANVOWSE-UHFFFAOYSA-N 2 2 238.294 2.176 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000130310907 325037427 /nfs/dbraw/zinc/03/74/27/325037427.db2.gz PFAJGKJBKUPJRY-CZXHOFHRSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000130310907 325037430 /nfs/dbraw/zinc/03/74/30/325037430.db2.gz PFAJGKJBKUPJRY-CZXHOFHRSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000130750640 325083885 /nfs/dbraw/zinc/08/38/85/325083885.db2.gz SALFHTSMIZTBTQ-QJPTWQEYSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000130750640 325083887 /nfs/dbraw/zinc/08/38/87/325083887.db2.gz SALFHTSMIZTBTQ-QJPTWQEYSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000131013200 325107333 /nfs/dbraw/zinc/10/73/33/325107333.db2.gz FYDXIEFRBTYRMF-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000131013200 325107336 /nfs/dbraw/zinc/10/73/36/325107336.db2.gz FYDXIEFRBTYRMF-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131461855 325153408 /nfs/dbraw/zinc/15/34/08/325153408.db2.gz BMOXADKKTIIJHL-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131461855 325153410 /nfs/dbraw/zinc/15/34/10/325153410.db2.gz BMOXADKKTIIJHL-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000545899548 325244349 /nfs/dbraw/zinc/24/43/49/325244349.db2.gz YYVXKFFFTBMAMB-CYBMUJFWSA-N 2 2 244.382 2.085 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000545899548 325244350 /nfs/dbraw/zinc/24/43/50/325244350.db2.gz YYVXKFFFTBMAMB-CYBMUJFWSA-N 2 2 244.382 2.085 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2CCC(F)(F)CC2)n1C ZINC000566497589 326058577 /nfs/dbraw/zinc/05/85/77/326058577.db2.gz ZLLBZGHFJCUNTN-UHFFFAOYSA-N 2 2 243.301 2.396 20 0 BEADLP FC(F)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000566549463 326063139 /nfs/dbraw/zinc/06/31/39/326063139.db2.gz SUVVOPVUGRFYBV-GFCCVEGCSA-N 2 2 240.297 2.466 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CO2 ZINC000566791072 326082593 /nfs/dbraw/zinc/08/25/93/326082593.db2.gz NQHAANNIKOHYSH-UBHSHLNASA-N 2 2 246.354 2.159 20 0 BEADLP CCCn1ccc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000567406115 326184628 /nfs/dbraw/zinc/18/46/28/326184628.db2.gz DPKHYQYFHASGRA-UHFFFAOYSA-N 2 2 235.375 2.080 20 0 BEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCC(C)(C)C ZINC000313304732 326262452 /nfs/dbraw/zinc/26/24/52/326262452.db2.gz RRDQJPNDLKHWQX-STQMWFEESA-N 2 2 242.407 2.169 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccncc1 ZINC000568273092 326339303 /nfs/dbraw/zinc/33/93/03/326339303.db2.gz JHHXMELYLVFAAJ-CQSZACIVSA-N 2 2 244.342 2.364 20 0 BEADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000568499568 326359677 /nfs/dbraw/zinc/35/96/77/326359677.db2.gz XDHDGMGYEVPLAV-QWHCGFSZSA-N 2 2 249.358 2.302 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cc3cccnc3o2)C1 ZINC000568768480 326376743 /nfs/dbraw/zinc/37/67/43/326376743.db2.gz VIAWSQLCHHDYRL-UHFFFAOYSA-N 2 2 245.326 2.010 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000568769283 326376850 /nfs/dbraw/zinc/37/68/50/326376850.db2.gz DXXSELNGPMJMHV-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000568769283 326376851 /nfs/dbraw/zinc/37/68/51/326376851.db2.gz DXXSELNGPMJMHV-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072328 487987123 /nfs/dbraw/zinc/98/71/23/487987123.db2.gz JALCVJISSYYBHZ-NWDGAFQWSA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072328 487987125 /nfs/dbraw/zinc/98/71/25/487987125.db2.gz JALCVJISSYYBHZ-NWDGAFQWSA-N 2 2 207.321 2.319 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000653625936 487995308 /nfs/dbraw/zinc/99/53/08/487995308.db2.gz YBDIMSUEEJZTGS-GXTWGEPZSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000653625936 487995309 /nfs/dbraw/zinc/99/53/09/487995309.db2.gz YBDIMSUEEJZTGS-GXTWGEPZSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000653625939 487995289 /nfs/dbraw/zinc/99/52/89/487995289.db2.gz YBDIMSUEEJZTGS-TZMCWYRMSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000653625939 487995291 /nfs/dbraw/zinc/99/52/91/487995291.db2.gz YBDIMSUEEJZTGS-TZMCWYRMSA-N 2 2 233.359 2.227 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000668617493 488014696 /nfs/dbraw/zinc/01/46/96/488014696.db2.gz YXFDJDXROAIWQI-IHRRRGAJSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502579 488031725 /nfs/dbraw/zinc/03/17/25/488031725.db2.gz IKNHELJCXCXOJD-CYBMUJFWSA-N 2 2 233.359 2.450 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502579 488031728 /nfs/dbraw/zinc/03/17/28/488031728.db2.gz IKNHELJCXCXOJD-CYBMUJFWSA-N 2 2 233.359 2.450 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C(C)C)n1C ZINC000667502879 488031740 /nfs/dbraw/zinc/03/17/40/488031740.db2.gz RNWLLTIMTKUVNU-ZDUSSCGKSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C(C)C)n1C ZINC000667502879 488031743 /nfs/dbraw/zinc/03/17/43/488031743.db2.gz RNWLLTIMTKUVNU-ZDUSSCGKSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)n1C ZINC000667555809 488045211 /nfs/dbraw/zinc/04/52/11/488045211.db2.gz NXCDGBXGLNHGQD-OCCSQVGLSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)n1C ZINC000667555809 488045215 /nfs/dbraw/zinc/04/52/15/488045215.db2.gz NXCDGBXGLNHGQD-OCCSQVGLSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)CC2CCCC2)n1C ZINC000667564671 488047801 /nfs/dbraw/zinc/04/78/01/488047801.db2.gz VEUXWLCERNPWJA-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)CC2CCCC2)n1C ZINC000667564671 488047804 /nfs/dbraw/zinc/04/78/04/488047804.db2.gz VEUXWLCERNPWJA-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667567794 488048868 /nfs/dbraw/zinc/04/88/68/488048868.db2.gz IEAZYNKUVNPHIU-RYUDHWBXSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667567794 488048870 /nfs/dbraw/zinc/04/88/70/488048870.db2.gz IEAZYNKUVNPHIU-RYUDHWBXSA-N 2 2 233.359 2.450 20 0 BEADLP CC[N@H+](Cc1ccoc1)Cc1c[nH+]c(C)n1C ZINC000667583353 488053438 /nfs/dbraw/zinc/05/34/38/488053438.db2.gz CNILGHFTKJFDPO-UHFFFAOYSA-N 2 2 233.315 2.344 20 0 BEADLP CC[N@@H+](Cc1ccoc1)Cc1c[nH+]c(C)n1C ZINC000667583353 488053440 /nfs/dbraw/zinc/05/34/40/488053440.db2.gz CNILGHFTKJFDPO-UHFFFAOYSA-N 2 2 233.315 2.344 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C2CC2)n1C ZINC000667596507 488054516 /nfs/dbraw/zinc/05/45/16/488054516.db2.gz LAGBAQHALHUSGC-ZDUSSCGKSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C2CC2)n1C ZINC000667596507 488054521 /nfs/dbraw/zinc/05/45/21/488054521.db2.gz LAGBAQHALHUSGC-ZDUSSCGKSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC(C(F)F)CC2)n1C ZINC000667645525 488068900 /nfs/dbraw/zinc/06/89/00/488068900.db2.gz RJMRCMHKWANEPA-UHFFFAOYSA-N 2 2 243.301 2.206 20 0 BEADLP Cc1[nH+]cn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000319813689 488070171 /nfs/dbraw/zinc/07/01/71/488070171.db2.gz VHOGIHOXDZWPMX-RYUDHWBXSA-N 2 2 235.375 2.478 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667650813 488074428 /nfs/dbraw/zinc/07/44/28/488074428.db2.gz DXVFLJFBHBJIAP-PWSUYJOCSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667650813 488074431 /nfs/dbraw/zinc/07/44/31/488074431.db2.gz DXVFLJFBHBJIAP-PWSUYJOCSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCSC(C)(C)C2)n1C ZINC000667651162 488074483 /nfs/dbraw/zinc/07/44/83/488074483.db2.gz NPEIGVKSGRQTBX-UHFFFAOYSA-N 2 2 239.388 2.056 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCSC(C)(C)C2)n1C ZINC000667651162 488074485 /nfs/dbraw/zinc/07/44/85/488074485.db2.gz NPEIGVKSGRQTBX-UHFFFAOYSA-N 2 2 239.388 2.056 20 0 BEADLP CC[C@@]1(C)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667682325 488084649 /nfs/dbraw/zinc/08/46/49/488084649.db2.gz HGGHNZHGMCGXBE-ZDUSSCGKSA-N 2 2 221.348 2.351 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667682325 488084657 /nfs/dbraw/zinc/08/46/57/488084657.db2.gz HGGHNZHGMCGXBE-ZDUSSCGKSA-N 2 2 221.348 2.351 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667693577 488089222 /nfs/dbraw/zinc/08/92/22/488089222.db2.gz PPOPLHSGCGTFQF-MNOVXSKESA-N 2 2 219.332 2.060 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667693577 488089226 /nfs/dbraw/zinc/08/92/26/488089226.db2.gz PPOPLHSGCGTFQF-MNOVXSKESA-N 2 2 219.332 2.060 20 0 BEADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667693578 488089320 /nfs/dbraw/zinc/08/93/20/488089320.db2.gz PPOPLHSGCGTFQF-QWRGUYRKSA-N 2 2 219.332 2.060 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000667693578 488089324 /nfs/dbraw/zinc/08/93/24/488089324.db2.gz PPOPLHSGCGTFQF-QWRGUYRKSA-N 2 2 219.332 2.060 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000389490631 488098494 /nfs/dbraw/zinc/09/84/94/488098494.db2.gz ZNCBVQFFPPMQAS-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000389490631 488098496 /nfs/dbraw/zinc/09/84/96/488098496.db2.gz ZNCBVQFFPPMQAS-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000378961368 488113552 /nfs/dbraw/zinc/11/35/52/488113552.db2.gz QPPSUWITYQQHFY-XBFCOCLRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000378961368 488113555 /nfs/dbraw/zinc/11/35/55/488113555.db2.gz QPPSUWITYQQHFY-XBFCOCLRSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[C@@H](CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657348917 488115729 /nfs/dbraw/zinc/11/57/29/488115729.db2.gz LXTXETBYNNXFTJ-LLVKDONJSA-N 2 2 221.348 2.498 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000397653402 488128613 /nfs/dbraw/zinc/12/86/13/488128613.db2.gz MGAZSFYNXJMOMP-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000397653402 488128618 /nfs/dbraw/zinc/12/86/18/488128618.db2.gz MGAZSFYNXJMOMP-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2C[C@H]2C)C1 ZINC000321178373 488130882 /nfs/dbraw/zinc/13/08/82/488130882.db2.gz ZFTHSFUANFZGCZ-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2C[C@H]2C)C1 ZINC000321178373 488130884 /nfs/dbraw/zinc/13/08/84/488130884.db2.gz ZFTHSFUANFZGCZ-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1F ZINC000258747910 488132371 /nfs/dbraw/zinc/13/23/71/488132371.db2.gz GDNPUZBBCREZDD-UHFFFAOYSA-N 2 2 240.322 2.003 20 0 BEADLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1F ZINC000258747910 488132378 /nfs/dbraw/zinc/13/23/78/488132378.db2.gz GDNPUZBBCREZDD-UHFFFAOYSA-N 2 2 240.322 2.003 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccs1 ZINC000086729372 487539343 /nfs/dbraw/zinc/53/93/43/487539343.db2.gz ZXSCSYNNRCBBJM-VHSXEESVSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668242952 487540586 /nfs/dbraw/zinc/54/05/86/487540586.db2.gz OXTZWNYXJOPQRV-GRYCIOLGSA-N 2 2 233.359 2.306 20 0 BEADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668242952 487540591 /nfs/dbraw/zinc/54/05/91/487540591.db2.gz OXTZWNYXJOPQRV-GRYCIOLGSA-N 2 2 233.359 2.306 20 0 BEADLP C[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)[NH+](C)C ZINC000674063232 487506544 /nfs/dbraw/zinc/50/65/44/487506544.db2.gz JKXKUFAJFCZDQC-SNVBAGLBSA-N 2 2 236.363 2.136 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@H]1[NH3+] ZINC000662271563 487517364 /nfs/dbraw/zinc/51/73/64/487517364.db2.gz WSECGJPWMXCVJE-ZWNOBZJWSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@H]1[NH3+] ZINC000662271563 487517371 /nfs/dbraw/zinc/51/73/71/487517371.db2.gz WSECGJPWMXCVJE-ZWNOBZJWSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]1CC[C@]2(CC[N@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517978 487520600 /nfs/dbraw/zinc/52/06/00/487520600.db2.gz NTDNPIRXEMTCEY-HIFRSBDPSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@@H]1CC[C@]2(CC[N@@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517978 487520607 /nfs/dbraw/zinc/52/06/07/487520607.db2.gz NTDNPIRXEMTCEY-HIFRSBDPSA-N 2 2 247.386 2.475 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000382236443 487534211 /nfs/dbraw/zinc/53/42/11/487534211.db2.gz QNKULYZYVGGAAP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC2)C1 ZINC000382236443 487534219 /nfs/dbraw/zinc/53/42/19/487534219.db2.gz QNKULYZYVGGAAP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657880475 488160558 /nfs/dbraw/zinc/16/05/58/488160558.db2.gz RWULZMMOHVTAPV-UHFFFAOYSA-N 2 2 248.361 2.396 20 0 BEADLP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](CC)CO1 ZINC000403782937 487888031 /nfs/dbraw/zinc/88/80/31/487888031.db2.gz GUINWKHKBRZPTK-MGPQQGTHSA-N 2 2 242.407 2.249 20 0 BEADLP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](CC)CO1 ZINC000403782937 487888036 /nfs/dbraw/zinc/88/80/36/487888036.db2.gz GUINWKHKBRZPTK-MGPQQGTHSA-N 2 2 242.407 2.249 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C)C1 ZINC000666946511 487909022 /nfs/dbraw/zinc/90/90/22/487909022.db2.gz GKMLRBTYERIFGB-MOLYVOAJSA-N 2 2 228.355 2.101 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000682676216 488011894 /nfs/dbraw/zinc/01/18/94/488011894.db2.gz TWYDJLDXOCDVNF-UHFFFAOYSA-N 2 2 244.382 2.318 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000682676216 488011899 /nfs/dbraw/zinc/01/18/99/488011899.db2.gz TWYDJLDXOCDVNF-UHFFFAOYSA-N 2 2 244.382 2.318 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499570 488047484 /nfs/dbraw/zinc/04/74/84/488047484.db2.gz DBNKKJORCAFKHI-UHFFFAOYSA-N 2 2 242.366 2.406 20 0 BEADLP c1ccc2[nH+]c(N[C@@H]3CC[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000044725692 488110509 /nfs/dbraw/zinc/11/05/09/488110509.db2.gz FWBRXNRKFUDIDO-SNVBAGLBSA-N 2 2 242.326 2.212 20 0 BEADLP c1ccc2[nH+]c(N[C@@H]3CC[N@H+](C4CC4)C3)[nH]c2c1 ZINC000044725692 488110515 /nfs/dbraw/zinc/11/05/15/488110515.db2.gz FWBRXNRKFUDIDO-SNVBAGLBSA-N 2 2 242.326 2.212 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000683227942 488135174 /nfs/dbraw/zinc/13/51/74/488135174.db2.gz GXTOITMTUOBAKR-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000683227942 488135178 /nfs/dbraw/zinc/13/51/78/488135178.db2.gz GXTOITMTUOBAKR-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccsc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000258807024 488136484 /nfs/dbraw/zinc/13/64/84/488136484.db2.gz KPDAPCPENLHGON-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP Cc1ccsc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000258807024 488136487 /nfs/dbraw/zinc/13/64/87/488136487.db2.gz KPDAPCPENLHGON-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859194 488140215 /nfs/dbraw/zinc/14/02/15/488140215.db2.gz HXBNAAZKLKQOKG-KBXIAJHMSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859194 488140219 /nfs/dbraw/zinc/14/02/19/488140219.db2.gz HXBNAAZKLKQOKG-KBXIAJHMSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859193 488140721 /nfs/dbraw/zinc/14/07/21/488140721.db2.gz HXBNAAZKLKQOKG-CBBWQLFWSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859193 488140725 /nfs/dbraw/zinc/14/07/25/488140725.db2.gz HXBNAAZKLKQOKG-CBBWQLFWSA-N 2 2 234.387 2.249 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000259025074 488146727 /nfs/dbraw/zinc/14/67/27/488146727.db2.gz ZDQBICUEIPOROC-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088694 488151415 /nfs/dbraw/zinc/15/14/15/488151415.db2.gz NQBGHYABVUFMPQ-OXHZDVMGSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088694 488151418 /nfs/dbraw/zinc/15/14/18/488151418.db2.gz NQBGHYABVUFMPQ-OXHZDVMGSA-N 2 2 222.376 2.105 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657880475 488160555 /nfs/dbraw/zinc/16/05/55/488160555.db2.gz RWULZMMOHVTAPV-UHFFFAOYSA-N 2 2 248.361 2.396 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003569 488182024 /nfs/dbraw/zinc/18/20/24/488182024.db2.gz UBWUXWSZWWHEIP-AAEUAGOBSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003569 488182027 /nfs/dbraw/zinc/18/20/27/488182027.db2.gz UBWUXWSZWWHEIP-AAEUAGOBSA-N 2 2 233.359 2.450 20 0 BEADLP CC1=C(C)C[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668098479 488203401 /nfs/dbraw/zinc/20/34/01/488203401.db2.gz JCUHDWDSQFAUBG-UHFFFAOYSA-N 2 2 231.343 2.371 20 0 BEADLP CC1=C(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668098479 488203405 /nfs/dbraw/zinc/20/34/05/488203405.db2.gz JCUHDWDSQFAUBG-UHFFFAOYSA-N 2 2 231.343 2.371 20 0 BEADLP C[C@@H](CCNc1cc[nH+]c(C2CC2)n1)[NH+](C)C ZINC000664242663 488205810 /nfs/dbraw/zinc/20/58/10/488205810.db2.gz FLKCGUXAYPMAEZ-JTQLQIEISA-N 2 2 234.347 2.106 20 0 BEADLP CO[C@@]1(C)C[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668745996 488206171 /nfs/dbraw/zinc/20/61/71/488206171.db2.gz JLQWSYIWZZMLJN-KGLIPLIRSA-N 2 2 234.343 2.090 20 0 BEADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccncc1 ZINC000668155330 488210892 /nfs/dbraw/zinc/21/08/92/488210892.db2.gz LCQAFJNVCQBSAW-UHFFFAOYSA-N 2 2 244.342 2.146 20 0 BEADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccncc1 ZINC000668155330 488210895 /nfs/dbraw/zinc/21/08/95/488210895.db2.gz LCQAFJNVCQBSAW-UHFFFAOYSA-N 2 2 244.342 2.146 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154904 488210978 /nfs/dbraw/zinc/21/09/78/488210978.db2.gz ZPPSHZLZIARYBN-RWMBFGLXSA-N 2 2 212.381 2.351 20 0 BEADLP CC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000683830054 488226174 /nfs/dbraw/zinc/22/61/74/488226174.db2.gz QMNGAVHBEBHYLR-GFCCVEGCSA-N 2 2 219.332 2.320 20 0 BEADLP CC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000683830054 488226176 /nfs/dbraw/zinc/22/61/76/488226176.db2.gz QMNGAVHBEBHYLR-GFCCVEGCSA-N 2 2 219.332 2.320 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)c(C)n1 ZINC000678412291 488251898 /nfs/dbraw/zinc/25/18/98/488251898.db2.gz SVSMNCQVKFVCGO-ZDUSSCGKSA-N 2 2 247.386 2.445 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)c(C)n1 ZINC000678412290 488252877 /nfs/dbraw/zinc/25/28/77/488252877.db2.gz SVSMNCQVKFVCGO-CYBMUJFWSA-N 2 2 247.386 2.445 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678413754 488252902 /nfs/dbraw/zinc/25/29/02/488252902.db2.gz LZQVAYVHAIYBLH-KGLIPLIRSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000678413754 488252903 /nfs/dbraw/zinc/25/29/03/488252903.db2.gz LZQVAYVHAIYBLH-KGLIPLIRSA-N 2 2 247.386 2.443 20 0 BEADLP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000672344914 488253056 /nfs/dbraw/zinc/25/30/56/488253056.db2.gz QQXROXGSONQXLB-JTQLQIEISA-N 2 2 236.363 2.136 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCCO ZINC000679339723 488341661 /nfs/dbraw/zinc/34/16/61/488341661.db2.gz JQGCAHRNGKABDA-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCCO ZINC000679339723 488341662 /nfs/dbraw/zinc/34/16/62/488341662.db2.gz JQGCAHRNGKABDA-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CC[NH+](CC)CCNc1cc[nH+]c(C(C)C)n1 ZINC000110110679 490104059 /nfs/dbraw/zinc/10/40/59/490104059.db2.gz HNLMDBQGFCPPHR-UHFFFAOYSA-N 2 2 236.363 2.354 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccn2)C1 ZINC000683011976 490153143 /nfs/dbraw/zinc/15/31/43/490153143.db2.gz QDDFRPUCPWYMHC-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)ccn2)C1 ZINC000683011976 490153148 /nfs/dbraw/zinc/15/31/48/490153148.db2.gz QDDFRPUCPWYMHC-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)ccn2)C1 ZINC000683011976 490153154 /nfs/dbraw/zinc/15/31/54/490153154.db2.gz QDDFRPUCPWYMHC-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683011976 490153160 /nfs/dbraw/zinc/15/31/60/490153160.db2.gz QDDFRPUCPWYMHC-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1c[nH+]ccc1NCCCCn1cc[nH+]c1 ZINC000070489646 490217674 /nfs/dbraw/zinc/21/76/74/490217674.db2.gz SBSAOZJAAPLRCX-UHFFFAOYSA-N 2 2 230.315 2.479 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210750 490225767 /nfs/dbraw/zinc/22/57/67/490225767.db2.gz WNTJGWUCHZSNGW-SPWCGHHHSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424210750 490225768 /nfs/dbraw/zinc/22/57/68/490225768.db2.gz WNTJGWUCHZSNGW-SPWCGHHHSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC1(F)F ZINC000666228698 490291380 /nfs/dbraw/zinc/29/13/80/490291380.db2.gz WDIIHOHVOWIHHT-GUDRVLHUSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CC1(F)F ZINC000666228698 490291382 /nfs/dbraw/zinc/29/13/82/490291382.db2.gz WDIIHOHVOWIHHT-GUDRVLHUSA-N 2 2 244.329 2.245 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539824 490357854 /nfs/dbraw/zinc/35/78/54/490357854.db2.gz NKDUYBRALKKEDE-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539824 490357857 /nfs/dbraw/zinc/35/78/57/490357857.db2.gz NKDUYBRALKKEDE-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522048 490364185 /nfs/dbraw/zinc/36/41/85/490364185.db2.gz UNZAUOVKBGANQP-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000094522048 490364190 /nfs/dbraw/zinc/36/41/90/490364190.db2.gz UNZAUOVKBGANQP-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000537964320 490396373 /nfs/dbraw/zinc/39/63/73/490396373.db2.gz MKPLULDWOJGIGR-SWLSCSKDSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000537964320 490396383 /nfs/dbraw/zinc/39/63/83/490396383.db2.gz MKPLULDWOJGIGR-SWLSCSKDSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000300515382 490564944 /nfs/dbraw/zinc/56/49/44/490564944.db2.gz BMKAVKMCJKZCNH-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000300515382 490564947 /nfs/dbraw/zinc/56/49/47/490564947.db2.gz BMKAVKMCJKZCNH-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000651910713 491077949 /nfs/dbraw/zinc/07/79/49/491077949.db2.gz GBCNOWIGAVVGIR-ARLBYUKCSA-N 2 2 244.382 2.391 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000651910713 491077950 /nfs/dbraw/zinc/07/79/50/491077950.db2.gz GBCNOWIGAVVGIR-ARLBYUKCSA-N 2 2 244.382 2.391 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000395093426 491125230 /nfs/dbraw/zinc/12/52/30/491125230.db2.gz CZTJNRPKEWMIEE-MROQNXINSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000395093426 491125231 /nfs/dbraw/zinc/12/52/31/491125231.db2.gz CZTJNRPKEWMIEE-MROQNXINSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)c(C)s1 ZINC000560943301 491130763 /nfs/dbraw/zinc/13/07/63/491130763.db2.gz PLLCQZGVSRXNBX-GFCCVEGCSA-N 2 2 224.373 2.207 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309609361 491152373 /nfs/dbraw/zinc/15/23/73/491152373.db2.gz ZNMRNZJEPDLVSW-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309609361 491152374 /nfs/dbraw/zinc/15/23/74/491152374.db2.gz ZNMRNZJEPDLVSW-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000309781827 491156490 /nfs/dbraw/zinc/15/64/90/491156490.db2.gz NBBJPTPXQPWBGO-KGLIPLIRSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000309781827 491156491 /nfs/dbraw/zinc/15/64/91/491156491.db2.gz NBBJPTPXQPWBGO-KGLIPLIRSA-N 2 2 222.376 2.274 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400539175 533776732 /nfs/dbraw/zinc/77/67/32/533776732.db2.gz ULHQOUWLRYTIMM-HUBLWGQQSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)[NH+](C)C ZINC000308534926 534059386 /nfs/dbraw/zinc/05/93/86/534059386.db2.gz RPCSWDPYCXBJSA-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP CC[C@]1(O)CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348195794 535963279 /nfs/dbraw/zinc/96/32/79/535963279.db2.gz YXFZRDAIDGGGTB-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@]1(O)CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000348195794 535963286 /nfs/dbraw/zinc/96/32/86/535963286.db2.gz YXFZRDAIDGGGTB-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400566372 534817490 /nfs/dbraw/zinc/81/74/90/534817490.db2.gz IWOKOUODBWKXKV-JQWIXIFHSA-N 2 2 224.373 2.287 20 0 BEADLP CCCSC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892568336 582915718 /nfs/dbraw/zinc/91/57/18/582915718.db2.gz YPHBGGURPXXEPX-NWDGAFQWSA-N 2 2 241.404 2.393 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000486924116 529106794 /nfs/dbraw/zinc/10/67/94/529106794.db2.gz BZQXKAOUGOSNFT-UJAVWCLSSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000486924116 529106797 /nfs/dbraw/zinc/10/67/97/529106797.db2.gz BZQXKAOUGOSNFT-UJAVWCLSSA-N 2 2 245.370 2.169 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261557938 535039872 /nfs/dbraw/zinc/03/98/72/535039872.db2.gz CWHCSLMHHZBJIP-SWLSCSKDSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261557938 535039876 /nfs/dbraw/zinc/03/98/76/535039876.db2.gz CWHCSLMHHZBJIP-SWLSCSKDSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261550829 535040584 /nfs/dbraw/zinc/04/05/84/535040584.db2.gz QZPVEDZKNSEEEC-SWLSCSKDSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261550829 535040587 /nfs/dbraw/zinc/04/05/87/535040587.db2.gz QZPVEDZKNSEEEC-SWLSCSKDSA-N 2 2 248.370 2.253 20 0 BEADLP CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037413318 535158271 /nfs/dbraw/zinc/15/82/71/535158271.db2.gz BLEMMVPSCOCSIJ-UHFFFAOYSA-N 2 2 219.332 2.050 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C(C)C ZINC000251417567 535280211 /nfs/dbraw/zinc/28/02/11/535280211.db2.gz PFFKMOVUGOBJCZ-OLZOCXBDSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C(C)C ZINC000251417567 535280208 /nfs/dbraw/zinc/28/02/08/535280208.db2.gz PFFKMOVUGOBJCZ-OLZOCXBDSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCOCC1 ZINC000086873256 535305697 /nfs/dbraw/zinc/30/56/97/535305697.db2.gz NJMYEZHIVSQXMW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC1(C)C ZINC000086855709 535541398 /nfs/dbraw/zinc/54/13/98/535541398.db2.gz VJGRDYHDPHHRBW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000262117194 535809042 /nfs/dbraw/zinc/80/90/42/535809042.db2.gz MZVMICPGNMMGHC-QWHCGFSZSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729717 535937325 /nfs/dbraw/zinc/93/73/25/535937325.db2.gz YWLUAPYIDBFARD-OLZOCXBDSA-N 2 2 204.317 2.089 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)CCC1CCOCC1 ZINC000261567532 536386075 /nfs/dbraw/zinc/38/60/75/536386075.db2.gz ZWELNGCMVMICTO-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)CCC1CCOCC1 ZINC000261567532 536386079 /nfs/dbraw/zinc/38/60/79/536386079.db2.gz ZWELNGCMVMICTO-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP C[N@@H+]1CCC[C@H]1CCn1c[nH+]c2c1CCCC2 ZINC000335339663 536390041 /nfs/dbraw/zinc/39/00/41/536390041.db2.gz REPYRCDZBNDDQW-LBPRGKRZSA-N 2 2 233.359 2.246 20 0 BEADLP C[N@H+]1CCC[C@H]1CCn1c[nH+]c2c1CCCC2 ZINC000335339663 536390042 /nfs/dbraw/zinc/39/00/42/536390042.db2.gz REPYRCDZBNDDQW-LBPRGKRZSA-N 2 2 233.359 2.246 20 0 BEADLP CC1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000335606856 566405479 /nfs/dbraw/zinc/40/54/79/566405479.db2.gz YTLUIUVGADJDRZ-JTQLQIEISA-N 2 2 219.332 2.047 20 0 BEADLP CC1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000335606856 566405482 /nfs/dbraw/zinc/40/54/82/566405482.db2.gz YTLUIUVGADJDRZ-JTQLQIEISA-N 2 2 219.332 2.047 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000853248817 588728865 /nfs/dbraw/zinc/72/88/65/588728865.db2.gz KOKMUEBPZZHIQO-ZETCQYMHSA-N 2 2 218.753 2.099 20 0 BEADLP C[N@@H+](Cc1cc2ccccc2[nH]1)CC1C[NH+](C)C1 ZINC000668539306 582739958 /nfs/dbraw/zinc/73/99/58/582739958.db2.gz RZVMNVFDVQTRNN-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@H+](Cc1cc2ccccc2[nH]1)CC1C[NH+](C)C1 ZINC000668539306 582739960 /nfs/dbraw/zinc/73/99/60/582739960.db2.gz RZVMNVFDVQTRNN-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000892434370 582887023 /nfs/dbraw/zinc/88/70/23/582887023.db2.gz YPJCOSZQKFAPPX-LLVKDONJSA-N 2 2 232.437 2.448 20 0 BEADLP Cc1ccc(CC[NH2+]CCn2cc[nH+]c2)cc1C ZINC000892441572 582887847 /nfs/dbraw/zinc/88/78/47/582887847.db2.gz OXPAJYIKHNESTQ-UHFFFAOYSA-N 2 2 243.354 2.332 20 0 BEADLP C[C@H](O)c1cccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674453 582948806 /nfs/dbraw/zinc/94/88/06/582948806.db2.gz VJEQDKWYTYAAPX-SRVKXCTJSA-N 2 2 249.358 2.030 20 0 BEADLP C[C@H](O)c1cccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674453 582948807 /nfs/dbraw/zinc/94/88/07/582948807.db2.gz VJEQDKWYTYAAPX-SRVKXCTJSA-N 2 2 249.358 2.030 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000892720973 582967994 /nfs/dbraw/zinc/96/79/94/582967994.db2.gz HZWUUJIBXDVHPT-CABCVRRESA-N 2 2 244.382 2.400 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000892720973 582967996 /nfs/dbraw/zinc/96/79/96/582967996.db2.gz HZWUUJIBXDVHPT-CABCVRRESA-N 2 2 244.382 2.400 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000892720977 582968205 /nfs/dbraw/zinc/96/82/05/582968205.db2.gz HZWUUJIBXDVHPT-HUUCEWRRSA-N 2 2 244.382 2.400 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000892720977 582968207 /nfs/dbraw/zinc/96/82/07/582968207.db2.gz HZWUUJIBXDVHPT-HUUCEWRRSA-N 2 2 244.382 2.400 20 0 BEADLP Cc1coc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000893952119 583260744 /nfs/dbraw/zinc/26/07/44/583260744.db2.gz BGSMVZDROMKWIX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1coc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000893952119 583260746 /nfs/dbraw/zinc/26/07/46/583260746.db2.gz BGSMVZDROMKWIX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1coc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000893952119 583260749 /nfs/dbraw/zinc/26/07/49/583260749.db2.gz BGSMVZDROMKWIX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1coc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000893952119 583260751 /nfs/dbraw/zinc/26/07/51/583260751.db2.gz BGSMVZDROMKWIX-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ncoc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000893967203 583264225 /nfs/dbraw/zinc/26/42/25/583264225.db2.gz XCBNZSCOZULKOP-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncoc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000893967203 583264228 /nfs/dbraw/zinc/26/42/28/583264228.db2.gz XCBNZSCOZULKOP-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)co2)C1 ZINC000894087231 583298797 /nfs/dbraw/zinc/29/87/97/583298797.db2.gz VYUSKVWHMLLLEX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)co2)C1 ZINC000894087231 583298799 /nfs/dbraw/zinc/29/87/99/583298799.db2.gz VYUSKVWHMLLLEX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)co2)C1 ZINC000894087231 583298801 /nfs/dbraw/zinc/29/88/01/583298801.db2.gz VYUSKVWHMLLLEX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)co2)C1 ZINC000894087231 583298802 /nfs/dbraw/zinc/29/88/02/583298802.db2.gz VYUSKVWHMLLLEX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894178090 583328317 /nfs/dbraw/zinc/32/83/17/583328317.db2.gz CMISXHJQCDACKH-DGCLKSJQSA-N 2 2 237.347 2.095 20 0 BEADLP Cc1cccc(OC[C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894199837 583336711 /nfs/dbraw/zinc/33/67/11/583336711.db2.gz REPIZJXVBNQPPK-GFCCVEGCSA-N 2 2 245.326 2.275 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000877742849 583345880 /nfs/dbraw/zinc/34/58/80/583345880.db2.gz GPRNTXQQNMSXQR-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000877742849 583345884 /nfs/dbraw/zinc/34/58/84/583345884.db2.gz GPRNTXQQNMSXQR-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000877742849 583345886 /nfs/dbraw/zinc/34/58/86/583345886.db2.gz GPRNTXQQNMSXQR-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000877742849 583345888 /nfs/dbraw/zinc/34/58/88/583345888.db2.gz GPRNTXQQNMSXQR-STQMWFEESA-N 2 2 236.384 2.274 20 0 BEADLP Fc1ccc(OCCC[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894209808 583368271 /nfs/dbraw/zinc/36/82/71/583368271.db2.gz XYJGPTMJNBVDCO-UHFFFAOYSA-N 2 2 249.289 2.108 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2[C@@H]3c4ccccc4C[C@@H]32)c[nH+]1 ZINC000894337962 583427293 /nfs/dbraw/zinc/42/72/93/583427293.db2.gz YTXJWHZAFRBXFP-QLFBSQMISA-N 2 2 239.322 2.085 20 0 BEADLP c1[nH]c(C[NH2+]CCC2Cc3ccccc3C2)c[nH+]1 ZINC000894366956 583438542 /nfs/dbraw/zinc/43/85/42/583438542.db2.gz PKHYHWZRNBNMAJ-UHFFFAOYSA-N 2 2 241.338 2.304 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC3=CCCC3)CC[C@H]21 ZINC000879579923 583440254 /nfs/dbraw/zinc/44/02/54/583440254.db2.gz QICCVPLTFHJIMB-ZIAGYGMSSA-N 2 2 220.360 2.123 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](CC3=CCCC3)CC[C@H]21 ZINC000879579923 583440255 /nfs/dbraw/zinc/44/02/55/583440255.db2.gz QICCVPLTFHJIMB-ZIAGYGMSSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](CC3=CCCC3)CC[C@H]21 ZINC000879579923 583440258 /nfs/dbraw/zinc/44/02/58/583440258.db2.gz QICCVPLTFHJIMB-ZIAGYGMSSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC3=CCCC3)CC[C@H]21 ZINC000879579923 583440261 /nfs/dbraw/zinc/44/02/61/583440261.db2.gz QICCVPLTFHJIMB-ZIAGYGMSSA-N 2 2 220.360 2.123 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000894421566 583454905 /nfs/dbraw/zinc/45/49/05/583454905.db2.gz WRVGRDNPUQKSOC-PWSUYJOCSA-N 2 2 237.322 2.152 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000894421566 583454906 /nfs/dbraw/zinc/45/49/06/583454906.db2.gz WRVGRDNPUQKSOC-PWSUYJOCSA-N 2 2 237.322 2.152 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)o1 ZINC000894469708 583469144 /nfs/dbraw/zinc/46/91/44/583469144.db2.gz AZAPGAMXPBHMEU-UHFFFAOYSA-N 2 2 240.347 2.062 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)o1 ZINC000894469708 583469146 /nfs/dbraw/zinc/46/91/46/583469146.db2.gz AZAPGAMXPBHMEU-UHFFFAOYSA-N 2 2 240.347 2.062 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCC1 ZINC000880140664 583473039 /nfs/dbraw/zinc/47/30/39/583473039.db2.gz COALAXMJUCKGCN-ZIAGYGMSSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1=CCCC1 ZINC000880140664 583473042 /nfs/dbraw/zinc/47/30/42/583473042.db2.gz COALAXMJUCKGCN-ZIAGYGMSSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1=CCCC1 ZINC000880140664 583473043 /nfs/dbraw/zinc/47/30/43/583473043.db2.gz COALAXMJUCKGCN-ZIAGYGMSSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1=CCCC1 ZINC000880140664 583473045 /nfs/dbraw/zinc/47/30/45/583473045.db2.gz COALAXMJUCKGCN-ZIAGYGMSSA-N 2 2 220.360 2.265 20 0 BEADLP Cc1ncoc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748934 583515077 /nfs/dbraw/zinc/51/50/77/583515077.db2.gz USIKISOMZASDEE-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1ncoc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748934 583515079 /nfs/dbraw/zinc/51/50/79/583515079.db2.gz USIKISOMZASDEE-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1ncoc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748934 583515081 /nfs/dbraw/zinc/51/50/81/583515081.db2.gz USIKISOMZASDEE-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1ncoc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748934 583515083 /nfs/dbraw/zinc/51/50/83/583515083.db2.gz USIKISOMZASDEE-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)cn1 ZINC000894764033 583518692 /nfs/dbraw/zinc/51/86/92/583518692.db2.gz QYXYMLGTPFIBSO-UHFFFAOYSA-N 2 2 241.766 2.119 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000894764033 583518693 /nfs/dbraw/zinc/51/86/93/583518693.db2.gz QYXYMLGTPFIBSO-UHFFFAOYSA-N 2 2 241.766 2.119 20 0 BEADLP C[C@]1(CC[NH2+]Cc2c[nH+]c[nH]2)CC1(Cl)Cl ZINC000894909801 583554999 /nfs/dbraw/zinc/55/49/99/583554999.db2.gz QRUYVZRPHLPLQV-VIFPVBQESA-N 2 2 248.157 2.473 20 0 BEADLP C[C@H](CC[NH2+]Cc1ccc2c(n1)CCC2)[NH+](C)C ZINC000895293114 583638966 /nfs/dbraw/zinc/63/89/66/583638966.db2.gz USYOAAAURCOPCX-GFCCVEGCSA-N 2 2 247.386 2.000 20 0 BEADLP Cc1coc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000895460529 583677856 /nfs/dbraw/zinc/67/78/56/583677856.db2.gz HUNAJQJQUKTNDQ-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000895460529 583677857 /nfs/dbraw/zinc/67/78/57/583677857.db2.gz HUNAJQJQUKTNDQ-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000895460529 583677859 /nfs/dbraw/zinc/67/78/59/583677859.db2.gz HUNAJQJQUKTNDQ-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000895460529 583677861 /nfs/dbraw/zinc/67/78/61/583677861.db2.gz HUNAJQJQUKTNDQ-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP CO[C@H]1C[C@H](C[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000895539884 583687522 /nfs/dbraw/zinc/68/75/22/583687522.db2.gz KLMSQDAXQSMLDC-SHTZXODSSA-N 2 2 248.370 2.337 20 0 BEADLP CCN1CC[C@@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000895667519 583705811 /nfs/dbraw/zinc/70/58/11/583705811.db2.gz AMXOFXUWZYRXAH-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP Cn1cccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895671405 583706200 /nfs/dbraw/zinc/70/62/00/583706200.db2.gz NYVFBYFSXGCVAO-UHFFFAOYSA-N 2 2 247.386 2.085 20 0 BEADLP CCc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(CC)[nH+]1 ZINC000895734391 583717454 /nfs/dbraw/zinc/71/74/54/583717454.db2.gz LSONOUXOLLJVJJ-CMPLNLGQSA-N 2 2 248.374 2.106 20 0 BEADLP C[C@H]1[C@H](Nc2cc[nH+]c3ccsc32)CC[N@@H+]1C ZINC000895738479 583719096 /nfs/dbraw/zinc/71/90/96/583719096.db2.gz WOZBNMYDNOAYEA-VHSXEESVSA-N 2 2 247.367 2.223 20 0 BEADLP C[C@H]1[C@H](Nc2cc[nH+]c3ccsc32)CC[N@H+]1C ZINC000895738479 583719097 /nfs/dbraw/zinc/71/90/97/583719097.db2.gz WOZBNMYDNOAYEA-VHSXEESVSA-N 2 2 247.367 2.223 20 0 BEADLP C[C@@]1(C[NH2+]Cc2c[nH+]c[nH]2)CCOC2(CCC2)C1 ZINC000895820437 583734224 /nfs/dbraw/zinc/73/42/24/583734224.db2.gz FTOLOKMLQSMQKH-CYBMUJFWSA-N 2 2 249.358 2.239 20 0 BEADLP CC[N@H+](CC[NH3+])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883437002 583810344 /nfs/dbraw/zinc/81/03/44/583810344.db2.gz HGAUTISPFLDPKS-HUUCEWRRSA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@@H+](CC[NH3+])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883437002 583810345 /nfs/dbraw/zinc/81/03/45/583810345.db2.gz HGAUTISPFLDPKS-HUUCEWRRSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000896555601 583811841 /nfs/dbraw/zinc/81/18/41/583811841.db2.gz PGJPIEQZJSNZCZ-TUUVXOQKSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000896555601 583811842 /nfs/dbraw/zinc/81/18/42/583811842.db2.gz PGJPIEQZJSNZCZ-TUUVXOQKSA-N 2 2 244.382 2.472 20 0 BEADLP Cc1cncc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281516597 583848531 /nfs/dbraw/zinc/84/85/31/583848531.db2.gz ZCEASQBCVLZUBL-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1cncc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281516597 583848533 /nfs/dbraw/zinc/84/85/33/583848533.db2.gz ZCEASQBCVLZUBL-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000840721725 583920727 /nfs/dbraw/zinc/92/07/27/583920727.db2.gz WFBVPVUEXIQMLW-STQMWFEESA-N 2 2 248.370 2.358 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000840721725 583920729 /nfs/dbraw/zinc/92/07/29/583920729.db2.gz WFBVPVUEXIQMLW-STQMWFEESA-N 2 2 248.370 2.358 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000840721721 583920879 /nfs/dbraw/zinc/92/08/79/583920879.db2.gz WFBVPVUEXIQMLW-OLZOCXBDSA-N 2 2 248.370 2.358 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000840721721 583920881 /nfs/dbraw/zinc/92/08/81/583920881.db2.gz WFBVPVUEXIQMLW-OLZOCXBDSA-N 2 2 248.370 2.358 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C ZINC000840725405 583934132 /nfs/dbraw/zinc/93/41/32/583934132.db2.gz AFLXCSBUCLNGSD-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C ZINC000840725405 583934134 /nfs/dbraw/zinc/93/41/34/583934134.db2.gz AFLXCSBUCLNGSD-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000863652595 583994847 /nfs/dbraw/zinc/99/48/47/583994847.db2.gz UWTXQZCPHRAGCZ-XOULXFPDSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000863652595 583994849 /nfs/dbraw/zinc/99/48/49/583994849.db2.gz UWTXQZCPHRAGCZ-XOULXFPDSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1CCCCO1 ZINC000858367598 588948816 /nfs/dbraw/zinc/94/88/16/588948816.db2.gz SJCSPVAYVBBSDO-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1CCCCO1 ZINC000858367598 588948818 /nfs/dbraw/zinc/94/88/18/588948818.db2.gz SJCSPVAYVBBSDO-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP c1[nH]c(C[NH2+][C@@H]2CCCc3ccccc3C2)c[nH+]1 ZINC000897708970 584042386 /nfs/dbraw/zinc/04/23/86/584042386.db2.gz GVHKJAFUWRQFEJ-CQSZACIVSA-N 2 2 241.338 2.447 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)n1C ZINC000897960212 584067930 /nfs/dbraw/zinc/06/79/30/584067930.db2.gz ZSSNUZSNEFMHPX-RAIGVLPGSA-N 2 2 219.332 2.007 20 0 BEADLP c1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)co1 ZINC000897982184 584072356 /nfs/dbraw/zinc/07/23/56/584072356.db2.gz XEQFRAAWGSCVDS-UHFFFAOYSA-N 2 2 234.343 2.386 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@H]1CC1(F)F ZINC000898033812 584078171 /nfs/dbraw/zinc/07/81/71/584078171.db2.gz DAHIMERWAJJDSD-GHMZBOCLSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@H]1CC1(F)F ZINC000898033812 584078173 /nfs/dbraw/zinc/07/81/73/584078173.db2.gz DAHIMERWAJJDSD-GHMZBOCLSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034119 584078231 /nfs/dbraw/zinc/07/82/31/584078231.db2.gz IMBYVRMYFFEPPD-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034119 584078232 /nfs/dbraw/zinc/07/82/32/584078232.db2.gz IMBYVRMYFFEPPD-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034801 584078965 /nfs/dbraw/zinc/07/89/65/584078965.db2.gz XEPROLONLJMSJM-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034801 584078966 /nfs/dbraw/zinc/07/89/66/584078966.db2.gz XEPROLONLJMSJM-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1nocc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308133 584109508 /nfs/dbraw/zinc/10/95/08/584109508.db2.gz PEBQLZFSEXNRIV-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP Cc1nocc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308133 584109510 /nfs/dbraw/zinc/10/95/10/584109510.db2.gz PEBQLZFSEXNRIV-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP Cc1ncc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)o1 ZINC000898307433 584109921 /nfs/dbraw/zinc/10/99/21/584109921.db2.gz XGOFTYLHVKVIMR-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP Cc1ncc(C[N@H+](C)CC(C)(C)C[NH+](C)C)o1 ZINC000898307433 584109922 /nfs/dbraw/zinc/10/99/22/584109922.db2.gz XGOFTYLHVKVIMR-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccncc1 ZINC000898309125 584110499 /nfs/dbraw/zinc/11/04/99/584110499.db2.gz KANXPWABBOSLDX-UHFFFAOYSA-N 2 2 235.375 2.101 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccncc1 ZINC000898309125 584110500 /nfs/dbraw/zinc/11/05/00/584110500.db2.gz KANXPWABBOSLDX-UHFFFAOYSA-N 2 2 235.375 2.101 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841059931 584126107 /nfs/dbraw/zinc/12/61/07/584126107.db2.gz MXCZUJXNQHTNKA-MRVPVSSYSA-N 2 2 246.326 2.438 20 0 BEADLP C[NH2+]C1(CNc2cc(C)[nH+]cn2)CCCCC1 ZINC000872629220 584126503 /nfs/dbraw/zinc/12/65/03/584126503.db2.gz ALEKJXDVZQUXLI-UHFFFAOYSA-N 2 2 234.347 2.119 20 0 BEADLP Cc1cccn2c(C[NH2+]C/C=C\Cl)c[nH+]c12 ZINC000898435659 584136010 /nfs/dbraw/zinc/13/60/10/584136010.db2.gz LIUHXJKCHQPVNN-HYXAFXHYSA-N 2 2 235.718 2.485 20 0 BEADLP Cc1cc(N[C@@H]2C[NH2+]CC2(C)C)nc(C2CC2)[nH+]1 ZINC000900021326 584267465 /nfs/dbraw/zinc/26/74/65/584267465.db2.gz IMDMOHOFODOQLP-LLVKDONJSA-N 2 2 246.358 2.072 20 0 BEADLP CCn1c[nH+]c(CNc2[nH+]cccc2C)c1 ZINC000902076203 584520147 /nfs/dbraw/zinc/52/01/47/584520147.db2.gz JDTYLSUYCDFBKJ-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000902412492 584576457 /nfs/dbraw/zinc/57/64/57/584576457.db2.gz BDCKHLCCKYSDCI-LBPRGKRZSA-N 2 2 238.281 2.033 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1Cl ZINC000902416615 584590643 /nfs/dbraw/zinc/59/06/43/584590643.db2.gz VDQIFSMOVMBCEE-SECBINFHSA-N 2 2 224.735 2.482 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000902433359 584596080 /nfs/dbraw/zinc/59/60/80/584596080.db2.gz JNEIRUIRVFULLL-ARLBYUKCSA-N 2 2 242.366 2.389 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437017 584596373 /nfs/dbraw/zinc/59/63/73/584596373.db2.gz GIYKCSDOFKQCAO-NILFDRSVSA-N 2 2 248.370 2.016 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902442065 584597950 /nfs/dbraw/zinc/59/79/50/584597950.db2.gz HYTXUCYEXJJAIV-YPMHNXCESA-N 2 2 233.359 2.039 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473255 584601846 /nfs/dbraw/zinc/60/18/46/584601846.db2.gz WFVMVDQTUJHYJE-DMRZNYOFSA-N 2 2 242.366 2.465 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)n1 ZINC000902477998 584603710 /nfs/dbraw/zinc/60/37/10/584603710.db2.gz WAUHCYRNZFMATD-MYZSUADSSA-N 2 2 245.370 2.242 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902447100 584604090 /nfs/dbraw/zinc/60/40/90/584604090.db2.gz RSPDWTRVJXWORM-SMDDNHRTSA-N 2 2 248.370 2.344 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902447097 584604249 /nfs/dbraw/zinc/60/42/49/584604249.db2.gz RSPDWTRVJXWORM-BXUZGUMPSA-N 2 2 248.370 2.344 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902447098 584604288 /nfs/dbraw/zinc/60/42/88/584604288.db2.gz RSPDWTRVJXWORM-FZMZJTMJSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902447393 584604571 /nfs/dbraw/zinc/60/45/71/584604571.db2.gz UHIBQLILBZHEJV-MWLCHTKSSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902448037 584604736 /nfs/dbraw/zinc/60/47/36/584604736.db2.gz XDPOIXZQJAXBQQ-KOLCDFICSA-N 2 2 224.373 2.397 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccncc1 ZINC000902458939 584610923 /nfs/dbraw/zinc/61/09/23/584610923.db2.gz AELAFRVWAYTADB-IGQOVBAYSA-N 2 2 231.343 2.015 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902466553 584614049 /nfs/dbraw/zinc/61/40/49/584614049.db2.gz LXCIKJLXADWYFX-ARLBYUKCSA-N 2 2 242.366 2.465 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902469269 584615890 /nfs/dbraw/zinc/61/58/90/584615890.db2.gz VKMDYFUISRLXML-DZGBDDFRSA-N 2 2 246.354 2.239 20 0 BEADLP C[C@@H]1C[C@@H](NC[C@@H]2CCCCC[NH2+]2)c2[nH+]ccn21 ZINC000902481613 584624278 /nfs/dbraw/zinc/62/42/78/584624278.db2.gz FQENPEVDZAYUQO-FRRDWIJNSA-N 2 2 248.374 2.011 20 0 BEADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C/C=C/Cl ZINC000902522866 584632297 /nfs/dbraw/zinc/63/22/97/584632297.db2.gz YXJIZJCLMWNOBL-OBGXAZDVSA-N 2 2 238.762 2.287 20 0 BEADLP Cn1c[nH+]c(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC000902680968 584654780 /nfs/dbraw/zinc/65/47/80/584654780.db2.gz CTNMKWUJQBIRQS-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902723050 584660434 /nfs/dbraw/zinc/66/04/34/584660434.db2.gz KVQNDFVJBIUJHW-BTTYYORXSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902829661 584677218 /nfs/dbraw/zinc/67/72/18/584677218.db2.gz DFPJUFORMWOAAJ-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000902829661 584677219 /nfs/dbraw/zinc/67/72/19/584677219.db2.gz DFPJUFORMWOAAJ-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1C[C@H]3CCC[C@@H]3C1)CC2 ZINC000902961904 584706845 /nfs/dbraw/zinc/70/68/45/584706845.db2.gz ATCUGEKYAORICW-JHJVBQTASA-N 2 2 245.370 2.366 20 0 BEADLP F[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](F)C2)C1 ZINC000902994279 584711331 /nfs/dbraw/zinc/71/13/31/584711331.db2.gz BFRFDIYRUUZTKT-STQMWFEESA-N 2 2 246.345 2.244 20 0 BEADLP F[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](F)C2)C1 ZINC000902994279 584711332 /nfs/dbraw/zinc/71/13/32/584711332.db2.gz BFRFDIYRUUZTKT-STQMWFEESA-N 2 2 246.345 2.244 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903200702 584735453 /nfs/dbraw/zinc/73/54/53/584735453.db2.gz BNVHRYKXDPVRRE-FZMZJTMJSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(N(C)C)cc[nH+]2)C1 ZINC000903201249 584735646 /nfs/dbraw/zinc/73/56/46/584735646.db2.gz GYSIDSLMRWDWRG-VXGBXAGGSA-N 2 2 233.359 2.426 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300333 584743795 /nfs/dbraw/zinc/74/37/95/584743795.db2.gz GXRMNDPOMAWMDR-RFGFWPKPSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300333 584743796 /nfs/dbraw/zinc/74/37/96/584743796.db2.gz GXRMNDPOMAWMDR-RFGFWPKPSA-N 2 2 224.392 2.493 20 0 BEADLP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC000903299762 584743870 /nfs/dbraw/zinc/74/38/70/584743870.db2.gz DLPLEXZITPZUIK-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC000903299762 584743871 /nfs/dbraw/zinc/74/38/71/584743871.db2.gz DLPLEXZITPZUIK-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300546 584744116 /nfs/dbraw/zinc/74/41/16/584744116.db2.gz HUXACVBSVJZPRM-SCRDCRAPSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300546 584744117 /nfs/dbraw/zinc/74/41/17/584744117.db2.gz HUXACVBSVJZPRM-SCRDCRAPSA-N 2 2 233.359 2.133 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000903300970 584744499 /nfs/dbraw/zinc/74/44/99/584744499.db2.gz LVIBIKGKRYEQNW-YWPUVAFDSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000903300970 584744500 /nfs/dbraw/zinc/74/45/00/584744500.db2.gz LVIBIKGKRYEQNW-YWPUVAFDSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)C1CCSCC1 ZINC000903301108 584744602 /nfs/dbraw/zinc/74/46/02/584744602.db2.gz OBSQHXVZCTYSQG-GMXVVIOVSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)C1CCSCC1 ZINC000903301108 584744603 /nfs/dbraw/zinc/74/46/03/584744603.db2.gz OBSQHXVZCTYSQG-GMXVVIOVSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@@H+]1C ZINC000903301261 584744793 /nfs/dbraw/zinc/74/47/93/584744793.db2.gz PDGQLJPXBRGDAM-WNYYMSAVSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@H+]1C ZINC000903301261 584744794 /nfs/dbraw/zinc/74/47/94/584744794.db2.gz PDGQLJPXBRGDAM-WNYYMSAVSA-N 2 2 246.345 2.493 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903302296 584744916 /nfs/dbraw/zinc/74/49/16/584744916.db2.gz YQKBOCKAMAHYLZ-WOPDTQHZSA-N 2 2 212.381 2.493 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903302296 584744917 /nfs/dbraw/zinc/74/49/17/584744917.db2.gz YQKBOCKAMAHYLZ-WOPDTQHZSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301814 584745088 /nfs/dbraw/zinc/74/50/88/584745088.db2.gz UODPHURYVZSMGF-XASJZRDYSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301814 584745089 /nfs/dbraw/zinc/74/50/89/584745089.db2.gz UODPHURYVZSMGF-XASJZRDYSA-N 2 2 222.376 2.103 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)c1ccncc1 ZINC000903302319 584745478 /nfs/dbraw/zinc/74/54/78/584745478.db2.gz ZAUGONOBPHBQMY-KWCYVHTRSA-N 2 2 233.359 2.215 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccncc1 ZINC000903302319 584745479 /nfs/dbraw/zinc/74/54/79/584745479.db2.gz ZAUGONOBPHBQMY-KWCYVHTRSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000903426712 584760989 /nfs/dbraw/zinc/76/09/89/584760989.db2.gz LLVKYPRBDPSSLV-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000903426712 584760990 /nfs/dbraw/zinc/76/09/90/584760990.db2.gz LLVKYPRBDPSSLV-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903464064 584767619 /nfs/dbraw/zinc/76/76/19/584767619.db2.gz YFQVVWXOCLYRJA-OAHLLOKOSA-N 2 2 230.355 2.105 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903464064 584767621 /nfs/dbraw/zinc/76/76/21/584767621.db2.gz YFQVVWXOCLYRJA-OAHLLOKOSA-N 2 2 230.355 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)n1 ZINC000903470723 584774888 /nfs/dbraw/zinc/77/48/88/584774888.db2.gz CEEONGYXYPUOIN-CQSZACIVSA-N 2 2 245.370 2.073 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477077 584777520 /nfs/dbraw/zinc/77/75/20/584777520.db2.gz SSNPHEAWEONABD-GXFFZTMASA-N 2 2 229.327 2.089 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477077 584777522 /nfs/dbraw/zinc/77/75/22/584777522.db2.gz SSNPHEAWEONABD-GXFFZTMASA-N 2 2 229.327 2.089 20 0 BEADLP Nc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483481 584779602 /nfs/dbraw/zinc/77/96/02/584779602.db2.gz HSZBPOHWGMSKFS-CQSZACIVSA-N 2 2 245.370 2.033 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000903545547 584781834 /nfs/dbraw/zinc/78/18/34/584781834.db2.gz UEJVAOVQEDJOHQ-MELADBBJSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000903545547 584781835 /nfs/dbraw/zinc/78/18/35/584781835.db2.gz UEJVAOVQEDJOHQ-MELADBBJSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(C)n1 ZINC000903560114 584782555 /nfs/dbraw/zinc/78/25/55/584782555.db2.gz TTWAUMJVLCADIY-CQSZACIVSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(C)n1 ZINC000903560114 584782556 /nfs/dbraw/zinc/78/25/56/584782556.db2.gz TTWAUMJVLCADIY-CQSZACIVSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)c(CN2C[C@@H]([NH3+])C(C)(C)C2)c(C)[nH+]1 ZINC000903560114 584782557 /nfs/dbraw/zinc/78/25/57/584782557.db2.gz TTWAUMJVLCADIY-CQSZACIVSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000903752643 584795781 /nfs/dbraw/zinc/79/57/81/584795781.db2.gz OXARHTBHVZDZAL-CYBMUJFWSA-N 2 2 235.375 2.161 20 0 BEADLP Cc1cc(C)nc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000903761296 584797380 /nfs/dbraw/zinc/79/73/80/584797380.db2.gz PEXOQKPFLATXMV-UHFFFAOYSA-N 2 2 245.370 2.026 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000903761296 584797381 /nfs/dbraw/zinc/79/73/81/584797381.db2.gz PEXOQKPFLATXMV-UHFFFAOYSA-N 2 2 245.370 2.026 20 0 BEADLP FCc1ccccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903760652 584797568 /nfs/dbraw/zinc/79/75/68/584797568.db2.gz IGKJMNUTMXFGER-OAHLLOKOSA-N 2 2 248.345 2.484 20 0 BEADLP FCc1ccccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903760652 584797570 /nfs/dbraw/zinc/79/75/70/584797570.db2.gz IGKJMNUTMXFGER-OAHLLOKOSA-N 2 2 248.345 2.484 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903780842 584799645 /nfs/dbraw/zinc/79/96/45/584799645.db2.gz MNXNHRXLOJDRBL-HUUCEWRRSA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000903780842 584799646 /nfs/dbraw/zinc/79/96/46/584799646.db2.gz MNXNHRXLOJDRBL-HUUCEWRRSA-N 2 2 248.345 2.482 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000903782136 584800113 /nfs/dbraw/zinc/80/01/13/584800113.db2.gz ZWNPHONXCMZZTQ-HUUCEWRRSA-N 2 2 245.370 2.025 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCCC1CC1 ZINC000903803020 584802482 /nfs/dbraw/zinc/80/24/82/584802482.db2.gz VPXDIFHSUWNSLH-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCCC1CC1 ZINC000903803020 584802483 /nfs/dbraw/zinc/80/24/83/584802483.db2.gz VPXDIFHSUWNSLH-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000903821928 584804050 /nfs/dbraw/zinc/80/40/50/584804050.db2.gz UOXHMXPHGDWEGX-CQSZACIVSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856427 584809421 /nfs/dbraw/zinc/80/94/21/584809421.db2.gz QWYWNCLFZNXYFE-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863363 584813009 /nfs/dbraw/zinc/81/30/09/584813009.db2.gz KVUKDCMRQONQJI-LSDHHAIUSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863363 584813010 /nfs/dbraw/zinc/81/30/10/584813010.db2.gz KVUKDCMRQONQJI-LSDHHAIUSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+](CC1CC1)CC1CCC1 ZINC000903917071 584827247 /nfs/dbraw/zinc/82/72/47/584827247.db2.gz KNAPCBYVCNCOCS-GFCCVEGCSA-N 2 2 246.345 2.481 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+](CC1CC1)CC1CCC1 ZINC000903917071 584827249 /nfs/dbraw/zinc/82/72/49/584827249.db2.gz KNAPCBYVCNCOCS-GFCCVEGCSA-N 2 2 246.345 2.481 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000903960590 584828033 /nfs/dbraw/zinc/82/80/33/584828033.db2.gz QFFZEGNFCAYENU-ZWNOBZJWSA-N 2 2 230.311 2.130 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000903960679 584828644 /nfs/dbraw/zinc/82/86/44/584828644.db2.gz UVNHCJVUDGCQFP-UKRRQHHQSA-N 2 2 232.371 2.309 20 0 BEADLP CC(C)([NH3+])C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000903948193 584830105 /nfs/dbraw/zinc/83/01/05/584830105.db2.gz MXERBSAPBBCSAI-QWHCGFSZSA-N 2 2 236.334 2.339 20 0 BEADLP Cc1cc(NC[C@@H]2CC[NH2+][C@@H](C)C2)c[nH+]c1C ZINC000903948005 584830192 /nfs/dbraw/zinc/83/01/92/584830192.db2.gz KMIRMRPJUSWNJT-WCQYABFASA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cc(NC[C@]2(C)CC[NH2+]C2)c[nH+]c1C ZINC000903948936 584830322 /nfs/dbraw/zinc/83/03/22/584830322.db2.gz WCKMMHRKTPHGIV-CYBMUJFWSA-N 2 2 219.332 2.110 20 0 BEADLP CCC[C@@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951262 584830608 /nfs/dbraw/zinc/83/06/08/584830608.db2.gz VHWCMQATZDGFDQ-LLVKDONJSA-N 2 2 207.321 2.332 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950874 584830642 /nfs/dbraw/zinc/83/06/42/584830642.db2.gz SMYQPQQHZALVQQ-PWSUYJOCSA-N 2 2 219.332 2.332 20 0 BEADLP CC1(C)CC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950846 584830798 /nfs/dbraw/zinc/83/07/98/584830798.db2.gz RUMPMWRGMDHSIL-LLVKDONJSA-N 2 2 219.332 2.332 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)/C=C\Cl ZINC000903988408 584836008 /nfs/dbraw/zinc/83/60/08/584836008.db2.gz QOWNKLUPWKGOEO-SREVYHEPSA-N 2 2 218.772 2.495 20 0 BEADLP C[Si](C)(CCn1cc[nH+]c1)CCn1cc[nH+]c1 ZINC000859167972 589013063 /nfs/dbraw/zinc/01/30/63/589013063.db2.gz HABRRRZROQJYOX-UHFFFAOYSA-N 2 2 248.406 2.488 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCSCC1 ZINC000904307623 584862672 /nfs/dbraw/zinc/86/26/72/584862672.db2.gz SQQURTHKGQVQGX-NSHDSACASA-N 2 2 230.421 2.189 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354821 584870656 /nfs/dbraw/zinc/87/06/56/584870656.db2.gz HDIHNFBVTIBSCT-ZETCQYMHSA-N 2 2 232.249 2.200 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354820 584870732 /nfs/dbraw/zinc/87/07/32/584870732.db2.gz HDIHNFBVTIBSCT-SSDOTTSWSA-N 2 2 232.249 2.200 20 0 BEADLP C[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388882 584874678 /nfs/dbraw/zinc/87/46/78/584874678.db2.gz PYHLCNUGHDPDNF-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388882 584874680 /nfs/dbraw/zinc/87/46/80/584874680.db2.gz PYHLCNUGHDPDNF-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP Cc1ccc(NC[C@]2(C)CCC[NH2+]C2)c[nH+]1 ZINC000904365892 584874967 /nfs/dbraw/zinc/87/49/67/584874967.db2.gz BCRTVIBQSQELLY-CYBMUJFWSA-N 2 2 219.332 2.192 20 0 BEADLP Cc1cc([NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1N ZINC000904378664 584875916 /nfs/dbraw/zinc/87/59/16/584875916.db2.gz HAVOIRQPBVMBAT-CQSZACIVSA-N 2 2 233.359 2.379 20 0 BEADLP c1cn(-c2cc(C[NH2+]C3CCCC3)ccn2)c[nH+]1 ZINC000731451276 584926347 /nfs/dbraw/zinc/92/63/47/584926347.db2.gz JERMQWHEVSAMGH-UHFFFAOYSA-N 2 2 242.326 2.300 20 0 BEADLP CCCc1[nH+]ccn1CCn1cc[nH+]c1C ZINC000070424270 585152268 /nfs/dbraw/zinc/15/22/68/585152268.db2.gz OBVSYDGBPFFJIL-UHFFFAOYSA-N 2 2 218.304 2.041 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000756127643 585314864 /nfs/dbraw/zinc/31/48/64/585314864.db2.gz KTHZKLCRGMPQMR-OAHLLOKOSA-N 2 2 232.371 2.140 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000756127643 585314865 /nfs/dbraw/zinc/31/48/65/585314865.db2.gz KTHZKLCRGMPQMR-OAHLLOKOSA-N 2 2 232.371 2.140 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000756123574 585315059 /nfs/dbraw/zinc/31/50/59/585315059.db2.gz YMTGWUUUCIQUBV-KGLIPLIRSA-N 2 2 230.355 2.010 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCc3ccccc32)C1 ZINC000756123574 585315060 /nfs/dbraw/zinc/31/50/60/585315060.db2.gz YMTGWUUUCIQUBV-KGLIPLIRSA-N 2 2 230.355 2.010 20 0 BEADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCF ZINC000759783482 585380220 /nfs/dbraw/zinc/38/02/20/585380220.db2.gz UGPYCEWQWYHFIP-UHFFFAOYSA-N 2 2 227.327 2.127 20 0 BEADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCF ZINC000759783482 585380221 /nfs/dbraw/zinc/38/02/21/585380221.db2.gz UGPYCEWQWYHFIP-UHFFFAOYSA-N 2 2 227.327 2.127 20 0 BEADLP C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000760842843 585399233 /nfs/dbraw/zinc/39/92/33/585399233.db2.gz CEAXWRYHYXYFSV-UONOGXRCSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000760842843 585399234 /nfs/dbraw/zinc/39/92/34/585399234.db2.gz CEAXWRYHYXYFSV-UONOGXRCSA-N 2 2 222.376 2.347 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000765456054 585486903 /nfs/dbraw/zinc/48/69/03/585486903.db2.gz NGYZTSRVNPQYBI-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000765456054 585486904 /nfs/dbraw/zinc/48/69/04/585486904.db2.gz NGYZTSRVNPQYBI-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000765456057 585487001 /nfs/dbraw/zinc/48/70/01/585487001.db2.gz NGYZTSRVNPQYBI-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000765456057 585487002 /nfs/dbraw/zinc/48/70/02/585487002.db2.gz NGYZTSRVNPQYBI-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)C[N@@H+]1C1CC1 ZINC000768708254 585542090 /nfs/dbraw/zinc/54/20/90/585542090.db2.gz WJGQTWDFCOFGOJ-IDWGSYCQSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)C[N@H+]1C1CC1 ZINC000768708254 585542091 /nfs/dbraw/zinc/54/20/91/585542091.db2.gz WJGQTWDFCOFGOJ-IDWGSYCQSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)C[N@@H+]1C1CC1 ZINC000768708252 585542239 /nfs/dbraw/zinc/54/22/39/585542239.db2.gz WJGQTWDFCOFGOJ-AGVGLQIMSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C(F)F)C2)C[N@H+]1C1CC1 ZINC000768708252 585542240 /nfs/dbraw/zinc/54/22/40/585542240.db2.gz WJGQTWDFCOFGOJ-AGVGLQIMSA-N 2 2 244.329 2.245 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)c[nH+]1 ZINC000769314198 585553573 /nfs/dbraw/zinc/55/35/73/585553573.db2.gz WFHLUBUHARHPPP-CYBMUJFWSA-N 2 2 231.299 2.313 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](Cc3ccoc3)C2)c[nH+]1 ZINC000769314198 585553574 /nfs/dbraw/zinc/55/35/74/585553574.db2.gz WFHLUBUHARHPPP-CYBMUJFWSA-N 2 2 231.299 2.313 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000770025162 585569759 /nfs/dbraw/zinc/56/97/59/585569759.db2.gz FGBUONIYSRQSAQ-USEMIUTHSA-N 2 2 239.750 2.352 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000770025162 585569760 /nfs/dbraw/zinc/56/97/60/585569760.db2.gz FGBUONIYSRQSAQ-USEMIUTHSA-N 2 2 239.750 2.352 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875091 585668039 /nfs/dbraw/zinc/66/80/39/585668039.db2.gz HEIQWUWADLAUEP-KGLIPLIRSA-N 2 2 247.342 2.213 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875091 585668040 /nfs/dbraw/zinc/66/80/40/585668040.db2.gz HEIQWUWADLAUEP-KGLIPLIRSA-N 2 2 247.342 2.213 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000775205981 585673335 /nfs/dbraw/zinc/67/33/35/585673335.db2.gz RPUHCZJMALLDSF-CYBMUJFWSA-N 2 2 245.326 2.393 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000775205981 585673336 /nfs/dbraw/zinc/67/33/36/585673336.db2.gz RPUHCZJMALLDSF-CYBMUJFWSA-N 2 2 245.326 2.393 20 0 BEADLP CC1(C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000775700141 585683160 /nfs/dbraw/zinc/68/31/60/585683160.db2.gz GGNRQKJDUSZQGL-UHFFFAOYSA-N 2 2 215.300 2.319 20 0 BEADLP CC1(C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000775700141 585683161 /nfs/dbraw/zinc/68/31/61/585683161.db2.gz GGNRQKJDUSZQGL-UHFFFAOYSA-N 2 2 215.300 2.319 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)C3CC3)CC2)c1 ZINC000777840380 585720921 /nfs/dbraw/zinc/72/09/21/585720921.db2.gz QPEGYJADHHPAGX-ZDUSSCGKSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](C1CC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000777841424 585721332 /nfs/dbraw/zinc/72/13/32/585721332.db2.gz MJNAQGXRSIYUMK-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](C1CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000777841424 585721333 /nfs/dbraw/zinc/72/13/33/585721333.db2.gz MJNAQGXRSIYUMK-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccoc1 ZINC000777921399 585724043 /nfs/dbraw/zinc/72/40/43/585724043.db2.gz ZQFLCLFCBZWGRS-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccoc1 ZINC000777921399 585724044 /nfs/dbraw/zinc/72/40/44/585724044.db2.gz ZQFLCLFCBZWGRS-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccoc1 ZINC000777921399 585724045 /nfs/dbraw/zinc/72/40/45/585724045.db2.gz ZQFLCLFCBZWGRS-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccoc1 ZINC000777921399 585724046 /nfs/dbraw/zinc/72/40/46/585724046.db2.gz ZQFLCLFCBZWGRS-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP c1cncc([C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)c1 ZINC000782531598 585819431 /nfs/dbraw/zinc/81/94/31/585819431.db2.gz BQJVUHGACYPGJG-OAHLLOKOSA-N 2 2 245.370 2.218 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000787289156 585905352 /nfs/dbraw/zinc/90/53/52/585905352.db2.gz DXDUSQBJDUSNQY-LBPRGKRZSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000787289156 585905353 /nfs/dbraw/zinc/90/53/53/585905353.db2.gz DXDUSQBJDUSNQY-LBPRGKRZSA-N 2 2 233.359 2.400 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306499 589029438 /nfs/dbraw/zinc/02/94/38/589029438.db2.gz XOTANHPGLWJEHY-UHFFFAOYSA-N 2 2 232.114 2.087 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859306499 589029440 /nfs/dbraw/zinc/02/94/40/589029440.db2.gz XOTANHPGLWJEHY-UHFFFAOYSA-N 2 2 232.114 2.087 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCOC[C@H]1C ZINC000809579972 586508514 /nfs/dbraw/zinc/50/85/14/586508514.db2.gz IVTDVHUTGANGFR-CQSZACIVSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCOC[C@H]1C ZINC000809579972 586508515 /nfs/dbraw/zinc/50/85/15/586508515.db2.gz IVTDVHUTGANGFR-CQSZACIVSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@]1([NH2+]CCCc2c[nH+]ccc2C)CCOC1 ZINC000809653316 586511144 /nfs/dbraw/zinc/51/11/44/586511144.db2.gz XZDCIUVMBWIZNC-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP C[N@H+](Cc1ccoc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809704797 586513918 /nfs/dbraw/zinc/51/39/18/586513918.db2.gz GWEDWMKMUYPNJO-PBWFPOADSA-N 2 2 234.343 2.337 20 0 BEADLP C[N@@H+](Cc1ccoc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809704797 586513920 /nfs/dbraw/zinc/51/39/20/586513920.db2.gz GWEDWMKMUYPNJO-PBWFPOADSA-N 2 2 234.343 2.337 20 0 BEADLP C[NH+](Cc1ccoc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809704797 586513921 /nfs/dbraw/zinc/51/39/21/586513921.db2.gz GWEDWMKMUYPNJO-PBWFPOADSA-N 2 2 234.343 2.337 20 0 BEADLP C[NH+](Cc1ccoc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809704797 586513923 /nfs/dbraw/zinc/51/39/23/586513923.db2.gz GWEDWMKMUYPNJO-PBWFPOADSA-N 2 2 234.343 2.337 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000809715531 586514409 /nfs/dbraw/zinc/51/44/09/586514409.db2.gz JTCSMVZZOJMCCU-KBPBESRZSA-N 2 2 238.375 2.143 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000809715531 586514410 /nfs/dbraw/zinc/51/44/10/586514410.db2.gz JTCSMVZZOJMCCU-KBPBESRZSA-N 2 2 238.375 2.143 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817940087 586845472 /nfs/dbraw/zinc/84/54/72/586845472.db2.gz DQSPNVPPFZMEAE-RISCZKNCSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000817940494 586845661 /nfs/dbraw/zinc/84/56/61/586845661.db2.gz IGHYNLVHRVLZQS-MNOVXSKESA-N 2 2 230.421 2.248 20 0 BEADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000817944722 586845774 /nfs/dbraw/zinc/84/57/74/586845774.db2.gz KIBGZJOCSPALIH-STQMWFEESA-N 2 2 248.370 2.325 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817951641 586848227 /nfs/dbraw/zinc/84/82/27/586848227.db2.gz ILPSSMKDQPTVML-AWEZNQCLSA-N 2 2 218.344 2.181 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817952265 586848252 /nfs/dbraw/zinc/84/82/52/586848252.db2.gz OWIORHHDOZLFBZ-KOLCDFICSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc2c(c1)CCO2 ZINC000817953381 586849173 /nfs/dbraw/zinc/84/91/73/586849173.db2.gz LVGCJYLARMMJRN-NSHDSACASA-N 2 2 246.354 2.024 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)nc1 ZINC000817959383 586852064 /nfs/dbraw/zinc/85/20/64/586852064.db2.gz CNOSLABDJVPXMX-MRVPVSSYSA-N 2 2 227.739 2.123 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1Cl ZINC000817965394 586854371 /nfs/dbraw/zinc/85/43/71/586854371.db2.gz TVCUQHBUBSPPEC-SECBINFHSA-N 2 2 239.750 2.267 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(F)c1 ZINC000817970203 586858140 /nfs/dbraw/zinc/85/81/40/586858140.db2.gz OETNOJDGBXTCJB-JGVFFNPUSA-N 2 2 230.714 2.477 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817973266 586860392 /nfs/dbraw/zinc/86/03/92/586860392.db2.gz RYELXICWHNLTQS-NXEZZACHSA-N 2 2 241.766 2.384 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817977737 586862028 /nfs/dbraw/zinc/86/20/28/586862028.db2.gz NWGKWNAWUMLASK-VGMNWLOBSA-N 2 2 227.739 2.121 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC12CC2 ZINC000822497675 587171906 /nfs/dbraw/zinc/17/19/06/587171906.db2.gz IYRAVNKODNWEIB-ZDUSSCGKSA-N 2 2 216.328 2.465 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CC2(CC2)C1 ZINC000824533749 587274345 /nfs/dbraw/zinc/27/43/45/587274345.db2.gz MOTYYUHVBRMXSA-UHFFFAOYSA-N 2 2 216.328 2.418 20 0 BEADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000832624497 587670822 /nfs/dbraw/zinc/67/08/22/587670822.db2.gz HAQTYCAYWXFRMY-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841018026 587935465 /nfs/dbraw/zinc/93/54/65/587935465.db2.gz ADPOHKSHDPOXKI-ZIAGYGMSSA-N 2 2 247.386 2.244 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841018026 587935466 /nfs/dbraw/zinc/93/54/66/587935466.db2.gz ADPOHKSHDPOXKI-ZIAGYGMSSA-N 2 2 247.386 2.244 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000841037262 587937993 /nfs/dbraw/zinc/93/79/93/587937993.db2.gz VDZJYVYORRVCTP-UHFFFAOYSA-N 2 2 246.326 2.310 20 0 BEADLP COc1ccc([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)cc1N ZINC000841041227 587938332 /nfs/dbraw/zinc/93/83/32/587938332.db2.gz YIXXOOUUYHXQCA-WDEREUQCSA-N 2 2 249.358 2.077 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841039091 587938456 /nfs/dbraw/zinc/93/84/56/587938456.db2.gz ZPEFVPALFIMSOR-NSHDSACASA-N 2 2 241.766 2.198 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000841064277 587941699 /nfs/dbraw/zinc/94/16/99/587941699.db2.gz XVKUNHZTCLLBNG-VIFPVBQESA-N 2 2 249.745 2.325 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cncc2ccccc21 ZINC000841065400 587942029 /nfs/dbraw/zinc/94/20/29/587942029.db2.gz JPTOJAOYOZBQEQ-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc(CCC[NH2+]CCCCCC[NH3+])c[nH+]1 ZINC000843128582 588085148 /nfs/dbraw/zinc/08/51/48/588085148.db2.gz KIJWPHWXNJOYFT-UHFFFAOYSA-N 3 2 249.402 2.431 20 0 BEADLP CC(C)c1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000848755397 588412024 /nfs/dbraw/zinc/41/20/24/588412024.db2.gz OWTYVFPNVIYYCV-TXEJJXNPSA-N 2 2 248.374 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2c(C)cccc2F)n1C ZINC000850161051 588522269 /nfs/dbraw/zinc/52/22/69/588522269.db2.gz WGEMIPBWGKCBKL-UHFFFAOYSA-N 2 2 247.317 2.466 20 0 BEADLP Cc1c[nH]c(CNc2ccc(C)[nH+]c2N(C)C)[nH+]1 ZINC000850223819 588530323 /nfs/dbraw/zinc/53/03/23/588530323.db2.gz LLRARQSOBNORAH-UHFFFAOYSA-N 2 2 245.330 2.100 20 0 BEADLP CCc1ccc(C)[nH+]c1NCc1cn(C)c[nH+]1 ZINC000850355743 588538393 /nfs/dbraw/zinc/53/83/93/588538393.db2.gz LCIXTLNHJQXACY-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000850556139 588559587 /nfs/dbraw/zinc/55/95/87/588559587.db2.gz QYVCWWSWJAWRQA-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000850556139 588559589 /nfs/dbraw/zinc/55/95/89/588559589.db2.gz QYVCWWSWJAWRQA-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000850556141 588559716 /nfs/dbraw/zinc/55/97/16/588559716.db2.gz QYVCWWSWJAWRQA-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000850556141 588559719 /nfs/dbraw/zinc/55/97/19/588559719.db2.gz QYVCWWSWJAWRQA-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC000852108324 588664236 /nfs/dbraw/zinc/66/42/36/588664236.db2.gz BMFFBPWOJCAICB-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC000852108324 588664237 /nfs/dbraw/zinc/66/42/37/588664237.db2.gz BMFFBPWOJCAICB-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC000852108324 588664238 /nfs/dbraw/zinc/66/42/38/588664238.db2.gz BMFFBPWOJCAICB-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC000852108324 588664239 /nfs/dbraw/zinc/66/42/39/588664239.db2.gz BMFFBPWOJCAICB-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC=C(Cl)Cl ZINC000852740323 588698508 /nfs/dbraw/zinc/69/85/08/588698508.db2.gz AVSCTEWLANKBAC-SECBINFHSA-N 2 2 225.163 2.268 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cncc2ccccc21 ZINC000863487340 589293637 /nfs/dbraw/zinc/29/36/37/589293637.db2.gz OBPWAGMOBZPYFX-XHDPSFHLSA-N 2 2 241.338 2.075 20 0 BEADLP COc1c(C)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000863487493 589293679 /nfs/dbraw/zinc/29/36/79/589293679.db2.gz QYSWJLKJGIBNKF-GXTWGEPZSA-N 2 2 248.370 2.152 20 0 BEADLP CSc1ccccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569607 589295845 /nfs/dbraw/zinc/29/58/45/589295845.db2.gz YQPNLMXKRUHDFR-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569607 589295846 /nfs/dbraw/zinc/29/58/46/589295846.db2.gz YQPNLMXKRUHDFR-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP CCC[C@@H](C)CCC[N@H+](C)CC[NH2+]C ZINC000863545436 589297828 /nfs/dbraw/zinc/29/78/28/589297828.db2.gz RXWDVFZDCLUVQN-GFCCVEGCSA-N 2 2 200.370 2.354 20 0 BEADLP CCC[C@@H](C)CCC[N@@H+](C)CC[NH2+]C ZINC000863545436 589297830 /nfs/dbraw/zinc/29/78/30/589297830.db2.gz RXWDVFZDCLUVQN-GFCCVEGCSA-N 2 2 200.370 2.354 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863545870 589297862 /nfs/dbraw/zinc/29/78/62/589297862.db2.gz AGOICZJLMZKMAQ-SLEUVZQESA-N 2 2 248.370 2.486 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863546886 589298396 /nfs/dbraw/zinc/29/83/96/589298396.db2.gz OQAJTFQBUZBMIO-NILFDRSVSA-N 2 2 230.355 2.322 20 0 BEADLP CCc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863568509 589300337 /nfs/dbraw/zinc/30/03/37/589300337.db2.gz NDBYFEZNQYRKAU-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP CCc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863568509 589300338 /nfs/dbraw/zinc/30/03/38/589300338.db2.gz NDBYFEZNQYRKAU-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863643888 589306788 /nfs/dbraw/zinc/30/67/88/589306788.db2.gz AMUBPHQKZIUUCT-BDAKNGLRSA-N 2 2 236.281 2.202 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000863652547 589307752 /nfs/dbraw/zinc/30/77/52/589307752.db2.gz UMSPWXJJFLDCNH-NSHDSACASA-N 2 2 248.370 2.179 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000863652547 589307753 /nfs/dbraw/zinc/30/77/53/589307753.db2.gz UMSPWXJJFLDCNH-NSHDSACASA-N 2 2 248.370 2.179 20 0 BEADLP CC(C)Cc1cc(NCCC[NH+](C)C)nc[nH+]1 ZINC000865401118 589432875 /nfs/dbraw/zinc/43/28/75/589432875.db2.gz IPKYDYKHGLMJNI-UHFFFAOYSA-N 2 2 236.363 2.039 20 0 BEADLP Cc1cccc(N2CC[N@@H+](C)C(C)(C)CC2)[nH+]1 ZINC000866113253 589477310 /nfs/dbraw/zinc/47/73/10/589477310.db2.gz WYMMHBJTDJRTCY-UHFFFAOYSA-N 2 2 233.359 2.311 20 0 BEADLP Cc1cccc(N2CC[N@H+](C)C(C)(C)CC2)[nH+]1 ZINC000866113253 589477311 /nfs/dbraw/zinc/47/73/11/589477311.db2.gz WYMMHBJTDJRTCY-UHFFFAOYSA-N 2 2 233.359 2.311 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000866112923 589477359 /nfs/dbraw/zinc/47/73/59/589477359.db2.gz NZVUCSIMKFPYRC-UHFFFAOYSA-N 2 2 233.359 2.311 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000866112923 589477360 /nfs/dbraw/zinc/47/73/60/589477360.db2.gz NZVUCSIMKFPYRC-UHFFFAOYSA-N 2 2 233.359 2.311 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)c1 ZINC000866259373 589483348 /nfs/dbraw/zinc/48/33/48/589483348.db2.gz LYHNUSYAVRLDJT-KBPBESRZSA-N 2 2 234.387 2.466 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000866259232 589483532 /nfs/dbraw/zinc/48/35/32/589483532.db2.gz KDUGUHHYRXQXMF-HIFRSBDPSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000866259232 589483533 /nfs/dbraw/zinc/48/35/33/589483533.db2.gz KDUGUHHYRXQXMF-HIFRSBDPSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583196 589501302 /nfs/dbraw/zinc/50/13/02/589501302.db2.gz BANPQZMIHQACJO-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866583196 589501305 /nfs/dbraw/zinc/50/13/05/589501305.db2.gz BANPQZMIHQACJO-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866583196 589501307 /nfs/dbraw/zinc/50/13/07/589501307.db2.gz BANPQZMIHQACJO-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866583196 589501308 /nfs/dbraw/zinc/50/13/08/589501308.db2.gz BANPQZMIHQACJO-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585040 589502119 /nfs/dbraw/zinc/50/21/19/589502119.db2.gz MXXQZDYOUISHEZ-NFAWXSAZSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866585040 589502120 /nfs/dbraw/zinc/50/21/20/589502120.db2.gz MXXQZDYOUISHEZ-NFAWXSAZSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585040 589502121 /nfs/dbraw/zinc/50/21/21/589502121.db2.gz MXXQZDYOUISHEZ-NFAWXSAZSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585040 589502123 /nfs/dbraw/zinc/50/21/23/589502123.db2.gz MXXQZDYOUISHEZ-NFAWXSAZSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659309 589508187 /nfs/dbraw/zinc/50/81/87/589508187.db2.gz JSMCCJHEQQTPKO-ZYHUDNBSSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659309 589508188 /nfs/dbraw/zinc/50/81/88/589508188.db2.gz JSMCCJHEQQTPKO-ZYHUDNBSSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1[NH3+] ZINC000866663352 589509000 /nfs/dbraw/zinc/50/90/00/589509000.db2.gz FBDASWDQKYGIOE-GXFFZTMASA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1[NH3+] ZINC000866663352 589509001 /nfs/dbraw/zinc/50/90/01/589509001.db2.gz FBDASWDQKYGIOE-GXFFZTMASA-N 2 2 249.358 2.111 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866722330 589515463 /nfs/dbraw/zinc/51/54/63/589515463.db2.gz XEEBBKSQFKTPAL-LSDHHAIUSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866722330 589515465 /nfs/dbraw/zinc/51/54/65/589515465.db2.gz XEEBBKSQFKTPAL-LSDHHAIUSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866720144 589515480 /nfs/dbraw/zinc/51/54/80/589515480.db2.gz HOAOABGMQWCASD-HUUCEWRRSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866720144 589515482 /nfs/dbraw/zinc/51/54/82/589515482.db2.gz HOAOABGMQWCASD-HUUCEWRRSA-N 2 2 230.355 2.321 20 0 BEADLP c1csc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723110 589516066 /nfs/dbraw/zinc/51/60/66/589516066.db2.gz DIUVNPCGKAXNAR-OLZOCXBDSA-N 2 2 236.384 2.117 20 0 BEADLP c1csc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723110 589516067 /nfs/dbraw/zinc/51/60/67/589516067.db2.gz DIUVNPCGKAXNAR-OLZOCXBDSA-N 2 2 236.384 2.117 20 0 BEADLP CC[C@H](CCC(F)(F)F)[NH2+]CC[NH+](C)C ZINC000872071563 589864195 /nfs/dbraw/zinc/86/41/95/589864195.db2.gz RJJHDQKNMQCHRO-SECBINFHSA-N 2 2 226.286 2.259 20 0 BEADLP CC(C)Cc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000872772990 589967698 /nfs/dbraw/zinc/96/76/98/589967698.db2.gz VHRLRXHKEAYUQL-NEPJUHHUSA-N 2 2 248.374 2.228 20 0 BEADLP CC(C)Cc1cc(N[C@@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000872782644 589969900 /nfs/dbraw/zinc/96/99/00/589969900.db2.gz MTHQLQZAQPXEAM-GFCCVEGCSA-N 2 2 248.374 2.229 20 0 BEADLP Cc1cc([NH2+]C[C@H](C[NH3+])C(C)C)ccc1N ZINC000873212113 589996031 /nfs/dbraw/zinc/99/60/31/589996031.db2.gz IPFZFLHEHQPQDF-NSHDSACASA-N 2 2 221.348 2.220 20 0 BEADLP Cc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230223 590001710 /nfs/dbraw/zinc/00/17/10/590001710.db2.gz NPFTYUHDHPGFSL-LSDHHAIUSA-N 2 2 230.355 2.369 20 0 BEADLP Cc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230683 590003412 /nfs/dbraw/zinc/00/34/12/590003412.db2.gz WDLUKKGTOHUXHO-HUUCEWRRSA-N 2 2 230.355 2.369 20 0 BEADLP COc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230920 590003557 /nfs/dbraw/zinc/00/35/57/590003557.db2.gz ZVVHBFFQPQNQMB-GJZGRUSLSA-N 2 2 246.354 2.069 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)[C@H]1CCCC[NH2+]1 ZINC000873238556 590005503 /nfs/dbraw/zinc/00/55/03/590005503.db2.gz BLFNDFKFAGZCCW-YVECIDJPSA-N 2 2 228.355 2.387 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CCSC1)[NH+](C)C ZINC000020201162 590085303 /nfs/dbraw/zinc/08/53/03/590085303.db2.gz KHMBYEPLHRYEPQ-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP CO[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)CC(C)C ZINC000877152700 590292877 /nfs/dbraw/zinc/29/28/77/590292877.db2.gz BQNPVFHNPHJSCW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)CC(C)C ZINC000877152700 590292878 /nfs/dbraw/zinc/29/28/78/590292878.db2.gz BQNPVFHNPHJSCW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877154388 590293347 /nfs/dbraw/zinc/29/33/47/590293347.db2.gz PGHDAZARRDMUNG-YIYPIFLZSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877154388 590293348 /nfs/dbraw/zinc/29/33/48/590293348.db2.gz PGHDAZARRDMUNG-YIYPIFLZSA-N 2 2 222.376 2.106 20 0 BEADLP COC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000126431921 590302883 /nfs/dbraw/zinc/30/28/83/590302883.db2.gz PPRYLSSIVSSJQW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CSC(C)(C)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000877540023 590350740 /nfs/dbraw/zinc/35/07/40/590350740.db2.gz XHFXONFIKVOEBZ-UHFFFAOYSA-N 2 2 239.388 2.230 20 0 BEADLP CSC(C)(C)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000877540023 590350742 /nfs/dbraw/zinc/35/07/42/590350742.db2.gz XHFXONFIKVOEBZ-UHFFFAOYSA-N 2 2 239.388 2.230 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741253 590410031 /nfs/dbraw/zinc/41/00/31/590410031.db2.gz AEFOKKTWPJNTQL-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741253 590410034 /nfs/dbraw/zinc/41/00/34/590410034.db2.gz AEFOKKTWPJNTQL-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741253 590410036 /nfs/dbraw/zinc/41/00/36/590410036.db2.gz AEFOKKTWPJNTQL-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741253 590410038 /nfs/dbraw/zinc/41/00/38/590410038.db2.gz AEFOKKTWPJNTQL-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744391 590410223 /nfs/dbraw/zinc/41/02/23/590410223.db2.gz SIKXXHQRJZEDSX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744391 590410227 /nfs/dbraw/zinc/41/02/27/590410227.db2.gz SIKXXHQRJZEDSX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744391 590410230 /nfs/dbraw/zinc/41/02/30/590410230.db2.gz SIKXXHQRJZEDSX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744391 590410232 /nfs/dbraw/zinc/41/02/32/590410232.db2.gz SIKXXHQRJZEDSX-STQMWFEESA-N 2 2 234.343 2.114 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744998 590412673 /nfs/dbraw/zinc/41/26/73/590412673.db2.gz YWORJTGJFNIIPO-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744998 590412676 /nfs/dbraw/zinc/41/26/76/590412676.db2.gz YWORJTGJFNIIPO-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744998 590412679 /nfs/dbraw/zinc/41/26/79/590412679.db2.gz YWORJTGJFNIIPO-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000877744998 590412680 /nfs/dbraw/zinc/41/26/80/590412680.db2.gz YWORJTGJFNIIPO-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC1CC3(CCC3)C1)C2 ZINC000878629519 590597622 /nfs/dbraw/zinc/59/76/22/590597622.db2.gz YAFHYJBCGNIFLR-UHFFFAOYSA-N 2 2 231.343 2.348 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CC1CC3(CCC3)C1)C2 ZINC000878629519 590597623 /nfs/dbraw/zinc/59/76/23/590597623.db2.gz YAFHYJBCGNIFLR-UHFFFAOYSA-N 2 2 231.343 2.348 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408148 590763613 /nfs/dbraw/zinc/76/36/13/590763613.db2.gz QLKGYXMZQVRGGU-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408148 590763618 /nfs/dbraw/zinc/76/36/18/590763618.db2.gz QLKGYXMZQVRGGU-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132503 590935412 /nfs/dbraw/zinc/93/54/12/590935412.db2.gz POIUATXBLRUSTJ-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132503 590935414 /nfs/dbraw/zinc/93/54/14/590935414.db2.gz POIUATXBLRUSTJ-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000880132503 590935415 /nfs/dbraw/zinc/93/54/15/590935415.db2.gz POIUATXBLRUSTJ-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000880132503 590935417 /nfs/dbraw/zinc/93/54/17/590935417.db2.gz POIUATXBLRUSTJ-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP CC(C)=CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880132714 590935616 /nfs/dbraw/zinc/93/56/16/590935616.db2.gz QZQWZFGKQQKKHJ-STQMWFEESA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132714 590935617 /nfs/dbraw/zinc/93/56/17/590935617.db2.gz QZQWZFGKQQKKHJ-STQMWFEESA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132714 590935619 /nfs/dbraw/zinc/93/56/19/590935619.db2.gz QZQWZFGKQQKKHJ-STQMWFEESA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880132714 590935621 /nfs/dbraw/zinc/93/56/21/590935621.db2.gz QZQWZFGKQQKKHJ-STQMWFEESA-N 2 2 208.349 2.121 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2[C@H]1C=CCCC1 ZINC000880134763 590936287 /nfs/dbraw/zinc/93/62/87/590936287.db2.gz VUOPWBWAQTYGOU-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2[C@H]1C=CCCC1 ZINC000880134763 590936289 /nfs/dbraw/zinc/93/62/89/590936289.db2.gz VUOPWBWAQTYGOU-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2[C@H]1C=CCCC1 ZINC000880134763 590936291 /nfs/dbraw/zinc/93/62/91/590936291.db2.gz VUOPWBWAQTYGOU-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1C=CCCC1 ZINC000880134763 590936293 /nfs/dbraw/zinc/93/62/93/590936293.db2.gz VUOPWBWAQTYGOU-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134605 590938748 /nfs/dbraw/zinc/93/87/48/590938748.db2.gz NSBIKKJIAFIBRF-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134605 590938750 /nfs/dbraw/zinc/93/87/50/590938750.db2.gz NSBIKKJIAFIBRF-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880134605 590938751 /nfs/dbraw/zinc/93/87/51/590938751.db2.gz NSBIKKJIAFIBRF-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880134605 590938753 /nfs/dbraw/zinc/93/87/53/590938753.db2.gz NSBIKKJIAFIBRF-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)nc1 ZINC000880138548 590939204 /nfs/dbraw/zinc/93/92/04/590939204.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)nc1 ZINC000880138548 590939208 /nfs/dbraw/zinc/93/92/08/590939208.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)nc1 ZINC000880138548 590939210 /nfs/dbraw/zinc/93/92/10/590939210.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)nc1 ZINC000880138548 590939213 /nfs/dbraw/zinc/93/92/13/590939213.db2.gz YJCCXXNXWBVLRS-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCC1 ZINC000880140662 590939730 /nfs/dbraw/zinc/93/97/30/590939730.db2.gz COALAXMJUCKGCN-KGLIPLIRSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1=CCCC1 ZINC000880140662 590939732 /nfs/dbraw/zinc/93/97/32/590939732.db2.gz COALAXMJUCKGCN-KGLIPLIRSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1=CCCC1 ZINC000880140662 590939733 /nfs/dbraw/zinc/93/97/33/590939733.db2.gz COALAXMJUCKGCN-KGLIPLIRSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1=CCCC1 ZINC000880140662 590939735 /nfs/dbraw/zinc/93/97/35/590939735.db2.gz COALAXMJUCKGCN-KGLIPLIRSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC=CC1 ZINC000880142741 590942543 /nfs/dbraw/zinc/94/25/43/590942543.db2.gz UAFKDBGJVIWKHD-KGLIPLIRSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC=CC1 ZINC000880142741 590942544 /nfs/dbraw/zinc/94/25/44/590942544.db2.gz UAFKDBGJVIWKHD-KGLIPLIRSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC=CC1 ZINC000880142741 590942545 /nfs/dbraw/zinc/94/25/45/590942545.db2.gz UAFKDBGJVIWKHD-KGLIPLIRSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC=CC1 ZINC000880142741 590942546 /nfs/dbraw/zinc/94/25/46/590942546.db2.gz UAFKDBGJVIWKHD-KGLIPLIRSA-N 2 2 220.360 2.121 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)ccn1 ZINC000880143164 590944077 /nfs/dbraw/zinc/94/40/77/590944077.db2.gz YTDBHDUPUMYOFU-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)ccn1 ZINC000880143164 590944071 /nfs/dbraw/zinc/94/40/71/590944071.db2.gz YTDBHDUPUMYOFU-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)ccn1 ZINC000880143164 590944074 /nfs/dbraw/zinc/94/40/74/590944074.db2.gz YTDBHDUPUMYOFU-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)ccn1 ZINC000880143164 590944075 /nfs/dbraw/zinc/94/40/75/590944075.db2.gz YTDBHDUPUMYOFU-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2[C@H](C)CC[C@@H]2CO)c(C)[nH+]1 ZINC000880435709 591037071 /nfs/dbraw/zinc/03/70/71/591037071.db2.gz UORHKFGYRDBITQ-TZMCWYRMSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@H+]2[C@H](C)CC[C@@H]2CO)c(C)[nH+]1 ZINC000880435709 591037075 /nfs/dbraw/zinc/03/70/75/591037075.db2.gz UORHKFGYRDBITQ-TZMCWYRMSA-N 2 2 248.370 2.352 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccncc2)CC1 ZINC000880473446 591054650 /nfs/dbraw/zinc/05/46/50/591054650.db2.gz ZRDYRLXJAXNIQQ-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP FCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568586 591097670 /nfs/dbraw/zinc/09/76/70/591097670.db2.gz AWKMSNVNGYSSOA-ZDUSSCGKSA-N 2 2 233.290 2.184 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000881815655 591273379 /nfs/dbraw/zinc/27/33/79/591273379.db2.gz UEXKGMJQGZISOB-CHWSQXEVSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000881815655 591273380 /nfs/dbraw/zinc/27/33/80/591273380.db2.gz UEXKGMJQGZISOB-CHWSQXEVSA-N 2 2 246.358 2.132 20 0 BEADLP CC[NH+](CC)C[C@H](C)Nc1nc[nH+]c(C)c1C ZINC000881851763 591274220 /nfs/dbraw/zinc/27/42/20/591274220.db2.gz QDQBKFMNEDYYHF-JTQLQIEISA-N 2 2 236.363 2.236 20 0 BEADLP Cc1[nH+]cnc(NC[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000882651685 591406728 /nfs/dbraw/zinc/40/67/28/591406728.db2.gz HYARLRMNEMDEIS-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NC[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000882651685 591406729 /nfs/dbraw/zinc/40/67/29/591406729.db2.gz HYARLRMNEMDEIS-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP c1oc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000131027864 591542591 /nfs/dbraw/zinc/54/25/91/591542591.db2.gz XXUBXTFKDLIDGS-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP c1oc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000131027864 591542594 /nfs/dbraw/zinc/54/25/94/591542594.db2.gz XXUBXTFKDLIDGS-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246758 591588381 /nfs/dbraw/zinc/58/83/81/591588381.db2.gz PXDNDUIOXOAXFH-BZPMIXESSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246758 591588384 /nfs/dbraw/zinc/58/83/84/591588384.db2.gz PXDNDUIOXOAXFH-BZPMIXESSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883266018 591600870 /nfs/dbraw/zinc/60/08/70/591600870.db2.gz QFPOZJYONYKGHC-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCCC1(F)F ZINC000883266018 591600874 /nfs/dbraw/zinc/60/08/74/591600874.db2.gz QFPOZJYONYKGHC-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1cc(N[C@@H]2C[N@@H+](C)C[C@H]2C)c[nH+]c1C ZINC000883342459 591621202 /nfs/dbraw/zinc/62/12/02/591621202.db2.gz YSJDVZQIIIDQAL-ZWNOBZJWSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1cc(N[C@@H]2C[N@H+](C)C[C@H]2C)c[nH+]c1C ZINC000883342459 591621204 /nfs/dbraw/zinc/62/12/04/591621204.db2.gz YSJDVZQIIIDQAL-ZWNOBZJWSA-N 2 2 219.332 2.060 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883418132 591654340 /nfs/dbraw/zinc/65/43/40/591654340.db2.gz YOLZRQINHATEOF-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883418132 591654342 /nfs/dbraw/zinc/65/43/42/591654342.db2.gz YOLZRQINHATEOF-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccnc2)c2ccccc21 ZINC000131937793 591678037 /nfs/dbraw/zinc/67/80/37/591678037.db2.gz XPDVXBBWQJJCQG-CABCVRRESA-N 2 2 239.322 2.316 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000133301878 591785891 /nfs/dbraw/zinc/78/58/91/591785891.db2.gz XRUGKJGRQDSKDW-VNHYZAJKSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000133607268 591842511 /nfs/dbraw/zinc/84/25/11/591842511.db2.gz NSSSDMQUVDUPMM-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000133607268 591842513 /nfs/dbraw/zinc/84/25/13/591842513.db2.gz NSSSDMQUVDUPMM-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+]CCn1cc[nH+]c1 ZINC000221759285 592444610 /nfs/dbraw/zinc/44/46/10/592444610.db2.gz GSSYSSZDXFNQRN-GFCCVEGCSA-N 2 2 247.317 2.243 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000223198419 592520078 /nfs/dbraw/zinc/52/00/78/592520078.db2.gz PGPQLGFMZVCTMH-RYUDHWBXSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[N@@H+]1C ZINC000299927861 634399942 /nfs/dbraw/zinc/39/99/42/634399942.db2.gz ASAKNLLKELPBQP-XBFCOCLRSA-N 2 2 245.370 2.141 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[N@H+]1C ZINC000299927861 634399949 /nfs/dbraw/zinc/39/99/49/634399949.db2.gz ASAKNLLKELPBQP-XBFCOCLRSA-N 2 2 245.370 2.141 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1C ZINC000925716208 634446465 /nfs/dbraw/zinc/44/64/65/634446465.db2.gz LVKCNQVCDHAJQC-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257709447 634477405 /nfs/dbraw/zinc/47/74/05/634477405.db2.gz SJIQVPQFUBERLX-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257709447 634477408 /nfs/dbraw/zinc/47/74/08/634477408.db2.gz SJIQVPQFUBERLX-HNNXBMFYSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000090400658 631291279 /nfs/dbraw/zinc/29/12/79/631291279.db2.gz CMYZUQIXHGQVCA-VIFPVBQESA-N 2 2 239.388 2.196 20 0 BEADLP C[N@H+](C[C@H]1CCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC000234336862 631395903 /nfs/dbraw/zinc/39/59/03/631395903.db2.gz JOJKZODNYXITNH-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](C[C@H]1CCC[NH2+]1)[C@@H]1CCc2ccccc21 ZINC000234336862 631395907 /nfs/dbraw/zinc/39/59/07/631395907.db2.gz JOJKZODNYXITNH-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000308833394 631679000 /nfs/dbraw/zinc/67/90/00/631679000.db2.gz HBQIFOLNRKSPNH-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000308833394 631679007 /nfs/dbraw/zinc/67/90/07/631679007.db2.gz HBQIFOLNRKSPNH-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000309034093 631807811 /nfs/dbraw/zinc/80/78/11/631807811.db2.gz DURUOWBOHLHANI-ZJUUUORDSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000309034093 631807814 /nfs/dbraw/zinc/80/78/14/631807814.db2.gz DURUOWBOHLHANI-ZJUUUORDSA-N 2 2 210.296 2.166 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000309387029 632023723 /nfs/dbraw/zinc/02/37/23/632023723.db2.gz ATUCODWWFNYUPT-UHFFFAOYSA-N 2 2 222.376 2.395 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C(C)C ZINC000054111305 635758532 /nfs/dbraw/zinc/75/85/32/635758532.db2.gz SBHONUWEVQZYOU-LBPRGKRZSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C(C)C ZINC000054111305 635758536 /nfs/dbraw/zinc/75/85/36/635758536.db2.gz SBHONUWEVQZYOU-LBPRGKRZSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)[N@H+](C)C1CC1 ZINC000924967139 635814259 /nfs/dbraw/zinc/81/42/59/635814259.db2.gz JZOADFKINAPJRM-XPCVCDNBSA-N 2 2 234.387 2.413 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)[N@@H+](C)C1CC1 ZINC000924967139 635814263 /nfs/dbraw/zinc/81/42/63/635814263.db2.gz JZOADFKINAPJRM-XPCVCDNBSA-N 2 2 234.387 2.413 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000235163158 632390921 /nfs/dbraw/zinc/39/09/21/632390921.db2.gz YXJHUIKCXXXRHV-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926580392 632590447 /nfs/dbraw/zinc/59/04/47/632590447.db2.gz QOJIVCKGOARIIN-AVGNSLFASA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926580392 632590456 /nfs/dbraw/zinc/59/04/56/632590456.db2.gz QOJIVCKGOARIIN-AVGNSLFASA-N 2 2 222.376 2.391 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177035073 632692900 /nfs/dbraw/zinc/69/29/00/632692900.db2.gz FBKJTFZLKWFPJU-FUEXJSSKSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177035073 632692905 /nfs/dbraw/zinc/69/29/05/632692905.db2.gz FBKJTFZLKWFPJU-FUEXJSSKSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000177035073 632692910 /nfs/dbraw/zinc/69/29/10/632692910.db2.gz FBKJTFZLKWFPJU-FUEXJSSKSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000177035073 632692915 /nfs/dbraw/zinc/69/29/15/632692915.db2.gz FBKJTFZLKWFPJU-FUEXJSSKSA-N 2 2 230.783 2.403 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000310064256 634068312 /nfs/dbraw/zinc/06/83/12/634068312.db2.gz AQENFCPIFSGEOX-GFCCVEGCSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000310064256 634068318 /nfs/dbraw/zinc/06/83/18/634068318.db2.gz AQENFCPIFSGEOX-GFCCVEGCSA-N 2 2 242.313 2.409 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C(CC)CC ZINC000053345006 634170864 /nfs/dbraw/zinc/17/08/64/634170864.db2.gz ODSVGDMARLRKSN-UHFFFAOYSA-N 2 2 200.370 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C(CC)CC ZINC000053345006 634170867 /nfs/dbraw/zinc/17/08/67/634170867.db2.gz ODSVGDMARLRKSN-UHFFFAOYSA-N 2 2 200.370 2.497 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1=CCOCC1)c1ccccc1 ZINC000925678998 634276935 /nfs/dbraw/zinc/27/69/35/634276935.db2.gz GZDQNDVEMLPGMN-IUODEOHRSA-N 2 2 246.354 2.011 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925698010 634359795 /nfs/dbraw/zinc/35/97/95/634359795.db2.gz ZWYHLOTVRIMPSZ-RZFFKMDDSA-N 2 2 248.370 2.232 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925701366 634374833 /nfs/dbraw/zinc/37/48/33/634374833.db2.gz YGRDFKUWLGTDKT-UKRRQHHQSA-N 3 2 249.402 2.054 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1coc2ccccc12 ZINC000258652046 635183217 /nfs/dbraw/zinc/18/32/17/635183217.db2.gz AQTMZJHFEHOOFM-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1coc2ccccc12 ZINC000258652046 635183224 /nfs/dbraw/zinc/18/32/24/635183224.db2.gz AQTMZJHFEHOOFM-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000925786224 635304657 /nfs/dbraw/zinc/30/46/57/635304657.db2.gz SHTJVWCYJMNMNI-RBDSIQFVSA-N 2 2 230.355 2.432 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925788237 635307631 /nfs/dbraw/zinc/30/76/31/635307631.db2.gz ZMBPGBVDKYPEAC-KCPJHIHWSA-N 2 2 230.355 2.180 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041029183 636952241 /nfs/dbraw/zinc/95/22/41/636952241.db2.gz JQNGPNOTZGGZCK-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041029183 636952234 /nfs/dbraw/zinc/95/22/34/636952234.db2.gz JQNGPNOTZGGZCK-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP CCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041042033 636956647 /nfs/dbraw/zinc/95/66/47/636956647.db2.gz GRZWHFZFJIVJLR-GFCCVEGCSA-N 2 2 209.337 2.442 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924650785 636976417 /nfs/dbraw/zinc/97/64/17/636976417.db2.gz WZVRNMXINWALKX-XJFOESAGSA-N 2 2 231.343 2.216 20 0 BEADLP CCO[C@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904429141 637398698 /nfs/dbraw/zinc/39/86/98/637398698.db2.gz XOTIZFPJNRJVFH-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP CCO[C@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904429141 637398705 /nfs/dbraw/zinc/39/87/05/637398705.db2.gz XOTIZFPJNRJVFH-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000668677345 638673106 /nfs/dbraw/zinc/67/31/06/638673106.db2.gz MSCXDMXXWFUMHD-RYUDHWBXSA-N 2 2 227.311 2.176 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000668677345 638673110 /nfs/dbraw/zinc/67/31/10/638673110.db2.gz MSCXDMXXWFUMHD-RYUDHWBXSA-N 2 2 227.311 2.176 20 0 BEADLP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000930667344 639853962 /nfs/dbraw/zinc/85/39/62/639853962.db2.gz QZLFEESGNSTXCD-DGCLKSJQSA-N 2 2 237.347 2.074 20 0 BEADLP C[NH+]1C[C@@]2(C)C[NH+](C[Si](C)(C)C)C[C@]2(C)C1 ZINC000931312084 640145698 /nfs/dbraw/zinc/14/56/98/640145698.db2.gz UQIYLYBMOFQTNH-STQMWFEESA-N 2 2 240.467 2.137 20 0 BEADLP Nc1cc[nH+]c2c1C[N@@H+]([C@H]1C=CCCC1)CC2 ZINC000931510653 640241261 /nfs/dbraw/zinc/24/12/61/640241261.db2.gz GKVHTUBTFBCDMK-NSHDSACASA-N 2 2 229.327 2.131 20 0 BEADLP Nc1cc[nH+]c2c1C[N@H+]([C@H]1C=CCCC1)CC2 ZINC000931510653 640241263 /nfs/dbraw/zinc/24/12/63/640241263.db2.gz GKVHTUBTFBCDMK-NSHDSACASA-N 2 2 229.327 2.131 20 0 BEADLP CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721862 640326271 /nfs/dbraw/zinc/32/62/71/640326271.db2.gz ZQOGBWQWDJRLHV-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721862 640326275 /nfs/dbraw/zinc/32/62/75/640326275.db2.gz ZQOGBWQWDJRLHV-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721862 640326280 /nfs/dbraw/zinc/32/62/80/640326280.db2.gz ZQOGBWQWDJRLHV-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721862 640326283 /nfs/dbraw/zinc/32/62/83/640326283.db2.gz ZQOGBWQWDJRLHV-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C1CCCC1 ZINC000931721267 640340285 /nfs/dbraw/zinc/34/02/85/640340285.db2.gz MJVCFJAGIXNEPV-QWHCGFSZSA-N 2 2 208.349 2.098 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C1CCCC1 ZINC000931721267 640340288 /nfs/dbraw/zinc/34/02/88/640340288.db2.gz MJVCFJAGIXNEPV-QWHCGFSZSA-N 2 2 208.349 2.098 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C1CCCC1 ZINC000931721267 640340294 /nfs/dbraw/zinc/34/02/94/640340294.db2.gz MJVCFJAGIXNEPV-QWHCGFSZSA-N 2 2 208.349 2.098 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C1CCCC1 ZINC000931721267 640340299 /nfs/dbraw/zinc/34/02/99/640340299.db2.gz MJVCFJAGIXNEPV-QWHCGFSZSA-N 2 2 208.349 2.098 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCF ZINC000931720461 640340507 /nfs/dbraw/zinc/34/05/07/640340507.db2.gz AVRJCNUCLAXZSM-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCCF ZINC000931720461 640340509 /nfs/dbraw/zinc/34/05/09/640340509.db2.gz AVRJCNUCLAXZSM-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCCF ZINC000931720461 640340512 /nfs/dbraw/zinc/34/05/12/640340512.db2.gz AVRJCNUCLAXZSM-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCCF ZINC000931720461 640340515 /nfs/dbraw/zinc/34/05/15/640340515.db2.gz AVRJCNUCLAXZSM-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@@H+]1C ZINC000226826114 640798217 /nfs/dbraw/zinc/79/82/17/640798217.db2.gz ASAKNLLKELPBQP-KWCYVHTRSA-N 2 2 245.370 2.141 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@H+]1C ZINC000226826114 640798221 /nfs/dbraw/zinc/79/82/21/640798221.db2.gz ASAKNLLKELPBQP-KWCYVHTRSA-N 2 2 245.370 2.141 20 0 BEADLP CCCCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000934200646 641099368 /nfs/dbraw/zinc/09/93/68/641099368.db2.gz LKHLYVUDMMCXOY-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP CCCCC1([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000934200646 641099372 /nfs/dbraw/zinc/09/93/72/641099372.db2.gz LKHLYVUDMMCXOY-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP CCCCC1([NH2+]CC[NH+]2CCCC2)CC1 ZINC000934201261 641100065 /nfs/dbraw/zinc/10/00/65/641100065.db2.gz UANMICFEBOMYSM-UHFFFAOYSA-N 2 2 210.365 2.395 20 0 BEADLP C[C@H]1CSCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000934302713 641122532 /nfs/dbraw/zinc/12/25/32/641122532.db2.gz FFPACCPWCNZBRF-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H]1CSCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000934302713 641122535 /nfs/dbraw/zinc/12/25/35/641122535.db2.gz FFPACCPWCNZBRF-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP CC(C)C[C@@H](C[NH2+]C1CCSCC1)[NH+](C)C ZINC000035234383 641277985 /nfs/dbraw/zinc/27/79/85/641277985.db2.gz KLBXISBHZKSRKY-ZDUSSCGKSA-N 2 2 244.448 2.448 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000232780565 641674116 /nfs/dbraw/zinc/67/41/16/641674116.db2.gz CRLKMPNVWXALNT-OLZOCXBDSA-N 2 2 242.407 2.025 20 0 BEADLP C[NH+](C)[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC000916838596 641980791 /nfs/dbraw/zinc/98/07/91/641980791.db2.gz XBKMBGYMOFNBTN-OAHLLOKOSA-N 2 2 232.371 2.159 20 0 BEADLP C[NH+](C)CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932380830 643191100 /nfs/dbraw/zinc/19/11/00/643191100.db2.gz WWGSBISMPFPJJK-AWEZNQCLSA-N 2 2 233.359 2.074 20 0 BEADLP C[N@H+](C/C=C\Cl)C[C@H]1CCC[NH+](C)C1 ZINC000254991648 643214280 /nfs/dbraw/zinc/21/42/80/643214280.db2.gz QFBUVZJJSLZIBI-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP C[N@@H+](C/C=C\Cl)C[C@H]1CCC[NH+](C)C1 ZINC000254991648 643214288 /nfs/dbraw/zinc/21/42/88/643214288.db2.gz QFBUVZJJSLZIBI-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C\Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000254991648 643214295 /nfs/dbraw/zinc/21/42/95/643214295.db2.gz QFBUVZJJSLZIBI-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP C[NH+](C/C=C\Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000254991648 643214297 /nfs/dbraw/zinc/21/42/97/643214297.db2.gz QFBUVZJJSLZIBI-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000234054196 643358270 /nfs/dbraw/zinc/35/82/70/643358270.db2.gz OXXWZLAJNGQDFV-HIFRSBDPSA-N 2 2 248.370 2.488 20 0 BEADLP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295621 644332473 /nfs/dbraw/zinc/33/24/73/644332473.db2.gz ZJMVKSKAXFIAMW-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295621 644332476 /nfs/dbraw/zinc/33/24/76/644332476.db2.gz ZJMVKSKAXFIAMW-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923427027 644422309 /nfs/dbraw/zinc/42/23/09/644422309.db2.gz WXGSCYINCIQXQB-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923427027 644422315 /nfs/dbraw/zinc/42/23/15/644422315.db2.gz WXGSCYINCIQXQB-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CC[NH+]1CCC([N@H+](C)C[Si](C)(C)C)CC1 ZINC000740874602 644561995 /nfs/dbraw/zinc/56/19/95/644561995.db2.gz SUFPCGGIFFGDSQ-UHFFFAOYSA-N 2 2 228.456 2.280 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)C[Si](C)(C)C)CC1 ZINC000740874602 644561998 /nfs/dbraw/zinc/56/19/98/644561998.db2.gz SUFPCGGIFFGDSQ-UHFFFAOYSA-N 2 2 228.456 2.280 20 0 BEADLP c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)co1 ZINC000093866181 644702255 /nfs/dbraw/zinc/70/22/55/644702255.db2.gz IWBAJFAFEKBCEB-CQSZACIVSA-N 2 2 244.294 2.328 20 0 BEADLP c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)co1 ZINC000093866181 644702261 /nfs/dbraw/zinc/70/22/61/644702261.db2.gz IWBAJFAFEKBCEB-CQSZACIVSA-N 2 2 244.294 2.328 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000251180845 644796954 /nfs/dbraw/zinc/79/69/54/644796954.db2.gz HPSFYDGFZGLEGP-TZMCWYRMSA-N 2 2 218.344 2.350 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000251180845 644796955 /nfs/dbraw/zinc/79/69/55/644796955.db2.gz HPSFYDGFZGLEGP-TZMCWYRMSA-N 2 2 218.344 2.350 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000251778182 644821963 /nfs/dbraw/zinc/82/19/63/644821963.db2.gz FJVDITMYQVWMHY-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP C/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926764231 645412428 /nfs/dbraw/zinc/41/24/28/645412428.db2.gz CIPXRLVCRTXPGW-XCUNLHGCSA-N 2 2 208.349 2.169 20 0 BEADLP C/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926764231 645412431 /nfs/dbraw/zinc/41/24/31/645412431.db2.gz CIPXRLVCRTXPGW-XCUNLHGCSA-N 2 2 208.349 2.169 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1 ZINC000925490511 645536977 /nfs/dbraw/zinc/53/69/77/645536977.db2.gz OBFDYGMDQDWJQG-URBCHYCLSA-N 2 2 204.317 2.073 20 0 BEADLP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925496220 645935508 /nfs/dbraw/zinc/93/55/08/645935508.db2.gz TYKKUYMDAWQDFT-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925496218 645935538 /nfs/dbraw/zinc/93/55/38/645935538.db2.gz TYKKUYMDAWQDFT-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925496223 645935560 /nfs/dbraw/zinc/93/55/60/645935560.db2.gz TYKKUYMDAWQDFT-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000235709014 711524636 /nfs/dbraw/zinc/52/46/36/711524636.db2.gz JCBVYHCGUWQUBB-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000235709014 711524637 /nfs/dbraw/zinc/52/46/37/711524637.db2.gz JCBVYHCGUWQUBB-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924904502 646130774 /nfs/dbraw/zinc/13/07/74/646130774.db2.gz QJMQYJRSCRHUBV-GUTXKFCHSA-N 2 2 234.387 2.415 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924904502 646130780 /nfs/dbraw/zinc/13/07/80/646130780.db2.gz QJMQYJRSCRHUBV-GUTXKFCHSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925014257 646157365 /nfs/dbraw/zinc/15/73/65/646157365.db2.gz ZRCLHRMHAYVVGL-MYZSUADSSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925014257 646157374 /nfs/dbraw/zinc/15/73/74/646157374.db2.gz ZRCLHRMHAYVVGL-MYZSUADSSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(SC)C1 ZINC000925026510 646159940 /nfs/dbraw/zinc/15/99/40/646159940.db2.gz IEDLQMRTQKQZJX-CPCZMJQVSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(SC)C1 ZINC000925026510 646159943 /nfs/dbraw/zinc/15/99/43/646159943.db2.gz IEDLQMRTQKQZJX-CPCZMJQVSA-N 2 2 242.432 2.344 20 0 BEADLP COC/C(C)=C/C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803055 646327175 /nfs/dbraw/zinc/32/71/75/646327175.db2.gz AWOCNGNZQLKEKE-QLKAYGNNSA-N 2 2 249.358 2.113 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000929825948 646340637 /nfs/dbraw/zinc/34/06/37/646340637.db2.gz NJWNTECNYFITSL-GXTWGEPZSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000929825948 646340641 /nfs/dbraw/zinc/34/06/41/646340641.db2.gz NJWNTECNYFITSL-GXTWGEPZSA-N 2 2 249.358 2.027 20 0 BEADLP C[C@H](F)CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925676882 646405804 /nfs/dbraw/zinc/40/58/04/646405804.db2.gz MGTKSKGSBDPYLG-GVXVVHGQSA-N 2 2 224.323 2.413 20 0 BEADLP [NH3+][C@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)C12CCC2 ZINC000925690195 646415952 /nfs/dbraw/zinc/41/59/52/646415952.db2.gz GEBHCMGZMAVAND-KBPBESRZSA-N 2 2 243.354 2.336 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925732755 646456181 /nfs/dbraw/zinc/45/61/81/646456181.db2.gz CUSMLGPQGRYAFC-BFHYXJOUSA-N 2 2 242.407 2.169 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925732758 646456547 /nfs/dbraw/zinc/45/65/47/646456547.db2.gz CUSMLGPQGRYAFC-MELADBBJSA-N 2 2 242.407 2.169 20 0 BEADLP Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)c[nH+]c1C ZINC000925768195 646468001 /nfs/dbraw/zinc/46/80/01/646468001.db2.gz IFGQFMJBRAMVES-WCQYABFASA-N 2 2 219.332 2.251 20 0 BEADLP C[C@H]([NH2+]Cc1cscc1Cl)C1C[NH2+]C1 ZINC000925773628 646472191 /nfs/dbraw/zinc/47/21/91/646472191.db2.gz ZOIXRKHFWLPABJ-ZETCQYMHSA-N 2 2 230.764 2.099 20 0 BEADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925780672 646477912 /nfs/dbraw/zinc/47/79/12/646477912.db2.gz UVQMNMVJZNIWTI-VHSXEESVSA-N 2 2 244.285 2.175 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)C2 ZINC000925782062 646479071 /nfs/dbraw/zinc/47/90/71/646479071.db2.gz CNWAUANGJCTYHB-UAXWRAGISA-N 2 2 244.382 2.426 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(C)c1 ZINC000925832786 646501038 /nfs/dbraw/zinc/50/10/38/646501038.db2.gz FCJXNXMWNRTKAI-KGLIPLIRSA-N 2 2 247.386 2.448 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(C)c1 ZINC000925832780 646501691 /nfs/dbraw/zinc/50/16/91/646501691.db2.gz FCJXNXMWNRTKAI-KBPBESRZSA-N 2 2 247.386 2.448 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925929243 646543833 /nfs/dbraw/zinc/54/38/33/646543833.db2.gz LGMPFIHNDFYKRX-VQJWOFKYSA-N 2 2 234.387 2.271 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925929243 646543835 /nfs/dbraw/zinc/54/38/35/646543835.db2.gz LGMPFIHNDFYKRX-VQJWOFKYSA-N 2 2 234.387 2.271 20 0 BEADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC1(F)F ZINC000926428265 646636975 /nfs/dbraw/zinc/63/69/75/646636975.db2.gz JBJRCZNPKOGFLG-FBTJUVTCSA-N 2 2 244.329 2.104 20 0 BEADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC1(F)F ZINC000926428265 646636980 /nfs/dbraw/zinc/63/69/80/646636980.db2.gz JBJRCZNPKOGFLG-FBTJUVTCSA-N 2 2 244.329 2.104 20 0 BEADLP FCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926462685 646649483 /nfs/dbraw/zinc/64/94/83/646649483.db2.gz BKMHJHRHGRNZIB-QWHCGFSZSA-N 2 2 228.355 2.343 20 0 BEADLP FCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926462685 646649484 /nfs/dbraw/zinc/64/94/84/646649484.db2.gz BKMHJHRHGRNZIB-QWHCGFSZSA-N 2 2 228.355 2.343 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000228128612 711833778 /nfs/dbraw/zinc/83/37/78/711833778.db2.gz PTVSDHPGGRYJPY-JTQLQIEISA-N 2 2 242.313 2.047 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CC1 ZINC000037167116 712550227 /nfs/dbraw/zinc/55/02/27/712550227.db2.gz VIKSPJJNUFYVEG-DGCLKSJQSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000380104272 712686283 /nfs/dbraw/zinc/68/62/83/712686283.db2.gz MSSUCYPEOPCIIX-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000380132467 712691592 /nfs/dbraw/zinc/69/15/92/712691592.db2.gz TWCGWYQCQNICHN-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000380132467 712691594 /nfs/dbraw/zinc/69/15/94/712691594.db2.gz TWCGWYQCQNICHN-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000721169300 712893928 /nfs/dbraw/zinc/89/39/28/712893928.db2.gz UDUWSXFOJBPRPT-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383106260 710977659 /nfs/dbraw/zinc/97/76/59/710977659.db2.gz DEXQLTQNYNYRQY-KYYPQDQFSA-N 2 2 248.395 2.143 20 0 BEADLP CSC(C)(C)CC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000385334756 711011649 /nfs/dbraw/zinc/01/16/49/711011649.db2.gz VSLFODQJTNHGEG-LLVKDONJSA-N 2 2 241.404 2.393 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000388047260 711050527 /nfs/dbraw/zinc/05/05/27/711050527.db2.gz HHHDMUSGJLJGSB-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000388047260 711050531 /nfs/dbraw/zinc/05/05/31/711050531.db2.gz HHHDMUSGJLJGSB-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]1C ZINC000389374332 711077002 /nfs/dbraw/zinc/07/70/02/711077002.db2.gz AARGANIYYQGDHI-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+](C)C ZINC000389439764 711078560 /nfs/dbraw/zinc/07/85/60/711078560.db2.gz GVAVKECLXPXCAV-JHJVBQTASA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cocn1 ZINC000395197601 711204741 /nfs/dbraw/zinc/20/47/41/711204741.db2.gz TZHKCNUNYXDZLJ-GFCCVEGCSA-N 2 2 248.330 2.076 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396645283 711362700 /nfs/dbraw/zinc/36/27/00/711362700.db2.gz BZANCNPZBDXXJZ-CMPLNLGQSA-N 2 2 224.373 2.287 20 0 BEADLP CCC[C@H]1C[NH2+]CCN1Cc1cc(C)cc(C)[nH+]1 ZINC000723646574 711530413 /nfs/dbraw/zinc/53/04/13/711530413.db2.gz LFWUPCGBTMEULX-HNNXBMFYSA-N 2 2 247.386 2.272 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000723993340 711551992 /nfs/dbraw/zinc/55/19/92/711551992.db2.gz MBTYXEFACNDZCT-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177838640 711672632 /nfs/dbraw/zinc/67/26/32/711672632.db2.gz RBEMUYUFAXJCER-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177838640 711672634 /nfs/dbraw/zinc/67/26/34/711672634.db2.gz RBEMUYUFAXJCER-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000177838640 711672637 /nfs/dbraw/zinc/67/26/37/711672637.db2.gz RBEMUYUFAXJCER-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000177838640 711672638 /nfs/dbraw/zinc/67/26/38/711672638.db2.gz RBEMUYUFAXJCER-DUMNWFOQSA-N 2 2 216.756 2.013 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000721245832 711794276 /nfs/dbraw/zinc/79/42/76/711794276.db2.gz GSVCSFJBWGRPLB-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000721245832 711794278 /nfs/dbraw/zinc/79/42/78/711794278.db2.gz GSVCSFJBWGRPLB-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000721245828 711794316 /nfs/dbraw/zinc/79/43/16/711794316.db2.gz GSVCSFJBWGRPLB-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000721245828 711794317 /nfs/dbraw/zinc/79/43/17/711794317.db2.gz GSVCSFJBWGRPLB-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1occc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000700442957 711993869 /nfs/dbraw/zinc/99/38/69/711993869.db2.gz NTITXWQUYRMHTM-JTQLQIEISA-N 2 2 210.321 2.018 20 0 BEADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCCCC2)ccn1 ZINC000703166584 712067391 /nfs/dbraw/zinc/06/73/91/712067391.db2.gz UPOFDHLHAOQAGG-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCCCC2)ccn1 ZINC000703166584 712067392 /nfs/dbraw/zinc/06/73/92/712067392.db2.gz UPOFDHLHAOQAGG-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP CSC1CC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000706931822 712161572 /nfs/dbraw/zinc/16/15/72/712161572.db2.gz UBUKGMQJPBJFDX-UNXYVOJBSA-N 2 2 242.432 2.343 20 0 BEADLP C[N@H+](Cc1cncc2ccccc21)CC(C)(C)[NH3+] ZINC000709333263 712219700 /nfs/dbraw/zinc/21/97/00/712219700.db2.gz UBDCEPLYEVZTTO-UHFFFAOYSA-N 2 2 243.354 2.404 20 0 BEADLP C[N@@H+](Cc1cncc2ccccc21)CC(C)(C)[NH3+] ZINC000709333263 712219701 /nfs/dbraw/zinc/21/97/01/712219701.db2.gz UBDCEPLYEVZTTO-UHFFFAOYSA-N 2 2 243.354 2.404 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711165417 712287362 /nfs/dbraw/zinc/28/73/62/712287362.db2.gz CJRQTUDQZHVQKL-IGQOVBAYSA-N 2 2 233.359 2.440 20 0 BEADLP COC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000711857487 712335510 /nfs/dbraw/zinc/33/55/10/712335510.db2.gz ZDBWRZOEJKVCOB-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP COC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000711857487 712335512 /nfs/dbraw/zinc/33/55/12/712335512.db2.gz ZDBWRZOEJKVCOB-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@@H+]1CC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000712581130 712433745 /nfs/dbraw/zinc/43/37/45/712433745.db2.gz UBNWIVBNGXFFFZ-JTQLQIEISA-N 2 2 230.315 2.069 20 0 BEADLP CC[N@H+]1CC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000712581130 712433746 /nfs/dbraw/zinc/43/37/46/712433746.db2.gz UBNWIVBNGXFFFZ-JTQLQIEISA-N 2 2 230.315 2.069 20 0 BEADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccccc1F ZINC000712557189 712444967 /nfs/dbraw/zinc/44/49/67/712444967.db2.gz JDOWSFWKHXLWET-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccccc1F ZINC000712557189 712444968 /nfs/dbraw/zinc/44/49/68/712444968.db2.gz JDOWSFWKHXLWET-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CC1 ZINC000037167114 712550006 /nfs/dbraw/zinc/55/00/06/712550006.db2.gz VIKSPJJNUFYVEG-WCQYABFASA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000380104274 712686540 /nfs/dbraw/zinc/68/65/40/712686540.db2.gz MSSUCYPEOPCIIX-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000721169355 712894097 /nfs/dbraw/zinc/89/40/97/712894097.db2.gz WEBZBGOAQOICLE-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000721169355 712894099 /nfs/dbraw/zinc/89/40/99/712894099.db2.gz WEBZBGOAQOICLE-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693849153 959434847 /nfs/dbraw/zinc/43/48/47/959434847.db2.gz AEQYFAGYPLYYRP-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1(Cl)CC1 ZINC000695656291 960328730 /nfs/dbraw/zinc/32/87/30/960328730.db2.gz PMOCQGAAFZENGV-LLVKDONJSA-N 2 2 241.766 2.413 20 0 BEADLP Cc1nc(N[C@@H](C)C[NH+](C)C)cc(C(C)C)[nH+]1 ZINC000709798002 961575850 /nfs/dbraw/zinc/57/58/50/961575850.db2.gz JBWAQKRWSQONTJ-JTQLQIEISA-N 2 2 236.363 2.270 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911918 961820808 /nfs/dbraw/zinc/82/08/08/961820808.db2.gz FGZLHXPSADTNAV-CRWXNKLISA-N 2 2 222.376 2.105 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911918 961820813 /nfs/dbraw/zinc/82/08/13/961820813.db2.gz FGZLHXPSADTNAV-CRWXNKLISA-N 2 2 222.376 2.105 20 0 BEADLP Cc1ccc(N[C@@H](C)C[NH+](C)C)[nH+]c1C ZINC001155917563 963199286 /nfs/dbraw/zinc/19/92/86/963199286.db2.gz YCTKEYLNQZCZLH-JTQLQIEISA-N 2 2 207.321 2.060 20 0 BEADLP Cc1[nH+]cc(Nc2c[nH+]ccc2N(C)C)cc1N ZINC001210287018 1165864862 /nfs/dbraw/zinc/86/48/62/1165864862.db2.gz JPYUEDFXJPCFID-UHFFFAOYSA-N 2 2 243.314 2.177 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000069664045 1165904048 /nfs/dbraw/zinc/90/40/48/1165904048.db2.gz AICOBJHXUDUJJH-WCQYABFASA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000069664045 1165904055 /nfs/dbraw/zinc/90/40/55/1165904055.db2.gz AICOBJHXUDUJJH-WCQYABFASA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC000238799174 1166043318 /nfs/dbraw/zinc/04/33/18/1166043318.db2.gz MPSFDXPAYIMTKZ-MNOVXSKESA-N 2 2 207.321 2.321 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000403352386 1166125494 /nfs/dbraw/zinc/12/54/94/1166125494.db2.gz WNUCIOZEFNGBFB-DTWKUNHWSA-N 2 2 237.174 2.365 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403352386 1166125496 /nfs/dbraw/zinc/12/54/96/1166125496.db2.gz WNUCIOZEFNGBFB-DTWKUNHWSA-N 2 2 237.174 2.365 20 0 BEADLP CSCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000228876205 1166225542 /nfs/dbraw/zinc/22/55/42/1166225542.db2.gz NODIFDIKRNCOQJ-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000228876205 1166225550 /nfs/dbraw/zinc/22/55/50/1166225550.db2.gz NODIFDIKRNCOQJ-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000723478201 969317262 /nfs/dbraw/zinc/31/72/62/969317262.db2.gz ODWGKCINVZJFFF-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CCCCCC[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000250813358 1166432400 /nfs/dbraw/zinc/43/24/00/1166432400.db2.gz IDAPVEXZUMLYLI-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCCC[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000250813358 1166432403 /nfs/dbraw/zinc/43/24/03/1166432403.db2.gz IDAPVEXZUMLYLI-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]1CCCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209725868 969581331 /nfs/dbraw/zinc/58/13/31/969581331.db2.gz CSONOHIJQUVOHO-NSHDSACASA-N 2 2 219.332 2.116 20 0 BEADLP C[C@H]1CCCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209725868 969581371 /nfs/dbraw/zinc/58/13/71/969581371.db2.gz CSONOHIJQUVOHO-NSHDSACASA-N 2 2 219.332 2.116 20 0 BEADLP Cc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000328231818 1166461286 /nfs/dbraw/zinc/46/12/86/1166461286.db2.gz DLNWSBCOQXIBQU-LQDVMPOASA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000328231818 1166461289 /nfs/dbraw/zinc/46/12/89/1166461289.db2.gz DLNWSBCOQXIBQU-LQDVMPOASA-N 2 2 245.370 2.105 20 0 BEADLP c1cn([C@@H]2CCSC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001255290935 970054655 /nfs/dbraw/zinc/05/46/55/970054655.db2.gz NVTWPQYSZIKFMG-GHMZBOCLSA-N 2 2 237.372 2.028 20 0 BEADLP Cc1cc(C)c(Nc2c[nH+]cn2C)c[nH+]1 ZINC001211246435 970195221 /nfs/dbraw/zinc/19/52/21/970195221.db2.gz AICGLQAMCQKXAS-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)CC(F)(F)F)C2 ZINC001255653759 970434285 /nfs/dbraw/zinc/43/42/85/970434285.db2.gz VQPWNZJDZYFWIP-QMMMGPOBSA-N 2 2 247.264 2.348 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)CC(F)(F)F)C2 ZINC001255653759 970434291 /nfs/dbraw/zinc/43/42/91/970434291.db2.gz VQPWNZJDZYFWIP-QMMMGPOBSA-N 2 2 247.264 2.348 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH+]1CC2(CSC2)C1 ZINC001255971732 970608472 /nfs/dbraw/zinc/60/84/72/970608472.db2.gz KIGJVLTXXWPUFZ-LBPRGKRZSA-N 2 2 242.432 2.156 20 0 BEADLP C[C@H]1CCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072517 970642134 /nfs/dbraw/zinc/64/21/34/970642134.db2.gz DFNAICKUJWVNSV-LBPRGKRZSA-N 2 2 222.376 2.488 20 0 BEADLP CCSC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001173290263 975257573 /nfs/dbraw/zinc/25/75/73/975257573.db2.gz CORAXKQAWKFVLM-SECBINFHSA-N 2 2 227.377 2.007 20 0 BEADLP Cc1cc(NC2(C)CC[NH2+]CC2)c[nH+]c1C ZINC001168185930 1167433061 /nfs/dbraw/zinc/43/30/61/1167433061.db2.gz PQUASZHUNAAORB-UHFFFAOYSA-N 2 2 219.332 2.252 20 0 BEADLP CC(C)CC[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000053343744 1167450210 /nfs/dbraw/zinc/45/02/10/1167450210.db2.gz FRNQRHKNYMBSIO-CYBMUJFWSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)CC[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000053343744 1167450216 /nfs/dbraw/zinc/45/02/16/1167450216.db2.gz FRNQRHKNYMBSIO-CYBMUJFWSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H](CC[NH2+][C@@H](C)c1ccccn1)[NH+](C)C ZINC000697886187 1167554454 /nfs/dbraw/zinc/55/44/54/1167554454.db2.gz HFIWYFNOJLTHTC-NEPJUHHUSA-N 2 2 221.348 2.072 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000228689870 1167672547 /nfs/dbraw/zinc/67/25/47/1167672547.db2.gz BMEPYMWGIOTUSI-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000228689870 1167672549 /nfs/dbraw/zinc/67/25/49/1167672549.db2.gz BMEPYMWGIOTUSI-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001205101505 1167756724 /nfs/dbraw/zinc/75/67/24/1167756724.db2.gz HKCHTNCROOSQJN-JTQLQIEISA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001205101505 1167756727 /nfs/dbraw/zinc/75/67/27/1167756727.db2.gz HKCHTNCROOSQJN-JTQLQIEISA-N 2 2 239.750 2.048 20 0 BEADLP CC(C)SCC[NH2+]C1(C[NH+](C)C)CCC1 ZINC000336756366 1168450508 /nfs/dbraw/zinc/45/05/08/1168450508.db2.gz JISLDLRHPVQCSO-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717049513 1168912492 /nfs/dbraw/zinc/91/24/92/1168912492.db2.gz SPGNXSNNJTUBRG-GUBZILKMSA-N 2 2 238.297 2.244 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717049513 1168912501 /nfs/dbraw/zinc/91/25/01/1168912501.db2.gz SPGNXSNNJTUBRG-GUBZILKMSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]([NH3+])c1ccccc1-c1c[nH+]cn1C ZINC000258204947 1168940880 /nfs/dbraw/zinc/94/08/80/1168940880.db2.gz XCBHIPRBMHVPKX-SECBINFHSA-N 2 2 201.273 2.107 20 0 BEADLP c1ccc(CC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC000257715025 1168941438 /nfs/dbraw/zinc/94/14/38/1168941438.db2.gz UQTZVEFMGVQXTA-MRXNPFEDSA-N 2 2 244.382 2.447 20 0 BEADLP c1ccc(CC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC000257715025 1168941447 /nfs/dbraw/zinc/94/14/47/1168941447.db2.gz UQTZVEFMGVQXTA-MRXNPFEDSA-N 2 2 244.382 2.447 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](CCC(C)(C)C)C2 ZINC001202064856 983544809 /nfs/dbraw/zinc/54/48/09/983544809.db2.gz CFVGEHDPBBRLQR-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](CCC(C)(C)C)C2 ZINC001202064856 983544817 /nfs/dbraw/zinc/54/48/17/983544817.db2.gz CFVGEHDPBBRLQR-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202190295 983592725 /nfs/dbraw/zinc/59/27/25/983592725.db2.gz NOAQXSRFJVFOON-KBPBESRZSA-N 2 2 222.376 2.203 20 0 BEADLP C[N@H+]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@@H]21 ZINC001202190295 983592726 /nfs/dbraw/zinc/59/27/26/983592726.db2.gz NOAQXSRFJVFOON-KBPBESRZSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@@H]21 ZINC001202190295 983592729 /nfs/dbraw/zinc/59/27/29/983592729.db2.gz NOAQXSRFJVFOON-KBPBESRZSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]21 ZINC001202190295 983592732 /nfs/dbraw/zinc/59/27/32/983592732.db2.gz NOAQXSRFJVFOON-KBPBESRZSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001202190299 983594885 /nfs/dbraw/zinc/59/48/85/983594885.db2.gz NOAQXSRFJVFOON-UONOGXRCSA-N 2 2 222.376 2.203 20 0 BEADLP CC(C)OCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172441823 974802922 /nfs/dbraw/zinc/80/29/22/974802922.db2.gz YXOZFLPNEUYTQE-CYBMUJFWSA-N 2 2 242.407 2.216 20 0 BEADLP CC(C)OCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172441823 974802926 /nfs/dbraw/zinc/80/29/26/974802926.db2.gz YXOZFLPNEUYTQE-CYBMUJFWSA-N 2 2 242.407 2.216 20 0 BEADLP Nc1[nH+]cccc1-c1ccc(C2([NH3+])CC2)cc1 ZINC001243476353 970771095 /nfs/dbraw/zinc/77/10/95/970771095.db2.gz PZSYWQQXUUJMJN-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256407951 970811887 /nfs/dbraw/zinc/81/18/87/970811887.db2.gz SKGZWINCOPHCIF-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256407951 970811890 /nfs/dbraw/zinc/81/18/90/970811890.db2.gz SKGZWINCOPHCIF-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256407957 970813077 /nfs/dbraw/zinc/81/30/77/970813077.db2.gz SKGZWINCOPHCIF-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256407957 970813079 /nfs/dbraw/zinc/81/30/79/970813079.db2.gz SKGZWINCOPHCIF-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256410561 970818848 /nfs/dbraw/zinc/81/88/48/970818848.db2.gz VMRDWIWWARGPHB-ZDUSSCGKSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@@H](Cc1ccccn1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256410561 970818849 /nfs/dbraw/zinc/81/88/49/970818849.db2.gz VMRDWIWWARGPHB-ZDUSSCGKSA-N 2 2 247.386 2.039 20 0 BEADLP CC(=O)C(C)(C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256555308 970859815 /nfs/dbraw/zinc/85/98/15/970859815.db2.gz WGJATQDSKOOGTR-UHFFFAOYSA-N 2 2 240.391 2.207 20 0 BEADLP C[N@H+](CCF)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577656 970866595 /nfs/dbraw/zinc/86/65/95/970866595.db2.gz OXGDTCJFNRMVKM-UHFFFAOYSA-N 2 2 216.344 2.151 20 0 BEADLP C[N@@H+](CCF)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577656 970866597 /nfs/dbraw/zinc/86/65/97/970866597.db2.gz OXGDTCJFNRMVKM-UHFFFAOYSA-N 2 2 216.344 2.151 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001256718831 970937621 /nfs/dbraw/zinc/93/76/21/970937621.db2.gz LQXNKTVBENONKX-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001256718831 970937627 /nfs/dbraw/zinc/93/76/27/970937627.db2.gz LQXNKTVBENONKX-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1cc(C)c(C)c(NCC[N@H+](C)CC[NH3+])c1C ZINC001170502984 971002866 /nfs/dbraw/zinc/00/28/66/971002866.db2.gz XVNTWXWTUKZTGY-UHFFFAOYSA-N 2 2 249.402 2.223 20 0 BEADLP Cc1cc(C)c(C)c(NCC[N@@H+](C)CC[NH3+])c1C ZINC001170502984 971002877 /nfs/dbraw/zinc/00/28/77/971002877.db2.gz XVNTWXWTUKZTGY-UHFFFAOYSA-N 2 2 249.402 2.223 20 0 BEADLP C[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000403679390 971010060 /nfs/dbraw/zinc/01/00/60/971010060.db2.gz WEVQATLSUARNKW-RKDXNWHRSA-N 2 2 237.174 2.222 20 0 BEADLP C[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000403679390 971010074 /nfs/dbraw/zinc/01/00/74/971010074.db2.gz WEVQATLSUARNKW-RKDXNWHRSA-N 2 2 237.174 2.222 20 0 BEADLP C[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000403679387 971010836 /nfs/dbraw/zinc/01/08/36/971010836.db2.gz WEVQATLSUARNKW-BDAKNGLRSA-N 2 2 237.174 2.222 20 0 BEADLP C[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000403679387 971010847 /nfs/dbraw/zinc/01/08/47/971010847.db2.gz WEVQATLSUARNKW-BDAKNGLRSA-N 2 2 237.174 2.222 20 0 BEADLP Cn1c[nH+]c2cc(NC3=CC[N@H+](C)CC3)ccc21 ZINC001208857656 1169510555 /nfs/dbraw/zinc/51/05/55/1169510555.db2.gz NSWABQAKUAJDQR-UHFFFAOYSA-N 2 2 242.326 2.205 20 0 BEADLP Cn1c[nH+]c2cc(NC3=CC[N@@H+](C)CC3)ccc21 ZINC001208857656 1169510563 /nfs/dbraw/zinc/51/05/63/1169510563.db2.gz NSWABQAKUAJDQR-UHFFFAOYSA-N 2 2 242.326 2.205 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257073658 971089305 /nfs/dbraw/zinc/08/93/05/971089305.db2.gz RDFLNFUPEFVHIR-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257073658 971089309 /nfs/dbraw/zinc/08/93/09/971089309.db2.gz RDFLNFUPEFVHIR-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](CC)n1c[nH+]c(C)c1CC[NH3+] ZINC001257244250 971136694 /nfs/dbraw/zinc/13/66/94/971136694.db2.gz FSOYZELHBYKIEJ-LLVKDONJSA-N 2 2 209.337 2.444 20 0 BEADLP CCC(CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257303968 971191618 /nfs/dbraw/zinc/19/16/18/971191618.db2.gz WAPTUQXMKHOENY-YPMHNXCESA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257303968 971191622 /nfs/dbraw/zinc/19/16/22/971191622.db2.gz WAPTUQXMKHOENY-YPMHNXCESA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001257303968 971191626 /nfs/dbraw/zinc/19/16/26/971191626.db2.gz WAPTUQXMKHOENY-YPMHNXCESA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001257303968 971191631 /nfs/dbraw/zinc/19/16/31/971191631.db2.gz WAPTUQXMKHOENY-YPMHNXCESA-N 2 2 210.365 2.201 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715001547 974013850 /nfs/dbraw/zinc/01/38/50/974013850.db2.gz YZLPONSUFXCPPN-ZJUUUORDSA-N 2 2 249.185 2.379 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405835615 971310635 /nfs/dbraw/zinc/31/06/35/971310635.db2.gz HAJOJXWIDKJQSF-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405835615 971310646 /nfs/dbraw/zinc/31/06/46/971310646.db2.gz HAJOJXWIDKJQSF-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)s1 ZINC000405828801 971310754 /nfs/dbraw/zinc/31/07/54/971310754.db2.gz DXCXZKCVVGIAOZ-LBPRGKRZSA-N 2 2 224.373 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)s1 ZINC000405828801 971310760 /nfs/dbraw/zinc/31/07/60/971310760.db2.gz DXCXZKCVVGIAOZ-LBPRGKRZSA-N 2 2 224.373 2.234 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000405817618 971312225 /nfs/dbraw/zinc/31/22/25/971312225.db2.gz JABUDYOTYXQMGM-HNNXBMFYSA-N 2 2 230.355 2.098 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000405817618 971312238 /nfs/dbraw/zinc/31/22/38/971312238.db2.gz JABUDYOTYXQMGM-HNNXBMFYSA-N 2 2 230.355 2.098 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000405868443 971314786 /nfs/dbraw/zinc/31/47/86/971314786.db2.gz HASCWRQHANHTNF-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000405868443 971314788 /nfs/dbraw/zinc/31/47/88/971314788.db2.gz HASCWRQHANHTNF-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000405865243 971314965 /nfs/dbraw/zinc/31/49/65/971314965.db2.gz GBJKWTLUDCXPAR-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000405865243 971314971 /nfs/dbraw/zinc/31/49/71/971314971.db2.gz GBJKWTLUDCXPAR-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP CCCC[C@H](CC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001257418025 971317239 /nfs/dbraw/zinc/31/72/39/971317239.db2.gz KCOYUYOXVQNJFK-ZDUSSCGKSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716377 971634800 /nfs/dbraw/zinc/63/48/00/971634800.db2.gz SQMSWJKCDUJGOP-FQUUOJAGSA-N 2 2 236.403 2.495 20 0 BEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC000407130613 971773968 /nfs/dbraw/zinc/77/39/68/971773968.db2.gz PFHPEKXIJJAKCU-QMMMGPOBSA-N 2 2 237.174 2.283 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172315227 974521966 /nfs/dbraw/zinc/52/19/66/974521966.db2.gz GJIHGYJOLJOBCP-MJBXVCDLSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172315227 974521971 /nfs/dbraw/zinc/52/19/71/974521971.db2.gz GJIHGYJOLJOBCP-MJBXVCDLSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1cc(N2CCC([NH3+])CC2)[nH+]c2ccccc12 ZINC000310762980 971982676 /nfs/dbraw/zinc/98/26/76/971982676.db2.gz KWKUMEYJZCXCIA-UHFFFAOYSA-N 2 2 241.338 2.471 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CCC[N@@H+](C)C1 ZINC001241571349 1169731022 /nfs/dbraw/zinc/73/10/22/1169731022.db2.gz XZYRKUBWPCTHRC-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CCC[N@H+](C)C1 ZINC001241571349 1169731029 /nfs/dbraw/zinc/73/10/29/1169731029.db2.gz XZYRKUBWPCTHRC-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC001209424656 957437331 /nfs/dbraw/zinc/43/73/31/957437331.db2.gz ATZSDPCQQQWQSJ-KWCYVHTRSA-N 2 2 246.354 2.499 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC001209424656 957437344 /nfs/dbraw/zinc/43/73/44/957437344.db2.gz ATZSDPCQQQWQSJ-KWCYVHTRSA-N 2 2 246.354 2.499 20 0 BEADLP Cc1ncccc1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246444726 972318056 /nfs/dbraw/zinc/31/80/56/972318056.db2.gz KXVAZUBWOOFJNI-UKRRQHHQSA-N 2 2 245.370 2.183 20 0 BEADLP Cn1c[nH+]cc1Nc1ccc2c(c1)[nH+]cn2C ZINC001211250194 958115804 /nfs/dbraw/zinc/11/58/04/958115804.db2.gz HSIMLGNIHDFPSA-UHFFFAOYSA-N 2 2 227.271 2.050 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399004262 958480717 /nfs/dbraw/zinc/48/07/17/958480717.db2.gz VXSOUWSOVDGRRA-MNOVXSKESA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399226119 958574353 /nfs/dbraw/zinc/57/43/53/958574353.db2.gz NBJXGHVBJFJNMS-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391979 958691915 /nfs/dbraw/zinc/69/19/15/958691915.db2.gz CITUQLBBDGMZRH-WBMJQRKESA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000399391979 958691934 /nfs/dbraw/zinc/69/19/34/958691934.db2.gz CITUQLBBDGMZRH-WBMJQRKESA-N 2 2 244.382 2.487 20 0 BEADLP CCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222190312 972400609 /nfs/dbraw/zinc/40/06/09/972400609.db2.gz AIDGXEPHVUECPM-CYBMUJFWSA-N 2 2 210.365 2.395 20 0 BEADLP CCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222190312 972400616 /nfs/dbraw/zinc/40/06/16/972400616.db2.gz AIDGXEPHVUECPM-CYBMUJFWSA-N 2 2 210.365 2.395 20 0 BEADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000300332714 959175482 /nfs/dbraw/zinc/17/54/82/959175482.db2.gz HQYGAKZJMXAIFY-GWCFXTLKSA-N 2 2 238.762 2.304 20 0 BEADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000300332714 959175495 /nfs/dbraw/zinc/17/54/95/959175495.db2.gz HQYGAKZJMXAIFY-GWCFXTLKSA-N 2 2 238.762 2.304 20 0 BEADLP Oc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237959 972419685 /nfs/dbraw/zinc/41/96/85/972419685.db2.gz XWFJFQAJKHZJLW-OAHLLOKOSA-N 2 2 246.354 2.110 20 0 BEADLP Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237959 972419695 /nfs/dbraw/zinc/41/96/95/972419695.db2.gz XWFJFQAJKHZJLW-OAHLLOKOSA-N 2 2 246.354 2.110 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693849153 959434842 /nfs/dbraw/zinc/43/48/42/959434842.db2.gz AEQYFAGYPLYYRP-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP CCCO[C@H]1CC[N@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC000724777828 959447162 /nfs/dbraw/zinc/44/71/62/959447162.db2.gz IZBZYRYJZXHIDD-LBPRGKRZSA-N 2 2 237.347 2.027 20 0 BEADLP CCCO[C@H]1CC[N@@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC000724777828 959447182 /nfs/dbraw/zinc/44/71/82/959447182.db2.gz IZBZYRYJZXHIDD-LBPRGKRZSA-N 2 2 237.347 2.027 20 0 BEADLP CC1=CC[C@H](CC[NH+]2CC3(C[NH2+]C3)C2)C1(C)C ZINC001222461150 972493952 /nfs/dbraw/zinc/49/39/52/972493952.db2.gz NGAJNIJNUDXGMV-CYBMUJFWSA-N 2 2 234.387 2.274 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1(Cl)CC1 ZINC000695657775 960327685 /nfs/dbraw/zinc/32/76/85/960327685.db2.gz JECIBMYDABIMSG-NXEZZACHSA-N 2 2 227.739 2.021 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(Cl)CC1 ZINC000695655402 960331775 /nfs/dbraw/zinc/33/17/75/960331775.db2.gz MIBVZSDEYFCKMJ-QJPTWQEYSA-N 2 2 242.794 2.363 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1(Cl)CC1 ZINC000695655402 960331789 /nfs/dbraw/zinc/33/17/89/960331789.db2.gz MIBVZSDEYFCKMJ-QJPTWQEYSA-N 2 2 242.794 2.363 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000692622678 960338662 /nfs/dbraw/zinc/33/86/62/960338662.db2.gz MNRGCPRRQOZZMC-VXGQWTEUSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000692622678 960338673 /nfs/dbraw/zinc/33/86/73/960338673.db2.gz MNRGCPRRQOZZMC-VXGQWTEUSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H](C)O1 ZINC001140799383 960583391 /nfs/dbraw/zinc/58/33/91/960583391.db2.gz BNWNOGQAUYKBFQ-GHMZBOCLSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@@H]1COCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802495 960586821 /nfs/dbraw/zinc/58/68/21/960586821.db2.gz WZHCSGDNBHXCTG-NSHDSACASA-N 2 2 245.326 2.031 20 0 BEADLP C[C@@H]1COCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802495 960586825 /nfs/dbraw/zinc/58/68/25/960586825.db2.gz WZHCSGDNBHXCTG-NSHDSACASA-N 2 2 245.326 2.031 20 0 BEADLP Cc1c[nH]c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1C ZINC001140862118 960641244 /nfs/dbraw/zinc/64/12/44/960641244.db2.gz WCPNROIERYCSCE-UKRRQHHQSA-N 2 2 247.386 2.015 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1C ZINC001140862118 960641249 /nfs/dbraw/zinc/64/12/49/960641249.db2.gz WCPNROIERYCSCE-UKRRQHHQSA-N 2 2 247.386 2.015 20 0 BEADLP c1cn2cc(C[NH2+][C@H]3C[C@H]4C[C@H]4C3)ccc2[nH+]1 ZINC001167923433 961986995 /nfs/dbraw/zinc/98/69/95/961986995.db2.gz DCRAKIXZOSCWSK-ITGUQSILSA-N 2 2 227.311 2.222 20 0 BEADLP CO[C@H](C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924908955 962292697 /nfs/dbraw/zinc/29/26/97/962292697.db2.gz JMXZSZPIDZXBNO-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H](C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924908955 962292732 /nfs/dbraw/zinc/29/27/32/962292732.db2.gz JMXZSZPIDZXBNO-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH+](C)C)Nc1ccc2c([nH+]1)CCCC2 ZINC000712351089 962867345 /nfs/dbraw/zinc/86/73/45/962867345.db2.gz FMSSKKFGXRBICE-NSHDSACASA-N 2 2 233.359 2.322 20 0 BEADLP C[C@H](C[NH+](C)C)Nc1ccc2c([nH+]1)CCCC2 ZINC000712351086 962869298 /nfs/dbraw/zinc/86/92/98/962869298.db2.gz FMSSKKFGXRBICE-LLVKDONJSA-N 2 2 233.359 2.322 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001204770331 963398836 /nfs/dbraw/zinc/39/88/36/963398836.db2.gz DJFXTRMBIKLNLG-AWEZNQCLSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001204770331 963398841 /nfs/dbraw/zinc/39/88/41/963398841.db2.gz DJFXTRMBIKLNLG-AWEZNQCLSA-N 2 2 229.327 2.091 20 0 BEADLP COc1cc[nH+]c(N2CC[C@H]([N@H+](C)C(C)C)C2)c1 ZINC001157002487 963508425 /nfs/dbraw/zinc/50/84/25/963508425.db2.gz ZHPCLLPUZNEDSX-LBPRGKRZSA-N 2 2 249.358 2.009 20 0 BEADLP COc1cc[nH+]c(N2CC[C@H]([N@@H+](C)C(C)C)C2)c1 ZINC001157002487 963508429 /nfs/dbraw/zinc/50/84/29/963508429.db2.gz ZHPCLLPUZNEDSX-LBPRGKRZSA-N 2 2 249.358 2.009 20 0 BEADLP Cn1ccc2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc21 ZINC001204782807 963540828 /nfs/dbraw/zinc/54/08/28/963540828.db2.gz JRUKGMUJKSIRKC-HNNXBMFYSA-N 2 2 243.354 2.101 20 0 BEADLP Cn1ccc2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc21 ZINC001204782807 963540835 /nfs/dbraw/zinc/54/08/35/963540835.db2.gz JRUKGMUJKSIRKC-HNNXBMFYSA-N 2 2 243.354 2.101 20 0 BEADLP Cc1cc(NC2(C)CC[NH2+]CC2)nc(C2CC2)[nH+]1 ZINC001157402951 963598718 /nfs/dbraw/zinc/59/87/18/963598718.db2.gz KBEGHNLGOJATNV-UHFFFAOYSA-N 2 2 246.358 2.216 20 0 BEADLP CCCc1cc(NC2C[NH+](C(C)C)C2)nc(C)[nH+]1 ZINC001157532117 963646355 /nfs/dbraw/zinc/64/63/55/963646355.db2.gz SKMOEFNGEAXJRR-UHFFFAOYSA-N 2 2 248.374 2.242 20 0 BEADLP [NH3+]C[C@@]1(F)CCN(c2[nH+]ccc3ccccc32)C1 ZINC001157808413 963730197 /nfs/dbraw/zinc/73/01/97/963730197.db2.gz GGDSFAGRUJLGCJ-AWEZNQCLSA-N 2 2 245.301 2.112 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001204810695 963805243 /nfs/dbraw/zinc/80/52/43/963805243.db2.gz YNTFNISVJMZPLN-CQSZACIVSA-N 2 2 247.317 2.230 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001204810695 963805247 /nfs/dbraw/zinc/80/52/47/963805247.db2.gz YNTFNISVJMZPLN-CQSZACIVSA-N 2 2 247.317 2.230 20 0 BEADLP C[C@@H]1C[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CCO1 ZINC001168135127 963826793 /nfs/dbraw/zinc/82/67/93/963826793.db2.gz FGAIMTMPGVTPBC-AGIUHOORSA-N 2 2 249.358 2.090 20 0 BEADLP Cc1cc(NC2(C)CC[NH2+]CC2)[nH+]c2cc[nH]c21 ZINC001168187395 963946524 /nfs/dbraw/zinc/94/65/24/963946524.db2.gz AOPQPPNKVWSQFP-UHFFFAOYSA-N 2 2 244.342 2.425 20 0 BEADLP CC1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001168196632 963963635 /nfs/dbraw/zinc/96/36/35/963963635.db2.gz IFKHBBYVQXHRGH-UHFFFAOYSA-N 2 2 207.321 2.136 20 0 BEADLP CC(C)c1ccc(N2CCC3(C[NH2+]C3)CC2)[nH+]c1 ZINC001159042937 963980434 /nfs/dbraw/zinc/98/04/34/963980434.db2.gz OZSVOHXTTSZBMU-UHFFFAOYSA-N 2 2 245.370 2.395 20 0 BEADLP COc1cc(NC=CC2CC[NH2+]CC2)c(C)c[nH+]1 ZINC001159416300 964076475 /nfs/dbraw/zinc/07/64/75/964076475.db2.gz RYBUAYDRBZKJDE-VMPITWQZSA-N 2 2 247.342 2.324 20 0 BEADLP Cc1cc(NCC[C@@H](C)[NH3+])nc(C(C)(C)C)[nH+]1 ZINC001159778220 964191196 /nfs/dbraw/zinc/19/11/96/964191196.db2.gz HRYYLEUQPNMWTA-SECBINFHSA-N 2 2 236.363 2.232 20 0 BEADLP Cc1c[nH+]c(Nc2ccc(C[NH3+])nc2)cc1C ZINC001160404852 964300637 /nfs/dbraw/zinc/30/06/37/964300637.db2.gz CGDCWPSYKGNFJW-UHFFFAOYSA-N 2 2 228.299 2.296 20 0 BEADLP Cc1cc[nH+]c(NCCCn2cc[nH+]c2)c1C ZINC001161682175 964683720 /nfs/dbraw/zinc/68/37/20/964683720.db2.gz IWYIFOZBIFFKEY-UHFFFAOYSA-N 2 2 230.315 2.397 20 0 BEADLP C[C@H]([NH3+])c1ccc(NCCCn2cc[nH+]c2)cc1 ZINC001161688225 964688871 /nfs/dbraw/zinc/68/88/71/964688871.db2.gz LWDHGXJSOIZPFE-LBPRGKRZSA-N 2 2 244.342 2.405 20 0 BEADLP CC[N@H+]1CC=C(c2c[nH+]c(N)c(C)c2)CC1 ZINC001161695726 964694479 /nfs/dbraw/zinc/69/44/79/964694479.db2.gz VIWJRVZYIPTCBX-UHFFFAOYSA-N 2 2 217.316 2.081 20 0 BEADLP CC[N@@H+]1CC=C(c2c[nH+]c(N)c(C)c2)CC1 ZINC001161695726 964694485 /nfs/dbraw/zinc/69/44/85/964694485.db2.gz VIWJRVZYIPTCBX-UHFFFAOYSA-N 2 2 217.316 2.081 20 0 BEADLP C[NH+](C)CCCCNc1ccn2cc[nH+]c2c1 ZINC001161730985 964720051 /nfs/dbraw/zinc/72/00/51/964720051.db2.gz NNIWLWBFWGPLLH-UHFFFAOYSA-N 2 2 232.331 2.088 20 0 BEADLP Cc1cc[nH+]cc1NCCCC[NH+](C)C ZINC001161731115 964720238 /nfs/dbraw/zinc/72/02/38/964720238.db2.gz PKWFAAHIPKDRKR-UHFFFAOYSA-N 2 2 207.321 2.144 20 0 BEADLP CCOc1cc[nH+]c(NC2C[NH+](C(C)(C)C)C2)c1 ZINC001162221134 964878845 /nfs/dbraw/zinc/87/88/45/964878845.db2.gz IUOFPQCCYUVAHJ-UHFFFAOYSA-N 2 2 249.358 2.375 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371898 964949622 /nfs/dbraw/zinc/94/96/22/964949622.db2.gz KCNQHGOKRGPVHN-YPMHNXCESA-N 2 2 240.366 2.293 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168371898 964949628 /nfs/dbraw/zinc/94/96/28/964949628.db2.gz KCNQHGOKRGPVHN-YPMHNXCESA-N 2 2 240.366 2.293 20 0 BEADLP Cc1cc[nH+]cc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162457388 964984743 /nfs/dbraw/zinc/98/47/43/964984743.db2.gz OKFMZSDRVVXUCK-STQMWFEESA-N 2 2 233.359 2.438 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001162642089 965085687 /nfs/dbraw/zinc/08/56/87/965085687.db2.gz KGERSCSVTGTSHU-HFMOYCKXSA-N 2 2 217.263 2.069 20 0 BEADLP CCOc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205069019 965427291 /nfs/dbraw/zinc/42/72/91/965427291.db2.gz RXGBCKIOWWRIQQ-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP CCOc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205069019 965427302 /nfs/dbraw/zinc/42/73/02/965427302.db2.gz RXGBCKIOWWRIQQ-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP C[C@H](Cc1cccc(F)c1)n1cc[nH+]c1CC[NH3+] ZINC001168455667 965762285 /nfs/dbraw/zinc/76/22/85/965762285.db2.gz HVVOZUNXWWOMJY-LLVKDONJSA-N 2 2 247.317 2.327 20 0 BEADLP C[N@@H+]1CCC[C@H](CCNc2cccc[nH+]2)C1 ZINC001165253037 966007000 /nfs/dbraw/zinc/00/70/00/966007000.db2.gz LKCNUIIRAQDBIE-GFCCVEGCSA-N 2 2 219.332 2.225 20 0 BEADLP C[N@H+]1CCC[C@H](CCNc2cccc[nH+]2)C1 ZINC001165253037 966007013 /nfs/dbraw/zinc/00/70/13/966007013.db2.gz LKCNUIIRAQDBIE-GFCCVEGCSA-N 2 2 219.332 2.225 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H]([NH3+])C3)c2c1 ZINC001236169603 966286316 /nfs/dbraw/zinc/28/63/16/966286316.db2.gz LITAOYQSWNJTSD-LBPRGKRZSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]([NH3+])C3)c2c1 ZINC001236169603 966286332 /nfs/dbraw/zinc/28/63/32/966286332.db2.gz LITAOYQSWNJTSD-LBPRGKRZSA-N 2 2 229.327 2.009 20 0 BEADLP CCCc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236170910 966287818 /nfs/dbraw/zinc/28/78/18/966287818.db2.gz MLRQZSXKMJXJPF-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCCc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236170910 966287831 /nfs/dbraw/zinc/28/78/31/966287831.db2.gz MLRQZSXKMJXJPF-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236172522 966292257 /nfs/dbraw/zinc/29/22/57/966292257.db2.gz CTJQVVRXOCJIOF-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236172522 966292269 /nfs/dbraw/zinc/29/22/69/966292269.db2.gz CTJQVVRXOCJIOF-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236172525 966293544 /nfs/dbraw/zinc/29/35/44/966293544.db2.gz CTJQVVRXOCJIOF-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001236172525 966293558 /nfs/dbraw/zinc/29/35/58/966293558.db2.gz CTJQVVRXOCJIOF-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)c1C ZINC001236242753 966318043 /nfs/dbraw/zinc/31/80/43/966318043.db2.gz IYDCKDGKTQBYJB-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)c1C ZINC001236242753 966318044 /nfs/dbraw/zinc/31/80/44/966318044.db2.gz IYDCKDGKTQBYJB-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-n2cccc2)cc1 ZINC001236900089 966612379 /nfs/dbraw/zinc/61/23/79/966612379.db2.gz OKPGKROHDGFXLI-ZDUSSCGKSA-N 2 2 243.354 2.256 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-n2cccc2)cc1 ZINC001236900089 966612380 /nfs/dbraw/zinc/61/23/80/966612380.db2.gz OKPGKROHDGFXLI-ZDUSSCGKSA-N 2 2 243.354 2.256 20 0 BEADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC001203359785 966613842 /nfs/dbraw/zinc/61/38/42/966613842.db2.gz HFEPIJIXTKVACM-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC001203359785 966613853 /nfs/dbraw/zinc/61/38/53/966613853.db2.gz HFEPIJIXTKVACM-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC001203359785 966613863 /nfs/dbraw/zinc/61/38/63/966613863.db2.gz HFEPIJIXTKVACM-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC001203359785 966613870 /nfs/dbraw/zinc/61/38/70/966613870.db2.gz HFEPIJIXTKVACM-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2occc21 ZINC001205197624 966814443 /nfs/dbraw/zinc/81/44/43/966814443.db2.gz WEWAOBBGFMEXLP-ZWNOBZJWSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2occc21 ZINC001205197624 966814446 /nfs/dbraw/zinc/81/44/46/966814446.db2.gz WEWAOBBGFMEXLP-ZWNOBZJWSA-N 2 2 230.311 2.354 20 0 BEADLP CCC1(Nc2ccc([NH+](C)C)c(C)c2)C[NH2+]C1 ZINC001168581907 966920927 /nfs/dbraw/zinc/92/09/27/966920927.db2.gz APRCUSVYKQWACS-UHFFFAOYSA-N 2 2 233.359 2.225 20 0 BEADLP COc1ccccc1CCC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204763594 967154357 /nfs/dbraw/zinc/15/43/57/967154357.db2.gz MPXLXWWXRANOMK-HNNXBMFYSA-N 2 2 248.370 2.051 20 0 BEADLP COc1ccccc1CCC[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204763594 967154361 /nfs/dbraw/zinc/15/43/61/967154361.db2.gz MPXLXWWXRANOMK-HNNXBMFYSA-N 2 2 248.370 2.051 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3ncccc23)C1 ZINC001204771055 967161629 /nfs/dbraw/zinc/16/16/29/967161629.db2.gz MOOYUIZXWVGJHU-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001204771055 967161636 /nfs/dbraw/zinc/16/16/36/967161636.db2.gz MOOYUIZXWVGJHU-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2c(c1)COC2 ZINC001205064607 967322311 /nfs/dbraw/zinc/32/23/11/967322311.db2.gz SGGGVGPNQBXGHD-NHYWBVRUSA-N 2 2 246.354 2.028 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2c(c1)COC2 ZINC001205064607 967322327 /nfs/dbraw/zinc/32/23/27/967322327.db2.gz SGGGVGPNQBXGHD-NHYWBVRUSA-N 2 2 246.354 2.028 20 0 BEADLP Cc1c(O)cccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075316 967328953 /nfs/dbraw/zinc/32/89/53/967328953.db2.gz HXKRCHYWMMYYQU-GWCFXTLKSA-N 2 2 234.343 2.012 20 0 BEADLP Cc1c(O)cccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075316 967328967 /nfs/dbraw/zinc/32/89/67/967328967.db2.gz HXKRCHYWMMYYQU-GWCFXTLKSA-N 2 2 234.343 2.012 20 0 BEADLP COc1c(C)cccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205087345 967332184 /nfs/dbraw/zinc/33/21/84/967332184.db2.gz CHOXXRFZIAXKDG-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP COc1c(C)cccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205087345 967332198 /nfs/dbraw/zinc/33/21/98/967332198.db2.gz CHOXXRFZIAXKDG-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cncc(Cl)c2)CC1 ZINC001205101714 967340925 /nfs/dbraw/zinc/34/09/25/967340925.db2.gz JTMXNLGWVZDZQB-LBPRGKRZSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)CC1 ZINC001205101714 967340938 /nfs/dbraw/zinc/34/09/38/967340938.db2.gz JTMXNLGWVZDZQB-LBPRGKRZSA-N 2 2 239.750 2.048 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205190945 967419604 /nfs/dbraw/zinc/41/96/04/967419604.db2.gz SJIXCGUORGVVIR-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205190945 967419612 /nfs/dbraw/zinc/41/96/12/967419612.db2.gz SJIXCGUORGVVIR-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP C[C@@H](C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+])C(F)(F)F ZINC001205807258 967829048 /nfs/dbraw/zinc/82/90/48/967829048.db2.gz ZHRGHUAGFCTNRX-KXUCPTDWSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H](C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+])C(F)(F)F ZINC001205807258 967829053 /nfs/dbraw/zinc/82/90/53/967829053.db2.gz ZHRGHUAGFCTNRX-KXUCPTDWSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccsc2)C1 ZINC001205806659 967829742 /nfs/dbraw/zinc/82/97/42/967829742.db2.gz VDQDJFJEYQOZRT-JQWIXIFHSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccsc2)C1 ZINC001205806659 967829744 /nfs/dbraw/zinc/82/97/44/967829744.db2.gz VDQDJFJEYQOZRT-JQWIXIFHSA-N 2 2 224.373 2.307 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1C ZINC001205829328 967842238 /nfs/dbraw/zinc/84/22/38/967842238.db2.gz OMPFRTBTVQNHQY-GWCFXTLKSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1c[nH]c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1C ZINC001205829328 967842242 /nfs/dbraw/zinc/84/22/42/967842242.db2.gz OMPFRTBTVQNHQY-GWCFXTLKSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1c(O)cccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205828146 967843266 /nfs/dbraw/zinc/84/32/66/967843266.db2.gz JRNXMHHYXAYIAE-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1c(O)cccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205828146 967843270 /nfs/dbraw/zinc/84/32/70/967843270.db2.gz JRNXMHHYXAYIAE-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(C)n1 ZINC001205845371 967852284 /nfs/dbraw/zinc/85/22/84/967852284.db2.gz ZVLJZYFJCLEQSS-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc(C)n1 ZINC001205845371 967852287 /nfs/dbraw/zinc/85/22/87/967852287.db2.gz ZVLJZYFJCLEQSS-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC2OC=CC2=S)C1 ZINC001205854365 967857559 /nfs/dbraw/zinc/85/75/59/967857559.db2.gz KADIFXBQFYAQIJ-ZJUUUORDSA-N 2 2 240.372 2.128 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC2OC=CC2=S)C1 ZINC001205854365 967857560 /nfs/dbraw/zinc/85/75/60/967857560.db2.gz KADIFXBQFYAQIJ-ZJUUUORDSA-N 2 2 240.372 2.128 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711191596 967996991 /nfs/dbraw/zinc/99/69/91/967996991.db2.gz GNCYHNLQTYQHFR-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](CCCc2ccccc2F)C[C@H]1[NH3+] ZINC001206049043 968012105 /nfs/dbraw/zinc/01/21/05/968012105.db2.gz HNJCBMVGUAJSHK-BXUZGUMPSA-N 2 2 236.334 2.037 20 0 BEADLP C[C@@H]1C[N@@H+](CCCc2ccccc2F)C[C@H]1[NH3+] ZINC001206049043 968012117 /nfs/dbraw/zinc/01/21/17/968012117.db2.gz HNJCBMVGUAJSHK-BXUZGUMPSA-N 2 2 236.334 2.037 20 0 BEADLP COc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC001206065149 968032346 /nfs/dbraw/zinc/03/23/46/968032346.db2.gz OHSVUTFTTJTBCP-IUODEOHRSA-N 2 2 248.370 2.091 20 0 BEADLP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC001206065149 968032359 /nfs/dbraw/zinc/03/23/59/968032359.db2.gz OHSVUTFTTJTBCP-IUODEOHRSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206729785 968444431 /nfs/dbraw/zinc/44/44/31/968444431.db2.gz QNKIZWNJFPSVRX-UHFFFAOYSA-N 2 2 245.330 2.242 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2cc3cccnc3s2)C1 ZINC001206730079 968445426 /nfs/dbraw/zinc/44/54/26/968445426.db2.gz OMLOQHBZJFUNLL-UHFFFAOYSA-N 2 2 247.367 2.077 20 0 BEADLP Cc1cc(C[NH+]2CC(C)(C[NH3+])C2)sc1C ZINC001206736852 968448839 /nfs/dbraw/zinc/44/88/39/968448839.db2.gz IKQLKZPLPPUCKJ-UHFFFAOYSA-N 2 2 224.373 2.146 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)n1C ZINC001206793244 968479248 /nfs/dbraw/zinc/47/92/48/968479248.db2.gz TZVKVIZXYKBWCR-CHWSQXEVSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)n1C ZINC001206793244 968479252 /nfs/dbraw/zinc/47/92/52/968479252.db2.gz TZVKVIZXYKBWCR-CHWSQXEVSA-N 2 2 233.359 2.351 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822128558 968506339 /nfs/dbraw/zinc/50/63/39/968506339.db2.gz NUAHMNOZOHSELU-WOPDTQHZSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000822128558 968506346 /nfs/dbraw/zinc/50/63/46/968506346.db2.gz NUAHMNOZOHSELU-WOPDTQHZSA-N 2 2 210.365 2.247 20 0 BEADLP c1cn(-c2ccc(C3=CCC[NH2+]C3)cc2)c[nH+]1 ZINC001240664624 968629687 /nfs/dbraw/zinc/62/96/87/968629687.db2.gz MPDIKAUEIZBRFZ-UHFFFAOYSA-N 2 2 225.295 2.249 20 0 BEADLP COc1cc(C)c[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001154985251 968840359 /nfs/dbraw/zinc/84/03/59/968840359.db2.gz BRQSQHQCGHIDBS-MNOVXSKESA-N 2 2 235.331 2.080 20 0 BEADLP c1cnc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2c1 ZINC000720471606 969255357 /nfs/dbraw/zinc/25/53/57/969255357.db2.gz MSKYZLHHACCQOL-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@@H](C)C(F)(F)F)C2 ZINC001208895911 969279887 /nfs/dbraw/zinc/27/98/87/969279887.db2.gz OUQOORCIQPKRLN-MRVPVSSYSA-N 2 2 247.264 2.206 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C[C@@H](C)C(F)(F)F)C2 ZINC001208895911 969279893 /nfs/dbraw/zinc/27/98/93/969279893.db2.gz OUQOORCIQPKRLN-MRVPVSSYSA-N 2 2 247.264 2.206 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090147 969407155 /nfs/dbraw/zinc/40/71/55/969407155.db2.gz HNSATVMQZKMAAE-XYYAHUGASA-N 2 2 249.358 2.006 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169090147 969407160 /nfs/dbraw/zinc/40/71/60/969407160.db2.gz HNSATVMQZKMAAE-XYYAHUGASA-N 2 2 249.358 2.006 20 0 BEADLP C[N@H+](Cc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126804 969432207 /nfs/dbraw/zinc/43/22/07/969432207.db2.gz XSBGOXBARCNYCK-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@@H+](Cc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126804 969432213 /nfs/dbraw/zinc/43/22/13/969432213.db2.gz XSBGOXBARCNYCK-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126804 969432218 /nfs/dbraw/zinc/43/22/18/969432218.db2.gz XSBGOXBARCNYCK-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1ccccn1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126804 969432220 /nfs/dbraw/zinc/43/22/20/969432220.db2.gz XSBGOXBARCNYCK-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)CCC(C)(C)OC ZINC001209409371 969477424 /nfs/dbraw/zinc/47/74/24/969477424.db2.gz IGFALHBJCJGVHI-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)CCC(C)(C)OC ZINC001209409371 969477428 /nfs/dbraw/zinc/47/74/28/969477428.db2.gz IGFALHBJCJGVHI-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CC(C)[N@H+](C[C@@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209427601 969499229 /nfs/dbraw/zinc/49/92/29/969499229.db2.gz POUKDTVIHKBEIZ-OLZOCXBDSA-N 2 2 224.392 2.447 20 0 BEADLP CC(C)[N@@H+](C[C@@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209427601 969499235 /nfs/dbraw/zinc/49/92/35/969499235.db2.gz POUKDTVIHKBEIZ-OLZOCXBDSA-N 2 2 224.392 2.447 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209448167 969518892 /nfs/dbraw/zinc/51/88/92/969518892.db2.gz OQLNTDKKNFXBBV-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209448167 969518904 /nfs/dbraw/zinc/51/89/04/969518904.db2.gz OQLNTDKKNFXBBV-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP Nc1cc[nH+]cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001209727821 969578671 /nfs/dbraw/zinc/57/86/71/969578671.db2.gz NOQDFRLVVTYPKM-UHFFFAOYSA-N 2 2 241.285 2.115 20 0 BEADLP Nc1cc[nH+]cc1C[N@H+]1CCCC(F)(F)CC1 ZINC001209727821 969578676 /nfs/dbraw/zinc/57/86/76/969578676.db2.gz NOQDFRLVVTYPKM-UHFFFAOYSA-N 2 2 241.285 2.115 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209729476 969590630 /nfs/dbraw/zinc/59/06/30/969590630.db2.gz LMXWCLBOFIDXDZ-LLVKDONJSA-N 2 2 219.332 2.116 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209729476 969590631 /nfs/dbraw/zinc/59/06/31/969590631.db2.gz LMXWCLBOFIDXDZ-LLVKDONJSA-N 2 2 219.332 2.116 20 0 BEADLP C[NH+]1CC(C[NH2+]C2CCc3ccccc3CC2)C1 ZINC001254453330 969642374 /nfs/dbraw/zinc/64/23/74/969642374.db2.gz YQXVNFYPJAEMKB-UHFFFAOYSA-N 2 2 244.382 2.085 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH+]2CCc3occc3C2)CC1 ZINC001254530407 969731180 /nfs/dbraw/zinc/73/11/80/969731180.db2.gz XMGQBUBGSGRHBE-ZDUSSCGKSA-N 2 2 234.343 2.122 20 0 BEADLP C[N@H+]1CCC[C@H]([NH+]2CCc3occc3C2)CC1 ZINC001254530407 969731185 /nfs/dbraw/zinc/73/11/85/969731185.db2.gz XMGQBUBGSGRHBE-ZDUSSCGKSA-N 2 2 234.343 2.122 20 0 BEADLP C[NH+]1CCC[C@H]([N@@H+]2CCc3occc3C2)CC1 ZINC001254530407 969731189 /nfs/dbraw/zinc/73/11/89/969731189.db2.gz XMGQBUBGSGRHBE-ZDUSSCGKSA-N 2 2 234.343 2.122 20 0 BEADLP C[NH+]1CCC[C@H]([N@H+]2CCc3occc3C2)CC1 ZINC001254530407 969731192 /nfs/dbraw/zinc/73/11/92/969731192.db2.gz XMGQBUBGSGRHBE-ZDUSSCGKSA-N 2 2 234.343 2.122 20 0 BEADLP COc1cc(Nc2c[nH+]c(N)cc2C)cc(C)[nH+]1 ZINC001209966145 969731792 /nfs/dbraw/zinc/73/17/92/969731792.db2.gz AVHXAWGAACCGMX-UHFFFAOYSA-N 2 2 244.298 2.428 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254829308 969792420 /nfs/dbraw/zinc/79/24/20/969792420.db2.gz CGYIAFYMFYRXLX-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C1C[C@@H]2C[NH+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254852836 969806553 /nfs/dbraw/zinc/80/65/53/969806553.db2.gz JHPAKWWKHLJDAV-RBSFLKMASA-N 2 2 234.387 2.203 20 0 BEADLP C1CC2(CCCC2)[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254854806 969808640 /nfs/dbraw/zinc/80/86/40/969808640.db2.gz IQVASXMKKHRFLD-CQSZACIVSA-N 2 2 234.387 2.489 20 0 BEADLP C1CC2(CCCC2)[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254854806 969808642 /nfs/dbraw/zinc/80/86/42/969808642.db2.gz IQVASXMKKHRFLD-CQSZACIVSA-N 2 2 234.387 2.489 20 0 BEADLP C[NH2+]Cc1ccc(Nc2[nH+]cccc2N)cc1 ZINC001211127692 970154966 /nfs/dbraw/zinc/15/49/66/970154966.db2.gz UXESWEAQRFCFBM-UHFFFAOYSA-N 2 2 228.299 2.127 20 0 BEADLP Cc1cn2cccc(Nc3c[nH+]cn3C)c2[nH+]1 ZINC001211246064 970189359 /nfs/dbraw/zinc/18/93/59/970189359.db2.gz YNRRXDILZPAOBH-UHFFFAOYSA-N 2 2 227.271 2.120 20 0 BEADLP Cn1c[nH+]cc1Nc1[nH+]c2ccccc2n1C ZINC001211246137 970190820 /nfs/dbraw/zinc/19/08/20/970190820.db2.gz ZOTVODYIUVAWEW-UHFFFAOYSA-N 2 2 227.271 2.050 20 0 BEADLP Cc1cc[nH+]c(C)c1Nc1c[nH+]cn1C ZINC001211246774 970195779 /nfs/dbraw/zinc/19/57/79/970195779.db2.gz QLKXDXWFUOAGGU-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP COc1c[nH+]ccc1Nc1c(C)cc[nH+]c1C ZINC001211260989 970211444 /nfs/dbraw/zinc/21/14/44/970211444.db2.gz YVEJPZZLPMIVCW-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170090792 970235434 /nfs/dbraw/zinc/23/54/34/970235434.db2.gz PHDNCYGJXMRPRN-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170090792 970235440 /nfs/dbraw/zinc/23/54/40/970235440.db2.gz PHDNCYGJXMRPRN-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCN(CCn1cc[nH+]c1)c1cc(C)cc(C)[nH+]1 ZINC001157459554 970329800 /nfs/dbraw/zinc/32/98/00/970329800.db2.gz ACDWVIOQVLHVJA-UHFFFAOYSA-N 2 2 244.342 2.421 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC001170116689 970333631 /nfs/dbraw/zinc/33/36/31/970333631.db2.gz FUNNTVXJSYYRAQ-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC001170116689 970333643 /nfs/dbraw/zinc/33/36/43/970333643.db2.gz FUNNTVXJSYYRAQ-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001170118694 970339537 /nfs/dbraw/zinc/33/95/37/970339537.db2.gz UIBNJFRMXCTKKR-XQQFMLRXSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001170118694 970339552 /nfs/dbraw/zinc/33/95/52/970339552.db2.gz UIBNJFRMXCTKKR-XQQFMLRXSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124231 970366101 /nfs/dbraw/zinc/36/61/01/970366101.db2.gz FVPPQXYIYHLJOA-YPMHNXCESA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124231 970366113 /nfs/dbraw/zinc/36/61/13/970366113.db2.gz FVPPQXYIYHLJOA-YPMHNXCESA-N 2 2 210.365 2.201 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCCCC1=O ZINC001255948337 970566522 /nfs/dbraw/zinc/56/65/22/970566522.db2.gz JWYGIZMCIWPBEA-QWHCGFSZSA-N 2 2 240.391 2.208 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccccn1 ZINC001255940470 970572059 /nfs/dbraw/zinc/57/20/59/970572059.db2.gz ZCGYYEDSJZNQPG-CYBMUJFWSA-N 2 2 235.375 2.292 20 0 BEADLP C[C@@]1(F)CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073235 970640830 /nfs/dbraw/zinc/64/08/30/970640830.db2.gz PJOINQDDOKUURN-CQSZACIVSA-N 2 2 240.366 2.437 20 0 BEADLP C[C@@]1(F)CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073235 970640835 /nfs/dbraw/zinc/64/08/35/970640835.db2.gz PJOINQDDOKUURN-CQSZACIVSA-N 2 2 240.366 2.437 20 0 BEADLP CC[N@H+](C(C)C)C1CC[NH+](C2CC2)CC1 ZINC001256072932 970641033 /nfs/dbraw/zinc/64/10/33/970641033.db2.gz JDWRBMMJWMVNJX-UHFFFAOYSA-N 2 2 210.365 2.344 20 0 BEADLP CC[N@@H+](C(C)C)C1CC[NH+](C2CC2)CC1 ZINC001256072932 970641037 /nfs/dbraw/zinc/64/10/37/970641037.db2.gz JDWRBMMJWMVNJX-UHFFFAOYSA-N 2 2 210.365 2.344 20 0 BEADLP C[C@H]1CCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072517 970642129 /nfs/dbraw/zinc/64/21/29/970642129.db2.gz DFNAICKUJWVNSV-LBPRGKRZSA-N 2 2 222.376 2.488 20 0 BEADLP C[C@]1(F)CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073234 970644077 /nfs/dbraw/zinc/64/40/77/970644077.db2.gz PJOINQDDOKUURN-AWEZNQCLSA-N 2 2 240.366 2.437 20 0 BEADLP C[C@]1(F)CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256073234 970644086 /nfs/dbraw/zinc/64/40/86/970644086.db2.gz PJOINQDDOKUURN-AWEZNQCLSA-N 2 2 240.366 2.437 20 0 BEADLP C(C1CC1)[N@H+](C1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256081828 970649805 /nfs/dbraw/zinc/64/98/05/970649805.db2.gz NGWVHPAFHBCFNZ-UHFFFAOYSA-N 2 2 234.387 2.488 20 0 BEADLP C(C1CC1)[N@@H+](C1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256081828 970649815 /nfs/dbraw/zinc/64/98/15/970649815.db2.gz NGWVHPAFHBCFNZ-UHFFFAOYSA-N 2 2 234.387 2.488 20 0 BEADLP Cc1cccc2c1C[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256202628 970704154 /nfs/dbraw/zinc/70/41/54/970704154.db2.gz JHVCIFUVEOLLGJ-UHFFFAOYSA-N 2 2 230.355 2.405 20 0 BEADLP Cc1cccc2c1C[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256202628 970704166 /nfs/dbraw/zinc/70/41/66/970704166.db2.gz JHVCIFUVEOLLGJ-UHFFFAOYSA-N 2 2 230.355 2.405 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256207220 970709517 /nfs/dbraw/zinc/70/95/17/970709517.db2.gz COHVNYLAQHRVNG-OAHLLOKOSA-N 2 2 245.370 2.313 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256207220 970709526 /nfs/dbraw/zinc/70/95/26/970709526.db2.gz COHVNYLAQHRVNG-OAHLLOKOSA-N 2 2 245.370 2.313 20 0 BEADLP C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)[C@H]1C ZINC001256207228 970714279 /nfs/dbraw/zinc/71/42/79/970714279.db2.gz DAHXUSYAADEEHS-NEPJUHHUSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)[C@H]1C ZINC001256207228 970714291 /nfs/dbraw/zinc/71/42/91/970714291.db2.gz DAHXUSYAADEEHS-NEPJUHHUSA-N 2 2 210.365 2.201 20 0 BEADLP Cc1c(O)cccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001144106890 972601898 /nfs/dbraw/zinc/60/18/98/972601898.db2.gz CHNVQZHPFIYARO-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570120 972839261 /nfs/dbraw/zinc/83/92/61/972839261.db2.gz SWSYFBWNQJQSDD-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570120 972839266 /nfs/dbraw/zinc/83/92/66/972839266.db2.gz SWSYFBWNQJQSDD-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP Cc1cc(NCC(C)(C)[NH3+])cc(OC(F)F)[nH+]1 ZINC001171193689 972843459 /nfs/dbraw/zinc/84/34/59/972843459.db2.gz FJBBWESYDJKNBC-UHFFFAOYSA-N 2 2 245.273 2.141 20 0 BEADLP [NH3+][C@@H]1C[C@H](F)C[N@@H+](C2CCCCCC2)C1 ZINC001246575437 972878474 /nfs/dbraw/zinc/87/84/74/972878474.db2.gz MLJYVNVNNNYJOQ-WDEREUQCSA-N 2 2 214.328 2.080 20 0 BEADLP [NH3+][C@@H]1C[C@H](F)C[N@H+](C2CCCCCC2)C1 ZINC001246575437 972878477 /nfs/dbraw/zinc/87/84/77/972878477.db2.gz MLJYVNVNNNYJOQ-WDEREUQCSA-N 2 2 214.328 2.080 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001246660467 973075800 /nfs/dbraw/zinc/07/58/00/973075800.db2.gz SXIRMCNKFBAKIQ-SMDDNHRTSA-N 2 2 220.360 2.132 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCC3(CC3)CC1)C2 ZINC001246660467 973075815 /nfs/dbraw/zinc/07/58/15/973075815.db2.gz SXIRMCNKFBAKIQ-SMDDNHRTSA-N 2 2 220.360 2.132 20 0 BEADLP C1[C@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246922735 973509988 /nfs/dbraw/zinc/50/99/88/973509988.db2.gz WSDWMABAHSMYNU-OCCSQVGLSA-N 2 2 234.387 2.393 20 0 BEADLP C1[C@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246922735 973509985 /nfs/dbraw/zinc/50/99/85/973509985.db2.gz WSDWMABAHSMYNU-OCCSQVGLSA-N 2 2 234.387 2.393 20 0 BEADLP C/C(=C\C=C\[NH3+])n1c(CC[NH3+])cc2ccccc21 ZINC001171303995 973637396 /nfs/dbraw/zinc/63/73/96/973637396.db2.gz APJJXDWOIQNHFZ-XFRMRLMGSA-N 2 2 241.338 2.476 20 0 BEADLP CC(C)Oc1cc(NC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC001171333520 973857132 /nfs/dbraw/zinc/85/71/32/973857132.db2.gz FMRSEBPDTAGEOE-ZDUSSCGKSA-N 2 2 249.358 2.423 20 0 BEADLP Cc1c[nH+]cc(NC[C@@H]2CCCC[NH2+]2)c1C ZINC001171335604 973879946 /nfs/dbraw/zinc/87/99/46/973879946.db2.gz ZBWAUSVLJPSFPI-LBPRGKRZSA-N 2 2 219.332 2.252 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715001547 974013842 /nfs/dbraw/zinc/01/38/42/974013842.db2.gz YZLPONSUFXCPPN-ZJUUUORDSA-N 2 2 249.185 2.379 20 0 BEADLP Cc1cccc2c1CC[C@H]([NH2+]CC1C[NH+](C)C1)C2 ZINC001171556606 974099965 /nfs/dbraw/zinc/09/99/65/974099965.db2.gz LCXAQECKOLBDKA-HNNXBMFYSA-N 2 2 244.382 2.004 20 0 BEADLP CC[C@H](C)OCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001172319839 974531209 /nfs/dbraw/zinc/53/12/09/974531209.db2.gz TZUZKHXVZQHODN-RYUDHWBXSA-N 2 2 239.363 2.151 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cs1 ZINC001331286873 974671576 /nfs/dbraw/zinc/67/15/76/974671576.db2.gz DJSDZOACLGPLPA-OLZOCXBDSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cs1 ZINC001331286873 974671579 /nfs/dbraw/zinc/67/15/79/974671579.db2.gz DJSDZOACLGPLPA-OLZOCXBDSA-N 2 2 236.384 2.370 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172433420 974719514 /nfs/dbraw/zinc/71/95/14/974719514.db2.gz IJVQCMFHCBERAU-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC001331836498 974832399 /nfs/dbraw/zinc/83/23/99/974832399.db2.gz WQYBQDNJVQMYJH-BDAKNGLRSA-N 2 2 241.404 2.266 20 0 BEADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552632 974867169 /nfs/dbraw/zinc/86/71/69/974867169.db2.gz GUYHFKHQVDXJCA-XJFOESAGSA-N 2 2 216.328 2.012 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172644505 974893122 /nfs/dbraw/zinc/89/31/22/974893122.db2.gz QYTDRQCNCMIFQR-NSHDSACASA-N 2 2 242.407 2.262 20 0 BEADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172840211 974956423 /nfs/dbraw/zinc/95/64/23/974956423.db2.gz CUERYRIRXHSWEK-NZXMKCKXSA-N 2 2 242.725 2.099 20 0 BEADLP Cc1[nH]c2ccc(O[C@@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC001228326871 976121741 /nfs/dbraw/zinc/12/17/41/976121741.db2.gz MCRGAZHLAQXTKU-GFCCVEGCSA-N 2 2 245.326 2.344 20 0 BEADLP Cc1[nH]c2ccc(O[C@@H]3CCC[N@@H+](C)C3)cc2[nH+]1 ZINC001228326871 976121731 /nfs/dbraw/zinc/12/17/31/976121731.db2.gz MCRGAZHLAQXTKU-GFCCVEGCSA-N 2 2 245.326 2.344 20 0 BEADLP CC[N@@H+]1CC[C@@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC001228327265 976123160 /nfs/dbraw/zinc/12/31/60/976123160.db2.gz QIMSVNNFGSEONR-GFCCVEGCSA-N 2 2 245.326 2.344 20 0 BEADLP CC[N@H+]1CC[C@@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC001228327265 976123168 /nfs/dbraw/zinc/12/31/68/976123168.db2.gz QIMSVNNFGSEONR-GFCCVEGCSA-N 2 2 245.326 2.344 20 0 BEADLP Nc1[nH+]c2ccccc2n1-c1ccc2[nH+]ccn2c1 ZINC001174275996 976507909 /nfs/dbraw/zinc/50/79/09/976507909.db2.gz NJOCXEVWGVMSBQ-UHFFFAOYSA-N 2 2 249.277 2.255 20 0 BEADLP Cc1[nH+]c2ccccn2c1NC1=CCC[N@@H+](C)C1 ZINC001175574819 977567930 /nfs/dbraw/zinc/56/79/30/977567930.db2.gz FLPPJCWMDBQUCR-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP Cc1[nH+]c2ccccn2c1NC1=CCC[N@H+](C)C1 ZINC001175574819 977567932 /nfs/dbraw/zinc/56/79/32/977567932.db2.gz FLPPJCWMDBQUCR-UHFFFAOYSA-N 2 2 242.326 2.274 20 0 BEADLP CCc1ccc(N2CC[C@@H](C[N@@H+](C)CC)C2)[nH+]c1 ZINC001336544171 977764919 /nfs/dbraw/zinc/76/49/19/977764919.db2.gz PDXLVBJSNMSTGD-AWEZNQCLSA-N 2 2 247.386 2.422 20 0 BEADLP CCc1ccc(N2CC[C@@H](C[N@H+](C)CC)C2)[nH+]c1 ZINC001336544171 977764929 /nfs/dbraw/zinc/76/49/29/977764929.db2.gz PDXLVBJSNMSTGD-AWEZNQCLSA-N 2 2 247.386 2.422 20 0 BEADLP Clc1cc(Nc2[nH]cc[nH+]2)cn2cc[nH+]c12 ZINC001176082020 977881554 /nfs/dbraw/zinc/88/15/54/977881554.db2.gz OZTSAVHLONUBTD-UHFFFAOYSA-N 2 2 233.662 2.454 20 0 BEADLP c1c[nH+]c(Nc2cccc(Cn3cc[nH+]c3)c2)[nH]1 ZINC001176085168 977887831 /nfs/dbraw/zinc/88/78/31/977887831.db2.gz XNHCXBWXEWIHBD-UHFFFAOYSA-N 2 2 239.282 2.398 20 0 BEADLP COc1cc[nH+]cc1-n1c(N)[nH+]c2ccccc21 ZINC001176117127 977947449 /nfs/dbraw/zinc/94/74/49/977947449.db2.gz SJWUZHQINVKTLP-UHFFFAOYSA-N 2 2 240.266 2.011 20 0 BEADLP CCc1ccc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]c1 ZINC001337914726 978561615 /nfs/dbraw/zinc/56/16/15/978561615.db2.gz NBUMEOSEYJVSEB-ZDUSSCGKSA-N 2 2 233.359 2.032 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000070643540 978861218 /nfs/dbraw/zinc/86/12/18/978861218.db2.gz HYTJVFNUNBREOF-RYUDHWBXSA-N 2 2 221.348 2.131 20 0 BEADLP Fc1ccc(CCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235072820 978969811 /nfs/dbraw/zinc/96/98/11/978969811.db2.gz MVRBXRWPRXLMJX-HUUCEWRRSA-N 2 2 248.345 2.195 20 0 BEADLP Fc1ccc(CCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235072820 978969815 /nfs/dbraw/zinc/96/98/15/978969815.db2.gz MVRBXRWPRXLMJX-HUUCEWRRSA-N 2 2 248.345 2.195 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1coc3ccccc13)C2 ZINC001235154316 978983311 /nfs/dbraw/zinc/98/33/11/978983311.db2.gz DZTSNNFQAUAAPF-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1coc3ccccc13)C2 ZINC001235154316 978983315 /nfs/dbraw/zinc/98/33/15/978983315.db2.gz DZTSNNFQAUAAPF-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235154168 978983334 /nfs/dbraw/zinc/98/33/34/978983334.db2.gz DHCKFZSVYGMYET-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235154168 978983341 /nfs/dbraw/zinc/98/33/41/978983341.db2.gz DHCKFZSVYGMYET-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187183 978992588 /nfs/dbraw/zinc/99/25/88/978992588.db2.gz SNSHASMIOHPMDH-GOEBONIOSA-N 2 2 244.382 2.351 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187183 978992591 /nfs/dbraw/zinc/99/25/91/978992591.db2.gz SNSHASMIOHPMDH-GOEBONIOSA-N 2 2 244.382 2.351 20 0 BEADLP Cc1ccc(O[C@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001235689425 979117067 /nfs/dbraw/zinc/11/70/67/979117067.db2.gz ZBYUSUIRCFIJBN-ZFWWWQNUSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccc(O[C@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001235689425 979117074 /nfs/dbraw/zinc/11/70/74/979117074.db2.gz ZBYUSUIRCFIJBN-ZFWWWQNUSA-N 2 2 248.370 2.185 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)nc(C)c1 ZINC001181506338 979127171 /nfs/dbraw/zinc/12/71/71/979127171.db2.gz QSBBJBTWZYCEHF-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)nc(C)c1 ZINC001181506338 979127183 /nfs/dbraw/zinc/12/71/83/979127183.db2.gz QSBBJBTWZYCEHF-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839148 979169295 /nfs/dbraw/zinc/16/92/95/979169295.db2.gz KVMRUNIHQSGZQG-JTQLQIEISA-N 2 2 226.751 2.162 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839148 979169305 /nfs/dbraw/zinc/16/93/05/979169305.db2.gz KVMRUNIHQSGZQG-JTQLQIEISA-N 2 2 226.751 2.162 20 0 BEADLP C[N@H+](CCC[NH2+]C1CCCCC1)C1(C)COC1 ZINC001235929237 979213558 /nfs/dbraw/zinc/21/35/58/979213558.db2.gz ITGMXGOBDPIDCD-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP C[N@@H+](CCC[NH2+]C1CCCCC1)C1(C)COC1 ZINC001235929237 979213565 /nfs/dbraw/zinc/21/35/65/979213565.db2.gz ITGMXGOBDPIDCD-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976391 979243281 /nfs/dbraw/zinc/24/32/81/979243281.db2.gz BNMQEIFPJNJUNB-CABCVRRESA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976391 979243293 /nfs/dbraw/zinc/24/32/93/979243293.db2.gz BNMQEIFPJNJUNB-CABCVRRESA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235990251 979273752 /nfs/dbraw/zinc/27/37/52/979273752.db2.gz MELHVIQVYUWYBQ-ZWNOBZJWSA-N 2 2 236.384 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235990251 979273757 /nfs/dbraw/zinc/27/37/57/979273757.db2.gz MELHVIQVYUWYBQ-ZWNOBZJWSA-N 2 2 236.384 2.234 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(C)c1 ZINC001236017222 979308629 /nfs/dbraw/zinc/30/86/29/979308629.db2.gz QWUUAZZJNVMOMC-UKRRQHHQSA-N 2 2 230.355 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(C)c1 ZINC001236017222 979308641 /nfs/dbraw/zinc/30/86/41/979308641.db2.gz QWUUAZZJNVMOMC-UKRRQHHQSA-N 2 2 230.355 2.145 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236046401 979345792 /nfs/dbraw/zinc/34/57/92/979345792.db2.gz GFBKYRDYSZUHBZ-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236046401 979345802 /nfs/dbraw/zinc/34/58/02/979345802.db2.gz GFBKYRDYSZUHBZ-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001236173995 979436484 /nfs/dbraw/zinc/43/64/84/979436484.db2.gz OQMICUGHQSPIAQ-AWEZNQCLSA-N 2 2 226.323 2.324 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001236173995 979436494 /nfs/dbraw/zinc/43/64/94/979436494.db2.gz OQMICUGHQSPIAQ-AWEZNQCLSA-N 2 2 226.323 2.324 20 0 BEADLP CC[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001236240829 979462916 /nfs/dbraw/zinc/46/29/16/979462916.db2.gz MWVVJWQFELCTKZ-CQSZACIVSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001236240829 979462922 /nfs/dbraw/zinc/46/29/22/979462922.db2.gz MWVVJWQFELCTKZ-CQSZACIVSA-N 2 2 220.360 2.473 20 0 BEADLP Cc1cccc2c(C[N@@H+]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC001236242810 979464671 /nfs/dbraw/zinc/46/46/71/979464671.db2.gz JZUNWMYSPOAWOK-CYBMUJFWSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2c(C[N@H+]3CCC[C@@H]3C[NH3+])c[nH]c21 ZINC001236242810 979464677 /nfs/dbraw/zinc/46/46/77/979464677.db2.gz JZUNWMYSPOAWOK-CYBMUJFWSA-N 2 2 243.354 2.399 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(F)c2cc[nH]c21 ZINC001236251949 979473008 /nfs/dbraw/zinc/47/30/08/979473008.db2.gz AMSQPMCGHWSHKI-LLVKDONJSA-N 2 2 247.317 2.230 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(F)c2cc[nH]c21 ZINC001236251949 979473012 /nfs/dbraw/zinc/47/30/12/979473012.db2.gz AMSQPMCGHWSHKI-LLVKDONJSA-N 2 2 247.317 2.230 20 0 BEADLP Nc1ccc(-c2cccc(C3([NH3+])CC3)c2)c[nH+]1 ZINC001236316525 979530215 /nfs/dbraw/zinc/53/02/15/979530215.db2.gz MWYSJMIYSVMTQT-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC001236868639 979769182 /nfs/dbraw/zinc/76/91/82/979769182.db2.gz OQAFWOLKSIBXNX-ZDUSSCGKSA-N 2 2 236.359 2.178 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC001236868639 979769191 /nfs/dbraw/zinc/76/91/91/979769191.db2.gz OQAFWOLKSIBXNX-ZDUSSCGKSA-N 2 2 236.359 2.178 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccnc2ccccc12 ZINC001236865357 979770557 /nfs/dbraw/zinc/77/05/57/979770557.db2.gz JLTLICGRDLCXQG-ZDUSSCGKSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccnc2ccccc12 ZINC001236865357 979770561 /nfs/dbraw/zinc/77/05/61/979770561.db2.gz JLTLICGRDLCXQG-ZDUSSCGKSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001236865264 979773467 /nfs/dbraw/zinc/77/34/67/979773467.db2.gz HOFQXIAYJBBFIR-HNNXBMFYSA-N 2 2 232.371 2.344 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001236865264 979773476 /nfs/dbraw/zinc/77/34/76/979773476.db2.gz HOFQXIAYJBBFIR-HNNXBMFYSA-N 2 2 232.371 2.344 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2scnc2c1 ZINC001236870665 979779437 /nfs/dbraw/zinc/77/94/37/979779437.db2.gz UPRQBVGNMBYBPI-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2scnc2c1 ZINC001236870665 979779445 /nfs/dbraw/zinc/77/94/45/979779445.db2.gz UPRQBVGNMBYBPI-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2cccnc2c1 ZINC001236895050 979784616 /nfs/dbraw/zinc/78/46/16/979784616.db2.gz IWKIVLNDNONYNO-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cccnc2c1 ZINC001236895050 979784624 /nfs/dbraw/zinc/78/46/24/979784624.db2.gz IWKIVLNDNONYNO-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])cc(C)c1F ZINC001236900653 979786715 /nfs/dbraw/zinc/78/67/15/979786715.db2.gz UUQATZMEEGPFDX-NSHDSACASA-N 2 2 224.323 2.222 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])cc(C)c1F ZINC001236900653 979786721 /nfs/dbraw/zinc/78/67/21/979786721.db2.gz UUQATZMEEGPFDX-NSHDSACASA-N 2 2 224.323 2.222 20 0 BEADLP Cc1nc2cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc2s1 ZINC001236904424 979791748 /nfs/dbraw/zinc/79/17/48/979791748.db2.gz MLFJERFNDIHLBX-VIFPVBQESA-N 2 2 249.383 2.384 20 0 BEADLP Cc1nc2cc(C[N@H+](C)C[C@H](C)[NH3+])ccc2s1 ZINC001236904424 979791755 /nfs/dbraw/zinc/79/17/55/979791755.db2.gz MLFJERFNDIHLBX-VIFPVBQESA-N 2 2 249.383 2.384 20 0 BEADLP CO[C@@H]1C[N@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC001237101595 979815490 /nfs/dbraw/zinc/81/54/90/979815490.db2.gz JLDPMBJGGUUWTL-RWMBFGLXSA-N 2 2 242.407 2.107 20 0 BEADLP CO[C@@H]1C[N@@H+](CC[C@H](C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC001237101595 979815491 /nfs/dbraw/zinc/81/54/91/979815491.db2.gz JLDPMBJGGUUWTL-RWMBFGLXSA-N 2 2 242.407 2.107 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ns1 ZINC001205296286 980067446 /nfs/dbraw/zinc/06/74/46/980067446.db2.gz KRSZDUYZMKGPLJ-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ns1 ZINC001205296286 980067457 /nfs/dbraw/zinc/06/74/57/980067457.db2.gz KRSZDUYZMKGPLJ-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156096081 980633041 /nfs/dbraw/zinc/63/30/41/980633041.db2.gz PLGSIMVYMBZANR-ZIAGYGMSSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156096081 980633046 /nfs/dbraw/zinc/63/30/46/980633046.db2.gz PLGSIMVYMBZANR-ZIAGYGMSSA-N 2 2 245.370 2.106 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(C2=CCC[NH2+]C2)c1 ZINC001240670198 981581001 /nfs/dbraw/zinc/58/10/01/981581001.db2.gz XTKCASNODNSKNC-UHFFFAOYSA-N 2 2 239.322 2.464 20 0 BEADLP CCCNc1cc(C)[nH+]c(C=C2CC[NH2+]CC2)n1 ZINC001240872385 981912224 /nfs/dbraw/zinc/91/22/24/981912224.db2.gz BQYPYUUWXGKXLK-UHFFFAOYSA-N 2 2 246.358 2.374 20 0 BEADLP Cc1cc(C=C2CC[NH2+]CC2)c2[nH+]ccn2c1 ZINC001240877849 981929818 /nfs/dbraw/zinc/92/98/18/981929818.db2.gz KFAWAGDQKCBJJZ-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP C[C@H]([NH3+])c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241169579 982311541 /nfs/dbraw/zinc/31/15/41/982311541.db2.gz GQMPQBQPNAIDAI-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP C[C@H]([NH3+])c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241170489 982316469 /nfs/dbraw/zinc/31/64/69/982316469.db2.gz KOTVIBVUFZGXOV-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205804093 982558141 /nfs/dbraw/zinc/55/81/41/982558141.db2.gz LPONOTANCZVDJV-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205804093 982558148 /nfs/dbraw/zinc/55/81/48/982558148.db2.gz LPONOTANCZVDJV-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](CCCC(F)(F)F)C1 ZINC001205807288 982573976 /nfs/dbraw/zinc/57/39/76/982573976.db2.gz ZNIQEHYDLXCXPS-UWVGGRQHSA-N 2 2 238.297 2.388 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](CCCC(F)(F)F)C1 ZINC001205807288 982573980 /nfs/dbraw/zinc/57/39/80/982573980.db2.gz ZNIQEHYDLXCXPS-UWVGGRQHSA-N 2 2 238.297 2.388 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1O ZINC001205844822 982778636 /nfs/dbraw/zinc/77/86/36/982778636.db2.gz YMMVLFHWLWKLFK-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1O ZINC001205844822 982778646 /nfs/dbraw/zinc/77/86/46/982778646.db2.gz YMMVLFHWLWKLFK-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP C[NH+](C)Cc1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201293043 983171097 /nfs/dbraw/zinc/17/10/97/983171097.db2.gz WHHAPFGHLXFZEU-UHFFFAOYSA-N 2 2 242.326 2.469 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201408671 983207571 /nfs/dbraw/zinc/20/75/71/983207571.db2.gz IFVCLRYYNUDEHI-ZDUSSCGKSA-N 2 2 231.343 2.363 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001201408671 983207576 /nfs/dbraw/zinc/20/75/76/983207576.db2.gz IFVCLRYYNUDEHI-ZDUSSCGKSA-N 2 2 231.343 2.363 20 0 BEADLP CNc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC001242024870 983235158 /nfs/dbraw/zinc/23/51/58/983235158.db2.gz GAPRLEMQJCKEBH-NEPJUHHUSA-N 2 2 215.300 2.031 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202190299 983594853 /nfs/dbraw/zinc/59/48/53/983594853.db2.gz NOAQXSRFJVFOON-UONOGXRCSA-N 2 2 222.376 2.203 20 0 BEADLP C[N@H+]1CCC[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC001202190299 983594869 /nfs/dbraw/zinc/59/48/69/983594869.db2.gz NOAQXSRFJVFOON-UONOGXRCSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001202190299 983594880 /nfs/dbraw/zinc/59/48/80/983594880.db2.gz NOAQXSRFJVFOON-UONOGXRCSA-N 2 2 222.376 2.203 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](CCCC(F)(F)F)C2 ZINC001202394813 983655664 /nfs/dbraw/zinc/65/56/64/983655664.db2.gz JXARJHIRKCDOFN-UHFFFAOYSA-N 2 2 247.264 2.350 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](CCCC(F)(F)F)C2 ZINC001202394813 983655665 /nfs/dbraw/zinc/65/56/65/983655665.db2.gz JXARJHIRKCDOFN-UHFFFAOYSA-N 2 2 247.264 2.350 20 0 BEADLP Cc1cc(-c2ccc3c(c2)C[NH2+]C3)c[nH+]c1N ZINC001242673888 984040600 /nfs/dbraw/zinc/04/06/00/984040600.db2.gz IMFSJMSWRRJWKQ-UHFFFAOYSA-N 2 2 225.295 2.242 20 0 BEADLP Cn1c[nH+]cc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242692561 984052082 /nfs/dbraw/zinc/05/20/82/984052082.db2.gz SKBBXTJIORGSOP-ZDUSSCGKSA-N 2 2 231.343 2.452 20 0 BEADLP C[NH2+]Cc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001242991578 984355298 /nfs/dbraw/zinc/35/52/98/984355298.db2.gz TTXJDHKUEVNUFR-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCC1)C2 ZINC001275040234 984442878 /nfs/dbraw/zinc/44/28/78/984442878.db2.gz XNSRPTJTGIFDJU-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCC1)C2 ZINC001275040234 984442897 /nfs/dbraw/zinc/44/28/97/984442897.db2.gz XNSRPTJTGIFDJU-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001275040234 984442922 /nfs/dbraw/zinc/44/29/22/984442922.db2.gz XNSRPTJTGIFDJU-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC001275040234 984442951 /nfs/dbraw/zinc/44/29/51/984442951.db2.gz XNSRPTJTGIFDJU-KGLIPLIRSA-N 2 2 222.376 2.203 20 0 BEADLP C[N@@H+]1CCC2(C[NH+](CCCc3ccccc3)C2)C1 ZINC001275109674 984494833 /nfs/dbraw/zinc/49/48/33/984494833.db2.gz CXCXAHXEULAOQH-UHFFFAOYSA-N 2 2 244.382 2.257 20 0 BEADLP C[N@H+]1CCC2(C[NH+](CCCc3ccccc3)C2)C1 ZINC001275109674 984494839 /nfs/dbraw/zinc/49/48/39/984494839.db2.gz CXCXAHXEULAOQH-UHFFFAOYSA-N 2 2 244.382 2.257 20 0 BEADLP [NH3+]CC[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(F)F ZINC001580284803 984498664 /nfs/dbraw/zinc/49/86/64/984498664.db2.gz SMFLTJZINMOLHL-VPOLOUISSA-N 2 2 232.318 2.137 20 0 BEADLP COc1ccc(-c2c[nH+]cn2C)c(C[NH+](C)C)c1 ZINC001243072646 984501895 /nfs/dbraw/zinc/50/18/95/984501895.db2.gz SXAZOVUZVMNREE-UHFFFAOYSA-N 2 2 245.326 2.157 20 0 BEADLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257431299 985002866 /nfs/dbraw/zinc/00/28/66/985002866.db2.gz CBTYTYVSMOITRR-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257431299 985002873 /nfs/dbraw/zinc/00/28/73/985002873.db2.gz CBTYTYVSMOITRR-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257431301 985004451 /nfs/dbraw/zinc/00/44/51/985004451.db2.gz CBTYTYVSMOITRR-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257431301 985004459 /nfs/dbraw/zinc/00/44/59/985004459.db2.gz CBTYTYVSMOITRR-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH3+])c1cccc(-c2ccc[nH+]c2N)c1 ZINC001243473592 985024624 /nfs/dbraw/zinc/02/46/24/985024624.db2.gz NHFKPKWOJUNDIH-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP Nc1[nH+]cccc1-c1ccc2[nH]cc(C[NH3+])c2c1 ZINC001243478564 985042754 /nfs/dbraw/zinc/04/27/54/985042754.db2.gz ZSKCZMXUAVKHDO-UHFFFAOYSA-N 2 2 238.294 2.271 20 0 BEADLP C[N@H+](C[C@H]1CC[NH2+]1)CC(C)(C)Oc1ccccc1 ZINC001578457035 985089621 /nfs/dbraw/zinc/08/96/21/985089621.db2.gz SYVILDDUACJFSI-CYBMUJFWSA-N 2 2 248.370 2.138 20 0 BEADLP C[N@@H+](C[C@H]1CC[NH2+]1)CC(C)(C)Oc1ccccc1 ZINC001578457035 985089632 /nfs/dbraw/zinc/08/96/32/985089632.db2.gz SYVILDDUACJFSI-CYBMUJFWSA-N 2 2 248.370 2.138 20 0 BEADLP C[N@H+](CC[NH3+])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001578471107 985104641 /nfs/dbraw/zinc/10/46/41/985104641.db2.gz SNHFRCJBIXFEFV-KBPBESRZSA-N 2 2 248.370 2.123 20 0 BEADLP C[N@@H+](CC[NH3+])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001578471107 985104650 /nfs/dbraw/zinc/10/46/50/985104650.db2.gz SNHFRCJBIXFEFV-KBPBESRZSA-N 2 2 248.370 2.123 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000688730523 985714668 /nfs/dbraw/zinc/71/46/68/985714668.db2.gz FMTNISOVQMEXEZ-ZJUUUORDSA-N 2 2 234.334 2.337 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000688730523 985714687 /nfs/dbraw/zinc/71/46/87/985714687.db2.gz FMTNISOVQMEXEZ-ZJUUUORDSA-N 2 2 234.334 2.337 20 0 BEADLP COc1ccc(C2CC2)cc1C[NH2+]CC(C)(C)[NH3+] ZINC001579202256 985819997 /nfs/dbraw/zinc/81/99/97/985819997.db2.gz POFVDSBYEXGQDS-UHFFFAOYSA-N 2 2 248.370 2.400 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC001579476997 985992661 /nfs/dbraw/zinc/99/26/61/985992661.db2.gz SAIHNHKUCZXOAE-ZCFIWIBFSA-N 2 2 248.157 2.012 20 0 BEADLP CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC001460997914 985997728 /nfs/dbraw/zinc/99/77/28/985997728.db2.gz WAALCMMTWWFUHB-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(C)c2c(c1)CC[N@@H+](CC(C)(C)[NH3+])C2 ZINC001579576827 986091734 /nfs/dbraw/zinc/09/17/34/986091734.db2.gz QDAYYXXPUJVFSL-UHFFFAOYSA-N 2 2 232.371 2.399 20 0 BEADLP Cc1cc(C)c2c(c1)CC[N@H+](CC(C)(C)[NH3+])C2 ZINC001579576827 986091755 /nfs/dbraw/zinc/09/17/55/986091755.db2.gz QDAYYXXPUJVFSL-UHFFFAOYSA-N 2 2 232.371 2.399 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001254515995 986654016 /nfs/dbraw/zinc/65/40/16/986654016.db2.gz IJEOJKKHVIGMHM-YNEHKIRRSA-N 2 2 246.345 2.243 20 0 BEADLP C[N@H+]1CCC[C@H]([NH+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001254515995 986654027 /nfs/dbraw/zinc/65/40/27/986654027.db2.gz IJEOJKKHVIGMHM-YNEHKIRRSA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001254515995 986654047 /nfs/dbraw/zinc/65/40/47/986654047.db2.gz IJEOJKKHVIGMHM-YNEHKIRRSA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001254515995 986654062 /nfs/dbraw/zinc/65/40/62/986654062.db2.gz IJEOJKKHVIGMHM-YNEHKIRRSA-N 2 2 246.345 2.243 20 0 BEADLP [NH3+]CC1([NH2+]Cc2cc(F)cc(F)c2)CCCC1 ZINC001580245462 986693557 /nfs/dbraw/zinc/69/35/57/986693557.db2.gz VSGRGLUANBXKDD-UHFFFAOYSA-N 2 2 240.297 2.326 20 0 BEADLP CCCC[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001255315009 986908687 /nfs/dbraw/zinc/90/86/87/986908687.db2.gz ZPXSGSZWLOTLEF-AWEZNQCLSA-N 3 2 243.439 2.168 20 0 BEADLP CCCC[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001255315009 986908695 /nfs/dbraw/zinc/90/86/95/986908695.db2.gz ZPXSGSZWLOTLEF-AWEZNQCLSA-N 3 2 243.439 2.168 20 0 BEADLP CCCC(CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246078352 987354224 /nfs/dbraw/zinc/35/42/24/987354224.db2.gz APGQHHYIZWYGSX-RYUDHWBXSA-N 2 2 216.344 2.245 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC(C)(C)C1 ZINC001246080254 987370944 /nfs/dbraw/zinc/37/09/44/987370944.db2.gz DZKHXAGSQVNJMS-XQHKEYJVSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C[NH2+]1 ZINC001246080783 987376094 /nfs/dbraw/zinc/37/60/94/987376094.db2.gz OVUSHYBYQISNAF-MLGOLLRUSA-N 2 2 244.382 2.405 20 0 BEADLP CCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088509 987390110 /nfs/dbraw/zinc/39/01/10/987390110.db2.gz KEHAYMOJBSASIZ-UONOGXRCSA-N 2 2 242.407 2.313 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088855 987391120 /nfs/dbraw/zinc/39/11/20/987391120.db2.gz YBJWXNWGECTFQF-YNEHKIRRSA-N 2 2 230.371 2.491 20 0 BEADLP CCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246093297 987400987 /nfs/dbraw/zinc/40/09/87/987400987.db2.gz RQAOMDQFSZBOAB-WOPDTQHZSA-N 2 2 216.344 2.245 20 0 BEADLP CCCC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246093545 987403231 /nfs/dbraw/zinc/40/32/31/987403231.db2.gz OIWDXBHQUYEOGV-ZIAGYGMSSA-N 2 2 242.407 2.169 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246104577 987434285 /nfs/dbraw/zinc/43/42/85/987434285.db2.gz BHDOHLZFGYEKPH-LOWDOPEQSA-N 2 2 230.371 2.491 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC(C)(C)C1 ZINC001246111881 987444256 /nfs/dbraw/zinc/44/42/56/987444256.db2.gz OSIJVSYVKMBJDW-NDBYEHHHSA-N 2 2 242.382 2.491 20 0 BEADLP CCc1ccc(C[C@H](C)[NH2+][C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001246148360 987506052 /nfs/dbraw/zinc/50/60/52/987506052.db2.gz MPDYSJHLUMWUSS-RCBQFDQVSA-N 2 2 244.382 2.132 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(N)c1 ZINC001246174615 987544193 /nfs/dbraw/zinc/54/41/93/987544193.db2.gz FROGZRUOEPHWDF-BXUZGUMPSA-N 2 2 233.359 2.062 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C[NH2+]1 ZINC001246177020 987547457 /nfs/dbraw/zinc/54/74/57/987547457.db2.gz BWQWVGWGZYMWSG-FFAUQURTSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N)c1 ZINC001246177681 987549652 /nfs/dbraw/zinc/54/96/52/987549652.db2.gz VQSNWXNAPGVWOR-JTNHKYCSSA-N 2 2 233.359 2.060 20 0 BEADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cn1 ZINC001246182941 987554609 /nfs/dbraw/zinc/55/46/09/987554609.db2.gz BWBHLAJNKHOVOW-MDFVCYEDSA-N 2 2 249.333 2.154 20 0 BEADLP C[C@H](C[NH2+]C1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC001473932938 987620658 /nfs/dbraw/zinc/62/06/58/987620658.db2.gz GRJXWYRRJHZKAK-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+]C1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC001473932938 987620666 /nfs/dbraw/zinc/62/06/66/987620666.db2.gz GRJXWYRRJHZKAK-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)c(F)c1F ZINC001246225100 987622278 /nfs/dbraw/zinc/62/22/78/987622278.db2.gz KRFGMGXBQUXCCQ-UHFFFAOYSA-N 2 2 240.297 2.115 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCNc3ccccc32)C[NH2+]1 ZINC001246229913 987626542 /nfs/dbraw/zinc/62/65/42/987626542.db2.gz LWTPRBXLSTYHSA-XUJVJEKNSA-N 2 2 245.370 2.273 20 0 BEADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC001246240569 987640593 /nfs/dbraw/zinc/64/05/93/987640593.db2.gz QSEGUJJSAUOOAZ-CRWXNKLISA-N 2 2 242.407 2.024 20 0 BEADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240892 987641108 /nfs/dbraw/zinc/64/11/08/987641108.db2.gz RVRLTQUTKBNYHQ-RFGFWPKPSA-N 2 2 242.407 2.168 20 0 BEADLP Cc1ccccc1OC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246240323 987641385 /nfs/dbraw/zinc/64/13/85/987641385.db2.gz UZWDMAQGQSGUKG-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240890 987642905 /nfs/dbraw/zinc/64/29/05/987642905.db2.gz RVRLTQUTKBNYHQ-CRWXNKLISA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)C[NH2+]1 ZINC001246265657 987659736 /nfs/dbraw/zinc/65/97/36/987659736.db2.gz PIRZHRNBMZNOKF-CYUUQNCZSA-N 2 2 230.355 2.273 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282645 987675590 /nfs/dbraw/zinc/67/55/90/987675590.db2.gz TWIRTCFGDDNTAR-OADPDTJPSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282642 987676041 /nfs/dbraw/zinc/67/60/41/987676041.db2.gz TWIRTCFGDDNTAR-KJEVXHAQSA-N 2 2 248.345 2.412 20 0 BEADLP c1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246313823 987717483 /nfs/dbraw/zinc/71/74/83/987717483.db2.gz UVWXBVGWOQUNFD-AWEZNQCLSA-N 2 2 230.355 2.407 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2noc3ccccc23)CC[NH2+]1 ZINC001246335540 987743238 /nfs/dbraw/zinc/74/32/38/987743238.db2.gz RKCDYWJTHPAWKM-GHMZBOCLSA-N 2 2 245.326 2.058 20 0 BEADLP C([NH2+]C1CCCCCCC1)[C@H]1CSCC[NH2+]1 ZINC001246338481 987750179 /nfs/dbraw/zinc/75/01/79/987750179.db2.gz YHSOEQLXUMFLPL-ZDUSSCGKSA-N 2 2 242.432 2.394 20 0 BEADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246345609 987755872 /nfs/dbraw/zinc/75/58/72/987755872.db2.gz AYOJFBUYTDNENF-SWLSCSKDSA-N 2 2 246.354 2.024 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246372269 987775793 /nfs/dbraw/zinc/77/57/93/987775793.db2.gz ZMBIRXQBADUKOG-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1cnccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246411158 987791779 /nfs/dbraw/zinc/79/17/79/987791779.db2.gz RILRYCHBKFRVAK-HIFRSBDPSA-N 2 2 245.370 2.183 20 0 BEADLP Cc1cnccc1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC001246411160 987791833 /nfs/dbraw/zinc/79/18/33/987791833.db2.gz RILRYCHBKFRVAK-ZFWWWQNUSA-N 2 2 245.370 2.183 20 0 BEADLP Cc1cncc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246521078 987869255 /nfs/dbraw/zinc/86/92/55/987869255.db2.gz YZSCOBDLZXWCSR-CABCVRRESA-N 2 2 245.370 2.183 20 0 BEADLP COc1cccc(C[C@@H](C)[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001246528724 987881121 /nfs/dbraw/zinc/88/11/21/987881121.db2.gz HHHCQOYZUNTFAQ-DOMZBBRYSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@@H](C)[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001246528724 987881125 /nfs/dbraw/zinc/88/11/25/987881125.db2.gz HHHCQOYZUNTFAQ-DOMZBBRYSA-N 2 2 248.370 2.049 20 0 BEADLP C[C@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551202 987944129 /nfs/dbraw/zinc/94/41/29/987944129.db2.gz XKSXNHJXUNGNRH-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551202 987944137 /nfs/dbraw/zinc/94/41/37/987944137.db2.gz XKSXNHJXUNGNRH-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001118059943 988001427 /nfs/dbraw/zinc/00/14/27/988001427.db2.gz VHAJYOKBRKTJJG-WDEREUQCSA-N 2 2 242.725 2.449 20 0 BEADLP Cc1cccc2c1C[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246568880 988038004 /nfs/dbraw/zinc/03/80/04/988038004.db2.gz SMHSPNHJEVPZEJ-ZDUSSCGKSA-N 2 2 216.328 2.063 20 0 BEADLP Cc1cccc2c1C[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246568880 988038018 /nfs/dbraw/zinc/03/80/18/988038018.db2.gz SMHSPNHJEVPZEJ-ZDUSSCGKSA-N 2 2 216.328 2.063 20 0 BEADLP CSCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572499 988060811 /nfs/dbraw/zinc/06/08/11/988060811.db2.gz AEWBONFVZIFPLG-RYUDHWBXSA-N 2 2 248.411 2.281 20 0 BEADLP CSCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572499 988060830 /nfs/dbraw/zinc/06/08/30/988060830.db2.gz AEWBONFVZIFPLG-RYUDHWBXSA-N 2 2 248.411 2.281 20 0 BEADLP C[C@@H]1CC([N@@H+]2CCC[NH2+]C[C@@H]2C)C[C@@H](C)C1 ZINC001246575146 988078328 /nfs/dbraw/zinc/07/83/28/988078328.db2.gz VVVNJEPKZHIBHT-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC([N@H+]2CCC[NH2+]C[C@@H]2C)C[C@@H](C)C1 ZINC001246575146 988078343 /nfs/dbraw/zinc/07/83/43/988078343.db2.gz VVVNJEPKZHIBHT-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001246582139 988109343 /nfs/dbraw/zinc/10/93/43/988109343.db2.gz QYKVFCQWLJZTIK-NWDGAFQWSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC001246582139 988109366 /nfs/dbraw/zinc/10/93/66/988109366.db2.gz QYKVFCQWLJZTIK-NWDGAFQWSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001246582142 988115051 /nfs/dbraw/zinc/11/50/51/988115051.db2.gz QYKVFCQWLJZTIK-RYUDHWBXSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC001246582142 988115074 /nfs/dbraw/zinc/11/50/74/988115074.db2.gz QYKVFCQWLJZTIK-RYUDHWBXSA-N 2 2 246.395 2.035 20 0 BEADLP CC1(C)C[N@@H+]([C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246595082 988186824 /nfs/dbraw/zinc/18/68/24/988186824.db2.gz HQSCAIJMXOHGFM-JTQLQIEISA-N 2 2 232.318 2.106 20 0 BEADLP CC1(C)C[N@H+]([C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246595082 988186837 /nfs/dbraw/zinc/18/68/37/988186837.db2.gz HQSCAIJMXOHGFM-JTQLQIEISA-N 2 2 232.318 2.106 20 0 BEADLP CCCCCC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612351 988246507 /nfs/dbraw/zinc/24/65/07/988246507.db2.gz GOSSYJOVUQTGAI-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641474 988346275 /nfs/dbraw/zinc/34/62/75/988346275.db2.gz IIZLUQXGDFMESW-ZOBORPQBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641474 988346289 /nfs/dbraw/zinc/34/62/89/988346289.db2.gz IIZLUQXGDFMESW-ZOBORPQBSA-N 2 2 240.391 2.016 20 0 BEADLP CC1(C)CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246652633 988377386 /nfs/dbraw/zinc/37/73/86/988377386.db2.gz GLXQJCRRLLRYQF-SMDDNHRTSA-N 2 2 222.376 2.378 20 0 BEADLP CC1(C)CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246652633 988377400 /nfs/dbraw/zinc/37/74/00/988377400.db2.gz GLXQJCRRLLRYQF-SMDDNHRTSA-N 2 2 222.376 2.378 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@@H]1C ZINC001246664763 988406161 /nfs/dbraw/zinc/40/61/61/988406161.db2.gz ZAPZZQIRESWMHR-IKOXMDCHSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@@H]1C ZINC001246664763 988406163 /nfs/dbraw/zinc/40/61/63/988406163.db2.gz ZAPZZQIRESWMHR-IKOXMDCHSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C(F)F)C2)C[NH2+]1 ZINC001246805815 988485468 /nfs/dbraw/zinc/48/54/68/988485468.db2.gz DVQGIMDSSFJMQO-GMTAPVOTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C(F)F)C2)C[NH2+]1 ZINC001246805815 988485484 /nfs/dbraw/zinc/48/54/84/988485484.db2.gz DVQGIMDSSFJMQO-GMTAPVOTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822643 988511895 /nfs/dbraw/zinc/51/18/95/988511895.db2.gz MHQYRXXJVDGHES-CMPLNLGQSA-N 2 2 234.318 2.282 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2Cc3cccc(F)c3C2)CC[NH2+]1 ZINC001246822643 988511909 /nfs/dbraw/zinc/51/19/09/988511909.db2.gz MHQYRXXJVDGHES-CMPLNLGQSA-N 2 2 234.318 2.282 20 0 BEADLP Fc1ccc([C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848253 988563012 /nfs/dbraw/zinc/56/30/12/988563012.db2.gz NDKZZFNUELXDKZ-HIFRSBDPSA-N 2 2 248.345 2.367 20 0 BEADLP Fc1ccc([C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848253 988563023 /nfs/dbraw/zinc/56/30/23/988563023.db2.gz NDKZZFNUELXDKZ-HIFRSBDPSA-N 2 2 248.345 2.367 20 0 BEADLP Fc1ccc([C@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848256 988564729 /nfs/dbraw/zinc/56/47/29/988564729.db2.gz NDKZZFNUELXDKZ-ZFWWWQNUSA-N 2 2 248.345 2.367 20 0 BEADLP Fc1ccc([C@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC001246848256 988564741 /nfs/dbraw/zinc/56/47/41/988564741.db2.gz NDKZZFNUELXDKZ-ZFWWWQNUSA-N 2 2 248.345 2.367 20 0 BEADLP CC(C)CC(CC(C)C)[N@@H+]1CCOC[C@@H]1C[NH3+] ZINC001246857584 988576493 /nfs/dbraw/zinc/57/64/93/988576493.db2.gz QKNOOCDLCJMAOW-AWEZNQCLSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)CC(CC(C)C)[N@H+]1CCOC[C@@H]1C[NH3+] ZINC001246857584 988576501 /nfs/dbraw/zinc/57/65/01/988576501.db2.gz QKNOOCDLCJMAOW-AWEZNQCLSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)(C)C1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246920178 988724476 /nfs/dbraw/zinc/72/44/76/988724476.db2.gz PBCAMAVKPBJXOL-GFJIZPEISA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246920178 988724483 /nfs/dbraw/zinc/72/44/83/988724483.db2.gz PBCAMAVKPBJXOL-GFJIZPEISA-N 2 2 236.403 2.495 20 0 BEADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246919711 988729588 /nfs/dbraw/zinc/72/95/88/988729588.db2.gz NXKCOEFLWNMDIA-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246919711 988729598 /nfs/dbraw/zinc/72/95/98/988729598.db2.gz NXKCOEFLWNMDIA-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246922096 988742038 /nfs/dbraw/zinc/74/20/38/988742038.db2.gz UOKCZJFIRWWVPH-TZMCWYRMSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246922096 988742063 /nfs/dbraw/zinc/74/20/63/988742063.db2.gz UOKCZJFIRWWVPH-TZMCWYRMSA-N 2 2 224.392 2.351 20 0 BEADLP CCCCC[C@H](CC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982962 988815993 /nfs/dbraw/zinc/81/59/93/988815993.db2.gz LGMIVICJYIOBIK-RWMBFGLXSA-N 2 2 228.380 2.003 20 0 BEADLP CCCCC[C@H](CC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982962 988816003 /nfs/dbraw/zinc/81/60/03/988816003.db2.gz LGMIVICJYIOBIK-RWMBFGLXSA-N 2 2 228.380 2.003 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1cscc1Cl ZINC001325319674 989156810 /nfs/dbraw/zinc/15/68/10/989156810.db2.gz NIZVGQGQYYPZBC-MRVPVSSYSA-N 2 2 232.780 2.489 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCC(F)F)C[N@@H+]1C1CC1 ZINC001119540980 989147236 /nfs/dbraw/zinc/14/72/36/989147236.db2.gz MTPLWZAGARGVQU-NXEZZACHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCC(F)F)C[N@H+]1C1CC1 ZINC001119540980 989147247 /nfs/dbraw/zinc/14/72/47/989147247.db2.gz MTPLWZAGARGVQU-NXEZZACHSA-N 2 2 232.318 2.247 20 0 BEADLP CC[NH+](CC)CC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001516602505 989159956 /nfs/dbraw/zinc/15/99/56/989159956.db2.gz AKGUCZFZTZBEAX-NSHDSACASA-N 2 2 236.363 2.317 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001516602504 989162110 /nfs/dbraw/zinc/16/21/10/989162110.db2.gz AKGUCZFZTZBEAX-LLVKDONJSA-N 2 2 236.363 2.317 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(F)ccc1F ZINC001326073900 989364490 /nfs/dbraw/zinc/36/44/90/989364490.db2.gz AXKQFEKTCJQZTH-VIFPVBQESA-N 2 2 228.286 2.052 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cccn1C1CC1 ZINC001326447596 989559032 /nfs/dbraw/zinc/55/90/32/989559032.db2.gz VDGQNJSEQDWQGF-UHFFFAOYSA-N 2 2 235.375 2.207 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cccn1C1CC1 ZINC001326447596 989559045 /nfs/dbraw/zinc/55/90/45/989559045.db2.gz VDGQNJSEQDWQGF-UHFFFAOYSA-N 2 2 235.375 2.207 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001120022013 989563633 /nfs/dbraw/zinc/56/36/33/989563633.db2.gz WOFPQNZAVGGWNU-GFCCVEGCSA-N 2 2 241.404 2.395 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1nc(C)sc1C ZINC001326473924 989571831 /nfs/dbraw/zinc/57/18/31/989571831.db2.gz QLWSLZYAHFEGIN-RKDXNWHRSA-N 2 2 241.404 2.409 20 0 BEADLP C[C@@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCCC[NH2+]1 ZINC001326473919 989575276 /nfs/dbraw/zinc/57/52/76/989575276.db2.gz QJUVXGRHEOCSHH-FVKZJRLBSA-N 2 2 208.349 2.073 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258196921 991111186 /nfs/dbraw/zinc/11/11/86/991111186.db2.gz BNTLSOYACQAMAQ-NFAWXSAZSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258196921 991111189 /nfs/dbraw/zinc/11/11/89/991111189.db2.gz BNTLSOYACQAMAQ-NFAWXSAZSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258196921 991111194 /nfs/dbraw/zinc/11/11/94/991111194.db2.gz BNTLSOYACQAMAQ-NFAWXSAZSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258196921 991111195 /nfs/dbraw/zinc/11/11/95/991111195.db2.gz BNTLSOYACQAMAQ-NFAWXSAZSA-N 2 2 248.370 2.237 20 0 BEADLP CSCC[C@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258213353 991133097 /nfs/dbraw/zinc/13/30/97/991133097.db2.gz ZTJGVJDDTWUIIH-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258213353 991133100 /nfs/dbraw/zinc/13/31/00/991133100.db2.gz ZTJGVJDDTWUIIH-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CCSC ZINC001258225488 991159495 /nfs/dbraw/zinc/15/94/95/991159495.db2.gz YFINFHXSDCOGJS-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CCSC ZINC001258225488 991159500 /nfs/dbraw/zinc/15/95/00/991159500.db2.gz YFINFHXSDCOGJS-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC(C)(C)COC)C1 ZINC001308929300 991224565 /nfs/dbraw/zinc/22/45/65/991224565.db2.gz YCWKPMLDPZEDEW-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC(C)(C)COC)C1 ZINC001308929300 991224571 /nfs/dbraw/zinc/22/45/71/991224571.db2.gz YCWKPMLDPZEDEW-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC001258314631 991240255 /nfs/dbraw/zinc/24/02/55/991240255.db2.gz HPVSDWNGPAQGPK-QWRGUYRKSA-N 2 2 232.437 2.446 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258456589 991409692 /nfs/dbraw/zinc/40/96/92/991409692.db2.gz OHOMWDHIDPXPFJ-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258456589 991409697 /nfs/dbraw/zinc/40/96/97/991409697.db2.gz OHOMWDHIDPXPFJ-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001258610271 991530297 /nfs/dbraw/zinc/53/02/97/991530297.db2.gz IXZADXWNQRVLFB-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001258610271 991530311 /nfs/dbraw/zinc/53/03/11/991530311.db2.gz IXZADXWNQRVLFB-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1cccnc1 ZINC001258612891 991536635 /nfs/dbraw/zinc/53/66/35/991536635.db2.gz HUIUXFMMRYLHML-UONOGXRCSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1cccnc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258622071 991549904 /nfs/dbraw/zinc/54/99/04/991549904.db2.gz GGSLRKCQIQSKGN-ZDUSSCGKSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@@H](Cc1cccnc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258622071 991549916 /nfs/dbraw/zinc/54/99/16/991549916.db2.gz GGSLRKCQIQSKGN-ZDUSSCGKSA-N 2 2 247.386 2.039 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)C1 ZINC001560943797 991662654 /nfs/dbraw/zinc/66/26/54/991662654.db2.gz ANPVHHCSPLRGQC-QWRGUYRKSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2C(C)(C)C2(F)F)C1 ZINC001560943797 991662656 /nfs/dbraw/zinc/66/26/56/991662656.db2.gz ANPVHHCSPLRGQC-QWRGUYRKSA-N 2 2 246.345 2.352 20 0 BEADLP CCC[NH+]1CCC([NH+]2CC(C(F)F)C2)CC1 ZINC001258777678 991744705 /nfs/dbraw/zinc/74/47/05/991744705.db2.gz COOGNCUUKCGRRE-UHFFFAOYSA-N 2 2 232.318 2.058 20 0 BEADLP Cc1[nH+]cn([C@H]2CCC[C@@H](C)C2)c1CC[NH3+] ZINC001258806478 991807765 /nfs/dbraw/zinc/80/77/65/991807765.db2.gz AYLZEQQJSRIIIG-PWSUYJOCSA-N 2 2 221.348 2.444 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261297812 992260776 /nfs/dbraw/zinc/26/07/76/992260776.db2.gz PHAYISNJMVZJBR-UONOGXRCSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261297812 992260797 /nfs/dbraw/zinc/26/07/97/992260797.db2.gz PHAYISNJMVZJBR-UONOGXRCSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]1 ZINC001261422664 992292947 /nfs/dbraw/zinc/29/29/47/992292947.db2.gz CGOQPYMDHDSUQR-LRDDRELGSA-N 2 2 244.382 2.405 20 0 BEADLP C[C@]1([NH2+]Cc2ccc3cc[nH]c3c2)CC[NH2+]C1 ZINC001573627029 992658140 /nfs/dbraw/zinc/65/81/40/992658140.db2.gz UZMGDJKJJUQDKW-AWEZNQCLSA-N 2 2 229.327 2.010 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(F)F ZINC001262160395 992723695 /nfs/dbraw/zinc/72/36/95/992723695.db2.gz DHPXOBQHPVMBTI-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(F)F ZINC001262160395 992723702 /nfs/dbraw/zinc/72/37/02/992723702.db2.gz DHPXOBQHPVMBTI-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP CCc1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]c1 ZINC001262697673 993039782 /nfs/dbraw/zinc/03/97/82/993039782.db2.gz VCTXQYMHZZUGMD-OAHLLOKOSA-N 2 2 245.370 2.176 20 0 BEADLP CCc1ccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]c1 ZINC001262697673 993039790 /nfs/dbraw/zinc/03/97/90/993039790.db2.gz VCTXQYMHZZUGMD-OAHLLOKOSA-N 2 2 245.370 2.176 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001576005544 993154635 /nfs/dbraw/zinc/15/46/35/993154635.db2.gz MCSGNCGBXRHXCY-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001576005544 993154645 /nfs/dbraw/zinc/15/46/45/993154645.db2.gz MCSGNCGBXRHXCY-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000378787647 993204240 /nfs/dbraw/zinc/20/42/40/993204240.db2.gz LZXDEBPYKKWCMI-NSHDSACASA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000378787647 993204252 /nfs/dbraw/zinc/20/42/52/993204252.db2.gz LZXDEBPYKKWCMI-NSHDSACASA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000378787640 993204991 /nfs/dbraw/zinc/20/49/91/993204991.db2.gz LZXDEBPYKKWCMI-LLVKDONJSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC000378787640 993204994 /nfs/dbraw/zinc/20/49/94/993204994.db2.gz LZXDEBPYKKWCMI-LLVKDONJSA-N 2 2 240.297 2.278 20 0 BEADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC000379437474 993243795 /nfs/dbraw/zinc/24/37/95/993243795.db2.gz MEQVXFVXJACDIY-DGCLKSJQSA-N 2 2 212.381 2.352 20 0 BEADLP CCCC1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC000379480770 993250238 /nfs/dbraw/zinc/25/02/38/993250238.db2.gz VDNUOCHQWIZHSR-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccn1C1CC1 ZINC001576748405 993412272 /nfs/dbraw/zinc/41/22/72/993412272.db2.gz KHTVDQMEMFSCDL-JMSVASOKSA-N 2 2 247.386 2.299 20 0 BEADLP C[NH2+]CC1C[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC000382361749 993452800 /nfs/dbraw/zinc/45/28/00/993452800.db2.gz JPHMUNAHXGMISO-UHFFFAOYSA-N 2 2 232.371 2.461 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389474942 993748788 /nfs/dbraw/zinc/74/87/88/993748788.db2.gz VWJZNAXREOIMIY-XJFOESAGSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389474942 993748783 /nfs/dbraw/zinc/74/87/83/993748783.db2.gz VWJZNAXREOIMIY-XJFOESAGSA-N 2 2 240.391 2.015 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000724784731 994076646 /nfs/dbraw/zinc/07/66/46/994076646.db2.gz NGZPNBVQAATDGS-WCQYABFASA-N 2 2 219.332 2.483 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000724784731 994076657 /nfs/dbraw/zinc/07/66/57/994076657.db2.gz NGZPNBVQAATDGS-WCQYABFASA-N 2 2 219.332 2.483 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC001621197573 1170735125 /nfs/dbraw/zinc/73/51/25/1170735125.db2.gz LJLBABLTKAPICS-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC001621197573 1170735131 /nfs/dbraw/zinc/73/51/31/1170735131.db2.gz LJLBABLTKAPICS-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CCC(CC)(CC)[NH2+]CCn1cc[nH+]c1 ZINC000131905946 168317796 /nfs/dbraw/zinc/31/77/96/168317796.db2.gz DWKFXCKVMMWKOS-UHFFFAOYSA-N 2 2 209.337 2.442 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421822589 398144735 /nfs/dbraw/zinc/14/47/35/398144735.db2.gz BACQIOMUAAQTBF-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421822589 398144738 /nfs/dbraw/zinc/14/47/38/398144738.db2.gz BACQIOMUAAQTBF-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]([NH2+]CCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272802823 398148457 /nfs/dbraw/zinc/14/84/57/398148457.db2.gz FDMXEZGEMJMLKJ-NSHDSACASA-N 2 2 233.290 2.492 20 0 BEADLP C(C1CC1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188548 349500594 /nfs/dbraw/zinc/50/05/94/349500594.db2.gz DBZBKECQPJYAAA-QWHCGFSZSA-N 2 2 208.349 2.003 20 0 BEADLP C(C1CC1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188548 349500598 /nfs/dbraw/zinc/50/05/98/349500598.db2.gz DBZBKECQPJYAAA-QWHCGFSZSA-N 2 2 208.349 2.003 20 0 BEADLP CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188284 349500695 /nfs/dbraw/zinc/50/06/95/349500695.db2.gz YBPBQUFGULXXQW-STQMWFEESA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188284 349500698 /nfs/dbraw/zinc/50/06/98/349500698.db2.gz YBPBQUFGULXXQW-STQMWFEESA-N 2 2 210.365 2.393 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)s1 ZINC000335252573 178004084 /nfs/dbraw/zinc/00/40/84/178004084.db2.gz UXJHFHVAOUKHIS-CABZTGNLSA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c(C)s1 ZINC000335252573 178004086 /nfs/dbraw/zinc/00/40/86/178004086.db2.gz UXJHFHVAOUKHIS-CABZTGNLSA-N 2 2 224.373 2.286 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)[NH+](C)C ZINC000379511445 398151265 /nfs/dbraw/zinc/15/12/65/398151265.db2.gz SDNVIYNQAVQXMG-MNOVXSKESA-N 2 2 200.370 2.208 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000339406851 398156763 /nfs/dbraw/zinc/15/67/63/398156763.db2.gz GTBZJCOSURNUMC-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000339406851 398156768 /nfs/dbraw/zinc/15/67/68/398156768.db2.gz GTBZJCOSURNUMC-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1CCC(F)(F)CC1 ZINC000390078642 398157869 /nfs/dbraw/zinc/15/78/69/398157869.db2.gz XZVSNNHKMSQRFW-UHFFFAOYSA-N 2 2 234.334 2.496 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cs1 ZINC000296561875 178023016 /nfs/dbraw/zinc/02/30/16/178023016.db2.gz VGWVYWHHZUIYPB-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cs1 ZINC000296561875 178023020 /nfs/dbraw/zinc/02/30/20/178023020.db2.gz VGWVYWHHZUIYPB-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccn1 ZINC000415119853 398163815 /nfs/dbraw/zinc/16/38/15/398163815.db2.gz XXKWNRLXRBBYFI-NWDGAFQWSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000423174148 398164410 /nfs/dbraw/zinc/16/44/10/398164410.db2.gz BLFNDFKFAGZCCW-QNWHQSFQSA-N 2 2 228.355 2.387 20 0 BEADLP CCC[C@H](C[NH2+][C@@H](CC(C)C)C[NH+](C)C)OC ZINC000386168153 398199218 /nfs/dbraw/zinc/19/92/18/398199218.db2.gz WARVGZQIOCBUEO-UONOGXRCSA-N 2 2 244.423 2.367 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000227440410 178087616 /nfs/dbraw/zinc/08/76/16/178087616.db2.gz PIIOEOHJHJFETJ-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000227440410 178087618 /nfs/dbraw/zinc/08/76/18/178087618.db2.gz PIIOEOHJHJFETJ-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313304713 398194225 /nfs/dbraw/zinc/19/42/25/398194225.db2.gz RNYSJRGLBRHYGW-NSHDSACASA-N 2 2 223.364 2.377 20 0 BEADLP Cc1cc(N2CC[C@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000301175337 178119590 /nfs/dbraw/zinc/11/95/90/178119590.db2.gz WJCMAXJEBCOUJH-LBPRGKRZSA-N 2 2 248.374 2.049 20 0 BEADLP Cc1cc(NC(=O)CCC2CC[NH2+]CC2)cc[nH+]1 ZINC000092349713 178128729 /nfs/dbraw/zinc/12/87/29/178128729.db2.gz FYXSVGUNNVJEGI-UHFFFAOYSA-N 2 2 247.342 2.108 20 0 BEADLP Cc1cc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc[nH+]1 ZINC000261555942 178134856 /nfs/dbraw/zinc/13/48/56/178134856.db2.gz BSUVVLQWWLXKQY-DGCLKSJQSA-N 2 2 247.342 2.236 20 0 BEADLP Cc1cc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc[nH+]1 ZINC000235853200 178149176 /nfs/dbraw/zinc/14/91/76/178149176.db2.gz MDUHDSNUZRXHLI-GFCCVEGCSA-N 2 2 247.342 2.107 20 0 BEADLP Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)nc[nH+]1 ZINC000110250093 178154999 /nfs/dbraw/zinc/15/49/99/178154999.db2.gz GLRDWZALUFDMAY-UHFFFAOYSA-N 2 2 248.374 2.460 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000037647712 178166991 /nfs/dbraw/zinc/16/69/91/178166991.db2.gz WMXGFIAQFCJCFX-LBPRGKRZSA-N 2 2 248.374 2.272 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000037647712 178166994 /nfs/dbraw/zinc/16/69/94/178166994.db2.gz WMXGFIAQFCJCFX-LBPRGKRZSA-N 2 2 248.374 2.272 20 0 BEADLP COC1CC[NH+](CC[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000163721436 538930248 /nfs/dbraw/zinc/93/02/48/538930248.db2.gz BZAOWJAZEKAVAX-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc[nH+]1 ZINC000301546970 178184160 /nfs/dbraw/zinc/18/41/60/178184160.db2.gz FELURWJRLGSAGO-LLVKDONJSA-N 2 2 236.363 2.173 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301564537 178188971 /nfs/dbraw/zinc/18/89/71/178188971.db2.gz JHFKXACJAILZKR-NWDGAFQWSA-N 2 2 234.347 2.070 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430562739 398228344 /nfs/dbraw/zinc/22/83/44/398228344.db2.gz GBSRSPIYWXOXMX-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430562739 398228345 /nfs/dbraw/zinc/22/83/45/398228345.db2.gz GBSRSPIYWXOXMX-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)oc1C ZINC000282025613 178225335 /nfs/dbraw/zinc/22/53/35/178225335.db2.gz FFQMDPZPJAWWLW-LLVKDONJSA-N 2 2 224.348 2.499 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)c(C)o1 ZINC000041119420 178248338 /nfs/dbraw/zinc/24/83/38/178248338.db2.gz UAIAXSXXKOXNRF-NSHDSACASA-N 2 2 233.315 2.444 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cs1 ZINC000335061925 178258777 /nfs/dbraw/zinc/25/87/77/178258777.db2.gz WRAMCWXXBBBGDQ-ONGXEEELSA-N 2 2 210.346 2.069 20 0 BEADLP CCC(CC)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000124764321 168362317 /nfs/dbraw/zinc/36/23/17/168362317.db2.gz HBSKVUFGOZJIGH-UHFFFAOYSA-N 2 2 238.379 2.012 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)on1 ZINC000336723269 178265769 /nfs/dbraw/zinc/26/57/69/178265769.db2.gz YYEONRHMIUVXIE-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)on1 ZINC000336723269 178265771 /nfs/dbraw/zinc/26/57/71/178265771.db2.gz YYEONRHMIUVXIE-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP CCC(CC)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000019959779 168361911 /nfs/dbraw/zinc/36/19/11/168361911.db2.gz UXLNOHDOYOXABN-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000019959779 168361914 /nfs/dbraw/zinc/36/19/14/168361914.db2.gz UXLNOHDOYOXABN-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000286040291 538943290 /nfs/dbraw/zinc/94/32/90/538943290.db2.gz JTICUFZKIFKWJI-NSHDSACASA-N 2 2 230.315 2.006 20 0 BEADLP C[NH+](C)CCSCc1c[nH+]c2ccccn12 ZINC000179906957 398246052 /nfs/dbraw/zinc/24/60/52/398246052.db2.gz UPWSNMNRKUBYLZ-UHFFFAOYSA-N 2 2 235.356 2.129 20 0 BEADLP Cc1cc(NCc2c[nH+]cn2C)nc(C2CC2)[nH+]1 ZINC000291066425 538946803 /nfs/dbraw/zinc/94/68/03/538946803.db2.gz GKZLISPLFRYGBP-UHFFFAOYSA-N 2 2 243.314 2.008 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(F)(F)F ZINC000576718112 365668888 /nfs/dbraw/zinc/66/88/88/365668888.db2.gz RTXIOHARIZNHRP-UHFFFAOYSA-N 2 2 236.281 2.142 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(F)(F)F ZINC000576718112 365668892 /nfs/dbraw/zinc/66/88/92/365668892.db2.gz RTXIOHARIZNHRP-UHFFFAOYSA-N 2 2 236.281 2.142 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000178309941 538952850 /nfs/dbraw/zinc/95/28/50/538952850.db2.gz WOIJDRFBXNISEC-HNNXBMFYSA-N 2 2 248.345 2.498 20 0 BEADLP CC(C)CC[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000179314066 538954789 /nfs/dbraw/zinc/95/47/89/538954789.db2.gz YDMYHIBVOMUWAB-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)CC[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000179314066 538954790 /nfs/dbraw/zinc/95/47/90/538954790.db2.gz YDMYHIBVOMUWAB-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165180463 361834864 /nfs/dbraw/zinc/83/48/64/361834864.db2.gz MGYFFDOLNRCOOZ-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000378915477 346857282 /nfs/dbraw/zinc/85/72/82/346857282.db2.gz LVKNTQZQZQQJOK-AGIUHOORSA-N 2 2 219.332 2.051 20 0 BEADLP CC1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000231787630 342693300 /nfs/dbraw/zinc/69/33/00/342693300.db2.gz ACMUZVBLEAITGB-UHFFFAOYSA-N 2 2 207.321 2.051 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](Cc3ccncc3)C2)c[nH+]1 ZINC000607753688 342789923 /nfs/dbraw/zinc/78/99/23/342789923.db2.gz CCGOMRWBFDFVQF-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn([C@H]2CCC[N@H+](Cc3ccncc3)C2)c[nH+]1 ZINC000607753688 342789924 /nfs/dbraw/zinc/78/99/24/342789924.db2.gz CCGOMRWBFDFVQF-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671990 538972785 /nfs/dbraw/zinc/97/27/85/538972785.db2.gz UGZQQQIZBXQTIT-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671990 538972786 /nfs/dbraw/zinc/97/27/86/538972786.db2.gz UGZQQQIZBXQTIT-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000040672002 538972850 /nfs/dbraw/zinc/97/28/50/538972850.db2.gz HWFATSWGCOAGKJ-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040672002 538972851 /nfs/dbraw/zinc/97/28/51/538972851.db2.gz HWFATSWGCOAGKJ-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP Cn1cc[nH+]c1-c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000630052451 361920899 /nfs/dbraw/zinc/92/08/99/361920899.db2.gz JMFJLPSOVFGGCF-CYBMUJFWSA-N 2 2 227.311 2.164 20 0 BEADLP Cn1cc[nH+]c1-c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000630052453 361921252 /nfs/dbraw/zinc/92/12/52/361921252.db2.gz JMFJLPSOVFGGCF-ZDUSSCGKSA-N 2 2 227.311 2.164 20 0 BEADLP CO[C@@H](c1ccc(-c2[nH+]ccn2C)cc1)[C@H](C)[NH3+] ZINC000630052936 361922129 /nfs/dbraw/zinc/92/21/29/361922129.db2.gz NRLNCKAMTWUVDY-GXFFZTMASA-N 2 2 245.326 2.122 20 0 BEADLP CC[C@@H]([NH3+])Cc1ccc(-c2[nH+]ccn2C)cc1 ZINC000630053251 361922176 /nfs/dbraw/zinc/92/21/76/361922176.db2.gz RCIOQXLHMCIYBE-CYBMUJFWSA-N 2 2 229.327 2.367 20 0 BEADLP Cn1cc[nH+]c1-c1ccc2c(c1)[C@H]([NH3+])CSC2 ZINC000630053660 361923328 /nfs/dbraw/zinc/92/33/28/361923328.db2.gz XRFXBWAPFMZXKW-GFCCVEGCSA-N 2 2 245.351 2.334 20 0 BEADLP Clc1cscc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380073987 538985043 /nfs/dbraw/zinc/98/50/43/538985043.db2.gz GJRNZCJOAILHRA-IUCAKERBSA-N 2 2 242.775 2.053 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381479846 539001770 /nfs/dbraw/zinc/00/17/70/539001770.db2.gz SGCRXECDIMOWTJ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381479846 539001771 /nfs/dbraw/zinc/00/17/71/539001771.db2.gz SGCRXECDIMOWTJ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000381479851 539001853 /nfs/dbraw/zinc/00/18/53/539001853.db2.gz SGCRXECDIMOWTJ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000381479851 539001854 /nfs/dbraw/zinc/00/18/54/539001854.db2.gz SGCRXECDIMOWTJ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000381647616 539006163 /nfs/dbraw/zinc/00/61/63/539006163.db2.gz CASKNXNUNIVDPF-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000381647616 539006165 /nfs/dbraw/zinc/00/61/65/539006165.db2.gz CASKNXNUNIVDPF-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383956370 539012219 /nfs/dbraw/zinc/01/22/19/539012219.db2.gz HECQOAKWMCXCCV-GMTAPVOTSA-N 2 2 244.329 2.389 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383956370 539012222 /nfs/dbraw/zinc/01/22/22/539012222.db2.gz HECQOAKWMCXCCV-GMTAPVOTSA-N 2 2 244.329 2.389 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000381419588 539000374 /nfs/dbraw/zinc/00/03/74/539000374.db2.gz WWZRDGNWYFIDPF-RDBSUJKOSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419588 539000375 /nfs/dbraw/zinc/00/03/75/539000375.db2.gz WWZRDGNWYFIDPF-RDBSUJKOSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000062948546 539017480 /nfs/dbraw/zinc/01/74/80/539017480.db2.gz HPAUANATDMMYES-YVECIDJPSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000062948546 539017482 /nfs/dbraw/zinc/01/74/82/539017482.db2.gz HPAUANATDMMYES-YVECIDJPSA-N 2 2 210.365 2.105 20 0 BEADLP FC1(F)CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000259672462 488185639 /nfs/dbraw/zinc/18/56/39/488185639.db2.gz YNQVSJAATCLIKY-NSHDSACASA-N 2 2 232.318 2.107 20 0 BEADLP FC1(F)CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000259672462 488185644 /nfs/dbraw/zinc/18/56/44/488185644.db2.gz YNQVSJAATCLIKY-NSHDSACASA-N 2 2 232.318 2.107 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)n1C ZINC000668013190 488186211 /nfs/dbraw/zinc/18/62/11/488186211.db2.gz RZMXBMLXFXZUPL-DGCLKSJQSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CCC[C@H]32)n1C ZINC000668013190 488186215 /nfs/dbraw/zinc/18/62/15/488186215.db2.gz RZMXBMLXFXZUPL-DGCLKSJQSA-N 2 2 219.332 2.103 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037320254 342926764 /nfs/dbraw/zinc/92/67/64/342926764.db2.gz JYXIWNXSCDVXHB-VXGBXAGGSA-N 2 2 209.337 2.440 20 0 BEADLP CC(C)c1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000037267948 342927342 /nfs/dbraw/zinc/92/73/42/342927342.db2.gz PSNTZUOJBUVLGJ-UHFFFAOYSA-N 2 2 206.333 2.201 20 0 BEADLP CC(C)c1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000037267948 342927343 /nfs/dbraw/zinc/92/73/43/342927343.db2.gz PSNTZUOJBUVLGJ-UHFFFAOYSA-N 2 2 206.333 2.201 20 0 BEADLP CCCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256241 259332109 /nfs/dbraw/zinc/33/21/09/259332109.db2.gz SOAKUBAXUDCBEG-NSHDSACASA-N 2 2 209.337 2.131 20 0 BEADLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1C ZINC000313261478 259331859 /nfs/dbraw/zinc/33/18/59/259331859.db2.gz AQMSHRBIVWOCKO-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[N@@H+]1C ZINC000306328391 398339635 /nfs/dbraw/zinc/33/96/35/398339635.db2.gz NIJPXCLERMPTQK-TZMCWYRMSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCC[N@H+]1C ZINC000306328391 398339636 /nfs/dbraw/zinc/33/96/36/398339636.db2.gz NIJPXCLERMPTQK-TZMCWYRMSA-N 2 2 218.344 2.259 20 0 BEADLP Cc1cccc(N2CC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000157375309 398340284 /nfs/dbraw/zinc/34/02/84/398340284.db2.gz LVGOTGMTVPPEOW-CYBMUJFWSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cccc(N2CC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000157375144 398340298 /nfs/dbraw/zinc/34/02/98/398340298.db2.gz LVGOTGMTVPPEOW-ZDUSSCGKSA-N 2 2 231.343 2.065 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1F ZINC000313270672 259332777 /nfs/dbraw/zinc/33/27/77/259332777.db2.gz BQSJOKFYIJGDEU-NSHDSACASA-N 2 2 247.317 2.453 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000576814645 365690848 /nfs/dbraw/zinc/69/08/48/365690848.db2.gz IQZKJRNCYSLXJY-IUCAKERBSA-N 2 2 239.388 2.236 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000020127480 342970767 /nfs/dbraw/zinc/97/07/67/342970767.db2.gz YHROHFSMBVVDNX-GFCCVEGCSA-N 2 2 233.359 2.217 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC[C@@H](C)O)c[nH+]1 ZINC000355130653 187211729 /nfs/dbraw/zinc/21/17/29/187211729.db2.gz XUFIMRDSDJGORP-CYBMUJFWSA-N 2 2 236.359 2.073 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000308786233 346911709 /nfs/dbraw/zinc/91/17/09/346911709.db2.gz FQCPJTFBUYOTGD-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000308786233 346911712 /nfs/dbraw/zinc/91/17/12/346911712.db2.gz FQCPJTFBUYOTGD-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCSCC[C@H]2C)n1C ZINC000668055517 488195801 /nfs/dbraw/zinc/19/58/01/488195801.db2.gz DLDYLTHZIOYKFB-SNVBAGLBSA-N 2 2 239.388 2.056 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCSCC[C@H]2C)n1C ZINC000668055517 488195804 /nfs/dbraw/zinc/19/58/04/488195804.db2.gz DLDYLTHZIOYKFB-SNVBAGLBSA-N 2 2 239.388 2.056 20 0 BEADLP C[C@@H](F)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351875393 136261012 /nfs/dbraw/zinc/26/10/12/136261012.db2.gz LPONVKOGHCQZDG-GHMZBOCLSA-N 2 2 225.311 2.337 20 0 BEADLP C[C@@H](F)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351875393 136261013 /nfs/dbraw/zinc/26/10/13/136261013.db2.gz LPONVKOGHCQZDG-GHMZBOCLSA-N 2 2 225.311 2.337 20 0 BEADLP CC1(C)CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000309465549 259343259 /nfs/dbraw/zinc/34/32/59/259343259.db2.gz PVHAKMIGXWYDNR-UHFFFAOYSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000235459201 259344014 /nfs/dbraw/zinc/34/40/14/259344014.db2.gz NAJHOUWOCXZKOB-RQJHMYQMSA-N 2 2 218.753 2.399 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131384592 343183808 /nfs/dbraw/zinc/18/38/08/343183808.db2.gz VDAQOQAWXANPQA-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131384592 343183809 /nfs/dbraw/zinc/18/38/09/343183809.db2.gz VDAQOQAWXANPQA-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2ncccc12 ZINC000634688585 343249046 /nfs/dbraw/zinc/24/90/46/343249046.db2.gz WZOVCFVKJCJQAJ-YPMHNXCESA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2ncccc12 ZINC000634688585 343249048 /nfs/dbraw/zinc/24/90/48/343249048.db2.gz WZOVCFVKJCJQAJ-YPMHNXCESA-N 2 2 241.338 2.156 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000035136883 343286444 /nfs/dbraw/zinc/28/64/44/343286444.db2.gz RHDNYAOSPWXNJW-NSHDSACASA-N 2 2 222.332 2.415 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cs1 ZINC000335615367 136296026 /nfs/dbraw/zinc/29/60/26/136296026.db2.gz ACZNJSHOBUYXIK-KOLCDFICSA-N 2 2 239.388 2.244 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)s1 ZINC000070600361 343333753 /nfs/dbraw/zinc/33/37/53/343333753.db2.gz UGLCHBSZAKFNHR-ZETCQYMHSA-N 2 2 218.753 2.228 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000036996839 343330176 /nfs/dbraw/zinc/33/01/76/343330176.db2.gz BDWFGICOJHVPJC-AEGPPILISA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000036996839 343330177 /nfs/dbraw/zinc/33/01/77/343330177.db2.gz BDWFGICOJHVPJC-AEGPPILISA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1 ZINC000035275009 343291725 /nfs/dbraw/zinc/29/17/25/343291725.db2.gz HNMBQQZZNFAFJN-LLVKDONJSA-N 2 2 233.290 2.201 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000035657939 343301669 /nfs/dbraw/zinc/30/16/69/343301669.db2.gz QSEAJSWVYCQMIJ-MRXNPFEDSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000035657939 343301670 /nfs/dbraw/zinc/30/16/70/343301670.db2.gz QSEAJSWVYCQMIJ-MRXNPFEDSA-N 2 2 244.382 2.228 20 0 BEADLP C[C@H](C[NH2+]Cc1ccco1)C[NH+]1CCCCC1 ZINC000037997558 343364733 /nfs/dbraw/zinc/36/47/33/343364733.db2.gz XPOHCMHTWOGYFJ-CYBMUJFWSA-N 2 2 236.359 2.491 20 0 BEADLP C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038088064 343369914 /nfs/dbraw/zinc/36/99/14/343369914.db2.gz DQSQKCLUEGPBDG-OLZOCXBDSA-N 2 2 220.360 2.330 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335634958 136300518 /nfs/dbraw/zinc/30/05/18/136300518.db2.gz IDXJBQANFLBVJW-ZANVPECISA-N 2 2 240.297 2.052 20 0 BEADLP C[NH+]1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000037117268 343334764 /nfs/dbraw/zinc/33/47/64/343334764.db2.gz CACGLFUGIGEFME-AWEZNQCLSA-N 2 2 246.354 2.194 20 0 BEADLP CO[C@@H](C)C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000348838457 136301921 /nfs/dbraw/zinc/30/19/21/136301921.db2.gz PJQCSBCLJNDBJO-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP CO[C@@H](C)C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000348838457 136301922 /nfs/dbraw/zinc/30/19/22/136301922.db2.gz PJQCSBCLJNDBJO-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP C[C@H]1C[C@@H]1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348838067 136302281 /nfs/dbraw/zinc/30/22/81/136302281.db2.gz LUKKZUFAGWMUCU-WCQYABFASA-N 2 2 242.326 2.394 20 0 BEADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000335643207 136303599 /nfs/dbraw/zinc/30/35/99/136303599.db2.gz LZDHFNHIUCFSBC-NSHDSACASA-N 2 2 230.311 2.193 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000335673921 136317904 /nfs/dbraw/zinc/31/79/04/136317904.db2.gz DRFIAXWTHXETJJ-UHFFFAOYSA-N 2 2 230.355 2.275 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000335673921 136317905 /nfs/dbraw/zinc/31/79/05/136317905.db2.gz DRFIAXWTHXETJJ-UHFFFAOYSA-N 2 2 230.355 2.275 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000335677322 136318893 /nfs/dbraw/zinc/31/88/93/136318893.db2.gz HUCSPPQRQNYPRS-WCQYABFASA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000335677322 136318894 /nfs/dbraw/zinc/31/88/94/136318894.db2.gz HUCSPPQRQNYPRS-WCQYABFASA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000041064044 343414736 /nfs/dbraw/zinc/41/47/36/343414736.db2.gz LWLXJPOJTQTDCB-LLVKDONJSA-N 2 2 233.290 2.373 20 0 BEADLP Cc1ncccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349387004 136343938 /nfs/dbraw/zinc/34/39/38/136343938.db2.gz UGCUJRWKNRFDSQ-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1ncccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349387004 136343939 /nfs/dbraw/zinc/34/39/39/136343939.db2.gz UGCUJRWKNRFDSQ-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000349420126 136345183 /nfs/dbraw/zinc/34/51/83/136345183.db2.gz QHRCBLUQIWKNQP-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000349420126 136345184 /nfs/dbraw/zinc/34/51/84/136345184.db2.gz QHRCBLUQIWKNQP-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000349420130 136345187 /nfs/dbraw/zinc/34/51/87/136345187.db2.gz QHRCBLUQIWKNQP-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000349420130 136345188 /nfs/dbraw/zinc/34/51/88/136345188.db2.gz QHRCBLUQIWKNQP-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@H](C)[C@H](O)C2)c[nH+]1 ZINC000349354834 136342786 /nfs/dbraw/zinc/34/27/86/136342786.db2.gz UBTKDBFPNNNKJA-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C)[C@H](O)C2)c[nH+]1 ZINC000349354834 136342787 /nfs/dbraw/zinc/34/27/87/136342787.db2.gz UBTKDBFPNNNKJA-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000082594794 343450640 /nfs/dbraw/zinc/45/06/40/343450640.db2.gz BZVOCZWDKKOOJM-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000082594794 343450642 /nfs/dbraw/zinc/45/06/42/343450642.db2.gz BZVOCZWDKKOOJM-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000350480757 136361032 /nfs/dbraw/zinc/36/10/32/136361032.db2.gz PXBHVJBBTISCEQ-XUJVJEKNSA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccncc1 ZINC000350480757 136361033 /nfs/dbraw/zinc/36/10/33/136361033.db2.gz PXBHVJBBTISCEQ-XUJVJEKNSA-N 2 2 245.370 2.215 20 0 BEADLP CC[N@@H+]1CCC[C@H]1CNc1cc(C)cc[nH+]1 ZINC000043561431 343477892 /nfs/dbraw/zinc/47/78/92/343477892.db2.gz DIYSCTZCPUOLDC-LBPRGKRZSA-N 2 2 219.332 2.286 20 0 BEADLP CC[N@H+]1CCC[C@H]1CNc1cc(C)cc[nH+]1 ZINC000043561431 343477894 /nfs/dbraw/zinc/47/78/94/343477894.db2.gz DIYSCTZCPUOLDC-LBPRGKRZSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)n1C ZINC000577006240 365753640 /nfs/dbraw/zinc/75/36/40/365753640.db2.gz OXOZYSQNLNULDE-JSGCOSHPSA-N 2 2 233.359 2.254 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000070975897 343579767 /nfs/dbraw/zinc/57/97/67/343579767.db2.gz RVRUAEHKQRRUMV-OAHLLOKOSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000070975897 343579768 /nfs/dbraw/zinc/57/97/68/343579768.db2.gz RVRUAEHKQRRUMV-OAHLLOKOSA-N 2 2 247.386 2.087 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCC1 ZINC000387618415 346948708 /nfs/dbraw/zinc/94/87/08/346948708.db2.gz BCBAHOOOQAQDOW-DGCLKSJQSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000049553101 343602041 /nfs/dbraw/zinc/60/20/41/343602041.db2.gz XJAGGURWCVNXHL-RYUDHWBXSA-N 2 2 221.348 2.072 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccco1 ZINC000044534430 187267993 /nfs/dbraw/zinc/26/79/93/187267993.db2.gz HHYRHSBHXNDFLI-VXGBXAGGSA-N 2 2 222.332 2.272 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccco1 ZINC000044534430 187267995 /nfs/dbraw/zinc/26/79/95/187267995.db2.gz HHYRHSBHXNDFLI-VXGBXAGGSA-N 2 2 222.332 2.272 20 0 BEADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000287019405 187346110 /nfs/dbraw/zinc/34/61/10/187346110.db2.gz LBASJBNQHHAJIE-HNNXBMFYSA-N 2 2 234.387 2.405 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CC1 ZINC000584183395 343770709 /nfs/dbraw/zinc/77/07/09/343770709.db2.gz HKFTVLPKXZIJQP-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000235213156 187273821 /nfs/dbraw/zinc/27/38/21/187273821.db2.gz DHPRGVVCQDGMFA-ZWNOBZJWSA-N 2 2 222.307 2.228 20 0 BEADLP CC[N@H+](CC[NH2+]CC1(C)CCC1)C1CC1 ZINC000336680168 537822986 /nfs/dbraw/zinc/82/29/86/537822986.db2.gz IWDVWUWIXJXEJT-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](CC[NH2+]CC1(C)CCC1)C1CC1 ZINC000336680168 537822998 /nfs/dbraw/zinc/82/29/98/537822998.db2.gz IWDVWUWIXJXEJT-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336726998 537830038 /nfs/dbraw/zinc/83/00/38/537830038.db2.gz BXTKRDIEAPPTBO-RTXFEEFZSA-N 2 2 219.332 2.050 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621776673 343899632 /nfs/dbraw/zinc/89/96/32/343899632.db2.gz SESFCKNLZNRAHN-SKDRFNHKSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cncc(Cl)c1 ZINC000621776673 343899633 /nfs/dbraw/zinc/89/96/33/343899633.db2.gz SESFCKNLZNRAHN-SKDRFNHKSA-N 2 2 239.750 2.047 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784542 343907607 /nfs/dbraw/zinc/90/76/07/343907607.db2.gz QLJQPEIFCDXBNM-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784542 343907610 /nfs/dbraw/zinc/90/76/10/343907610.db2.gz QLJQPEIFCDXBNM-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP FC1(F)CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000625770627 344066130 /nfs/dbraw/zinc/06/61/30/344066130.db2.gz ZLJAFETWEFJHFM-UHFFFAOYSA-N 2 2 229.274 2.004 20 0 BEADLP FC1(F)CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000625770627 344066133 /nfs/dbraw/zinc/06/61/33/344066133.db2.gz ZLJAFETWEFJHFM-UHFFFAOYSA-N 2 2 229.274 2.004 20 0 BEADLP Fc1c[nH+]ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000641342203 362370728 /nfs/dbraw/zinc/37/07/28/362370728.db2.gz BXMBAGQOAJSYDM-NSHDSACASA-N 2 2 246.289 2.259 20 0 BEADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]cc1F ZINC000641394832 362389450 /nfs/dbraw/zinc/38/94/50/362389450.db2.gz UBUWSXFVKKKRQQ-UHFFFAOYSA-N 2 2 248.305 2.040 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1 ZINC000042437369 344452853 /nfs/dbraw/zinc/45/28/53/344452853.db2.gz UXCSPUMBEMMLRG-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042437369 344452857 /nfs/dbraw/zinc/45/28/57/344452857.db2.gz UXCSPUMBEMMLRG-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000387516558 344573523 /nfs/dbraw/zinc/57/35/23/344573523.db2.gz JIJZPYWLKZDUOD-CYBMUJFWSA-N 2 2 221.348 2.442 20 0 BEADLP CCc1[nH+]c(C)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000395830738 344564624 /nfs/dbraw/zinc/56/46/24/344564624.db2.gz UWWGAUDOINEZIR-LBPRGKRZSA-N 2 2 234.343 2.331 20 0 BEADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451567 362425680 /nfs/dbraw/zinc/42/56/80/362425680.db2.gz YYMZIARMLZVRFL-DGCLKSJQSA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451567 362425685 /nfs/dbraw/zinc/42/56/85/362425685.db2.gz YYMZIARMLZVRFL-DGCLKSJQSA-N 2 2 249.333 2.141 20 0 BEADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]cn2C)oc1C ZINC000289749566 537849638 /nfs/dbraw/zinc/84/96/38/537849638.db2.gz KZMLBAKFXBGMJR-JTQLQIEISA-N 2 2 233.315 2.481 20 0 BEADLP C[NH2+]Cc1ccc(-c2[nH+]ccn2C)cc1C ZINC000395358179 362489047 /nfs/dbraw/zinc/48/90/47/362489047.db2.gz KPOASJALBIYYKJ-UHFFFAOYSA-N 2 2 215.300 2.115 20 0 BEADLP C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152701336 344671482 /nfs/dbraw/zinc/67/14/82/344671482.db2.gz CARWCVHRFADFCV-GEEKYZPCSA-N 2 2 248.414 2.450 20 0 BEADLP C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152701336 344671483 /nfs/dbraw/zinc/67/14/83/344671483.db2.gz CARWCVHRFADFCV-GEEKYZPCSA-N 2 2 248.414 2.450 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000165911893 537860866 /nfs/dbraw/zinc/86/08/66/537860866.db2.gz SSUCTAXJLDISFV-PWSUYJOCSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000165911893 537860874 /nfs/dbraw/zinc/86/08/74/537860874.db2.gz SSUCTAXJLDISFV-PWSUYJOCSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1[nH+]ccn1CCCCNc1cc[nH+]c(C)n1 ZINC000078336253 344848398 /nfs/dbraw/zinc/84/83/98/344848398.db2.gz CZRHXKTWTHMEPW-UHFFFAOYSA-N 2 2 245.330 2.182 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000234769057 537871036 /nfs/dbraw/zinc/87/10/36/537871036.db2.gz BMKAVKMCJKZCNH-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000234769057 537871046 /nfs/dbraw/zinc/87/10/46/537871046.db2.gz BMKAVKMCJKZCNH-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304597860 344953376 /nfs/dbraw/zinc/95/33/76/344953376.db2.gz QDGFRCIEMGHVEV-RVMXOQNASA-N 2 2 219.332 2.050 20 0 BEADLP Cc1nc(C)c(C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000628201771 344977614 /nfs/dbraw/zinc/97/76/14/344977614.db2.gz UEPATIFGGPAMDX-UHFFFAOYSA-N 2 2 239.363 2.111 20 0 BEADLP Cc1nc(C)c(C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000628201771 344977616 /nfs/dbraw/zinc/97/76/16/344977616.db2.gz UEPATIFGGPAMDX-UHFFFAOYSA-N 2 2 239.363 2.111 20 0 BEADLP CC(C)C[N@H+](C)CCCNc1cc[nH+]cc1F ZINC000641650827 362575899 /nfs/dbraw/zinc/57/58/99/362575899.db2.gz WRQDWXWOMWEBQI-UHFFFAOYSA-N 2 2 239.338 2.032 20 0 BEADLP CC(C)C[N@@H+](C)CCCNc1cc[nH+]cc1F ZINC000641650827 362575904 /nfs/dbraw/zinc/57/59/04/362575904.db2.gz WRQDWXWOMWEBQI-UHFFFAOYSA-N 2 2 239.338 2.032 20 0 BEADLP FC(F)c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000156080844 345123558 /nfs/dbraw/zinc/12/35/58/345123558.db2.gz KZBZADCBVWQSDE-UHFFFAOYSA-N 2 2 240.297 2.420 20 0 BEADLP FC(F)c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000156080844 345123562 /nfs/dbraw/zinc/12/35/62/345123562.db2.gz KZBZADCBVWQSDE-UHFFFAOYSA-N 2 2 240.297 2.420 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993305 345189652 /nfs/dbraw/zinc/18/96/52/345189652.db2.gz QAFCZBONCHQUDX-NFOMZHRRSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993305 345189654 /nfs/dbraw/zinc/18/96/54/345189654.db2.gz QAFCZBONCHQUDX-NFOMZHRRSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[C@H](C)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634991348 345176591 /nfs/dbraw/zinc/17/65/91/345176591.db2.gz ANBLUGWBKBILEG-DCBWTQNWSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@H](C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634991348 345176594 /nfs/dbraw/zinc/17/65/94/345176594.db2.gz ANBLUGWBKBILEG-DCBWTQNWSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991703 345178362 /nfs/dbraw/zinc/17/83/62/345178362.db2.gz OVQSRMYJPGYWGT-MOKVOYLWSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991703 345178363 /nfs/dbraw/zinc/17/83/63/345178363.db2.gz OVQSRMYJPGYWGT-MOKVOYLWSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C[C@H](C)C1 ZINC000634993579 345190560 /nfs/dbraw/zinc/19/05/60/345190560.db2.gz YOOQFVKJAXRWSI-MRFVTOPCSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C[C@H](C)C1 ZINC000634993579 345190562 /nfs/dbraw/zinc/19/05/62/345190562.db2.gz YOOQFVKJAXRWSI-MRFVTOPCSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992661 345181317 /nfs/dbraw/zinc/18/13/17/345181317.db2.gz XAZFOCFZZGLMEL-VEAWUBTESA-N 2 2 242.366 2.358 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992661 345181318 /nfs/dbraw/zinc/18/13/18/345181318.db2.gz XAZFOCFZZGLMEL-VEAWUBTESA-N 2 2 242.366 2.358 20 0 BEADLP CC[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993460 345190780 /nfs/dbraw/zinc/19/07/80/345190780.db2.gz VMISKNMIBQOOAJ-IYXRBSQSSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993460 345190783 /nfs/dbraw/zinc/19/07/83/345190783.db2.gz VMISKNMIBQOOAJ-IYXRBSQSSA-N 2 2 222.376 2.251 20 0 BEADLP CCc1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995570 345185424 /nfs/dbraw/zinc/18/54/24/345185424.db2.gz ISJYGCCKHQFZQB-UHFFFAOYSA-N 2 2 230.355 2.091 20 0 BEADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000225574836 345160355 /nfs/dbraw/zinc/16/03/55/345160355.db2.gz QRRYNSSHMWMHIQ-KGLIPLIRSA-N 2 2 218.344 2.431 20 0 BEADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000225574836 345160358 /nfs/dbraw/zinc/16/03/58/345160358.db2.gz QRRYNSSHMWMHIQ-KGLIPLIRSA-N 2 2 218.344 2.431 20 0 BEADLP FC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000635002489 345203853 /nfs/dbraw/zinc/20/38/53/345203853.db2.gz SKJFFFMUMDMXDD-CYBMUJFWSA-N 2 2 240.297 2.178 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)o1 ZINC000635006475 345210526 /nfs/dbraw/zinc/21/05/26/345210526.db2.gz BNAMEDXYQAJEOW-SNVBAGLBSA-N 2 2 231.299 2.246 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000635008496 345215691 /nfs/dbraw/zinc/21/56/91/345215691.db2.gz KIBDKTRYQPWGGP-QWHCGFSZSA-N 2 2 222.332 2.338 20 0 BEADLP CCN(CCC[NH+]1CCCC1)c1cccc[nH+]1 ZINC000425260107 192086436 /nfs/dbraw/zinc/08/64/36/192086436.db2.gz WJVPYFATODCZKG-UHFFFAOYSA-N 2 2 233.359 2.394 20 0 BEADLP Cc1scc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000635022995 345222071 /nfs/dbraw/zinc/22/20/71/345222071.db2.gz QUACPLZNOIASHO-NOZJJQNGSA-N 2 2 238.400 2.453 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000132203684 345321902 /nfs/dbraw/zinc/32/19/02/345321902.db2.gz CRMQVBJOYAGLCM-SNVBAGLBSA-N 2 2 239.388 2.278 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CS1 ZINC000336652893 187305273 /nfs/dbraw/zinc/30/52/73/187305273.db2.gz FULCXHXQEXTKEM-XQQFMLRXSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CS1 ZINC000336652893 187305274 /nfs/dbraw/zinc/30/52/74/187305274.db2.gz FULCXHXQEXTKEM-XQQFMLRXSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000053344153 187306472 /nfs/dbraw/zinc/30/64/72/187306472.db2.gz NSKYPLHMASZISY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000053344153 187306474 /nfs/dbraw/zinc/30/64/74/187306474.db2.gz NSKYPLHMASZISY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)nc(C)[nH+]1 ZINC000091454073 345593153 /nfs/dbraw/zinc/59/31/53/345593153.db2.gz NKEGGZSGUCZFHT-JTQLQIEISA-N 2 2 245.330 2.038 20 0 BEADLP Cc1cc[nH+]c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000091479976 345594125 /nfs/dbraw/zinc/59/41/25/345594125.db2.gz QETKCBOKQIAOKY-GFCCVEGCSA-N 2 2 242.326 2.497 20 0 BEADLP COCC[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000446784729 537900642 /nfs/dbraw/zinc/90/06/42/537900642.db2.gz IWHZAOCGIKVAIZ-LLVKDONJSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000091308025 345591076 /nfs/dbraw/zinc/59/10/76/345591076.db2.gz BHJQVRWQPUIBOR-CABCVRRESA-N 2 2 247.386 2.463 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccnc1 ZINC000091308025 345591077 /nfs/dbraw/zinc/59/10/77/345591077.db2.gz BHJQVRWQPUIBOR-CABCVRRESA-N 2 2 247.386 2.463 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)C1CC(F)(F)C1)C1CC1 ZINC000628210692 345821629 /nfs/dbraw/zinc/82/16/29/345821629.db2.gz GKLUWVUMTCQBAZ-JTQLQIEISA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CC(F)(F)C1)C1CC1 ZINC000628210692 345821631 /nfs/dbraw/zinc/82/16/31/345821631.db2.gz GKLUWVUMTCQBAZ-JTQLQIEISA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000235230384 537933523 /nfs/dbraw/zinc/93/35/23/537933523.db2.gz HVJJZBQXKZQDDK-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000235230384 537933530 /nfs/dbraw/zinc/93/35/30/537933530.db2.gz HVJJZBQXKZQDDK-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP COCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020085632 259388081 /nfs/dbraw/zinc/38/80/81/259388081.db2.gz VJQXVONHYNMCHT-GFCCVEGCSA-N 2 2 245.326 2.169 20 0 BEADLP COCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020085631 259387976 /nfs/dbraw/zinc/38/79/76/259387976.db2.gz VJQXVONHYNMCHT-LBPRGKRZSA-N 2 2 245.326 2.169 20 0 BEADLP Cc1cnc(CC[NH2+]C(C)(C)C[NH+](C)C)c(C)c1 ZINC000401094744 346175472 /nfs/dbraw/zinc/17/54/72/346175472.db2.gz YOHGMZZKQREAKP-UHFFFAOYSA-N 2 2 249.402 2.171 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000090320185 537956538 /nfs/dbraw/zinc/95/65/38/537956538.db2.gz ZUGDNDALWTXABJ-NRWUCQMLSA-N 2 2 246.354 2.054 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000090320185 537956544 /nfs/dbraw/zinc/95/65/44/537956544.db2.gz ZUGDNDALWTXABJ-NRWUCQMLSA-N 2 2 246.354 2.054 20 0 BEADLP Cc1cnc(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000397540493 346252308 /nfs/dbraw/zinc/25/23/08/346252308.db2.gz VOHWNIHHFUGTHK-UHFFFAOYSA-N 2 2 231.299 2.019 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000122157272 179032693 /nfs/dbraw/zinc/03/26/93/179032693.db2.gz CISYLWUWETZNCL-CYBMUJFWSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000122157272 179032695 /nfs/dbraw/zinc/03/26/95/179032695.db2.gz CISYLWUWETZNCL-CYBMUJFWSA-N 2 2 218.344 2.097 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccnc(C)c1 ZINC000628279677 346290836 /nfs/dbraw/zinc/29/08/36/346290836.db2.gz ULYFBMVAIRPUIC-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccnc(C)c1 ZINC000628279677 346290840 /nfs/dbraw/zinc/29/08/40/346290840.db2.gz ULYFBMVAIRPUIC-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000335135144 187320110 /nfs/dbraw/zinc/32/01/10/187320110.db2.gz ZLGTUOAZNSDGSV-TZMCWYRMSA-N 2 2 233.359 2.227 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](C)C)C1CCCCC1 ZINC000052340208 346314411 /nfs/dbraw/zinc/31/44/11/346314411.db2.gz YGNGRFFXZNSRCR-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)n1 ZINC000336720108 179067325 /nfs/dbraw/zinc/06/73/25/179067325.db2.gz WKVSIPGVMKDABO-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)n1 ZINC000336720108 179067327 /nfs/dbraw/zinc/06/73/27/179067327.db2.gz WKVSIPGVMKDABO-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)n1 ZINC000336720108 179067330 /nfs/dbraw/zinc/06/73/30/179067330.db2.gz WKVSIPGVMKDABO-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)n1 ZINC000336720108 179067333 /nfs/dbraw/zinc/06/73/33/179067333.db2.gz WKVSIPGVMKDABO-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000603413087 349961456 /nfs/dbraw/zinc/96/14/56/349961456.db2.gz VKDJXGDPVXNIFD-SNVBAGLBSA-N 2 2 229.274 2.094 20 0 BEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000603413087 349961459 /nfs/dbraw/zinc/96/14/59/349961459.db2.gz VKDJXGDPVXNIFD-SNVBAGLBSA-N 2 2 229.274 2.094 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1C ZINC000043314312 179097583 /nfs/dbraw/zinc/09/75/83/179097583.db2.gz VOFDGOMXRZYWKF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1C ZINC000043314312 179097587 /nfs/dbraw/zinc/09/75/87/179097587.db2.gz VOFDGOMXRZYWKF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1C ZINC000221156969 179093780 /nfs/dbraw/zinc/09/37/80/179093780.db2.gz KHGDGWBDOBLGFW-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1C ZINC000221156969 179093782 /nfs/dbraw/zinc/09/37/82/179093782.db2.gz KHGDGWBDOBLGFW-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000580066568 346506807 /nfs/dbraw/zinc/50/68/07/346506807.db2.gz YRBWPDJUBICLPA-NWDGAFQWSA-N 2 2 239.388 2.147 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000580066569 346506991 /nfs/dbraw/zinc/50/69/91/346506991.db2.gz YRBWPDJUBICLPA-RYUDHWBXSA-N 2 2 239.388 2.147 20 0 BEADLP COC1([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)CCC1 ZINC000580069047 346508791 /nfs/dbraw/zinc/50/87/91/346508791.db2.gz HFQCJWOILIYNQV-CYBMUJFWSA-N 2 2 248.370 2.480 20 0 BEADLP FC1(C[NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000580049179 346495516 /nfs/dbraw/zinc/49/55/16/346495516.db2.gz COJOTWBAKJWXGX-UHFFFAOYSA-N 2 2 228.355 2.391 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000641803543 362760156 /nfs/dbraw/zinc/76/01/56/362760156.db2.gz SRTQYYWRVKUSCF-VXGBXAGGSA-N 2 2 240.297 2.180 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@]1(C)CO ZINC000580060656 346501436 /nfs/dbraw/zinc/50/14/36/346501436.db2.gz VLMWDXODROLERW-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@]1(C)CO ZINC000580060656 346501440 /nfs/dbraw/zinc/50/14/40/346501440.db2.gz VLMWDXODROLERW-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccncc2)[C@H]1C ZINC000641810741 362767033 /nfs/dbraw/zinc/76/70/33/362767033.db2.gz ZAHWLUAZKLMHBU-DYEKYZERSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccncc2)[C@H]1C ZINC000641810741 362767040 /nfs/dbraw/zinc/76/70/40/362767040.db2.gz ZAHWLUAZKLMHBU-DYEKYZERSA-N 2 2 233.359 2.029 20 0 BEADLP Cc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)[nH+]1 ZINC000286465911 179123532 /nfs/dbraw/zinc/12/35/32/179123532.db2.gz VKNZSUGWXCZLEC-ZIAGYGMSSA-N 2 2 245.370 2.453 20 0 BEADLP CC1(C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000390525977 259392411 /nfs/dbraw/zinc/39/24/11/259392411.db2.gz GVEGPNHHTWEOKM-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000390525977 259392412 /nfs/dbraw/zinc/39/24/12/259392412.db2.gz GVEGPNHHTWEOKM-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000300414321 346669522 /nfs/dbraw/zinc/66/95/22/346669522.db2.gz JYJIOHQXZGCHST-FVCCEPFGSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000300414321 346669523 /nfs/dbraw/zinc/66/95/23/346669523.db2.gz JYJIOHQXZGCHST-FVCCEPFGSA-N 2 2 240.391 2.015 20 0 BEADLP Cc1cccc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)[nH+]1 ZINC000309504004 179154351 /nfs/dbraw/zinc/15/43/51/179154351.db2.gz VLRLTVMTGMEXDJ-VXGBXAGGSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cccc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)[nH+]1 ZINC000309504004 179154352 /nfs/dbraw/zinc/15/43/52/179154352.db2.gz VLRLTVMTGMEXDJ-VXGBXAGGSA-N 2 2 219.332 2.285 20 0 BEADLP CC1(C)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182803324 347107418 /nfs/dbraw/zinc/10/74/18/347107418.db2.gz OVBIBQUSWAOYBT-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC1(C)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182803324 347107422 /nfs/dbraw/zinc/10/74/22/347107422.db2.gz OVBIBQUSWAOYBT-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000582062633 347160054 /nfs/dbraw/zinc/16/00/54/347160054.db2.gz SHHKDBJHBWNCOG-BQBZGAKWSA-N 2 2 233.768 2.012 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000624148832 347278513 /nfs/dbraw/zinc/27/85/13/347278513.db2.gz OZTQQIXSXJNNJE-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000624148832 347278516 /nfs/dbraw/zinc/27/85/16/347278516.db2.gz OZTQQIXSXJNNJE-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)CCC1 ZINC000390473014 347363195 /nfs/dbraw/zinc/36/31/95/347363195.db2.gz JSZDDYRZXIAPPO-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CC[C@H](C)C2)CCC1 ZINC000390473014 347363197 /nfs/dbraw/zinc/36/31/97/347363197.db2.gz JSZDDYRZXIAPPO-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cnccn1 ZINC000247136767 347447178 /nfs/dbraw/zinc/44/71/78/347447178.db2.gz QQDSBLFLJQPERH-RWMBFGLXSA-N 2 2 248.374 2.000 20 0 BEADLP C1=CC[C@@H](C[NH2+]CC[NH+]2CCCC2)CC1 ZINC000020127026 259395822 /nfs/dbraw/zinc/39/58/22/259395822.db2.gz KOPVBNHYQXJUDM-CYBMUJFWSA-N 2 2 208.349 2.028 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006398 370658633 /nfs/dbraw/zinc/65/86/33/370658633.db2.gz ZNPJBWJHFFBWQX-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006398 370658636 /nfs/dbraw/zinc/65/86/36/370658636.db2.gz ZNPJBWJHFFBWQX-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000591082322 347616188 /nfs/dbraw/zinc/61/61/88/347616188.db2.gz OBIVATKRHZAVOO-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn([C@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000591082322 347616192 /nfs/dbraw/zinc/61/61/92/347616192.db2.gz OBIVATKRHZAVOO-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083586 347616523 /nfs/dbraw/zinc/61/65/23/347616523.db2.gz ZAVURTBSLOUPEW-LBPRGKRZSA-N 2 2 207.321 2.176 20 0 BEADLP CC(C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083586 347616526 /nfs/dbraw/zinc/61/65/26/347616526.db2.gz ZAVURTBSLOUPEW-LBPRGKRZSA-N 2 2 207.321 2.176 20 0 BEADLP Cc1ccccc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358289687 179267377 /nfs/dbraw/zinc/26/73/77/179267377.db2.gz PTJHJAGHWIOQHY-DZGCQCFKSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccccc1CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358289687 179267380 /nfs/dbraw/zinc/26/73/80/179267380.db2.gz PTJHJAGHWIOQHY-DZGCQCFKSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccccc1CC[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000076679563 179267611 /nfs/dbraw/zinc/26/76/11/179267611.db2.gz HFGDCEYSBGIDGF-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccccc1CC[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000076679563 179267613 /nfs/dbraw/zinc/26/76/13/179267613.db2.gz HFGDCEYSBGIDGF-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CC(C)=CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867926 347708041 /nfs/dbraw/zinc/70/80/41/347708041.db2.gz UFZRMOBJFHOBPU-CYBMUJFWSA-N 2 2 219.332 2.486 20 0 BEADLP CC(C)=CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867926 347708044 /nfs/dbraw/zinc/70/80/44/347708044.db2.gz UFZRMOBJFHOBPU-CYBMUJFWSA-N 2 2 219.332 2.486 20 0 BEADLP CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868785 347708463 /nfs/dbraw/zinc/70/84/63/347708463.db2.gz DYWRSBPFJMGROB-GFCCVEGCSA-N 2 2 207.321 2.320 20 0 BEADLP CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868785 347708464 /nfs/dbraw/zinc/70/84/64/347708464.db2.gz DYWRSBPFJMGROB-GFCCVEGCSA-N 2 2 207.321 2.320 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044683883 179284425 /nfs/dbraw/zinc/28/44/25/179284425.db2.gz FSIJRQINEOEAHM-AWEZNQCLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044683883 179284427 /nfs/dbraw/zinc/28/44/27/179284427.db2.gz FSIJRQINEOEAHM-AWEZNQCLSA-N 2 2 230.355 2.321 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000054241419 1172096460 /nfs/dbraw/zinc/09/64/60/1172096460.db2.gz YSAUIXNSOODLHC-CHWSQXEVSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000054241419 1172096468 /nfs/dbraw/zinc/09/64/68/1172096468.db2.gz YSAUIXNSOODLHC-CHWSQXEVSA-N 2 2 236.359 2.285 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235189857 179321257 /nfs/dbraw/zinc/32/12/57/179321257.db2.gz GPOMRGYMJMZDEP-OLZOCXBDSA-N 2 2 218.344 2.398 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000054475669 348029382 /nfs/dbraw/zinc/02/93/82/348029382.db2.gz OPGNCMISEPXAGD-WCQYABFASA-N 2 2 206.333 2.322 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1CC1(C)C ZINC000234283984 490132685 /nfs/dbraw/zinc/13/26/85/490132685.db2.gz PDPCQTFIAURDRM-LLVKDONJSA-N 2 2 212.381 2.352 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1CC1(C)C ZINC000234283984 490132692 /nfs/dbraw/zinc/13/26/92/490132692.db2.gz PDPCQTFIAURDRM-LLVKDONJSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cccn2c(C[NH2+]CCCCF)c[nH+]c12 ZINC000361090435 179354679 /nfs/dbraw/zinc/35/46/79/179354679.db2.gz XUHGQCPZPIRVHD-UHFFFAOYSA-N 2 2 235.306 2.482 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC1([NH+](C)C)CCC1 ZINC000595039906 348177026 /nfs/dbraw/zinc/17/70/26/348177026.db2.gz HNNKGAVDWNZTAN-NSHDSACASA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)CSCCF)C1CC1 ZINC000595035349 348175578 /nfs/dbraw/zinc/17/55/78/348175578.db2.gz HUUMIJXVMATBLR-NSHDSACASA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)CSCCF)C1CC1 ZINC000595035349 348175582 /nfs/dbraw/zinc/17/55/82/348175582.db2.gz HUUMIJXVMATBLR-NSHDSACASA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)CSCCF)C1CC1 ZINC000595035348 348175908 /nfs/dbraw/zinc/17/59/08/348175908.db2.gz HUUMIJXVMATBLR-LLVKDONJSA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)CSCCF)C1CC1 ZINC000595035348 348175910 /nfs/dbraw/zinc/17/59/10/348175910.db2.gz HUUMIJXVMATBLR-LLVKDONJSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000595014180 348185866 /nfs/dbraw/zinc/18/58/66/348185866.db2.gz UHMUBCUNPHBPHQ-NWDGAFQWSA-N 2 2 248.411 2.009 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000595014180 348185869 /nfs/dbraw/zinc/18/58/69/348185869.db2.gz UHMUBCUNPHBPHQ-NWDGAFQWSA-N 2 2 248.411 2.009 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000595014179 348185910 /nfs/dbraw/zinc/18/59/10/348185910.db2.gz UHMUBCUNPHBPHQ-NEPJUHHUSA-N 2 2 248.411 2.009 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000595014179 348185913 /nfs/dbraw/zinc/18/59/13/348185913.db2.gz UHMUBCUNPHBPHQ-NEPJUHHUSA-N 2 2 248.411 2.009 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CSCCF)C1 ZINC000595097562 348194363 /nfs/dbraw/zinc/19/43/63/348194363.db2.gz XPFZNLMEPJABKT-VXGBXAGGSA-N 2 2 248.411 2.152 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CSCCF)C1 ZINC000595097562 348194364 /nfs/dbraw/zinc/19/43/64/348194364.db2.gz XPFZNLMEPJABKT-VXGBXAGGSA-N 2 2 248.411 2.152 20 0 BEADLP Cc1cccnc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181103813 179371267 /nfs/dbraw/zinc/37/12/67/179371267.db2.gz UEJCHTVLWOQUSK-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cccnc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181103813 179371270 /nfs/dbraw/zinc/37/12/70/179371270.db2.gz UEJCHTVLWOQUSK-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000037248723 348290772 /nfs/dbraw/zinc/29/07/72/348290772.db2.gz KYKJRGYNMOWITL-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419382982 192133823 /nfs/dbraw/zinc/13/38/23/192133823.db2.gz ZPWFOLCXXOJTFB-QJPTWQEYSA-N 2 2 221.348 2.168 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419382982 192133824 /nfs/dbraw/zinc/13/38/24/192133824.db2.gz ZPWFOLCXXOJTFB-QJPTWQEYSA-N 2 2 221.348 2.168 20 0 BEADLP CSC[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000597021819 348650989 /nfs/dbraw/zinc/65/09/89/348650989.db2.gz SKIDNAMYHMHGGL-NSHDSACASA-N 2 2 239.388 2.056 20 0 BEADLP CSC[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000597021819 348650991 /nfs/dbraw/zinc/65/09/91/348650991.db2.gz SKIDNAMYHMHGGL-NSHDSACASA-N 2 2 239.388 2.056 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597180949 348681225 /nfs/dbraw/zinc/68/12/25/348681225.db2.gz XPAMMDCGXFPOHB-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597180949 348681230 /nfs/dbraw/zinc/68/12/30/348681230.db2.gz XPAMMDCGXFPOHB-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP CCSCC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597180969 348681388 /nfs/dbraw/zinc/68/13/88/348681388.db2.gz YDNGYEPCLSSQMT-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597180969 348681392 /nfs/dbraw/zinc/68/13/92/348681392.db2.gz YDNGYEPCLSSQMT-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]([N@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000536573174 323197934 /nfs/dbraw/zinc/19/79/34/323197934.db2.gz APKTVVLZBTVKEQ-NSHDSACASA-N 2 2 209.337 2.250 20 0 BEADLP C[C@H]([N@@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000536573174 323197935 /nfs/dbraw/zinc/19/79/35/323197935.db2.gz APKTVVLZBTVKEQ-NSHDSACASA-N 2 2 209.337 2.250 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)[C@H](C)C1 ZINC000082857572 348851143 /nfs/dbraw/zinc/85/11/43/348851143.db2.gz SRLIAXABVISXIZ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CCC(CC)[N@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000093309102 490206679 /nfs/dbraw/zinc/20/66/79/490206679.db2.gz LXJPFPZKXXUGJP-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP CCC(CC)[N@@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000093309102 490206692 /nfs/dbraw/zinc/20/66/92/490206692.db2.gz LXJPFPZKXXUGJP-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP C[N@@H+](Cc1cccc2c1CCC2)CC1C[NH+](C)C1 ZINC000668539168 538018504 /nfs/dbraw/zinc/01/85/04/538018504.db2.gz NVYQIIQMUKHVJC-UHFFFAOYSA-N 2 2 244.382 2.169 20 0 BEADLP C[N@H+](Cc1cccc2c1CCC2)CC1C[NH+](C)C1 ZINC000668539168 538018510 /nfs/dbraw/zinc/01/85/10/538018510.db2.gz NVYQIIQMUKHVJC-UHFFFAOYSA-N 2 2 244.382 2.169 20 0 BEADLP C(C1CC1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250809685 349179483 /nfs/dbraw/zinc/17/94/83/349179483.db2.gz DBZBKECQPJYAAA-CHWSQXEVSA-N 2 2 208.349 2.003 20 0 BEADLP C(C1CC1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250809685 349179487 /nfs/dbraw/zinc/17/94/87/349179487.db2.gz DBZBKECQPJYAAA-CHWSQXEVSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000160855569 349330836 /nfs/dbraw/zinc/33/08/36/349330836.db2.gz XASJXOJFDAQIHI-AGIUHOORSA-N 2 2 220.360 2.310 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000160855569 349330839 /nfs/dbraw/zinc/33/08/39/349330839.db2.gz XASJXOJFDAQIHI-AGIUHOORSA-N 2 2 220.360 2.310 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)CS1 ZINC000309401537 191002243 /nfs/dbraw/zinc/00/22/43/191002243.db2.gz WIFIMEIVRBAHDV-OLZOCXBDSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CS1 ZINC000309401537 191002244 /nfs/dbraw/zinc/00/22/44/191002244.db2.gz WIFIMEIVRBAHDV-OLZOCXBDSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000131986949 191019880 /nfs/dbraw/zinc/01/98/80/191019880.db2.gz BAFIKFJVWDEZKU-NEPJUHHUSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000131986949 191019882 /nfs/dbraw/zinc/01/98/82/191019882.db2.gz BAFIKFJVWDEZKU-NEPJUHHUSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000049553985 180051442 /nfs/dbraw/zinc/05/14/42/180051442.db2.gz YZIJKFKBCCJHGM-ZJUUUORDSA-N 2 2 241.404 2.442 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132195971 191028123 /nfs/dbraw/zinc/02/81/23/191028123.db2.gz KXHWHGHGDWIPCA-SRVKXCTJSA-N 2 2 210.365 2.246 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132195971 191028126 /nfs/dbraw/zinc/02/81/26/191028126.db2.gz KXHWHGHGDWIPCA-SRVKXCTJSA-N 2 2 210.365 2.246 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)C(C)(C)C ZINC000133295761 191039669 /nfs/dbraw/zinc/03/96/69/191039669.db2.gz JXOMWDDEJOFNLQ-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP Cc1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000227036626 180141986 /nfs/dbraw/zinc/14/19/86/180141986.db2.gz LNWPUJVNDLVFJM-JOYOIKCWSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])s1 ZINC000227036626 180141987 /nfs/dbraw/zinc/14/19/87/180141987.db2.gz LNWPUJVNDLVFJM-JOYOIKCWSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1nc(NCCC[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000266160748 180197421 /nfs/dbraw/zinc/19/74/21/180197421.db2.gz NMJRYYLNFBPZQU-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1nc(N[C@H](C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000054936239 180204630 /nfs/dbraw/zinc/20/46/30/180204630.db2.gz DBJVFRURMOAKGJ-LLVKDONJSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266458154 180204895 /nfs/dbraw/zinc/20/48/95/180204895.db2.gz YHZKZFQVXFELLR-VXGBXAGGSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266458154 180204896 /nfs/dbraw/zinc/20/48/96/180204896.db2.gz YHZKZFQVXFELLR-VXGBXAGGSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000336585810 180254502 /nfs/dbraw/zinc/25/45/02/180254502.db2.gz KJXCFKBRMAIBAM-PHIMTYICSA-N 2 2 207.321 2.064 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000336585810 180254504 /nfs/dbraw/zinc/25/45/04/180254504.db2.gz KJXCFKBRMAIBAM-PHIMTYICSA-N 2 2 207.321 2.064 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081884 180256070 /nfs/dbraw/zinc/25/60/70/180256070.db2.gz QAKZNOOCPWHUBQ-CHWSQXEVSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368081884 180256072 /nfs/dbraw/zinc/25/60/72/180256072.db2.gz QAKZNOOCPWHUBQ-CHWSQXEVSA-N 2 2 219.332 2.066 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1coc2ccccc12 ZINC000231818622 490412683 /nfs/dbraw/zinc/41/26/83/490412683.db2.gz FGOJAZMOSQBKJX-UHFFFAOYSA-N 2 2 218.300 2.213 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1coc2ccccc12 ZINC000231818622 490412685 /nfs/dbraw/zinc/41/26/85/490412685.db2.gz FGOJAZMOSQBKJX-UHFFFAOYSA-N 2 2 218.300 2.213 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325097422 323310277 /nfs/dbraw/zinc/31/02/77/323310277.db2.gz PXDMDEWOHKOKAS-UONOGXRCSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325097422 323310279 /nfs/dbraw/zinc/31/02/79/323310279.db2.gz PXDMDEWOHKOKAS-UONOGXRCSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]ccn1CCCN(C)c1cccc[nH+]1 ZINC000120194410 180241231 /nfs/dbraw/zinc/24/12/31/180241231.db2.gz VHLUEEKABVMRAW-UHFFFAOYSA-N 2 2 230.315 2.113 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000309305250 350276164 /nfs/dbraw/zinc/27/61/64/350276164.db2.gz AOSMPMIZSMVNLC-HSBZDZAISA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000309305250 350276168 /nfs/dbraw/zinc/27/61/68/350276168.db2.gz AOSMPMIZSMVNLC-HSBZDZAISA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427864730 191097384 /nfs/dbraw/zinc/09/73/84/191097384.db2.gz LYKFBKKDTYGXCP-YPMHNXCESA-N 2 2 233.359 2.366 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)CC2 ZINC000427881987 191099025 /nfs/dbraw/zinc/09/90/25/191099025.db2.gz LAXSZAVIKJYQDP-MCIONIFRSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCSC1 ZINC000162803464 350433426 /nfs/dbraw/zinc/43/34/26/350433426.db2.gz PYFQQIYNMOLMME-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000336710644 350462302 /nfs/dbraw/zinc/46/23/02/350462302.db2.gz ZXHMOUCBGWCVPK-CYBMUJFWSA-N 2 2 221.348 2.314 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000336710644 350462305 /nfs/dbraw/zinc/46/23/05/350462305.db2.gz ZXHMOUCBGWCVPK-CYBMUJFWSA-N 2 2 221.348 2.314 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000309360446 323344991 /nfs/dbraw/zinc/34/49/91/323344991.db2.gz AKTPZPUUMHDKLY-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000309360446 323344993 /nfs/dbraw/zinc/34/49/93/323344993.db2.gz AKTPZPUUMHDKLY-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@H+](CC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000163287644 350514904 /nfs/dbraw/zinc/51/49/04/350514904.db2.gz OGSLGLURDJMZCT-AAEUAGOBSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000163287644 350514906 /nfs/dbraw/zinc/51/49/06/350514906.db2.gz OGSLGLURDJMZCT-AAEUAGOBSA-N 2 2 219.332 2.176 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2=CCCOC2)c[nH+]1 ZINC000577479770 365964305 /nfs/dbraw/zinc/96/43/05/365964305.db2.gz MBWDIHHIFPCAOH-UHFFFAOYSA-N 2 2 246.354 2.259 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000156702773 191116230 /nfs/dbraw/zinc/11/62/30/191116230.db2.gz DDIDMQIMQRGEHS-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000156702773 191116232 /nfs/dbraw/zinc/11/62/32/191116232.db2.gz DDIDMQIMQRGEHS-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000177156761 365983627 /nfs/dbraw/zinc/98/36/27/365983627.db2.gz CYEFVTPLZATWEA-YPMHNXCESA-N 2 2 219.332 2.185 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000177156761 365983630 /nfs/dbraw/zinc/98/36/30/365983630.db2.gz CYEFVTPLZATWEA-YPMHNXCESA-N 2 2 219.332 2.185 20 0 BEADLP CCCC[C@H](CC)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000339406372 350754868 /nfs/dbraw/zinc/75/48/68/350754868.db2.gz FYSZQXCAMXIRBD-UONOGXRCSA-N 2 2 242.407 2.252 20 0 BEADLP CCCC[C@H](CC)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000339406372 350754872 /nfs/dbraw/zinc/75/48/72/350754872.db2.gz FYSZQXCAMXIRBD-UONOGXRCSA-N 2 2 242.407 2.252 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000238854770 350775670 /nfs/dbraw/zinc/77/56/70/350775670.db2.gz PHDNCYGJXMRPRN-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000238854770 350775673 /nfs/dbraw/zinc/77/56/73/350775673.db2.gz PHDNCYGJXMRPRN-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616616676 350856848 /nfs/dbraw/zinc/85/68/48/350856848.db2.gz SMFPCEFEBZGKGG-ZDUSSCGKSA-N 2 2 234.343 2.181 20 0 BEADLP COc1ccccc1[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000616616676 350856851 /nfs/dbraw/zinc/85/68/51/350856851.db2.gz SMFPCEFEBZGKGG-ZDUSSCGKSA-N 2 2 234.343 2.181 20 0 BEADLP c1coc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000177590435 366011482 /nfs/dbraw/zinc/01/14/82/366011482.db2.gz NKASWBQDBOKJHS-UHFFFAOYSA-N 2 2 231.299 2.266 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250234823 350878366 /nfs/dbraw/zinc/87/83/66/350878366.db2.gz GPUBIGUXCZIKMP-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250234823 350878367 /nfs/dbraw/zinc/87/83/67/350878367.db2.gz GPUBIGUXCZIKMP-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C/C=C/C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000623739220 350884323 /nfs/dbraw/zinc/88/43/23/350884323.db2.gz MVRLHLKNDGCXJO-ONEGZZNKSA-N 2 2 215.300 2.308 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309678850 191128186 /nfs/dbraw/zinc/12/81/86/191128186.db2.gz YXLNXNOXBDVVFF-VXGBXAGGSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309678850 191128187 /nfs/dbraw/zinc/12/81/87/191128187.db2.gz YXLNXNOXBDVVFF-VXGBXAGGSA-N 2 2 244.448 2.448 20 0 BEADLP C/C=C\C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000623739800 351049184 /nfs/dbraw/zinc/04/91/84/351049184.db2.gz HBZHYJHBTVMBAH-IHWYPQMZSA-N 2 2 245.370 2.212 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CC[C@@H]3C[C@@H]3C1)CCC2 ZINC000623589404 363023177 /nfs/dbraw/zinc/02/31/77/363023177.db2.gz JFZAURWFFLZDFC-UPJWGTAASA-N 2 2 245.370 2.355 20 0 BEADLP CC(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267389348 351308678 /nfs/dbraw/zinc/30/86/78/351308678.db2.gz OFARYPXZVMFRFT-UHFFFAOYSA-N 2 2 244.342 2.355 20 0 BEADLP CC(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267389348 351308681 /nfs/dbraw/zinc/30/86/81/351308681.db2.gz OFARYPXZVMFRFT-UHFFFAOYSA-N 2 2 244.342 2.355 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987299 351404213 /nfs/dbraw/zinc/40/42/13/351404213.db2.gz YOHBDVNKHVUXCV-GXTWGEPZSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987299 351404216 /nfs/dbraw/zinc/40/42/16/351404216.db2.gz YOHBDVNKHVUXCV-GXTWGEPZSA-N 2 2 218.344 2.259 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000577769433 366059479 /nfs/dbraw/zinc/05/94/79/366059479.db2.gz KZPTUKUTUGWBAY-NSHDSACASA-N 2 2 208.349 2.003 20 0 BEADLP Cc1ccncc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575069217 351785283 /nfs/dbraw/zinc/78/52/83/351785283.db2.gz QYHRNMJPFREZEN-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccncc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000575069217 351785286 /nfs/dbraw/zinc/78/52/86/351785286.db2.gz QYHRNMJPFREZEN-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccncc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575069217 351785288 /nfs/dbraw/zinc/78/52/88/351785288.db2.gz QYHRNMJPFREZEN-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccncc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575069217 351785292 /nfs/dbraw/zinc/78/52/92/351785292.db2.gz QYHRNMJPFREZEN-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CCC[C@@H]3CCO3)C2)c[nH+]1 ZINC000638017465 351896470 /nfs/dbraw/zinc/89/64/70/351896470.db2.gz HJCRAVWHVJMTDP-ZIAGYGMSSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CCC[C@@H]3CCO3)C2)c[nH+]1 ZINC000638017465 351896471 /nfs/dbraw/zinc/89/64/71/351896471.db2.gz HJCRAVWHVJMTDP-ZIAGYGMSSA-N 2 2 249.358 2.089 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252740819 538101701 /nfs/dbraw/zinc/10/17/01/538101701.db2.gz JYDIAJYNMCOFTI-NEPJUHHUSA-N 2 2 247.342 2.129 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252740819 538101703 /nfs/dbraw/zinc/10/17/03/538101703.db2.gz JYDIAJYNMCOFTI-NEPJUHHUSA-N 2 2 247.342 2.129 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C ZINC000252748411 538101917 /nfs/dbraw/zinc/10/19/17/538101917.db2.gz SSUCTAXJLDISFV-CMPLNLGQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C ZINC000252748411 538101920 /nfs/dbraw/zinc/10/19/20/538101920.db2.gz SSUCTAXJLDISFV-CMPLNLGQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H](C)C1 ZINC000286379918 352087392 /nfs/dbraw/zinc/08/73/92/352087392.db2.gz OIHOSFAKCWWKRQ-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP CC[N@H+]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H](C)C1 ZINC000286379918 352087394 /nfs/dbraw/zinc/08/73/94/352087394.db2.gz OIHOSFAKCWWKRQ-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP CC[C@@H](C[NH2+]C[C@](C)(CC)OC)[NH+]1CCCC1 ZINC000638353523 352167640 /nfs/dbraw/zinc/16/76/40/352167640.db2.gz APBFZMRNCQUGEX-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC1(F)F ZINC000638363133 352173088 /nfs/dbraw/zinc/17/30/88/352173088.db2.gz JCLSTRRGXNVPAN-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(F)F ZINC000638363133 352173090 /nfs/dbraw/zinc/17/30/90/352173090.db2.gz JCLSTRRGXNVPAN-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000638363514 352173755 /nfs/dbraw/zinc/17/37/55/352173755.db2.gz NPJLHXLGBMFRSX-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000638363514 352173757 /nfs/dbraw/zinc/17/37/57/352173757.db2.gz NPJLHXLGBMFRSX-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)OC ZINC000638363928 352177077 /nfs/dbraw/zinc/17/70/77/352177077.db2.gz SXNYZOAUBLMHBF-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@H+]1CCC[C@H](C)C1)OC ZINC000638363928 352177078 /nfs/dbraw/zinc/17/70/78/352177078.db2.gz SXNYZOAUBLMHBF-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289303898 352179443 /nfs/dbraw/zinc/17/94/43/352179443.db2.gz AIJLVZPJULDQEX-UHFFFAOYSA-N 2 2 220.316 2.253 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000638408239 352214107 /nfs/dbraw/zinc/21/41/07/352214107.db2.gz FSQYRIQDVHPJGW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000638408239 352214109 /nfs/dbraw/zinc/21/41/09/352214109.db2.gz FSQYRIQDVHPJGW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP Fc1cccc(F)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414917962 352272780 /nfs/dbraw/zinc/27/27/80/352272780.db2.gz SRMMOUWPBJTCEF-SNVBAGLBSA-N 2 2 240.297 2.197 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000638443448 352253227 /nfs/dbraw/zinc/25/32/27/352253227.db2.gz NSAJIHAKKABGGD-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000638443448 352253229 /nfs/dbraw/zinc/25/32/29/352253229.db2.gz NSAJIHAKKABGGD-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H]1CC1(F)F)C1CC1 ZINC000638478711 352289975 /nfs/dbraw/zinc/28/99/75/352289975.db2.gz LAJQNYABXVIATN-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H]1CC1(F)F)C1CC1 ZINC000638478711 352289979 /nfs/dbraw/zinc/28/99/79/352289979.db2.gz LAJQNYABXVIATN-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000044534063 352352708 /nfs/dbraw/zinc/35/27/08/352352708.db2.gz SZVMPDIGTNCCKF-JTQLQIEISA-N 2 2 242.750 2.364 20 0 BEADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000044534063 352352712 /nfs/dbraw/zinc/35/27/12/352352712.db2.gz SZVMPDIGTNCCKF-JTQLQIEISA-N 2 2 242.750 2.364 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000044534061 352352951 /nfs/dbraw/zinc/35/29/51/352352951.db2.gz SZVMPDIGTNCCKF-SNVBAGLBSA-N 2 2 242.750 2.364 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000044534061 352352954 /nfs/dbraw/zinc/35/29/54/352352954.db2.gz SZVMPDIGTNCCKF-SNVBAGLBSA-N 2 2 242.750 2.364 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340468168 352379609 /nfs/dbraw/zinc/37/96/09/352379609.db2.gz JUAULUHAKKTVKD-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340468168 352379613 /nfs/dbraw/zinc/37/96/13/352379613.db2.gz JUAULUHAKKTVKD-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CC)OC ZINC000638602608 352438635 /nfs/dbraw/zinc/43/86/35/352438635.db2.gz DQSBTBZKYNDFSY-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1CC)OC ZINC000638602608 352438638 /nfs/dbraw/zinc/43/86/38/352438638.db2.gz DQSBTBZKYNDFSY-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638604931 352439395 /nfs/dbraw/zinc/43/93/95/352439395.db2.gz IERIETVTSSXUAQ-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000638604931 352439400 /nfs/dbraw/zinc/43/94/00/352439400.db2.gz IERIETVTSSXUAQ-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)o2)[C@@H](C)C1 ZINC000607957033 352468264 /nfs/dbraw/zinc/46/82/64/352468264.db2.gz RLGDZZRZJQZXHM-SMDDNHRTSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)o2)[C@@H](C)C1 ZINC000607957033 352468266 /nfs/dbraw/zinc/46/82/66/352468266.db2.gz RLGDZZRZJQZXHM-SMDDNHRTSA-N 2 2 236.359 2.408 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000043326294 352636556 /nfs/dbraw/zinc/63/65/56/352636556.db2.gz JOBVIBDQYCYWKH-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043324476 352636751 /nfs/dbraw/zinc/63/67/51/352636751.db2.gz OEZDULNIQNOYTN-ZWNOBZJWSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000043326491 352637482 /nfs/dbraw/zinc/63/74/82/352637482.db2.gz YLZSLHZYOODJCO-ZFWWWQNUSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000043327453 352637504 /nfs/dbraw/zinc/63/75/04/352637504.db2.gz PYFFRDDBLUWJPQ-ONGXEEELSA-N 2 2 239.388 2.163 20 0 BEADLP COC1([C@@H](C)[NH2+]CC[NH+]2CCCCC2)CCC1 ZINC000412020928 191238527 /nfs/dbraw/zinc/23/85/27/191238527.db2.gz KXALFSZZLXPXQV-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CSC1(C[NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000304322155 352729803 /nfs/dbraw/zinc/72/98/03/352729803.db2.gz SFSCKUSLIUJYMM-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000334191614 352782805 /nfs/dbraw/zinc/78/28/05/352782805.db2.gz HSEBXALVNUWLPU-CMPLNLGQSA-N 2 2 247.367 2.175 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000334191620 352782976 /nfs/dbraw/zinc/78/29/76/352782976.db2.gz HSEBXALVNUWLPU-PWSUYJOCSA-N 2 2 247.367 2.175 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334267987 352903811 /nfs/dbraw/zinc/90/38/11/352903811.db2.gz OFEGHOZTAWSKLH-TVQRCGJNSA-N 2 2 240.297 2.005 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)o1 ZINC000037502790 358473864 /nfs/dbraw/zinc/47/38/64/358473864.db2.gz BOVPDLLCIJHBMP-VIFPVBQESA-N 2 2 239.706 2.308 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H](C)C1CC1)[NH+](C)C ZINC000020201415 188005927 /nfs/dbraw/zinc/00/59/27/188005927.db2.gz AHTOXQISCUCXPA-WCQYABFASA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)O)c[nH+]1 ZINC000354639749 188007977 /nfs/dbraw/zinc/00/79/77/188007977.db2.gz WNURHODOBUSSPD-QWHCGFSZSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1[nH+]ccc(N(C)Cc2[nH]cc[nH+]2)c1Cl ZINC000336342138 188018882 /nfs/dbraw/zinc/01/88/82/188018882.db2.gz CSVHTELLDHVSJS-UHFFFAOYSA-N 2 2 236.706 2.403 20 0 BEADLP CCCCOCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000341142379 188043793 /nfs/dbraw/zinc/04/37/93/188043793.db2.gz YAPYPIXWTBQYMS-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP CCCCOCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341142379 188043795 /nfs/dbraw/zinc/04/37/95/188043795.db2.gz YAPYPIXWTBQYMS-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP c1cn(C2CC[NH+](C[C@H]3CCC=CO3)CC2)c[nH+]1 ZINC000191070228 188003751 /nfs/dbraw/zinc/00/37/51/188003751.db2.gz CQJNBBOXBNNWMF-CQSZACIVSA-N 2 2 247.342 2.213 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054110857 188047188 /nfs/dbraw/zinc/04/71/88/188047188.db2.gz WHXVJKHYYUQOBQ-GFCCVEGCSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054110857 188047189 /nfs/dbraw/zinc/04/71/89/188047189.db2.gz WHXVJKHYYUQOBQ-GFCCVEGCSA-N 2 2 200.370 2.351 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC2CC(O)C2)c[nH+]1 ZINC000355129995 188236735 /nfs/dbraw/zinc/23/67/35/188236735.db2.gz JRSLXPLDYXJKIW-UHFFFAOYSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@H]2CCOC2)c[nH+]1 ZINC000354652428 188236862 /nfs/dbraw/zinc/23/68/62/188236862.db2.gz QWJFEAKZBZRVMW-HNNXBMFYSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251780950 353287842 /nfs/dbraw/zinc/28/78/42/353287842.db2.gz MXMCLHOLXLORKD-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251780950 353287844 /nfs/dbraw/zinc/28/78/44/353287844.db2.gz MXMCLHOLXLORKD-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251769650 353288213 /nfs/dbraw/zinc/28/82/13/353288213.db2.gz MHQIEYUKEUYJGC-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@H]1[NH3+] ZINC000251769650 353288216 /nfs/dbraw/zinc/28/82/16/353288216.db2.gz MHQIEYUKEUYJGC-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252172840 353296993 /nfs/dbraw/zinc/29/69/93/353296993.db2.gz OICBJEAPPOWDLN-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252172840 353296997 /nfs/dbraw/zinc/29/69/97/353296997.db2.gz OICBJEAPPOWDLN-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336770485 353302929 /nfs/dbraw/zinc/30/29/29/353302929.db2.gz SYJGLAPWVURCDG-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336770485 353302931 /nfs/dbraw/zinc/30/29/31/353302931.db2.gz SYJGLAPWVURCDG-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336682872 188341711 /nfs/dbraw/zinc/34/17/11/188341711.db2.gz SCRKBPJULJUBNY-WDEREUQCSA-N 2 2 221.348 2.291 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336682872 188341713 /nfs/dbraw/zinc/34/17/13/188341713.db2.gz SCRKBPJULJUBNY-WDEREUQCSA-N 2 2 221.348 2.291 20 0 BEADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccn2)CC1 ZINC000264242085 188370902 /nfs/dbraw/zinc/37/09/02/188370902.db2.gz BPHNBHPFRUEBQO-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccn2)CC1 ZINC000264242085 188370903 /nfs/dbraw/zinc/37/09/03/188370903.db2.gz BPHNBHPFRUEBQO-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343306100 353524811 /nfs/dbraw/zinc/52/48/11/353524811.db2.gz UPDMOSXZSHPAFQ-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343306100 353524813 /nfs/dbraw/zinc/52/48/13/353524813.db2.gz UPDMOSXZSHPAFQ-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)Cn1cc[nH+]c1 ZINC000165735593 353592318 /nfs/dbraw/zinc/59/23/18/353592318.db2.gz HTUYIGLQPQNNLR-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H]1CCC[C@H](C)[NH+]1CCc1c[nH+]cn1C ZINC000334515189 353602330 /nfs/dbraw/zinc/60/23/30/353602330.db2.gz JBQAZQUIIITMEJ-RYUDHWBXSA-N 2 2 221.348 2.226 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000220305412 353832897 /nfs/dbraw/zinc/83/28/97/353832897.db2.gz BJKCFSCYQJIZAP-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000220305412 353832899 /nfs/dbraw/zinc/83/28/99/353832899.db2.gz BJKCFSCYQJIZAP-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP C[C@@H]1C[C@H](C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000334520522 353884429 /nfs/dbraw/zinc/88/44/29/353884429.db2.gz ZTUFVGXSTJGURJ-CHWSQXEVSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1C[C@H](C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000334520522 353884431 /nfs/dbraw/zinc/88/44/31/353884431.db2.gz ZTUFVGXSTJGURJ-CHWSQXEVSA-N 2 2 235.375 2.331 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)ccc1F ZINC000334539992 353928319 /nfs/dbraw/zinc/92/83/19/353928319.db2.gz RIAMZFRJSXKLFW-RISCZKNCSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)ccc1F ZINC000334539992 353928321 /nfs/dbraw/zinc/92/83/21/353928321.db2.gz RIAMZFRJSXKLFW-RISCZKNCSA-N 2 2 236.334 2.174 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334556071 354001744 /nfs/dbraw/zinc/00/17/44/354001744.db2.gz SFRJIUMSZVWNNS-NSHDSACASA-N 2 2 220.360 2.145 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334556071 354001745 /nfs/dbraw/zinc/00/17/45/354001745.db2.gz SFRJIUMSZVWNNS-NSHDSACASA-N 2 2 220.360 2.145 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542651 324332545 /nfs/dbraw/zinc/33/25/45/324332545.db2.gz RAVAWSKZNQIKEI-QWRGUYRKSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC(F)(F)C1 ZINC000529542651 324332549 /nfs/dbraw/zinc/33/25/49/324332549.db2.gz RAVAWSKZNQIKEI-QWRGUYRKSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC(F)(F)C1 ZINC000529552593 324339160 /nfs/dbraw/zinc/33/91/60/324339160.db2.gz RLFMDRSQHYDHJT-SNVBAGLBSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742653 202018069 /nfs/dbraw/zinc/01/80/69/202018069.db2.gz PXZVHPMBQNLOLC-LVGORTOPSA-N 2 2 234.387 2.105 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742653 202018070 /nfs/dbraw/zinc/01/80/70/202018070.db2.gz PXZVHPMBQNLOLC-LVGORTOPSA-N 2 2 234.387 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000382312890 491060873 /nfs/dbraw/zinc/06/08/73/491060873.db2.gz QPLJCKYFRFADIM-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000382312890 491060875 /nfs/dbraw/zinc/06/08/75/491060875.db2.gz QPLJCKYFRFADIM-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP Cn1cc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C(C)(C)C)cn1 ZINC000344802781 354378103 /nfs/dbraw/zinc/37/81/03/354378103.db2.gz DZTWEJXMQGEUGF-GFCCVEGCSA-N 2 2 247.346 2.020 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000623634622 366202070 /nfs/dbraw/zinc/20/20/70/366202070.db2.gz MZSQXECDNBZURN-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000623634622 366202075 /nfs/dbraw/zinc/20/20/75/366202075.db2.gz MZSQXECDNBZURN-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334644240 354402003 /nfs/dbraw/zinc/40/20/03/354402003.db2.gz HDUQRZANGMDQPN-LBPRGKRZSA-N 2 2 245.301 2.196 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334644240 354402005 /nfs/dbraw/zinc/40/20/05/354402005.db2.gz HDUQRZANGMDQPN-LBPRGKRZSA-N 2 2 245.301 2.196 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C[C@H]1CC=CCC1)C2 ZINC000334644628 354402814 /nfs/dbraw/zinc/40/28/14/354402814.db2.gz LRVISSFOHKZHRG-RYUDHWBXSA-N 2 2 231.343 2.213 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000334644628 354402815 /nfs/dbraw/zinc/40/28/15/354402815.db2.gz LRVISSFOHKZHRG-RYUDHWBXSA-N 2 2 231.343 2.213 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C[C@H]1CC=CCC1)C2 ZINC000334644624 354403162 /nfs/dbraw/zinc/40/31/62/354403162.db2.gz LRVISSFOHKZHRG-NWDGAFQWSA-N 2 2 231.343 2.213 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000334644624 354403164 /nfs/dbraw/zinc/40/31/64/354403164.db2.gz LRVISSFOHKZHRG-NWDGAFQWSA-N 2 2 231.343 2.213 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)C2 ZINC000334644631 354403213 /nfs/dbraw/zinc/40/32/13/354403213.db2.gz LRVISSFOHKZHRG-VXGBXAGGSA-N 2 2 231.343 2.213 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000334644631 354403216 /nfs/dbraw/zinc/40/32/16/354403216.db2.gz LRVISSFOHKZHRG-VXGBXAGGSA-N 2 2 231.343 2.213 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644562 354403287 /nfs/dbraw/zinc/40/32/87/354403287.db2.gz NJZJMSMCIJIOSW-BXUZGUMPSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644562 354403288 /nfs/dbraw/zinc/40/32/88/354403288.db2.gz NJZJMSMCIJIOSW-BXUZGUMPSA-N 2 2 234.387 2.391 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC(C)(C)C1 ZINC000334684499 354430404 /nfs/dbraw/zinc/43/04/04/354430404.db2.gz XGTMLZZOZWQIQI-UHFFFAOYSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC(C)(C)C1 ZINC000334684499 354430407 /nfs/dbraw/zinc/43/04/07/354430407.db2.gz XGTMLZZOZWQIQI-UHFFFAOYSA-N 2 2 221.348 2.314 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000345045339 354458417 /nfs/dbraw/zinc/45/84/17/354458417.db2.gz ZDJLZUKATUOQBW-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000345045339 354458418 /nfs/dbraw/zinc/45/84/18/354458418.db2.gz ZDJLZUKATUOQBW-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@H]1CCC(C)(C)[N@@H+]1CCn1cc[nH+]c1 ZINC000334691899 354481476 /nfs/dbraw/zinc/48/14/76/354481476.db2.gz HVDSFRZDBNYJCP-NSHDSACASA-N 2 2 207.321 2.146 20 0 BEADLP C[C@H]1CCC(C)(C)[N@H+]1CCn1cc[nH+]c1 ZINC000334691899 354481477 /nfs/dbraw/zinc/48/14/77/354481477.db2.gz HVDSFRZDBNYJCP-NSHDSACASA-N 2 2 207.321 2.146 20 0 BEADLP c1[nH]cc(C2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000334721732 354521845 /nfs/dbraw/zinc/52/18/45/354521845.db2.gz TYNBSQSJEUDBRG-UHFFFAOYSA-N 2 2 242.326 2.184 20 0 BEADLP Fc1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000334847292 354594554 /nfs/dbraw/zinc/59/45/54/354594554.db2.gz GCXWLBVITZIGLW-LBPRGKRZSA-N 2 2 242.725 2.321 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000335135137 354783848 /nfs/dbraw/zinc/78/38/48/354783848.db2.gz ZLGTUOAZNSDGSV-GXTWGEPZSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000335135137 354783852 /nfs/dbraw/zinc/78/38/52/354783852.db2.gz ZLGTUOAZNSDGSV-GXTWGEPZSA-N 2 2 233.359 2.227 20 0 BEADLP CCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000233338688 363399646 /nfs/dbraw/zinc/39/96/46/363399646.db2.gz DYIDPOSKUVWDCS-AAEUAGOBSA-N 2 2 206.333 2.465 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000366925479 354837211 /nfs/dbraw/zinc/83/72/11/354837211.db2.gz WAWQYODOBJCKQX-LBPRGKRZSA-N 2 2 221.348 2.256 20 0 BEADLP CC(C)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000366925479 354837216 /nfs/dbraw/zinc/83/72/16/354837216.db2.gz WAWQYODOBJCKQX-LBPRGKRZSA-N 2 2 221.348 2.256 20 0 BEADLP CC(C)C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346313402 354893037 /nfs/dbraw/zinc/89/30/37/354893037.db2.gz QAWJGVWZQPSAJX-CYBMUJFWSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346313402 354893040 /nfs/dbraw/zinc/89/30/40/354893040.db2.gz QAWJGVWZQPSAJX-CYBMUJFWSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346313403 354893131 /nfs/dbraw/zinc/89/31/31/354893131.db2.gz QAWJGVWZQPSAJX-ZDUSSCGKSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346313403 354893132 /nfs/dbraw/zinc/89/31/32/354893132.db2.gz QAWJGVWZQPSAJX-ZDUSSCGKSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1ccc(F)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000335192070 355025142 /nfs/dbraw/zinc/02/51/42/355025142.db2.gz GSHOKQQNSVILEH-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(F)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000335192070 355025146 /nfs/dbraw/zinc/02/51/46/355025146.db2.gz GSHOKQQNSVILEH-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000335192070 355025149 /nfs/dbraw/zinc/02/51/49/355025149.db2.gz GSHOKQQNSVILEH-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000335192070 355025151 /nfs/dbraw/zinc/02/51/51/355025151.db2.gz GSHOKQQNSVILEH-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335230375 355073148 /nfs/dbraw/zinc/07/31/48/355073148.db2.gz GGVUSWPEFYWSCF-ZDUSSCGKSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000335230375 355073150 /nfs/dbraw/zinc/07/31/50/355073150.db2.gz GGVUSWPEFYWSCF-ZDUSSCGKSA-N 2 2 245.326 2.311 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000335231168 355073866 /nfs/dbraw/zinc/07/38/66/355073866.db2.gz ZMHPZBOMZOLXJW-TZMCWYRMSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000335231168 355073870 /nfs/dbraw/zinc/07/38/70/355073870.db2.gz ZMHPZBOMZOLXJW-TZMCWYRMSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000335231166 355074386 /nfs/dbraw/zinc/07/43/86/355074386.db2.gz ZMHPZBOMZOLXJW-OCCSQVGLSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000335231166 355074388 /nfs/dbraw/zinc/07/43/88/355074388.db2.gz ZMHPZBOMZOLXJW-OCCSQVGLSA-N 2 2 234.318 2.236 20 0 BEADLP COCCC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000530244089 324554380 /nfs/dbraw/zinc/55/43/80/324554380.db2.gz WKSPSKSIDJGESW-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000335213454 355051041 /nfs/dbraw/zinc/05/10/41/355051041.db2.gz AYBWZMDSPLAJDV-OCCSQVGLSA-N 2 2 218.344 2.316 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CCC[N@@H+]1C ZINC000346800544 355108282 /nfs/dbraw/zinc/10/82/82/355108282.db2.gz RNYRXCQWNDTXMX-WBMJQRKESA-N 2 2 244.382 2.226 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2Cc3ccccc3C2)CCC[N@H+]1C ZINC000346800544 355108285 /nfs/dbraw/zinc/10/82/85/355108285.db2.gz RNYRXCQWNDTXMX-WBMJQRKESA-N 2 2 244.382 2.226 20 0 BEADLP Cc1ccc(OCC[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000346821475 355125158 /nfs/dbraw/zinc/12/51/58/355125158.db2.gz AEGUIZIUZZNCQM-UHFFFAOYSA-N 2 2 236.359 2.043 20 0 BEADLP Cc1ccc(OCC[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000346821475 355125162 /nfs/dbraw/zinc/12/51/62/355125162.db2.gz AEGUIZIUZZNCQM-UHFFFAOYSA-N 2 2 236.359 2.043 20 0 BEADLP C[N@H+](CCCCNc1cccc[nH+]1)C1CC1 ZINC000413347094 191373764 /nfs/dbraw/zinc/37/37/64/191373764.db2.gz KAIXGZMDKNGXRI-UHFFFAOYSA-N 2 2 219.332 2.368 20 0 BEADLP C[N@@H+](CCCCNc1cccc[nH+]1)C1CC1 ZINC000413347094 191373767 /nfs/dbraw/zinc/37/37/67/191373767.db2.gz KAIXGZMDKNGXRI-UHFFFAOYSA-N 2 2 219.332 2.368 20 0 BEADLP C[NH+](C)CC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000413359465 191374773 /nfs/dbraw/zinc/37/47/73/191374773.db2.gz MDTYTXRAKWFBBF-UHFFFAOYSA-N 2 2 234.347 2.106 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414863197 191605004 /nfs/dbraw/zinc/60/50/04/191605004.db2.gz IAODBGZDRKLSOR-YOIVXCQUSA-N 2 2 216.328 2.041 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC1(F)F ZINC000639302790 355650132 /nfs/dbraw/zinc/65/01/32/355650132.db2.gz ITPPYNBYSDEHCR-HBNTYKKESA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1CC1(F)F ZINC000639302790 355650135 /nfs/dbraw/zinc/65/01/35/355650135.db2.gz ITPPYNBYSDEHCR-HBNTYKKESA-N 2 2 246.345 2.493 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCCF)[C@@H]1c1ccccc1 ZINC000352094100 134061597 /nfs/dbraw/zinc/06/15/97/134061597.db2.gz XDILARBULAZUBL-KBPBESRZSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCCF)[C@@H]1c1ccccc1 ZINC000352094100 134061598 /nfs/dbraw/zinc/06/15/98/134061598.db2.gz XDILARBULAZUBL-KBPBESRZSA-N 2 2 236.334 2.381 20 0 BEADLP Fc1ccc(F)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000536599051 355843129 /nfs/dbraw/zinc/84/31/29/355843129.db2.gz VVAWMMSGEOTXOY-UHFFFAOYSA-N 2 2 240.297 2.150 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000389208488 355873149 /nfs/dbraw/zinc/87/31/49/355873149.db2.gz BKHSHKZREHIYMA-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000389208488 355873150 /nfs/dbraw/zinc/87/31/50/355873150.db2.gz BKHSHKZREHIYMA-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000389208500 355873244 /nfs/dbraw/zinc/87/32/44/355873244.db2.gz BKJCZARBMLBDAX-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000389208500 355873245 /nfs/dbraw/zinc/87/32/45/355873245.db2.gz BKJCZARBMLBDAX-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351471952 355996123 /nfs/dbraw/zinc/99/61/23/355996123.db2.gz NIIQRMBMUPKVHS-BZPMIXESSA-N 2 2 232.327 2.191 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351471952 355996126 /nfs/dbraw/zinc/99/61/26/355996126.db2.gz NIIQRMBMUPKVHS-BZPMIXESSA-N 2 2 232.327 2.191 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@H]1C ZINC000351232413 355965022 /nfs/dbraw/zinc/96/50/22/355965022.db2.gz XWSUUNCHDFJHKY-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@H]1C ZINC000351232413 355965024 /nfs/dbraw/zinc/96/50/24/355965024.db2.gz XWSUUNCHDFJHKY-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]1C ZINC000351232413 355965027 /nfs/dbraw/zinc/96/50/27/355965027.db2.gz XWSUUNCHDFJHKY-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1C ZINC000351232413 355965029 /nfs/dbraw/zinc/96/50/29/355965029.db2.gz XWSUUNCHDFJHKY-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC000351883058 356125593 /nfs/dbraw/zinc/12/55/93/356125593.db2.gz RYELWGTUKDBYPT-UPJWGTAASA-N 2 2 228.355 2.293 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)F ZINC000351883058 356125596 /nfs/dbraw/zinc/12/55/96/356125596.db2.gz RYELWGTUKDBYPT-UPJWGTAASA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC000351883058 356125600 /nfs/dbraw/zinc/12/56/00/356125600.db2.gz RYELWGTUKDBYPT-UPJWGTAASA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC000351883058 356125603 /nfs/dbraw/zinc/12/56/03/356125603.db2.gz RYELWGTUKDBYPT-UPJWGTAASA-N 2 2 228.355 2.293 20 0 BEADLP C[N@H+](Cc1cccc(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395567 356092545 /nfs/dbraw/zinc/09/25/45/356092545.db2.gz CGQNOWZKMKQFPV-OAHLLOKOSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639395567 356092548 /nfs/dbraw/zinc/09/25/48/356092548.db2.gz CGQNOWZKMKQFPV-OAHLLOKOSA-N 2 2 248.345 2.352 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000128280032 324818792 /nfs/dbraw/zinc/81/87/92/324818792.db2.gz VQKHVVHYEPGTFK-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000192390129 356182691 /nfs/dbraw/zinc/18/26/91/356182691.db2.gz RFHPLJDPFZBTGA-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)c1nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000420264324 192191395 /nfs/dbraw/zinc/19/13/95/192191395.db2.gz UTIHEPBIPFLCFE-VXGBXAGGSA-N 2 2 248.374 2.164 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422872767 192494872 /nfs/dbraw/zinc/49/48/72/192494872.db2.gz INLSBAURZOQVEZ-GXTWGEPZSA-N 2 2 248.370 2.091 20 0 BEADLP CCc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000420282121 192199197 /nfs/dbraw/zinc/19/91/97/192199197.db2.gz ARGRWNGVLJFBFH-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000420282121 192199199 /nfs/dbraw/zinc/19/91/99/192199199.db2.gz ARGRWNGVLJFBFH-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000420316580 192213402 /nfs/dbraw/zinc/21/34/02/192213402.db2.gz MOTONUXDQMCROX-DGCLKSJQSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000420316580 192213404 /nfs/dbraw/zinc/21/34/04/192213404.db2.gz MOTONUXDQMCROX-DGCLKSJQSA-N 2 2 210.365 2.378 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000420334786 192214784 /nfs/dbraw/zinc/21/47/84/192214784.db2.gz HUGNORQJWJMKPA-CYBMUJFWSA-N 2 2 238.762 2.479 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000420334786 192214787 /nfs/dbraw/zinc/21/47/87/192214787.db2.gz HUGNORQJWJMKPA-CYBMUJFWSA-N 2 2 238.762 2.479 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C[C@@H](O)C2CC2)c(C)[nH+]1 ZINC000639514216 356347434 /nfs/dbraw/zinc/34/74/34/356347434.db2.gz JUCAJNYLFZURNF-OAHLLOKOSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)C2CC2)c(C)[nH+]1 ZINC000639514216 356347435 /nfs/dbraw/zinc/34/74/35/356347435.db2.gz JUCAJNYLFZURNF-OAHLLOKOSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420367698 192225970 /nfs/dbraw/zinc/22/59/70/192225970.db2.gz NCWAIHPWYXDSAC-KCQAQPDRSA-N 2 2 232.371 2.471 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000420322138 192227099 /nfs/dbraw/zinc/22/70/99/192227099.db2.gz SCAFHXUNZKETAJ-MOENNCHZSA-N 2 2 210.365 2.377 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000420322138 192227102 /nfs/dbraw/zinc/22/71/02/192227102.db2.gz SCAFHXUNZKETAJ-MOENNCHZSA-N 2 2 210.365 2.377 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420362766 192221110 /nfs/dbraw/zinc/22/11/10/192221110.db2.gz ITVZZNNPWZQZNU-TYNCELHUSA-N 2 2 248.370 2.171 20 0 BEADLP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC[NH3+] ZINC000420361235 192221631 /nfs/dbraw/zinc/22/16/31/192221631.db2.gz MXYBTGISLNXDKJ-ZDUSSCGKSA-N 2 2 224.323 2.413 20 0 BEADLP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[NH3+] ZINC000420361235 192221634 /nfs/dbraw/zinc/22/16/34/192221634.db2.gz MXYBTGISLNXDKJ-ZDUSSCGKSA-N 2 2 224.323 2.413 20 0 BEADLP CCc1cccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420358930 192222498 /nfs/dbraw/zinc/22/24/98/192222498.db2.gz VEDNLDVTPBUXJQ-WFASDCNBSA-N 2 2 248.370 2.049 20 0 BEADLP CCc1cccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420358930 192222500 /nfs/dbraw/zinc/22/25/00/192222500.db2.gz VEDNLDVTPBUXJQ-WFASDCNBSA-N 2 2 248.370 2.049 20 0 BEADLP C[N@H+](CC[NH3+])CCSc1ccc(Cl)cc1 ZINC000420390774 192236139 /nfs/dbraw/zinc/23/61/39/192236139.db2.gz ZVQQURXDBXENJA-UHFFFAOYSA-N 2 2 244.791 2.323 20 0 BEADLP C[N@@H+](CC[NH3+])CCSc1ccc(Cl)cc1 ZINC000420390774 192236141 /nfs/dbraw/zinc/23/61/41/192236141.db2.gz ZVQQURXDBXENJA-UHFFFAOYSA-N 2 2 244.791 2.323 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420377786 192233710 /nfs/dbraw/zinc/23/37/10/192233710.db2.gz WQADOBZICDLNSK-KCQAQPDRSA-N 2 2 232.371 2.471 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420377788 192233733 /nfs/dbraw/zinc/23/37/33/192233733.db2.gz WQADOBZICDLNSK-UMVBOHGHSA-N 2 2 232.371 2.471 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771269 491091749 /nfs/dbraw/zinc/09/17/49/491091749.db2.gz XXGXPMWIWXRZFJ-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771269 491091750 /nfs/dbraw/zinc/09/17/50/491091750.db2.gz XXGXPMWIWXRZFJ-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CCOCC[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639559257 356465854 /nfs/dbraw/zinc/46/58/54/356465854.db2.gz NFSZKIXONPMCAT-UHFFFAOYSA-N 2 2 236.359 2.475 20 0 BEADLP CCOCC[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639559257 356465858 /nfs/dbraw/zinc/46/58/58/356465858.db2.gz NFSZKIXONPMCAT-UHFFFAOYSA-N 2 2 236.359 2.475 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H]2CO)c(C)[nH+]1 ZINC000639604136 356524554 /nfs/dbraw/zinc/52/45/54/356524554.db2.gz LPXWPBBGOSVICH-BONVTDFDSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(C)[nH+]1 ZINC000639604136 356524557 /nfs/dbraw/zinc/52/45/57/356524557.db2.gz LPXWPBBGOSVICH-BONVTDFDSA-N 2 2 248.370 2.210 20 0 BEADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCSC1 ZINC000449780175 202032730 /nfs/dbraw/zinc/03/27/30/202032730.db2.gz FNHFIZXUPOPHEV-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCSC1 ZINC000449780175 202032732 /nfs/dbraw/zinc/03/27/32/202032732.db2.gz FNHFIZXUPOPHEV-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](O)[C@H]2C)c(C)[nH+]1 ZINC000639662286 356576465 /nfs/dbraw/zinc/57/64/65/356576465.db2.gz JTNUBOHYHHOUAA-UKRRQHHQSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)c(C)[nH+]1 ZINC000639662286 356576468 /nfs/dbraw/zinc/57/64/68/356576468.db2.gz JTNUBOHYHHOUAA-UKRRQHHQSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c(C)[nH+]1 ZINC000639670011 356583153 /nfs/dbraw/zinc/58/31/53/356583153.db2.gz GHNGVKZQPCVCIR-YGRLFVJLSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)C[C@H](O)C2)c(C)[nH+]1 ZINC000639670011 356583157 /nfs/dbraw/zinc/58/31/57/356583157.db2.gz GHNGVKZQPCVCIR-YGRLFVJLSA-N 2 2 248.370 2.210 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422997435 192523157 /nfs/dbraw/zinc/52/31/57/192523157.db2.gz BANCUGRXTMUJHJ-DOMZBBRYSA-N 2 2 248.370 2.091 20 0 BEADLP CCc1cc(N(C)Cc2[nH]cc[nH+]2)cc[nH+]1 ZINC000450338203 202132438 /nfs/dbraw/zinc/13/24/38/202132438.db2.gz JKMCZCGDQGHNSL-UHFFFAOYSA-N 2 2 216.288 2.004 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000130267233 325032107 /nfs/dbraw/zinc/03/21/07/325032107.db2.gz IZDPBEOCKZGZAX-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000423171838 192607777 /nfs/dbraw/zinc/60/77/77/192607777.db2.gz QEYXHFMSLZTVGA-DZGBDDFRSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ncc[nH]1 ZINC000353499246 538746318 /nfs/dbraw/zinc/74/63/18/538746318.db2.gz CNZQSXOJFJGKPY-NSHDSACASA-N 2 2 248.374 2.077 20 0 BEADLP Cc1ccc(CCC[NH2+]CCCF)c[nH+]1 ZINC000389858410 357056061 /nfs/dbraw/zinc/05/60/61/357056061.db2.gz CCFOWULWUMCSOM-UHFFFAOYSA-N 2 2 210.296 2.272 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389868591 357056479 /nfs/dbraw/zinc/05/64/79/357056479.db2.gz IDUAJYOFGOZNTQ-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389868591 357056481 /nfs/dbraw/zinc/05/64/81/357056481.db2.gz IDUAJYOFGOZNTQ-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H](C)C2 ZINC000423220444 192631753 /nfs/dbraw/zinc/63/17/53/192631753.db2.gz XXYSCTSIHRJKPU-UXIGCNINSA-N 2 2 230.355 2.180 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000022576626 357072426 /nfs/dbraw/zinc/07/24/26/357072426.db2.gz ORXQIJPPTVKWFU-MRXNPFEDSA-N 2 2 246.398 2.475 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccsc1 ZINC000423229421 192641790 /nfs/dbraw/zinc/64/17/90/192641790.db2.gz BGSXVQLFSYQXGP-NSHDSACASA-N 2 2 212.362 2.398 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)cc(F)c1 ZINC000423229245 192641869 /nfs/dbraw/zinc/64/18/69/192641869.db2.gz ALBXAXKNLYPXQL-ZANVPECISA-N 2 2 240.297 2.367 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000022871033 357084497 /nfs/dbraw/zinc/08/44/97/357084497.db2.gz ORXQIJPPTVKWFU-INIZCTEOSA-N 2 2 246.398 2.475 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000390373684 357091188 /nfs/dbraw/zinc/09/11/88/357091188.db2.gz WTDSDTIOIFUHEO-OCCSQVGLSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000390373684 357091191 /nfs/dbraw/zinc/09/11/91/357091191.db2.gz WTDSDTIOIFUHEO-OCCSQVGLSA-N 2 2 224.392 2.352 20 0 BEADLP CCSCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610213143 357282561 /nfs/dbraw/zinc/28/25/61/357282561.db2.gz WSHRWQBPBHNWLO-LBPRGKRZSA-N 2 2 239.388 2.273 20 0 BEADLP CCSCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610213143 357282564 /nfs/dbraw/zinc/28/25/64/357282564.db2.gz WSHRWQBPBHNWLO-LBPRGKRZSA-N 2 2 239.388 2.273 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]1C ZINC000393745920 357295814 /nfs/dbraw/zinc/29/58/14/357295814.db2.gz LYGJGIFGONPMSG-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000381460708 357259783 /nfs/dbraw/zinc/25/97/83/357259783.db2.gz KXOWYZCELDWCJU-LOWVWBTDSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000381460708 357259788 /nfs/dbraw/zinc/25/97/88/357259788.db2.gz KXOWYZCELDWCJU-LOWVWBTDSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000582499512 357330069 /nfs/dbraw/zinc/33/00/69/357330069.db2.gz JDOSJHYFNFYUCH-BPLDGKMQSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000582499512 357330074 /nfs/dbraw/zinc/33/00/74/357330074.db2.gz JDOSJHYFNFYUCH-BPLDGKMQSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157808222 538840030 /nfs/dbraw/zinc/84/00/30/538840030.db2.gz BGJUUVGNDHOLTB-CABCVRRESA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157808222 538840036 /nfs/dbraw/zinc/84/00/36/538840036.db2.gz BGJUUVGNDHOLTB-CABCVRRESA-N 2 2 236.403 2.495 20 0 BEADLP CC1CC([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000231787496 357629019 /nfs/dbraw/zinc/62/90/19/357629019.db2.gz XEDNUCDKENKGRF-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1F ZINC000050545640 357678647 /nfs/dbraw/zinc/67/86/47/357678647.db2.gz KITCTCHQZQVICV-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1F ZINC000050545640 357678649 /nfs/dbraw/zinc/67/86/49/357678649.db2.gz KITCTCHQZQVICV-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000086099682 357853657 /nfs/dbraw/zinc/85/36/57/357853657.db2.gz DBSXUSQVBNWBSU-GFCCVEGCSA-N 2 2 236.384 2.202 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000086099682 357853659 /nfs/dbraw/zinc/85/36/59/357853659.db2.gz DBSXUSQVBNWBSU-GFCCVEGCSA-N 2 2 236.384 2.202 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000235463832 357869858 /nfs/dbraw/zinc/86/98/58/357869858.db2.gz ZWGNDGJKPYLBRX-KCJUWKMLSA-N 2 2 240.347 2.299 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cccc(Cl)c1F ZINC000220231235 358029184 /nfs/dbraw/zinc/02/91/84/358029184.db2.gz QUFCRNCFGUVIDY-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cccc(Cl)c1F ZINC000220231235 358029187 /nfs/dbraw/zinc/02/91/87/358029187.db2.gz QUFCRNCFGUVIDY-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2cccc(C)c2)n1C ZINC000584541163 358049984 /nfs/dbraw/zinc/04/99/84/358049984.db2.gz XTNMQDUKXVVJGR-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000225167380 358246742 /nfs/dbraw/zinc/24/67/42/358246742.db2.gz YEFRAJNALOFUGE-JTQLQIEISA-N 2 2 224.373 2.152 20 0 BEADLP CC(C)C[C@@H](C)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539386 491127457 /nfs/dbraw/zinc/12/74/57/491127457.db2.gz URVBXMRCAIHPIO-GFCCVEGCSA-N 2 2 212.381 2.162 20 0 BEADLP CC(C)C[C@@H](C)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539386 491127458 /nfs/dbraw/zinc/12/74/58/491127458.db2.gz URVBXMRCAIHPIO-GFCCVEGCSA-N 2 2 212.381 2.162 20 0 BEADLP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000228267528 358372238 /nfs/dbraw/zinc/37/22/38/358372238.db2.gz VULRSUBMNCVEDZ-VHSXEESVSA-N 2 2 236.363 2.446 20 0 BEADLP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000228267522 358372435 /nfs/dbraw/zinc/37/24/35/358372435.db2.gz VULRSUBMNCVEDZ-UWVGGRQHSA-N 2 2 236.363 2.446 20 0 BEADLP C([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000044684003 358551207 /nfs/dbraw/zinc/55/12/07/358551207.db2.gz BPVMMOKGAOQLGU-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000044684003 358551208 /nfs/dbraw/zinc/55/12/08/358551208.db2.gz BPVMMOKGAOQLGU-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP COC1CC[NH+](CC[NH2+]C2CCCCC2)CC1 ZINC000053341858 358574835 /nfs/dbraw/zinc/57/48/35/358574835.db2.gz OCQKBQRWMFDWHQ-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccco2)CC1 ZINC000125261097 358536147 /nfs/dbraw/zinc/53/61/47/358536147.db2.gz ARAXYCQGCPSJMM-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccco2)CC1 ZINC000125261097 358536151 /nfs/dbraw/zinc/53/61/51/358536151.db2.gz ARAXYCQGCPSJMM-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000130066233 358606703 /nfs/dbraw/zinc/60/67/03/358606703.db2.gz WNKXIZMTEHWPET-CHWSQXEVSA-N 2 2 220.360 2.330 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000129822968 358598644 /nfs/dbraw/zinc/59/86/44/358598644.db2.gz HKUSDGFMFAZCFM-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000129822968 358598648 /nfs/dbraw/zinc/59/86/48/358598648.db2.gz HKUSDGFMFAZCFM-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000131926230 358701569 /nfs/dbraw/zinc/70/15/69/358701569.db2.gz XWBIGEKAHUASBL-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCC1 ZINC000133302592 358750539 /nfs/dbraw/zinc/75/05/39/358750539.db2.gz XRRCJXMGQJGBNP-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000133302592 358750541 /nfs/dbraw/zinc/75/05/41/358750541.db2.gz XRRCJXMGQJGBNP-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134769088 358804626 /nfs/dbraw/zinc/80/46/26/358804626.db2.gz YZAPPXJTYSXZJR-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134769088 358804628 /nfs/dbraw/zinc/80/46/28/358804628.db2.gz YZAPPXJTYSXZJR-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000219838304 134292049 /nfs/dbraw/zinc/29/20/49/134292049.db2.gz SSWWWGZNVORYHW-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000219838304 134292050 /nfs/dbraw/zinc/29/20/50/134292050.db2.gz SSWWWGZNVORYHW-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000054081345 358850556 /nfs/dbraw/zinc/85/05/56/358850556.db2.gz PHWBKKFTYPRCGJ-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000054081345 358850558 /nfs/dbraw/zinc/85/05/58/358850558.db2.gz PHWBKKFTYPRCGJ-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(O)c2)n1C ZINC000578338691 366528347 /nfs/dbraw/zinc/52/83/47/366528347.db2.gz SBVAKLYJSKAMPH-SNVBAGLBSA-N 2 2 245.326 2.285 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000070359626 359051153 /nfs/dbraw/zinc/05/11/53/359051153.db2.gz BEHSYTZNDZTVCY-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CCOC ZINC000070978406 359067671 /nfs/dbraw/zinc/06/76/71/359067671.db2.gz MAWZXCLWORBGDW-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000070978406 359067673 /nfs/dbraw/zinc/06/76/73/359067673.db2.gz MAWZXCLWORBGDW-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[N@H+](CCOCCC(C)C)[C@H]1CC[NH2+]C1 ZINC000071332297 359076656 /nfs/dbraw/zinc/07/66/56/359076656.db2.gz BALWZOYQWGQTHV-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[N@@H+](CCOCCC(C)C)[C@H]1CC[NH2+]C1 ZINC000071332297 359076661 /nfs/dbraw/zinc/07/66/61/359076661.db2.gz BALWZOYQWGQTHV-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc(NC[C@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000070447776 359056911 /nfs/dbraw/zinc/05/69/11/359056911.db2.gz RZSWWMKQTKWBIU-NSHDSACASA-N 2 2 236.363 2.304 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248033572 359251620 /nfs/dbraw/zinc/25/16/20/359251620.db2.gz QZTVPZHPABLANL-MGPQQGTHSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CS1 ZINC000628477068 359312637 /nfs/dbraw/zinc/31/26/37/359312637.db2.gz FULCXHXQEXTKEM-RWMBFGLXSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CS1 ZINC000628477068 359312642 /nfs/dbraw/zinc/31/26/42/359312642.db2.gz FULCXHXQEXTKEM-RWMBFGLXSA-N 2 2 242.432 2.200 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423467883 192784269 /nfs/dbraw/zinc/78/42/69/192784269.db2.gz OEBFGUSHTGDKET-GXTWGEPZSA-N 2 2 235.375 2.496 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556867 192813636 /nfs/dbraw/zinc/81/36/36/192813636.db2.gz MVDZZLYXSHCZAD-JSGCOSHPSA-N 2 2 247.386 2.437 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000308992181 491142080 /nfs/dbraw/zinc/14/20/80/491142080.db2.gz LLLHYUAERCVNTP-NWDGAFQWSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC=C(Cl)Cl ZINC000403624768 359630984 /nfs/dbraw/zinc/63/09/84/359630984.db2.gz LSJZDOBZJSKMBT-JGVFFNPUSA-N 2 2 223.147 2.117 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC=C(Cl)Cl ZINC000403624768 359630990 /nfs/dbraw/zinc/63/09/90/359630990.db2.gz LSJZDOBZJSKMBT-JGVFFNPUSA-N 2 2 223.147 2.117 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000309019954 491142498 /nfs/dbraw/zinc/14/24/98/491142498.db2.gz WMNHVYAFIMQDMI-OLZOCXBDSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000309019954 491142499 /nfs/dbraw/zinc/14/24/99/491142499.db2.gz WMNHVYAFIMQDMI-OLZOCXBDSA-N 2 2 212.381 2.351 20 0 BEADLP CO[C@H]1C[C@@H](C[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000628494295 359673834 /nfs/dbraw/zinc/67/38/34/359673834.db2.gz KLMSQDAXQSMLDC-GASCZTMLSA-N 2 2 248.370 2.337 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309039575 491143135 /nfs/dbraw/zinc/14/31/35/491143135.db2.gz KLSNIDMQNGVWAR-NEPJUHHUSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1F ZINC000087365119 359908592 /nfs/dbraw/zinc/90/85/92/359908592.db2.gz IZZBMHADNZVTGH-PWSUYJOCSA-N 2 2 222.307 2.147 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000087012446 359893417 /nfs/dbraw/zinc/89/34/17/359893417.db2.gz YZOMZKLUZYJSMZ-CQSZACIVSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000087012446 359893421 /nfs/dbraw/zinc/89/34/21/359893421.db2.gz YZOMZKLUZYJSMZ-CQSZACIVSA-N 2 2 216.328 2.097 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000578669395 366625816 /nfs/dbraw/zinc/62/58/16/366625816.db2.gz KNPUMJAXDOEAQO-NWDGAFQWSA-N 2 2 231.343 2.120 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000088162166 359938703 /nfs/dbraw/zinc/93/87/03/359938703.db2.gz OAHXYTBTFKEGSJ-GXTWGEPZSA-N 2 2 218.344 2.398 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083434958 325569119 /nfs/dbraw/zinc/56/91/19/325569119.db2.gz OWSOXVOBFKWIPC-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094370792 360306391 /nfs/dbraw/zinc/30/63/91/360306391.db2.gz ZXNOHDIBWFYERA-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CC1)C1CC1 ZINC000309487905 491149608 /nfs/dbraw/zinc/14/96/08/491149608.db2.gz WAXZUULSNFFVCH-KBPBESRZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CC1)C1CC1 ZINC000309487905 491149609 /nfs/dbraw/zinc/14/96/09/491149609.db2.gz WAXZUULSNFFVCH-KBPBESRZSA-N 2 2 222.376 2.249 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC13CC3)CCC2 ZINC000631192308 360573424 /nfs/dbraw/zinc/57/34/24/360573424.db2.gz KLQGJSWCTDGMHE-LBPRGKRZSA-N 2 2 231.343 2.252 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CCC1)Cn1cc[nH+]c1 ZINC000309589321 491151624 /nfs/dbraw/zinc/15/16/24/491151624.db2.gz UGDBOJYGZOYJQX-GFCCVEGCSA-N 2 2 221.348 2.299 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000309577994 491151995 /nfs/dbraw/zinc/15/19/95/491151995.db2.gz RAAZKNKTMVYXAA-CHWSQXEVSA-N 2 2 219.332 2.051 20 0 BEADLP CCCc1[nH+]ccn1Cc1ccc(N(C)C)[nH+]c1 ZINC000629164026 360914121 /nfs/dbraw/zinc/91/41/21/360914121.db2.gz KDRIXKUGQCKDMF-UHFFFAOYSA-N 2 2 244.342 2.345 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414923556 200782001 /nfs/dbraw/zinc/78/20/01/200782001.db2.gz HPZYTXXGSMWVFV-BXUZGUMPSA-N 2 2 236.334 2.222 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629404726 361055317 /nfs/dbraw/zinc/05/53/17/361055317.db2.gz CLSICGZLLIAPDC-DOFRETIQSA-N 2 2 246.354 2.048 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C[NH2+]1 ZINC000629393543 361041849 /nfs/dbraw/zinc/04/18/49/361041849.db2.gz BWQWVGWGZYMWSG-IEOKHJKGSA-N 2 2 230.355 2.430 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1F ZINC000629396948 361046878 /nfs/dbraw/zinc/04/68/78/361046878.db2.gz RQXSAHWOZCVPCQ-WCQYABFASA-N 2 2 236.334 2.364 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629405475 361052790 /nfs/dbraw/zinc/05/27/90/361052790.db2.gz BRCHPYZZDPBERP-SWLSCSKDSA-N 2 2 248.370 2.314 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)C[NH2+]1 ZINC000629418375 361063017 /nfs/dbraw/zinc/06/30/17/361063017.db2.gz XKFSKMJUQQXZOG-IUODEOHRSA-N 2 2 244.382 2.405 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000629523840 361121419 /nfs/dbraw/zinc/12/14/19/361121419.db2.gz JNOAUKBIYHPEOS-BYCMXARLSA-N 2 2 248.370 2.486 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccccc1OC ZINC000629524190 361121992 /nfs/dbraw/zinc/12/19/92/361121992.db2.gz NKSFJFNMKZJXPR-KWCYVHTRSA-N 2 2 248.370 2.486 20 0 BEADLP COC1(C[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)CCC1 ZINC000429385149 201105932 /nfs/dbraw/zinc/10/59/32/201105932.db2.gz XEHREBYGHNUHNP-GFCCVEGCSA-N 2 2 242.407 2.264 20 0 BEADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000429516816 201112610 /nfs/dbraw/zinc/11/26/10/201112610.db2.gz FGNIKFQIOJIWHH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CCC1 ZINC000429516816 201112612 /nfs/dbraw/zinc/11/26/12/201112612.db2.gz FGNIKFQIOJIWHH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000629536135 361398644 /nfs/dbraw/zinc/39/86/44/361398644.db2.gz FUDFOBXZVHHOIL-YWVKMMECSA-N 2 2 239.388 2.243 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccncc1 ZINC000629537731 361400963 /nfs/dbraw/zinc/40/09/63/361400963.db2.gz IHSTUOWKXDZLAB-UBHSHLNASA-N 2 2 233.359 2.263 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2c(F)cccc2Cl)CCC1 ZINC000342137139 181332022 /nfs/dbraw/zinc/33/20/22/181332022.db2.gz MOTIYMNWCQNEBF-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429375224 201104013 /nfs/dbraw/zinc/10/40/13/201104013.db2.gz BAURHUNAFYUZQG-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560019 201116550 /nfs/dbraw/zinc/11/65/50/201116550.db2.gz IVKKJLDSCNRZST-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560019 201116552 /nfs/dbraw/zinc/11/65/52/201116552.db2.gz IVKKJLDSCNRZST-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C[NH2+]1 ZINC000629540961 361415443 /nfs/dbraw/zinc/41/54/43/361415443.db2.gz QBSRQLNCHALRDO-KWCYVHTRSA-N 2 2 245.370 2.189 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629543132 361422080 /nfs/dbraw/zinc/42/20/80/361422080.db2.gz UIIMYZKAOHWGLA-AGIUHOORSA-N 2 2 233.359 2.181 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000629544857 361424223 /nfs/dbraw/zinc/42/42/23/361424223.db2.gz DQQJZBWIIXBLBS-GBIKHYSHSA-N 2 2 222.307 2.227 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000629545948 361426986 /nfs/dbraw/zinc/42/69/86/361426986.db2.gz TXKURBMOSGCALI-NILFDRSVSA-N 2 2 230.355 2.478 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629546319 361428079 /nfs/dbraw/zinc/42/80/79/361428079.db2.gz RXPZUNMUCDYIFW-SGMGOOAPSA-N 2 2 218.344 2.396 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1N(C)C ZINC000629546627 361429300 /nfs/dbraw/zinc/42/93/00/361429300.db2.gz UWFLCKHRYCSCGM-SGMGOOAPSA-N 2 2 247.386 2.154 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000629547023 361430794 /nfs/dbraw/zinc/43/07/94/361430794.db2.gz DUDKOLDEKKRPOG-WCABBAIRSA-N 2 2 210.346 2.149 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000629547813 361431230 /nfs/dbraw/zinc/43/12/30/361431230.db2.gz UVAFCOZWBRBFMZ-NILFDRSVSA-N 2 2 245.370 2.263 20 0 BEADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553365 361438296 /nfs/dbraw/zinc/43/82/96/361438296.db2.gz NKJUADDPMVBGEK-SCRDCRAPSA-N 2 2 230.355 2.495 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)c(OC)c(C)c1 ZINC000629654719 361559083 /nfs/dbraw/zinc/55/90/83/361559083.db2.gz PYIJBYXOHPSIML-UHFFFAOYSA-N 2 2 236.359 2.093 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(C)c(OC)c(C)c1 ZINC000629654719 361559090 /nfs/dbraw/zinc/55/90/90/361559090.db2.gz PYIJBYXOHPSIML-UHFFFAOYSA-N 2 2 236.359 2.093 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCC(F)(F)CC1 ZINC000629655138 361560588 /nfs/dbraw/zinc/56/05/88/361560588.db2.gz SOBZSFCAGKEPSP-UHFFFAOYSA-N 2 2 234.334 2.496 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCCC(F)(F)CC1 ZINC000629655138 361560590 /nfs/dbraw/zinc/56/05/90/361560590.db2.gz SOBZSFCAGKEPSP-UHFFFAOYSA-N 2 2 234.334 2.496 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629659775 361564752 /nfs/dbraw/zinc/56/47/52/361564752.db2.gz GTQPDJHTPKMLHH-UKRRQHHQSA-N 2 2 247.386 2.053 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c[nH+]1 ZINC000629659775 361564755 /nfs/dbraw/zinc/56/47/55/361564755.db2.gz GTQPDJHTPKMLHH-UKRRQHHQSA-N 3 2 247.386 2.053 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000163732864 361565543 /nfs/dbraw/zinc/56/55/43/361565543.db2.gz RRBBVQLKKYUXCM-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000163732864 361565548 /nfs/dbraw/zinc/56/55/48/361565548.db2.gz RRBBVQLKKYUXCM-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@]13C[C@@H]1CCCC3)CCC2 ZINC000631224719 361565803 /nfs/dbraw/zinc/56/58/03/361565803.db2.gz CVIALLLLPCXBMI-FZMZJTMJSA-N 2 2 231.343 2.252 20 0 BEADLP C[N@H+](CC1=Cc2ccccc2OC1)CC(C)(C)[NH3+] ZINC000629649758 361546366 /nfs/dbraw/zinc/54/63/66/361546366.db2.gz FYJGKXBICZDJFF-UHFFFAOYSA-N 2 2 246.354 2.132 20 0 BEADLP C[N@@H+](CC1=Cc2ccccc2OC1)CC(C)(C)[NH3+] ZINC000629649758 361546373 /nfs/dbraw/zinc/54/63/73/361546373.db2.gz FYJGKXBICZDJFF-UHFFFAOYSA-N 2 2 246.354 2.132 20 0 BEADLP C[NH2+]c1ccc(N[C@@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000629653685 361552923 /nfs/dbraw/zinc/55/29/23/361552923.db2.gz MFBDOHGSDNOBHK-GWCFXTLKSA-N 2 2 219.332 2.138 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc2cc(F)ccc2o1 ZINC000629651120 361556189 /nfs/dbraw/zinc/55/61/89/361556189.db2.gz JQBYBURMGHUWHN-UHFFFAOYSA-N 2 2 236.290 2.353 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc2cc(F)ccc2o1 ZINC000629651120 361556192 /nfs/dbraw/zinc/55/61/92/361556192.db2.gz JQBYBURMGHUWHN-UHFFFAOYSA-N 2 2 236.290 2.353 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2c(O)cccc2C1 ZINC000629667407 361589093 /nfs/dbraw/zinc/58/90/93/361589093.db2.gz UONKXWOLCMDDEC-CYBMUJFWSA-N 2 2 248.370 2.124 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2c(O)cccc2C1 ZINC000629667407 361589095 /nfs/dbraw/zinc/58/90/95/361589095.db2.gz UONKXWOLCMDDEC-CYBMUJFWSA-N 2 2 248.370 2.124 20 0 BEADLP CCCc1cccc(C[N@@H+]2CC[C@H]([NH2+]C)C2)c1 ZINC000435376602 201265558 /nfs/dbraw/zinc/26/55/58/201265558.db2.gz RXXPPQPPAYBGJG-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1cccc(C[N@H+]2CC[C@H]([NH2+]C)C2)c1 ZINC000435376602 201265562 /nfs/dbraw/zinc/26/55/62/201265562.db2.gz RXXPPQPPAYBGJG-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CC[N@H+](Cc1cscn1)[C@H]1CCC[NH2+]CC1 ZINC000435389306 201266221 /nfs/dbraw/zinc/26/62/21/201266221.db2.gz JXEFEJNUKUMBOC-LBPRGKRZSA-N 2 2 239.388 2.107 20 0 BEADLP CC[N@@H+](Cc1cscn1)[C@H]1CCC[NH2+]CC1 ZINC000435389306 201266225 /nfs/dbraw/zinc/26/62/25/201266225.db2.gz JXEFEJNUKUMBOC-LBPRGKRZSA-N 2 2 239.388 2.107 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000435880538 201293968 /nfs/dbraw/zinc/29/39/68/201293968.db2.gz PMMXPISIFUKZLC-DZGCQCFKSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000435880538 201293970 /nfs/dbraw/zinc/29/39/70/201293970.db2.gz PMMXPISIFUKZLC-DZGCQCFKSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000435886257 201294471 /nfs/dbraw/zinc/29/44/71/201294471.db2.gz VFDMMUKEKMFROX-LLVKDONJSA-N 2 2 239.388 2.280 20 0 BEADLP C[NH2+]CCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000435886257 201294475 /nfs/dbraw/zinc/29/44/75/201294475.db2.gz VFDMMUKEKMFROX-LLVKDONJSA-N 2 2 239.388 2.280 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC[C@@H]3CCOC3)C2)[nH]1 ZINC000437578790 201357055 /nfs/dbraw/zinc/35/70/55/201357055.db2.gz JZWUNXGKUWAPOG-CHWSQXEVSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC[C@@H]3CCOC3)C2)[nH]1 ZINC000437578790 201357059 /nfs/dbraw/zinc/35/70/59/201357059.db2.gz JZWUNXGKUWAPOG-CHWSQXEVSA-N 2 2 249.358 2.016 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](CC)C1CC1)C(C)C ZINC000155866232 201359057 /nfs/dbraw/zinc/35/90/57/201359057.db2.gz IKBLDEFRKUHNBN-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](CC)C1CC1)C(C)C ZINC000155866232 201359060 /nfs/dbraw/zinc/35/90/60/201359060.db2.gz IKBLDEFRKUHNBN-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP c1[nH]cc(C2CC[NH+](CC[C@@H]3CCOC3)CC2)[nH+]1 ZINC000438115376 201393462 /nfs/dbraw/zinc/39/34/62/201393462.db2.gz KOUPKPVQOXUOLC-GFCCVEGCSA-N 2 2 249.358 2.016 20 0 BEADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc[nH+]c1 ZINC000625678340 541324894 /nfs/dbraw/zinc/32/48/94/541324894.db2.gz YPVBIRVYDIOZDY-PHIMTYICSA-N 2 2 241.285 2.145 20 0 BEADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc[nH+]c1 ZINC000625678340 541324899 /nfs/dbraw/zinc/32/48/99/541324899.db2.gz YPVBIRVYDIOZDY-PHIMTYICSA-N 2 2 241.285 2.145 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399015898 364723951 /nfs/dbraw/zinc/72/39/51/364723951.db2.gz DWONESDLNIYMIO-WFASDCNBSA-N 2 2 232.371 2.479 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299918991 364821720 /nfs/dbraw/zinc/82/17/20/364821720.db2.gz KTCJLWXQJMWNDH-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299918991 364821725 /nfs/dbraw/zinc/82/17/25/364821725.db2.gz KTCJLWXQJMWNDH-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299913753 364821942 /nfs/dbraw/zinc/82/19/42/364821942.db2.gz DTMFVCAVRKGZKP-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299913753 364821947 /nfs/dbraw/zinc/82/19/47/364821947.db2.gz DTMFVCAVRKGZKP-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000335005424 541418945 /nfs/dbraw/zinc/41/89/45/541418945.db2.gz AWWCSAWEADXJJL-JSGCOSHPSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000335005424 541418948 /nfs/dbraw/zinc/41/89/48/541418948.db2.gz AWWCSAWEADXJJL-JSGCOSHPSA-N 2 2 249.358 2.120 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000574169092 365002743 /nfs/dbraw/zinc/00/27/43/365002743.db2.gz ANJDEADAIDYXFL-CYBMUJFWSA-N 2 2 239.338 2.177 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](C)(F)C1 ZINC000574169092 365002748 /nfs/dbraw/zinc/00/27/48/365002748.db2.gz ANJDEADAIDYXFL-CYBMUJFWSA-N 2 2 239.338 2.177 20 0 BEADLP CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000343927882 541449447 /nfs/dbraw/zinc/44/94/47/541449447.db2.gz JZUWCNNLOZGPRF-VXGBXAGGSA-N 2 2 238.379 2.181 20 0 BEADLP CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000343927882 541449448 /nfs/dbraw/zinc/44/94/48/541449448.db2.gz JZUWCNNLOZGPRF-VXGBXAGGSA-N 2 2 238.379 2.181 20 0 BEADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCO1 ZINC000038033218 181390489 /nfs/dbraw/zinc/39/04/89/181390489.db2.gz CMIUXUMVNUVFTK-OAHLLOKOSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H]1CCCCO1 ZINC000038033218 181390493 /nfs/dbraw/zinc/39/04/93/181390493.db2.gz CMIUXUMVNUVFTK-OAHLLOKOSA-N 2 2 248.370 2.016 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000575326296 365290970 /nfs/dbraw/zinc/29/09/70/365290970.db2.gz MVFQBISIAAEAIZ-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000575326296 365290974 /nfs/dbraw/zinc/29/09/74/365290974.db2.gz MVFQBISIAAEAIZ-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cscn1 ZINC000576099281 365480729 /nfs/dbraw/zinc/48/07/29/365480729.db2.gz YOXPFQDEMJIIFG-SECBINFHSA-N 2 2 227.377 2.311 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccoc1 ZINC000087289862 365495506 /nfs/dbraw/zinc/49/55/06/365495506.db2.gz RBVDZUHMWIPDMF-QWRGUYRKSA-N 2 2 219.288 2.215 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182706592 366933916 /nfs/dbraw/zinc/93/39/16/366933916.db2.gz JXEMVHYCBPYPJY-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182706592 366933917 /nfs/dbraw/zinc/93/39/17/366933917.db2.gz JXEMVHYCBPYPJY-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)(C)C ZINC000579842481 367045088 /nfs/dbraw/zinc/04/50/88/367045088.db2.gz JLWFYDJHUJCFSR-LOWVWBTDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)(C)C ZINC000579842481 367045092 /nfs/dbraw/zinc/04/50/92/367045092.db2.gz JLWFYDJHUJCFSR-LOWVWBTDSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580962355 367219957 /nfs/dbraw/zinc/21/99/57/367219957.db2.gz DXBLRXBHHJFPFG-HIFPTAJRSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580962355 367219961 /nfs/dbraw/zinc/21/99/61/367219961.db2.gz DXBLRXBHHJFPFG-HIFPTAJRSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000380576898 367245686 /nfs/dbraw/zinc/24/56/86/367245686.db2.gz VIWIKQWORONPNJ-RYUDHWBXSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380576898 367245691 /nfs/dbraw/zinc/24/56/91/367245691.db2.gz VIWIKQWORONPNJ-RYUDHWBXSA-N 2 2 212.381 2.480 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382193010 367496712 /nfs/dbraw/zinc/49/67/12/367496712.db2.gz CQGCUQFUCVOJEC-TUAOUCFPSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH2+]CCSCc1cn2cc(C)ccc2[nH+]1 ZINC000382644000 367549203 /nfs/dbraw/zinc/54/92/03/367549203.db2.gz HBJFXYDEDYGWBA-UHFFFAOYSA-N 2 2 235.356 2.095 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000382983299 367580476 /nfs/dbraw/zinc/58/04/76/367580476.db2.gz ZAEJTGUZBCJQGF-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000382983299 367580482 /nfs/dbraw/zinc/58/04/82/367580482.db2.gz ZAEJTGUZBCJQGF-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399178945 367851278 /nfs/dbraw/zinc/85/12/78/367851278.db2.gz KWMWVVITONMHJL-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP FC1(F)CCC[C@@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385365954 367821563 /nfs/dbraw/zinc/82/15/63/367821563.db2.gz JLAXQCHQEQYAKO-UTUOFQBUSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CCC[C@@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385365954 367821566 /nfs/dbraw/zinc/82/15/66/367821566.db2.gz JLAXQCHQEQYAKO-UTUOFQBUSA-N 2 2 244.329 2.106 20 0 BEADLP c1oc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385367589 367823636 /nfs/dbraw/zinc/82/36/36/367823636.db2.gz JWIZZWJAGRNYFS-RISCZKNCSA-N 2 2 242.322 2.227 20 0 BEADLP c1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385367589 367823639 /nfs/dbraw/zinc/82/36/39/367823639.db2.gz JWIZZWJAGRNYFS-RISCZKNCSA-N 2 2 242.322 2.227 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C/C=C\c1ccccc1 ZINC000581773868 367824738 /nfs/dbraw/zinc/82/47/38/367824738.db2.gz UYPYBGJOPXZSMI-PRHFBSNISA-N 2 2 216.328 2.121 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C/C=C\c1ccccc1 ZINC000581773868 367824741 /nfs/dbraw/zinc/82/47/41/367824741.db2.gz UYPYBGJOPXZSMI-PRHFBSNISA-N 2 2 216.328 2.121 20 0 BEADLP Cc1cc(C)c(Cn2cc[nH+]c2)c(C)[nH+]1 ZINC000631013126 370892283 /nfs/dbraw/zinc/89/22/83/370892283.db2.gz SDPLVPVRZJSSDK-UHFFFAOYSA-N 2 2 201.273 2.252 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399239737 367911272 /nfs/dbraw/zinc/91/12/72/367911272.db2.gz IJBKQAJJIDTNMH-GHMZBOCLSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCC[NH2+]1 ZINC000385993679 367893759 /nfs/dbraw/zinc/89/37/59/367893759.db2.gz JJUUJOKUMQFYSJ-SMDDNHRTSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000386008204 367895644 /nfs/dbraw/zinc/89/56/44/367895644.db2.gz MBGMGDGQKOSDRZ-SMDDNHRTSA-N 2 2 236.334 2.446 20 0 BEADLP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386535268 367987591 /nfs/dbraw/zinc/98/75/91/367987591.db2.gz BPLXFEDKKGSMJZ-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@H]([NH2+]CCOc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000386556836 367990087 /nfs/dbraw/zinc/99/00/87/367990087.db2.gz ICVGPAVCDVICOV-ZFWWWQNUSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1ncsc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386628554 368003914 /nfs/dbraw/zinc/00/39/14/368003914.db2.gz ZOBPFDOIBKOOCJ-GXSJLCMTSA-N 2 2 239.388 2.072 20 0 BEADLP CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386451710 367976297 /nfs/dbraw/zinc/97/62/97/367976297.db2.gz OAPAHCAZBHSMTQ-KGLIPLIRSA-N 2 2 242.407 2.169 20 0 BEADLP C[C@H]([NH3+])c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278218 369008123 /nfs/dbraw/zinc/00/81/23/369008123.db2.gz RLJIZDYKPROIAD-JTQLQIEISA-N 2 2 231.299 2.019 20 0 BEADLP CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156355045 326228967 /nfs/dbraw/zinc/22/89/67/326228967.db2.gz GOANMDHHKRYJHC-ZDUSSCGKSA-N 2 2 220.316 2.335 20 0 BEADLP CCC[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459378796 203271217 /nfs/dbraw/zinc/27/12/17/203271217.db2.gz ZFPBICXRKGKTBG-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP CCC[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459378796 203271220 /nfs/dbraw/zinc/27/12/20/203271220.db2.gz ZFPBICXRKGKTBG-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459385562 203272373 /nfs/dbraw/zinc/27/23/73/203272373.db2.gz YWWUBVQCUUMPQO-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459385562 203272377 /nfs/dbraw/zinc/27/23/77/203272377.db2.gz YWWUBVQCUUMPQO-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CCC[N@H+](CCc1c[nH+]cn1C)CC(C)C ZINC000459322650 203258026 /nfs/dbraw/zinc/25/80/26/203258026.db2.gz HQRUGRJTVWLNPS-UHFFFAOYSA-N 2 2 223.364 2.331 20 0 BEADLP CCC[N@@H+](CCc1c[nH+]cn1C)CC(C)C ZINC000459322650 203258028 /nfs/dbraw/zinc/25/80/28/203258028.db2.gz HQRUGRJTVWLNPS-UHFFFAOYSA-N 2 2 223.364 2.331 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000459345709 203264015 /nfs/dbraw/zinc/26/40/15/203264015.db2.gz WHTXCSCJIIKEJC-CYBMUJFWSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000459345709 203264017 /nfs/dbraw/zinc/26/40/17/203264017.db2.gz WHTXCSCJIIKEJC-CYBMUJFWSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459412227 203277445 /nfs/dbraw/zinc/27/74/45/203277445.db2.gz RFBZBCPCLDVBIF-AAEUAGOBSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459412227 203277448 /nfs/dbraw/zinc/27/74/48/203277448.db2.gz RFBZBCPCLDVBIF-AAEUAGOBSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459654348 203330005 /nfs/dbraw/zinc/33/00/05/203330005.db2.gz FHUJOGDDIDQJBI-SECBINFHSA-N 2 2 249.280 2.283 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000459656595 203331339 /nfs/dbraw/zinc/33/13/39/203331339.db2.gz LIJJHQVTMGDTDS-GBOPCIDUSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000459656595 203331340 /nfs/dbraw/zinc/33/13/40/203331340.db2.gz LIJJHQVTMGDTDS-GBOPCIDUSA-N 2 2 236.403 2.493 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459804943 203373378 /nfs/dbraw/zinc/37/33/78/203373378.db2.gz PGDHNWIIPYHEJS-VXGBXAGGSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000165276715 203383735 /nfs/dbraw/zinc/38/37/35/203383735.db2.gz RAPPFWLLBLRHAO-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCc1ccsc1 ZINC000631862495 369548728 /nfs/dbraw/zinc/54/87/28/369548728.db2.gz QBQDWNPEXLYJPA-PWSUYJOCSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCc1ccsc1 ZINC000631862495 369548731 /nfs/dbraw/zinc/54/87/31/369548731.db2.gz QBQDWNPEXLYJPA-PWSUYJOCSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252157948 369999336 /nfs/dbraw/zinc/99/93/36/369999336.db2.gz NQBAYGDGERBKPR-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252157948 369999339 /nfs/dbraw/zinc/99/93/39/369999339.db2.gz NQBAYGDGERBKPR-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000621383988 370328140 /nfs/dbraw/zinc/32/81/40/370328140.db2.gz WPRANLIAOJAMIQ-KPFVRQRISA-N 2 2 222.376 2.247 20 0 BEADLP CC1CC(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000621383988 370328142 /nfs/dbraw/zinc/32/81/42/370328142.db2.gz WPRANLIAOJAMIQ-KPFVRQRISA-N 2 2 222.376 2.247 20 0 BEADLP CCc1cc(NCC2([NH+](C)C)CCCC2)nc[nH+]1 ZINC000113308339 370399916 /nfs/dbraw/zinc/39/99/16/370399916.db2.gz FYPLCZKWBPKQSA-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccn1 ZINC000621773961 370518536 /nfs/dbraw/zinc/51/85/36/370518536.db2.gz HDOABOUUNYZBDA-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccn1 ZINC000621773961 370518541 /nfs/dbraw/zinc/51/85/41/370518541.db2.gz HDOABOUUNYZBDA-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734501 370488948 /nfs/dbraw/zinc/48/89/48/370488948.db2.gz OMRUREWSBBFERY-SCVCMEIPSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000621734501 370488957 /nfs/dbraw/zinc/48/89/57/370488957.db2.gz OMRUREWSBBFERY-SCVCMEIPSA-N 2 2 244.329 2.104 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)n1 ZINC000621784104 370536360 /nfs/dbraw/zinc/53/63/60/370536360.db2.gz JWSYSMHQDURSNT-HUUCEWRRSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)n1 ZINC000621784104 370536365 /nfs/dbraw/zinc/53/63/65/370536365.db2.gz JWSYSMHQDURSNT-HUUCEWRRSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784718 370537780 /nfs/dbraw/zinc/53/77/80/370537780.db2.gz UFVFFHLFVGWXQZ-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784718 370537782 /nfs/dbraw/zinc/53/77/82/370537782.db2.gz UFVFFHLFVGWXQZ-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1F)C2 ZINC000621778874 370527180 /nfs/dbraw/zinc/52/71/80/370527180.db2.gz WHEQWXQFLXNTGV-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000621778874 370527186 /nfs/dbraw/zinc/52/71/86/370527186.db2.gz WHEQWXQFLXNTGV-JSGCOSHPSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000621778160 370527871 /nfs/dbraw/zinc/52/78/71/370527871.db2.gz LKVQFNHWZYKXRF-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000621778160 370527877 /nfs/dbraw/zinc/52/78/77/370527877.db2.gz LKVQFNHWZYKXRF-GXTWGEPZSA-N 2 2 234.318 2.139 20 0 BEADLP CC[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC001642790962 1172404189 /nfs/dbraw/zinc/40/41/89/1172404189.db2.gz KEIAVDLSFXYQCF-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC001642790962 1172404192 /nfs/dbraw/zinc/40/41/92/1172404192.db2.gz KEIAVDLSFXYQCF-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)=CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000389933948 371182668 /nfs/dbraw/zinc/18/26/68/371182668.db2.gz MGMIALJQQZUMGI-ZDUSSCGKSA-N 2 2 210.365 2.415 20 0 BEADLP CC(C)=CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000389933948 371182672 /nfs/dbraw/zinc/18/26/72/371182672.db2.gz MGMIALJQQZUMGI-ZDUSSCGKSA-N 2 2 210.365 2.415 20 0 BEADLP [NH3+][C@@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000040408870 181548488 /nfs/dbraw/zinc/54/84/88/181548488.db2.gz MGDNYURHPAKPPM-ZDUSSCGKSA-N 2 2 204.317 2.219 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101025 371305898 /nfs/dbraw/zinc/30/58/98/371305898.db2.gz FSEAPMJZVPWKTA-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101025 371305900 /nfs/dbraw/zinc/30/59/00/371305900.db2.gz FSEAPMJZVPWKTA-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189130 371377883 /nfs/dbraw/zinc/37/78/83/371377883.db2.gz ZZBGSGYWCGGWQU-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189130 371377890 /nfs/dbraw/zinc/37/78/90/371377890.db2.gz ZZBGSGYWCGGWQU-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189499 371378005 /nfs/dbraw/zinc/37/80/05/371378005.db2.gz OPQGLNDOSYRONE-WCQYABFASA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189499 371378010 /nfs/dbraw/zinc/37/80/10/371378010.db2.gz OPQGLNDOSYRONE-WCQYABFASA-N 2 2 240.416 2.098 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)n1 ZINC000624270291 371451310 /nfs/dbraw/zinc/45/13/10/371451310.db2.gz DYOPRTNQWBYDNU-OCCSQVGLSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)n1 ZINC000624270291 371451314 /nfs/dbraw/zinc/45/13/14/371451314.db2.gz DYOPRTNQWBYDNU-OCCSQVGLSA-N 2 2 247.386 2.443 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624271753 371453401 /nfs/dbraw/zinc/45/34/01/371453401.db2.gz CNGHRRQPCDGSJF-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624271753 371453405 /nfs/dbraw/zinc/45/34/05/371453405.db2.gz CNGHRRQPCDGSJF-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226705857 371727475 /nfs/dbraw/zinc/72/74/75/371727475.db2.gz ZCBXTTOLDSAPRQ-OLZOCXBDSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000226705857 371727479 /nfs/dbraw/zinc/72/74/79/371727479.db2.gz ZCBXTTOLDSAPRQ-OLZOCXBDSA-N 2 2 208.349 2.027 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000163681646 372030849 /nfs/dbraw/zinc/03/08/49/372030849.db2.gz YQZUZWSLMDFHHU-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000163681646 372030853 /nfs/dbraw/zinc/03/08/53/372030853.db2.gz YQZUZWSLMDFHHU-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)o1 ZINC000631244164 372257497 /nfs/dbraw/zinc/25/74/97/372257497.db2.gz YTEPLHWSSQYPOR-UHFFFAOYSA-N 2 2 245.326 2.339 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ncccc21 ZINC000631572699 372431977 /nfs/dbraw/zinc/43/19/77/372431977.db2.gz DQORZDSKWZBLBZ-DOMZBBRYSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ncccc21 ZINC000631572699 372431982 /nfs/dbraw/zinc/43/19/82/372431982.db2.gz DQORZDSKWZBLBZ-DOMZBBRYSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+](C[C@H]1CCC(F)(F)C1)CC(C)(C)[NH3+] ZINC000631829385 372610266 /nfs/dbraw/zinc/61/02/66/372610266.db2.gz PELDOXCMRXNBRU-VIFPVBQESA-N 2 2 220.307 2.091 20 0 BEADLP C[N@@H+](C[C@H]1CCC(F)(F)C1)CC(C)(C)[NH3+] ZINC000631829385 372610270 /nfs/dbraw/zinc/61/02/70/372610270.db2.gz PELDOXCMRXNBRU-VIFPVBQESA-N 2 2 220.307 2.091 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834447 372617627 /nfs/dbraw/zinc/61/76/27/372617627.db2.gz XJTUKVPYGJJBHC-OCCSQVGLSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834447 372617632 /nfs/dbraw/zinc/61/76/32/372617632.db2.gz XJTUKVPYGJJBHC-OCCSQVGLSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834326 372618119 /nfs/dbraw/zinc/61/81/19/372618119.db2.gz VBHAMWJUZCCCNC-TZMCWYRMSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834326 372618122 /nfs/dbraw/zinc/61/81/22/372618122.db2.gz VBHAMWJUZCCCNC-TZMCWYRMSA-N 2 2 233.359 2.346 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c(C)n1 ZINC000631834848 372621215 /nfs/dbraw/zinc/62/12/15/372621215.db2.gz HCFFJDIYHNJNLZ-OAHLLOKOSA-N 2 2 247.386 2.402 20 0 BEADLP Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c(C)n1 ZINC000631834848 372621220 /nfs/dbraw/zinc/62/12/20/372621220.db2.gz HCFFJDIYHNJNLZ-OAHLLOKOSA-N 2 2 247.386 2.402 20 0 BEADLP Cc1cncc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631834598 372621386 /nfs/dbraw/zinc/62/13/86/372621386.db2.gz BEYMOVSEWATVQM-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cncc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631834598 372621389 /nfs/dbraw/zinc/62/13/89/372621389.db2.gz BEYMOVSEWATVQM-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631858398 372656486 /nfs/dbraw/zinc/65/64/86/372656486.db2.gz YESZEWQYWWEUBY-CMPLNLGQSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000631858398 372656489 /nfs/dbraw/zinc/65/64/89/372656489.db2.gz YESZEWQYWWEUBY-CMPLNLGQSA-N 2 2 236.384 2.330 20 0 BEADLP C[C@H]([NH3+])c1cccc(-c2[nH+]ccn2C)c1 ZINC000069027484 373108296 /nfs/dbraw/zinc/10/82/96/373108296.db2.gz OURVLDNGXZWWKE-VIFPVBQESA-N 2 2 201.273 2.107 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671705 373588928 /nfs/dbraw/zinc/58/89/28/373588928.db2.gz YYUCZUUMEXPSCU-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671705 373588934 /nfs/dbraw/zinc/58/89/34/373588934.db2.gz YYUCZUUMEXPSCU-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC000437756492 206072890 /nfs/dbraw/zinc/07/28/90/206072890.db2.gz GZQRCSHTAMJSNY-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COc1ccc(C[N@H+](C[C@H](C)[NH3+])C2CC2)cc1 ZINC000442661392 206082006 /nfs/dbraw/zinc/08/20/06/206082006.db2.gz NJFSTJKBMQCWMR-NSHDSACASA-N 2 2 234.343 2.007 20 0 BEADLP COc1ccc(C[N@@H+](C[C@H](C)[NH3+])C2CC2)cc1 ZINC000442661392 206082011 /nfs/dbraw/zinc/08/20/11/206082011.db2.gz NJFSTJKBMQCWMR-NSHDSACASA-N 2 2 234.343 2.007 20 0 BEADLP CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000338134675 168865451 /nfs/dbraw/zinc/86/54/51/168865451.db2.gz PEHQIIHADGSGFI-UHFFFAOYSA-N 2 2 247.386 2.436 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459467538 206127677 /nfs/dbraw/zinc/12/76/77/206127677.db2.gz KOHNBKQZCNMTBD-RYUDHWBXSA-N 2 2 221.348 2.226 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459467538 206127681 /nfs/dbraw/zinc/12/76/81/206127681.db2.gz KOHNBKQZCNMTBD-RYUDHWBXSA-N 2 2 221.348 2.226 20 0 BEADLP CCCC[C@H]1CCC[C@H]1[NH2+]CC[NH+](C)C ZINC000308950181 169014266 /nfs/dbraw/zinc/01/42/66/169014266.db2.gz OVCVELWMLOOHPR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071314783 169176764 /nfs/dbraw/zinc/17/67/64/169176764.db2.gz BTURPSWHSBSTDL-AWEZNQCLSA-N 2 2 218.344 2.261 20 0 BEADLP CCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000071314783 169176766 /nfs/dbraw/zinc/17/67/66/169176766.db2.gz BTURPSWHSBSTDL-AWEZNQCLSA-N 2 2 218.344 2.261 20 0 BEADLP CCC[NH+]1CCC(N(C)c2cc(C)[nH+]cn2)CC1 ZINC000301254038 169186918 /nfs/dbraw/zinc/18/69/18/169186918.db2.gz SRALVTHMINPGNG-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP CCC[NH+]1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000049558048 169189647 /nfs/dbraw/zinc/18/96/47/169189647.db2.gz ULNCXTQLSFJRGK-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCOC3CCC3)C2)[nH]1 ZINC000376521858 183327165 /nfs/dbraw/zinc/32/71/65/183327165.db2.gz AELSZZUSJOHXTO-LBPRGKRZSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CCOC3CCC3)C2)[nH]1 ZINC000376521858 183327166 /nfs/dbraw/zinc/32/71/66/183327166.db2.gz AELSZZUSJOHXTO-LBPRGKRZSA-N 2 2 249.358 2.158 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340393121 169200284 /nfs/dbraw/zinc/20/02/84/169200284.db2.gz JGQBXUOWNHQEMQ-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340393121 169200285 /nfs/dbraw/zinc/20/02/85/169200285.db2.gz JGQBXUOWNHQEMQ-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000035054385 183348762 /nfs/dbraw/zinc/34/87/62/183348762.db2.gz IVBZYZGEBQYJGI-UHFFFAOYSA-N 2 2 236.384 2.465 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cc(C)ccc1C ZINC000161333330 169259001 /nfs/dbraw/zinc/25/90/01/169259001.db2.gz NFMVDESGCBNREB-UHFFFAOYSA-N 2 2 220.360 2.393 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000061360349 183372912 /nfs/dbraw/zinc/37/29/12/183372912.db2.gz GELWWHGAVJLJEX-PWSUYJOCSA-N 2 2 236.384 2.467 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000061360348 183373133 /nfs/dbraw/zinc/37/31/33/183373133.db2.gz GELWWHGAVJLJEX-ZYHUDNBSSA-N 2 2 236.384 2.467 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000061360350 183373726 /nfs/dbraw/zinc/37/37/26/183373726.db2.gz GELWWHGAVJLJEX-CMPLNLGQSA-N 2 2 236.384 2.467 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000123908913 183373848 /nfs/dbraw/zinc/37/38/48/183373848.db2.gz GMQDXVPINSBIDJ-CYBMUJFWSA-N 2 2 234.343 2.342 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H]2c2ccncc2)c[nH+]1 ZINC000162743707 183360512 /nfs/dbraw/zinc/36/05/12/183360512.db2.gz UOMUITMOOGSPPO-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H]2c2ccncc2)c[nH+]1 ZINC000162743707 183360514 /nfs/dbraw/zinc/36/05/14/183360514.db2.gz UOMUITMOOGSPPO-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063188480 183396552 /nfs/dbraw/zinc/39/65/52/183396552.db2.gz DTZSZIPXCASWMP-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000063188480 183396555 /nfs/dbraw/zinc/39/65/55/183396555.db2.gz DTZSZIPXCASWMP-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1nc(C[NH2+]CCCCNc2cccc[nH+]2)co1 ZINC000192305686 183415817 /nfs/dbraw/zinc/41/58/17/183415817.db2.gz CPDHKNKMDMXTNM-UHFFFAOYSA-N 2 2 246.314 2.052 20 0 BEADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000042545000 169318646 /nfs/dbraw/zinc/31/86/46/169318646.db2.gz JKPUORNWKGMVBK-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000042545000 169318647 /nfs/dbraw/zinc/31/86/47/169318647.db2.gz JKPUORNWKGMVBK-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000297877339 169365506 /nfs/dbraw/zinc/36/55/06/169365506.db2.gz QFHLKVWAWJCKBZ-LLVKDONJSA-N 2 2 209.337 2.083 20 0 BEADLP CCC[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297877339 169365507 /nfs/dbraw/zinc/36/55/07/169365507.db2.gz QFHLKVWAWJCKBZ-LLVKDONJSA-N 2 2 209.337 2.083 20 0 BEADLP C([C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCCC1 ZINC000179297131 134319698 /nfs/dbraw/zinc/31/96/98/134319698.db2.gz PJXGNUDHEZDKJO-CQSZACIVSA-N 2 2 222.376 2.489 20 0 BEADLP C([C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCC1 ZINC000179297131 134319699 /nfs/dbraw/zinc/31/96/99/134319699.db2.gz PJXGNUDHEZDKJO-CQSZACIVSA-N 2 2 222.376 2.489 20 0 BEADLP CC[N@H+](C)CC[NH2+]CCc1cccc(C)c1 ZINC000222325937 134328903 /nfs/dbraw/zinc/32/89/03/134328903.db2.gz YWJQKTIYAIYCFK-UHFFFAOYSA-N 2 2 220.360 2.079 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CCc1cccc(C)c1 ZINC000222325937 134328904 /nfs/dbraw/zinc/32/89/04/134328904.db2.gz YWJQKTIYAIYCFK-UHFFFAOYSA-N 2 2 220.360 2.079 20 0 BEADLP CC(C)CCOCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224841946 134348730 /nfs/dbraw/zinc/34/87/30/134348730.db2.gz PKLIUICBXOBXRA-UONOGXRCSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000037649097 383990834 /nfs/dbraw/zinc/99/08/34/383990834.db2.gz QIYNEAXCBTWPQI-NWDGAFQWSA-N 2 2 234.343 2.415 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649097 383990838 /nfs/dbraw/zinc/99/08/38/383990838.db2.gz QIYNEAXCBTWPQI-NWDGAFQWSA-N 2 2 234.343 2.415 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000227598376 134385762 /nfs/dbraw/zinc/38/57/62/134385762.db2.gz IZDPBEOCKZGZAX-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](F)C1 ZINC000449392089 384157258 /nfs/dbraw/zinc/15/72/58/384157258.db2.gz IVBXBNMRMROMTF-CYBMUJFWSA-N 2 2 222.307 2.366 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](F)C1 ZINC000449392089 384157260 /nfs/dbraw/zinc/15/72/60/384157260.db2.gz IVBXBNMRMROMTF-CYBMUJFWSA-N 2 2 222.307 2.366 20 0 BEADLP Cc1sccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000293972463 384159665 /nfs/dbraw/zinc/15/96/65/384159665.db2.gz DDIAUPRTSOATOR-UHFFFAOYSA-N 2 2 235.356 2.433 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)o1 ZINC000313254193 384166698 /nfs/dbraw/zinc/16/66/98/384166698.db2.gz PAWNLFGJLDXVTJ-NSHDSACASA-N 2 2 233.315 2.215 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCc3ccccc32)c[nH+]1 ZINC000041119132 384178449 /nfs/dbraw/zinc/17/84/49/384178449.db2.gz ZOYZMDWTGHVFSZ-AWEZNQCLSA-N 2 2 227.311 2.160 20 0 BEADLP c1[nH]c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000092485602 384182362 /nfs/dbraw/zinc/18/23/62/384182362.db2.gz KPPHYYXJBJVJJM-PWSUYJOCSA-N 2 2 205.305 2.174 20 0 BEADLP c1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000092485602 384182370 /nfs/dbraw/zinc/18/23/70/384182370.db2.gz KPPHYYXJBJVJJM-PWSUYJOCSA-N 2 2 205.305 2.174 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081623067 384196110 /nfs/dbraw/zinc/19/61/10/384196110.db2.gz LYEZNZHMHGQMAL-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000235439705 384230698 /nfs/dbraw/zinc/23/06/98/384230698.db2.gz DFFBOTFEEBQELA-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000235439705 384230704 /nfs/dbraw/zinc/23/07/04/384230704.db2.gz DFFBOTFEEBQELA-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313292332 384236167 /nfs/dbraw/zinc/23/61/67/384236167.db2.gz HTGPYDMELFNXKV-OLZOCXBDSA-N 2 2 235.375 2.379 20 0 BEADLP CC[C@@](C)(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)OC ZINC000319621193 384268044 /nfs/dbraw/zinc/26/80/44/384268044.db2.gz LLABFKPGRHKHPF-KBPBESRZSA-N 2 2 244.423 2.367 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[NH+](C)C ZINC000082858856 384271929 /nfs/dbraw/zinc/27/19/29/384271929.db2.gz TZLSQXWXOVWFIB-LPWJVIDDSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(C)[nH+]1 ZINC000094666073 384310404 /nfs/dbraw/zinc/31/04/04/384310404.db2.gz KLRIXTBZCAXZKX-NEPJUHHUSA-N 2 2 247.342 2.154 20 0 BEADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000083055407 384279176 /nfs/dbraw/zinc/27/91/76/384279176.db2.gz ISRFXNOCPVAUCN-PWSUYJOCSA-N 2 2 207.321 2.050 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000083055776 384279409 /nfs/dbraw/zinc/27/94/09/384279409.db2.gz OXDBKLQXAUZEOO-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000083055776 384279417 /nfs/dbraw/zinc/27/94/17/384279417.db2.gz OXDBKLQXAUZEOO-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC1(C)C ZINC000308785472 384289894 /nfs/dbraw/zinc/28/98/94/384289894.db2.gz FHTJKDRJXBFWTN-MNOVXSKESA-N 2 2 207.321 2.050 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000158794019 384294522 /nfs/dbraw/zinc/29/45/22/384294522.db2.gz ZHBBZLIKYBDNKR-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000158794019 384294530 /nfs/dbraw/zinc/29/45/30/384294530.db2.gz ZHBBZLIKYBDNKR-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cn1 ZINC000228858524 384344868 /nfs/dbraw/zinc/34/48/68/384344868.db2.gz NTCFQVBYDDXMOJ-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cn1 ZINC000228858524 384344875 /nfs/dbraw/zinc/34/48/75/384344875.db2.gz NTCFQVBYDDXMOJ-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000120412634 384351639 /nfs/dbraw/zinc/35/16/39/384351639.db2.gz FVSIBDVZHCAFPN-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000120412634 384351641 /nfs/dbraw/zinc/35/16/41/384351641.db2.gz FVSIBDVZHCAFPN-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000076001712 384352051 /nfs/dbraw/zinc/35/20/51/384352051.db2.gz YMVYTUQONIMRAV-CQSZACIVSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000076001712 384352059 /nfs/dbraw/zinc/35/20/59/384352059.db2.gz YMVYTUQONIMRAV-CQSZACIVSA-N 2 2 247.386 2.245 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000309736244 384357717 /nfs/dbraw/zinc/35/77/17/384357717.db2.gz CKOMRZAQUNXFRC-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000309736244 384357723 /nfs/dbraw/zinc/35/77/23/384357723.db2.gz CKOMRZAQUNXFRC-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cs1 ZINC000566088449 384396710 /nfs/dbraw/zinc/39/67/10/384396710.db2.gz PJSSFQPKXMWFQS-SNVBAGLBSA-N 2 2 241.404 2.490 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061361878 384413628 /nfs/dbraw/zinc/41/36/28/384413628.db2.gz DDPHCNZXQVNHPU-ONGXEEELSA-N 2 2 210.346 2.151 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000335641801 384414012 /nfs/dbraw/zinc/41/40/12/384414012.db2.gz FBOMCOGRGQHBHH-CMPLNLGQSA-N 2 2 224.373 2.287 20 0 BEADLP CC1(C[N@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC000647512972 384414882 /nfs/dbraw/zinc/41/48/82/384414882.db2.gz ZOXWUILYAYBJCL-UHFFFAOYSA-N 2 2 218.344 2.247 20 0 BEADLP CC1(C[N@@H+](CC[NH3+])Cc2ccccc2)CC1 ZINC000647512972 384414885 /nfs/dbraw/zinc/41/48/85/384414885.db2.gz ZOXWUILYAYBJCL-UHFFFAOYSA-N 2 2 218.344 2.247 20 0 BEADLP c1csc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000169035232 384389080 /nfs/dbraw/zinc/38/90/80/384389080.db2.gz BLXIZSJAUOECEF-MNOVXSKESA-N 2 2 222.357 2.074 20 0 BEADLP c1csc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000169035232 384389089 /nfs/dbraw/zinc/38/90/89/384389089.db2.gz BLXIZSJAUOECEF-MNOVXSKESA-N 2 2 222.357 2.074 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309897673 384468680 /nfs/dbraw/zinc/46/86/80/384468680.db2.gz GMSBMPOOTCOAAU-SCRDCRAPSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309897673 384468685 /nfs/dbraw/zinc/46/86/85/384468685.db2.gz GMSBMPOOTCOAAU-SCRDCRAPSA-N 2 2 218.344 2.287 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000335034039 384506814 /nfs/dbraw/zinc/50/68/14/384506814.db2.gz UCJGVETWHRYTFA-JSGCOSHPSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccccc1Br ZINC000037712397 384509928 /nfs/dbraw/zinc/50/99/28/384509928.db2.gz FOMWNEKRYIKHDB-MRVPVSSYSA-N 2 2 243.148 2.058 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1cccc(Br)c1 ZINC000037712344 384511047 /nfs/dbraw/zinc/51/10/47/384511047.db2.gz BVQYVPRIWXAPAT-MRVPVSSYSA-N 2 2 243.148 2.058 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000037241325 384489986 /nfs/dbraw/zinc/48/99/86/384489986.db2.gz ZACBMGYUOSEBLQ-YPMHNXCESA-N 2 2 204.317 2.041 20 0 BEADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000037241325 384489988 /nfs/dbraw/zinc/48/99/88/384489988.db2.gz ZACBMGYUOSEBLQ-YPMHNXCESA-N 2 2 204.317 2.041 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335072578 384522681 /nfs/dbraw/zinc/52/26/81/384522681.db2.gz FXZKOBOQUHWUGQ-GXTWGEPZSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[NH+](C)C ZINC000647179739 384531377 /nfs/dbraw/zinc/53/13/77/384531377.db2.gz MWPLNXRALGDDFE-VIFPVBQESA-N 2 2 220.307 2.104 20 0 BEADLP CC(C)C(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000517889249 384555302 /nfs/dbraw/zinc/55/53/02/384555302.db2.gz FMSVHZDGRPSWOY-UHFFFAOYSA-N 2 2 238.379 2.010 20 0 BEADLP CCC[N@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000305966321 384558230 /nfs/dbraw/zinc/55/82/30/384558230.db2.gz JGSTUJHMYHSDQH-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP CCC[N@@H+](C[C@H]1CCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000305966321 384558238 /nfs/dbraw/zinc/55/82/38/384558238.db2.gz JGSTUJHMYHSDQH-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP CCC[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000305966319 384559061 /nfs/dbraw/zinc/55/90/61/384559061.db2.gz JGSTUJHMYHSDQH-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CCC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC000305966319 384559067 /nfs/dbraw/zinc/55/90/67/384559067.db2.gz JGSTUJHMYHSDQH-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1F ZINC000019958552 384561867 /nfs/dbraw/zinc/56/18/67/384561867.db2.gz YWZSSQCWXSJJLN-LLVKDONJSA-N 2 2 224.323 2.428 20 0 BEADLP C[N@H+](C/C=C/Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600324 384590399 /nfs/dbraw/zinc/59/03/99/384590399.db2.gz BPRLMAPMIYBMCK-VDAPENQMSA-N 2 2 228.767 2.296 20 0 BEADLP C[N@@H+](C/C=C/Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600324 384590408 /nfs/dbraw/zinc/59/04/08/384590408.db2.gz BPRLMAPMIYBMCK-VDAPENQMSA-N 2 2 228.767 2.296 20 0 BEADLP C[NH+](C/C=C/Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367600324 384590413 /nfs/dbraw/zinc/59/04/13/384590413.db2.gz BPRLMAPMIYBMCK-VDAPENQMSA-N 2 2 228.767 2.296 20 0 BEADLP C[NH+](C/C=C/Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367600324 384590416 /nfs/dbraw/zinc/59/04/16/384590416.db2.gz BPRLMAPMIYBMCK-VDAPENQMSA-N 2 2 228.767 2.296 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2Cc3ccccc3C2)CCC1 ZINC000097928392 384577114 /nfs/dbraw/zinc/57/71/14/384577114.db2.gz MBSIZORAUYHWAX-UHFFFAOYSA-N 2 2 244.382 2.228 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066099 384580186 /nfs/dbraw/zinc/58/01/86/384580186.db2.gz KEOAVPXVJWNTDZ-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066099 384580189 /nfs/dbraw/zinc/58/01/89/384580189.db2.gz KEOAVPXVJWNTDZ-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067887 384581969 /nfs/dbraw/zinc/58/19/69/384581969.db2.gz ABOJNJTXRPWHMT-YUELXQCFSA-N 2 2 230.355 2.431 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067887 384581973 /nfs/dbraw/zinc/58/19/73/384581973.db2.gz ABOJNJTXRPWHMT-YUELXQCFSA-N 2 2 230.355 2.431 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000334846545 384583831 /nfs/dbraw/zinc/58/38/31/384583831.db2.gz CEMXPJDHFWNNHP-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068809 384584722 /nfs/dbraw/zinc/58/47/22/384584722.db2.gz LMSALGDCYCXNDJ-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068809 384584725 /nfs/dbraw/zinc/58/47/25/384584725.db2.gz LMSALGDCYCXNDJ-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041064008 384603090 /nfs/dbraw/zinc/60/30/90/384603090.db2.gz XJUHSUWXBBIWQM-LBPRGKRZSA-N 2 2 245.326 2.243 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)o1 ZINC000309804896 384632975 /nfs/dbraw/zinc/63/29/75/384632975.db2.gz XHTOCEKEYDYEEV-ZYHUDNBSSA-N 2 2 224.348 2.436 20 0 BEADLP c1cn(CC[N@@H+]2CCc3sccc3C2)c[nH+]1 ZINC000162726876 384674927 /nfs/dbraw/zinc/67/49/27/384674927.db2.gz GFQJKWDIBSQMKL-UHFFFAOYSA-N 2 2 233.340 2.003 20 0 BEADLP c1cn(CC[N@H+]2CCc3sccc3C2)c[nH+]1 ZINC000162726876 384674934 /nfs/dbraw/zinc/67/49/34/384674934.db2.gz GFQJKWDIBSQMKL-UHFFFAOYSA-N 2 2 233.340 2.003 20 0 BEADLP CC(C)(C)CC[NH2+]CC[N@H+]1CC=CCC1 ZINC000336748340 384660383 /nfs/dbraw/zinc/66/03/83/384660383.db2.gz DHVFZUJLLREEJK-UHFFFAOYSA-N 2 2 210.365 2.274 20 0 BEADLP CC(C)(C)CC[NH2+]CC[N@@H+]1CC=CCC1 ZINC000336748340 384660389 /nfs/dbraw/zinc/66/03/89/384660389.db2.gz DHVFZUJLLREEJK-UHFFFAOYSA-N 2 2 210.365 2.274 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000335358484 384692539 /nfs/dbraw/zinc/69/25/39/384692539.db2.gz RYIMZEHQRKLQTP-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP CC1(C)CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000086845906 384708037 /nfs/dbraw/zinc/70/80/37/384708037.db2.gz BYKNFTNOJUFRGG-NSHDSACASA-N 2 2 207.321 2.468 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000053201752 384772947 /nfs/dbraw/zinc/77/29/47/384772947.db2.gz WRZVVJFXULXYFU-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000053201752 384772957 /nfs/dbraw/zinc/77/29/57/384772957.db2.gz WRZVVJFXULXYFU-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423224568 384776567 /nfs/dbraw/zinc/77/65/67/384776567.db2.gz JJFROEYNQJJUJK-NSHDSACASA-N 2 2 240.347 2.172 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423238913 384778835 /nfs/dbraw/zinc/77/88/35/384778835.db2.gz FUIMAZHCEDSYAZ-ZDUSSCGKSA-N 2 2 222.307 2.012 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000054110213 384821154 /nfs/dbraw/zinc/82/11/54/384821154.db2.gz WECDZRYQLYVCSQ-LBPRGKRZSA-N 2 2 224.348 2.142 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000054110213 384821159 /nfs/dbraw/zinc/82/11/59/384821159.db2.gz WECDZRYQLYVCSQ-LBPRGKRZSA-N 2 2 224.348 2.142 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nc1C ZINC000314150496 384832696 /nfs/dbraw/zinc/83/26/96/384832696.db2.gz KSOJBPBDTBWESB-TZMCWYRMSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1C ZINC000314150496 384832700 /nfs/dbraw/zinc/83/27/00/384832700.db2.gz KSOJBPBDTBWESB-TZMCWYRMSA-N 2 2 247.386 2.271 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000310020278 384785705 /nfs/dbraw/zinc/78/57/05/384785705.db2.gz MYDJIIALCHDKRS-QWRGUYRKSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000310020278 384785709 /nfs/dbraw/zinc/78/57/09/384785709.db2.gz MYDJIIALCHDKRS-QWRGUYRKSA-N 2 2 221.348 2.291 20 0 BEADLP Cc1ncc(C[NH2+]CCC[N@@H+](C)C(C)C)s1 ZINC000163633751 384836065 /nfs/dbraw/zinc/83/60/65/384836065.db2.gz WJXOGYRSPHFJPA-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP Cc1ncc(C[NH2+]CCC[N@H+](C)C(C)C)s1 ZINC000163633751 384836068 /nfs/dbraw/zinc/83/60/68/384836068.db2.gz WJXOGYRSPHFJPA-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CCCCC1)[NH+](C)C ZINC000038087655 384789803 /nfs/dbraw/zinc/78/98/03/384789803.db2.gz YKLBZTJCVJQZRN-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000126775745 384803939 /nfs/dbraw/zinc/80/39/39/384803939.db2.gz PHYLRENOPDLMRS-VXGBXAGGSA-N 2 2 209.337 2.155 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000310041308 384808420 /nfs/dbraw/zinc/80/84/20/384808420.db2.gz YMFXFPJUGDICHE-QWRGUYRKSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000310041308 384808427 /nfs/dbraw/zinc/80/84/27/384808427.db2.gz YMFXFPJUGDICHE-QWRGUYRKSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403584878 384841163 /nfs/dbraw/zinc/84/11/63/384841163.db2.gz BSCPGFSXTAGKMA-SYQHCUMBSA-N 2 2 233.359 2.297 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403668464 384852664 /nfs/dbraw/zinc/85/26/64/384852664.db2.gz NFMLDSUDUZTRFU-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403769092 384856995 /nfs/dbraw/zinc/85/69/95/384856995.db2.gz TZPRAFDTTMNOBS-HZSPNIEDSA-N 2 2 222.376 2.108 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@H]1C ZINC000245388201 384906259 /nfs/dbraw/zinc/90/62/59/384906259.db2.gz CAGJPCCRFKAEFN-SCVCMEIPSA-N 2 2 207.321 2.324 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccoc1 ZINC000087289678 384932305 /nfs/dbraw/zinc/93/23/05/384932305.db2.gz YHKBCOKJJKXHMB-NSHDSACASA-N 2 2 219.288 2.217 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000258883351 384942486 /nfs/dbraw/zinc/94/24/86/384942486.db2.gz KQHPHZWFUXMNJD-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335300957 384948726 /nfs/dbraw/zinc/94/87/26/384948726.db2.gz RHLIVHBXZGNAMH-CABCVRRESA-N 2 2 230.355 2.097 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000335300957 384948736 /nfs/dbraw/zinc/94/87/36/384948736.db2.gz RHLIVHBXZGNAMH-CABCVRRESA-N 2 2 230.355 2.097 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000128078951 384990232 /nfs/dbraw/zinc/99/02/32/384990232.db2.gz YYPIHERSMSZZBQ-GXTWGEPZSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000128078951 384990236 /nfs/dbraw/zinc/99/02/36/384990236.db2.gz YYPIHERSMSZZBQ-GXTWGEPZSA-N 2 2 231.343 2.429 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1cc(C)ns1 ZINC000404455471 385000238 /nfs/dbraw/zinc/00/02/38/385000238.db2.gz PARSVLZONNDUKI-UHFFFAOYSA-N 2 2 241.404 2.273 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000043327586 385002687 /nfs/dbraw/zinc/00/26/87/385002687.db2.gz ZFRAJAXWPLGORY-GHMZBOCLSA-N 2 2 224.373 2.459 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000222590524 384962608 /nfs/dbraw/zinc/96/26/08/384962608.db2.gz BYDCILIPQINVBB-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000222590524 384962614 /nfs/dbraw/zinc/96/26/14/384962614.db2.gz BYDCILIPQINVBB-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1Cl ZINC000086833118 385052656 /nfs/dbraw/zinc/05/26/56/385052656.db2.gz IZRHXGMIGQMYNK-VIFPVBQESA-N 2 2 236.706 2.432 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157074275 385063341 /nfs/dbraw/zinc/06/33/41/385063341.db2.gz SAZGSUZVQJRIJL-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157074275 385063345 /nfs/dbraw/zinc/06/33/45/385063345.db2.gz SAZGSUZVQJRIJL-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000177204799 385199197 /nfs/dbraw/zinc/19/91/97/385199197.db2.gz DDVDUBFWNOBCLJ-NSHDSACASA-N 2 2 229.327 2.265 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccnc1 ZINC000359282603 385154046 /nfs/dbraw/zinc/15/40/46/385154046.db2.gz XNLOIAYCAZGACJ-OAHLLOKOSA-N 2 2 247.386 2.464 20 0 BEADLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)c(F)c1 ZINC000631155160 385158407 /nfs/dbraw/zinc/15/84/07/385158407.db2.gz AXLJQWKRBLUYOJ-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCC1 ZINC000178042416 385174587 /nfs/dbraw/zinc/17/45/87/385174587.db2.gz GATNFEAFHJKWIO-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCC1 ZINC000178042429 385175791 /nfs/dbraw/zinc/17/57/91/385175791.db2.gz GATNFEAFHJKWIO-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000647481364 385177349 /nfs/dbraw/zinc/17/73/49/385177349.db2.gz TUTXYIMJKGKMTH-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000647481364 385177355 /nfs/dbraw/zinc/17/73/55/385177355.db2.gz TUTXYIMJKGKMTH-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+](C)C ZINC000308860011 385222603 /nfs/dbraw/zinc/22/26/03/385222603.db2.gz RCRBOPIFACWVOL-WXHSDQCUSA-N 2 2 210.365 2.105 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000050227787 385312942 /nfs/dbraw/zinc/31/29/42/385312942.db2.gz AYSAWSQFBJHOIJ-CQSZACIVSA-N 2 2 226.323 2.373 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000050227787 385312944 /nfs/dbraw/zinc/31/29/44/385312944.db2.gz AYSAWSQFBJHOIJ-CQSZACIVSA-N 2 2 226.323 2.373 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400801477 533111178 /nfs/dbraw/zinc/11/11/78/533111178.db2.gz USUYENNMOZACLD-TYNCELHUSA-N 2 2 248.370 2.486 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)C1CCC1)C1CC1 ZINC000178442053 385261922 /nfs/dbraw/zinc/26/19/22/385261922.db2.gz CDSMOVKXZNYDGP-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CCC1)C1CC1 ZINC000178442053 385261927 /nfs/dbraw/zinc/26/19/27/385261927.db2.gz CDSMOVKXZNYDGP-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CCc1ccccc1)CCn1cc[nH+]c1 ZINC000130686927 385276365 /nfs/dbraw/zinc/27/63/65/385276365.db2.gz YSUFIGQMCFTSMB-UHFFFAOYSA-N 2 2 243.354 2.448 20 0 BEADLP CC[N@H+](CCc1ccccc1)CCn1cc[nH+]c1 ZINC000130686927 385276373 /nfs/dbraw/zinc/27/63/73/385276373.db2.gz YSUFIGQMCFTSMB-UHFFFAOYSA-N 2 2 243.354 2.448 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000309063954 385390690 /nfs/dbraw/zinc/39/06/90/385390690.db2.gz YHMUYFOTFLZKCL-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC2(C)C)CCC1 ZINC000309043707 385387216 /nfs/dbraw/zinc/38/72/16/385387216.db2.gz LOQKJCABCAETDR-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1C[C@H]1C ZINC000309097229 385407598 /nfs/dbraw/zinc/40/75/98/385407598.db2.gz DHPMSAFADXDXDP-MFKMUULPSA-N 2 2 204.317 2.178 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1CC ZINC000309164901 385444692 /nfs/dbraw/zinc/44/46/92/385444692.db2.gz IOAFDAYTILQBOY-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1CC ZINC000309164901 385444695 /nfs/dbraw/zinc/44/46/95/385444695.db2.gz IOAFDAYTILQBOY-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000336767525 385455019 /nfs/dbraw/zinc/45/50/19/385455019.db2.gz SQSHEGDPEHLMJH-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000336767525 385455023 /nfs/dbraw/zinc/45/50/23/385455023.db2.gz SQSHEGDPEHLMJH-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)(C)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000309364964 385551370 /nfs/dbraw/zinc/55/13/70/385551370.db2.gz PJUJATXWCSZUAT-NSHDSACASA-N 2 2 221.348 2.224 20 0 BEADLP CCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181078469 385562872 /nfs/dbraw/zinc/56/28/72/385562872.db2.gz PIHHJTVHHVPTRN-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP CCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181078469 385562873 /nfs/dbraw/zinc/56/28/73/385562873.db2.gz PIHHJTVHHVPTRN-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP CC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181118572 385564151 /nfs/dbraw/zinc/56/41/51/385564151.db2.gz DMPFIRUWHXDEOT-LLVKDONJSA-N 2 2 207.321 2.319 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1C=CCCC1 ZINC000181112866 385564263 /nfs/dbraw/zinc/56/42/63/385564263.db2.gz VWXKHMBPJLFSNQ-ZDUSSCGKSA-N 2 2 219.332 2.314 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1C=CCCC1 ZINC000181112866 385564266 /nfs/dbraw/zinc/56/42/66/385564266.db2.gz VWXKHMBPJLFSNQ-ZDUSSCGKSA-N 2 2 219.332 2.314 20 0 BEADLP COc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1C ZINC000181233653 385567867 /nfs/dbraw/zinc/56/78/67/385567867.db2.gz NNRHHJKLZDUQRM-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)CS1 ZINC000309401535 385571045 /nfs/dbraw/zinc/57/10/45/385571045.db2.gz WIFIMEIVRBAHDV-CHWSQXEVSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CS1 ZINC000309401535 385571048 /nfs/dbraw/zinc/57/10/48/385571048.db2.gz WIFIMEIVRBAHDV-CHWSQXEVSA-N 2 2 244.448 2.446 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000309430874 385579852 /nfs/dbraw/zinc/57/98/52/385579852.db2.gz MKGJKAPVFSTOTG-LBPRGKRZSA-N 2 2 236.384 2.383 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000309430874 385579853 /nfs/dbraw/zinc/57/98/53/385579853.db2.gz MKGJKAPVFSTOTG-LBPRGKRZSA-N 2 2 236.384 2.383 20 0 BEADLP CCSCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000309428950 385581954 /nfs/dbraw/zinc/58/19/54/385581954.db2.gz FTGXJUYBRFTUKK-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000309428950 385581956 /nfs/dbraw/zinc/58/19/56/385581956.db2.gz FTGXJUYBRFTUKK-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP Cc1ccc(CCC[NH2+][C@]2(C)CCOC2)c[nH+]1 ZINC000354589474 385586206 /nfs/dbraw/zinc/58/62/06/385586206.db2.gz YVIIKYMYJPRGJT-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000269635706 385615320 /nfs/dbraw/zinc/61/53/20/385615320.db2.gz QVHAVHQESPLNDZ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000269635706 385615322 /nfs/dbraw/zinc/61/53/22/385615322.db2.gz QVHAVHQESPLNDZ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000269635706 385615326 /nfs/dbraw/zinc/61/53/26/385615326.db2.gz QVHAVHQESPLNDZ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000269635706 385615327 /nfs/dbraw/zinc/61/53/27/385615327.db2.gz QVHAVHQESPLNDZ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC000337344948 385612807 /nfs/dbraw/zinc/61/28/07/385612807.db2.gz ZQDRJPTTYAILDI-UHFFFAOYSA-N 2 2 224.323 2.209 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000337344948 385612814 /nfs/dbraw/zinc/61/28/14/385612814.db2.gz ZQDRJPTTYAILDI-UHFFFAOYSA-N 2 2 224.323 2.209 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414850437 385638023 /nfs/dbraw/zinc/63/80/23/385638023.db2.gz SFDOQXLCSSNDPA-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP [NH3+]CC1(CNc2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000414851203 385649271 /nfs/dbraw/zinc/64/92/71/385649271.db2.gz NRSOJJDAOMNBHN-UHFFFAOYSA-N 2 2 231.343 2.196 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000309516993 385649289 /nfs/dbraw/zinc/64/92/89/385649289.db2.gz YYGPHZZCURONOY-GMXVVIOVSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000309516993 385649294 /nfs/dbraw/zinc/64/92/94/385649294.db2.gz YYGPHZZCURONOY-GMXVVIOVSA-N 2 2 222.376 2.247 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597174908 385665658 /nfs/dbraw/zinc/66/56/58/385665658.db2.gz ZJYBVVGSOMVHSW-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000597174908 385665662 /nfs/dbraw/zinc/66/56/62/385665662.db2.gz ZJYBVVGSOMVHSW-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000309544251 385679011 /nfs/dbraw/zinc/67/90/11/385679011.db2.gz GMSBMPOOTCOAAU-DYEKYZERSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000309544251 385679017 /nfs/dbraw/zinc/67/90/17/385679017.db2.gz GMSBMPOOTCOAAU-DYEKYZERSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309544254 385679536 /nfs/dbraw/zinc/67/95/36/385679536.db2.gz GMSBMPOOTCOAAU-OBJOEFQTSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000309544254 385679539 /nfs/dbraw/zinc/67/95/39/385679539.db2.gz GMSBMPOOTCOAAU-OBJOEFQTSA-N 2 2 218.344 2.287 20 0 BEADLP c1cn(CCC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000182615426 385688010 /nfs/dbraw/zinc/68/80/10/385688010.db2.gz NZMRLIIGFBLWSG-UHFFFAOYSA-N 2 2 241.338 2.332 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(C)CC1 ZINC000309586655 385710549 /nfs/dbraw/zinc/71/05/49/385710549.db2.gz RYQMOYGQDHXDLJ-NXEZZACHSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1(C)CC1 ZINC000309586655 385710554 /nfs/dbraw/zinc/71/05/54/385710554.db2.gz RYQMOYGQDHXDLJ-NXEZZACHSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253192290 385669960 /nfs/dbraw/zinc/66/99/60/385669960.db2.gz MYVGZZOLTHUVBG-STQMWFEESA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253192290 385669967 /nfs/dbraw/zinc/66/99/67/385669967.db2.gz MYVGZZOLTHUVBG-STQMWFEESA-N 2 2 234.343 2.304 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CC[NH+]1CCCC1 ZINC000186210599 385747097 /nfs/dbraw/zinc/74/70/97/385747097.db2.gz QCAHJZXOSVVPOT-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414863798 385762298 /nfs/dbraw/zinc/76/22/98/385762298.db2.gz JBTNIXCXPHXTBI-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000414555906 385762647 /nfs/dbraw/zinc/76/26/47/385762647.db2.gz UWPNHKGRAWEYQB-CPCZMJQVSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000414555906 385762656 /nfs/dbraw/zinc/76/26/56/385762656.db2.gz UWPNHKGRAWEYQB-CPCZMJQVSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000414863278 385764998 /nfs/dbraw/zinc/76/49/98/385764998.db2.gz IFZLBBYLDFRZKI-GFCCVEGCSA-N 2 2 238.762 2.490 20 0 BEADLP CCSCC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000309658322 385778318 /nfs/dbraw/zinc/77/83/18/385778318.db2.gz QOZALDMDYUYCKP-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccs1 ZINC000183635580 385782810 /nfs/dbraw/zinc/78/28/10/385782810.db2.gz HHZPWUWGQBPDJY-UHFFFAOYSA-N 2 2 235.356 2.467 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000414868197 385814556 /nfs/dbraw/zinc/81/45/56/385814556.db2.gz JQFQYAIUFKNNDZ-LBPRGKRZSA-N 2 2 238.350 2.346 20 0 BEADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH+](C)C ZINC000231788412 385820604 /nfs/dbraw/zinc/82/06/04/385820604.db2.gz HOZYJBFZEFXWHZ-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647803353 385837129 /nfs/dbraw/zinc/83/71/29/385837129.db2.gz YDHHKRAGVMMRDZ-SNVBAGLBSA-N 2 2 244.342 2.028 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@H+](C)C1CC1 ZINC000336719812 385859066 /nfs/dbraw/zinc/85/90/66/385859066.db2.gz ZFZLIZDDWZXIMH-BLFANLJRSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC000336719812 385859068 /nfs/dbraw/zinc/85/90/68/385859068.db2.gz ZFZLIZDDWZXIMH-BLFANLJRSA-N 2 2 210.365 2.103 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCCC1 ZINC000309687324 385789759 /nfs/dbraw/zinc/78/97/59/385789759.db2.gz HTMSOPXKLYEQCJ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000309687324 385789762 /nfs/dbraw/zinc/78/97/62/385789762.db2.gz HTMSOPXKLYEQCJ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000414960560 385887950 /nfs/dbraw/zinc/88/79/50/385887950.db2.gz RAPPORBVOMTESC-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000397766806 385902112 /nfs/dbraw/zinc/90/21/12/385902112.db2.gz KCJHRBBKLZNOOL-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)c1ncc(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000414875888 385905377 /nfs/dbraw/zinc/90/53/77/385905377.db2.gz CNCDMJLPIFGPFB-UHFFFAOYSA-N 2 2 239.388 2.238 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336721400 385910977 /nfs/dbraw/zinc/91/09/77/385910977.db2.gz DJULHDAOZMMGKZ-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336721400 385910983 /nfs/dbraw/zinc/91/09/83/385910983.db2.gz DJULHDAOZMMGKZ-FVCCEPFGSA-N 2 2 210.365 2.105 20 0 BEADLP CS[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000294914691 385914652 /nfs/dbraw/zinc/91/46/52/385914652.db2.gz AKVSRSHOFCOYDO-LBPRGKRZSA-N 2 2 247.367 2.272 20 0 BEADLP CS[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000294914691 385914657 /nfs/dbraw/zinc/91/46/57/385914657.db2.gz AKVSRSHOFCOYDO-LBPRGKRZSA-N 2 2 247.367 2.272 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335033492 385920660 /nfs/dbraw/zinc/92/06/60/385920660.db2.gz PZVQQJRPCYKCTF-IUODEOHRSA-N 2 2 230.355 2.324 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000336767528 385920641 /nfs/dbraw/zinc/92/06/41/385920641.db2.gz SQSHEGDPEHLMJH-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000336767528 385920646 /nfs/dbraw/zinc/92/06/46/385920646.db2.gz SQSHEGDPEHLMJH-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335033427 385920842 /nfs/dbraw/zinc/92/08/42/385920842.db2.gz PQRBYQSSOWNRHL-YGRLFVJLSA-N 2 2 234.318 2.155 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414958805 385863322 /nfs/dbraw/zinc/86/33/22/385863322.db2.gz SMCMXQYAVPDWHU-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP CSCCCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336741380 385863705 /nfs/dbraw/zinc/86/37/05/385863705.db2.gz VOPBPMDFDMAPNW-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CSCCCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336741380 385863709 /nfs/dbraw/zinc/86/37/09/385863709.db2.gz VOPBPMDFDMAPNW-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000337993792 385871638 /nfs/dbraw/zinc/87/16/38/385871638.db2.gz TXMHMBHGCQFRBH-KBPBESRZSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337999539 385873660 /nfs/dbraw/zinc/87/36/60/385873660.db2.gz PJJHWQHHGWMCQD-MRVWCRGKSA-N 2 2 233.359 2.440 20 0 BEADLP FC(F)(F)CCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000647940511 385878205 /nfs/dbraw/zinc/87/82/05/385878205.db2.gz BVMIPDGDDYEZHL-UHFFFAOYSA-N 2 2 247.264 2.431 20 0 BEADLP FC(F)(F)CCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000647940511 385878208 /nfs/dbraw/zinc/87/82/08/385878208.db2.gz BVMIPDGDDYEZHL-UHFFFAOYSA-N 2 2 247.264 2.431 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)c1 ZINC000414131036 385978287 /nfs/dbraw/zinc/97/82/87/385978287.db2.gz YOMRTJRWDVSVPA-OLZOCXBDSA-N 2 2 235.375 2.377 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)c1 ZINC000414131035 385978993 /nfs/dbraw/zinc/97/89/93/385978993.db2.gz YOMRTJRWDVSVPA-CHWSQXEVSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000221153533 385979838 /nfs/dbraw/zinc/97/98/38/385979838.db2.gz BJWDXUONEQPGCF-HIFRSBDPSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000221153533 385979843 /nfs/dbraw/zinc/97/98/43/385979843.db2.gz BJWDXUONEQPGCF-HIFRSBDPSA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@@H](CO)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000295189098 385987251 /nfs/dbraw/zinc/98/72/51/385987251.db2.gz XAYFMVAMNOZTEO-AWEZNQCLSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@@H](CO)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000295189098 385987254 /nfs/dbraw/zinc/98/72/54/385987254.db2.gz XAYFMVAMNOZTEO-AWEZNQCLSA-N 2 2 236.359 2.025 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000414967587 385930434 /nfs/dbraw/zinc/93/04/34/385930434.db2.gz XTOKGBGQOMRXOQ-LLVKDONJSA-N 2 2 224.323 2.222 20 0 BEADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000335039050 385930913 /nfs/dbraw/zinc/93/09/13/385930913.db2.gz LLXYEQNNFKRSOX-STQMWFEESA-N 2 2 218.344 2.316 20 0 BEADLP Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000335039047 385931729 /nfs/dbraw/zinc/93/17/29/385931729.db2.gz LLXYEQNNFKRSOX-CHWSQXEVSA-N 2 2 218.344 2.316 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC000414968202 385936485 /nfs/dbraw/zinc/93/64/85/385936485.db2.gz YDUHJMAOUVZNRX-LLVKDONJSA-N 2 2 224.323 2.222 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000414062960 385938768 /nfs/dbraw/zinc/93/87/68/385938768.db2.gz DIGUTQRBNADPFO-SYQHCUMBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000414062960 385938772 /nfs/dbraw/zinc/93/87/72/385938772.db2.gz DIGUTQRBNADPFO-SYQHCUMBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@H]1C ZINC000414062954 385938945 /nfs/dbraw/zinc/93/89/45/385938945.db2.gz DIGUTQRBNADPFO-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@H]1C ZINC000414062954 385938953 /nfs/dbraw/zinc/93/89/53/385938953.db2.gz DIGUTQRBNADPFO-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1F ZINC000342145259 385944417 /nfs/dbraw/zinc/94/44/17/385944417.db2.gz SELVOGPJINJUFO-SECBINFHSA-N 2 2 240.297 2.497 20 0 BEADLP Cc1ccc(N[C@@H]2CCCCC[C@H]2[NH3+])c[nH+]1 ZINC000335049151 385947256 /nfs/dbraw/zinc/94/72/56/385947256.db2.gz JNEVMNJKXXULMC-CHWSQXEVSA-N 2 2 219.332 2.462 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335053644 385951147 /nfs/dbraw/zinc/95/11/47/385951147.db2.gz JVKUPRKVQWAUTD-YGRLFVJLSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1ccc(N[C@H]2CC[NH2+]CC[C@@H]2C)c[nH+]1 ZINC000335052885 385951336 /nfs/dbraw/zinc/95/13/36/385951336.db2.gz VHEHGRHHSWAXLT-GWCFXTLKSA-N 2 2 219.332 2.190 20 0 BEADLP Cc1ccc(N[C@@H]2CC[NH2+]CC[C@H]2C)c[nH+]1 ZINC000335052888 385951707 /nfs/dbraw/zinc/95/17/07/385951707.db2.gz VHEHGRHHSWAXLT-ZWNOBZJWSA-N 2 2 219.332 2.190 20 0 BEADLP Cc1ccc(N[C@H]2CC[NH2+]CC[C@H]2C)c[nH+]1 ZINC000335052887 385952395 /nfs/dbraw/zinc/95/23/95/385952395.db2.gz VHEHGRHHSWAXLT-MFKMUULPSA-N 2 2 219.332 2.190 20 0 BEADLP CC(C)COc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414879732 385957216 /nfs/dbraw/zinc/95/72/16/385957216.db2.gz JAKGIGGJRYIHEN-AWEZNQCLSA-N 2 2 248.370 2.173 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)[NH+](C)C ZINC000336747009 385964824 /nfs/dbraw/zinc/96/48/24/385964824.db2.gz CDDRDCRYQMLYSW-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@H]1C[C@H]1C ZINC000414108246 385969000 /nfs/dbraw/zinc/96/90/00/385969000.db2.gz JYABQIRUSWAWDP-MROQNXINSA-N 2 2 242.432 2.058 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000285842213 385969315 /nfs/dbraw/zinc/96/93/15/385969315.db2.gz XLRSUHOKZSKXHJ-LBPRGKRZSA-N 2 2 233.359 2.135 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000336747194 385969515 /nfs/dbraw/zinc/96/95/15/385969515.db2.gz CDTXPPJKPPBZSU-TUAOUCFPSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000336747194 385969520 /nfs/dbraw/zinc/96/95/20/385969520.db2.gz CDTXPPJKPPBZSU-TUAOUCFPSA-N 2 2 210.365 2.105 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000338345833 385973762 /nfs/dbraw/zinc/97/37/62/385973762.db2.gz BGTPUVVHNUNZJE-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000338345833 385973765 /nfs/dbraw/zinc/97/37/65/385973765.db2.gz BGTPUVVHNUNZJE-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCC1 ZINC000336770091 386000555 /nfs/dbraw/zinc/00/05/55/386000555.db2.gz WESPQTHQRKBWFH-QWRGUYRKSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1C[C@@H]1C ZINC000414114486 386009157 /nfs/dbraw/zinc/00/91/57/386009157.db2.gz OQPYTCJTYAFXIF-AXMVNOCNSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1C[C@@H]1C ZINC000414114486 386009161 /nfs/dbraw/zinc/00/91/61/386009161.db2.gz OQPYTCJTYAFXIF-AXMVNOCNSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121552 386014040 /nfs/dbraw/zinc/01/40/40/386014040.db2.gz ZSRXJHHQBFOHRM-DIACKHNESA-N 2 2 222.376 2.246 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121552 386014044 /nfs/dbraw/zinc/01/40/44/386014044.db2.gz ZSRXJHHQBFOHRM-DIACKHNESA-N 2 2 222.376 2.246 20 0 BEADLP Cc1cc[nH+]c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000286304840 386019606 /nfs/dbraw/zinc/01/96/06/386019606.db2.gz JSKBGOYHOZZATQ-UONOGXRCSA-N 2 2 245.370 2.453 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336752974 386021170 /nfs/dbraw/zinc/02/11/70/386021170.db2.gz GREQMZAVZTVXCA-GFCCVEGCSA-N 2 2 230.421 2.061 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336752974 386021178 /nfs/dbraw/zinc/02/11/78/386021178.db2.gz GREQMZAVZTVXCA-GFCCVEGCSA-N 2 2 230.421 2.061 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000189533909 386021476 /nfs/dbraw/zinc/02/14/76/386021476.db2.gz XRTMGWYDVQNHRF-LKSINWNRSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000189533909 386021483 /nfs/dbraw/zinc/02/14/83/386021483.db2.gz XRTMGWYDVQNHRF-LKSINWNRSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000335061591 386026599 /nfs/dbraw/zinc/02/65/99/386026599.db2.gz MDCCZXLDDGXDDQ-TZMCWYRMSA-N 2 2 218.344 2.479 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335062500 386030591 /nfs/dbraw/zinc/03/05/91/386030591.db2.gz QLEYDUJFWFWPLL-HIFRSBDPSA-N 2 2 230.355 2.406 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1CC1(C)C ZINC000414163384 386048922 /nfs/dbraw/zinc/04/89/22/386048922.db2.gz NCMFDKVBQGKNBY-QJPTWQEYSA-N 2 2 212.381 2.351 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCC1 ZINC000414884760 386050366 /nfs/dbraw/zinc/05/03/66/386050366.db2.gz WEBJRAMGVYWUOG-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414149671 385996746 /nfs/dbraw/zinc/99/67/46/385996746.db2.gz XQULFJWVZVGGFN-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414149671 385996752 /nfs/dbraw/zinc/99/67/52/385996752.db2.gz XQULFJWVZVGGFN-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205598 386059200 /nfs/dbraw/zinc/05/92/00/386059200.db2.gz IWAJLQOTMUQCDD-NKQKNBIVSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205598 386059201 /nfs/dbraw/zinc/05/92/01/386059201.db2.gz IWAJLQOTMUQCDD-NKQKNBIVSA-N 2 2 234.387 2.247 20 0 BEADLP CC[N@H+](Cc1nccs1)[C@H]1CCC[NH2+]CC1 ZINC000345211092 386059849 /nfs/dbraw/zinc/05/98/49/386059849.db2.gz SYAYSEJWDGKHOX-NSHDSACASA-N 2 2 239.388 2.107 20 0 BEADLP CC[N@@H+](Cc1nccs1)[C@H]1CCC[NH2+]CC1 ZINC000345211092 386059855 /nfs/dbraw/zinc/05/98/55/386059855.db2.gz SYAYSEJWDGKHOX-NSHDSACASA-N 2 2 239.388 2.107 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335072639 386062347 /nfs/dbraw/zinc/06/23/47/386062347.db2.gz GRJQKJYSOWEGRL-WFASDCNBSA-N 2 2 230.355 2.324 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336772686 386071621 /nfs/dbraw/zinc/07/16/21/386071621.db2.gz XYNRMDPONLIMRI-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336772686 386071625 /nfs/dbraw/zinc/07/16/25/386071625.db2.gz XYNRMDPONLIMRI-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+](C)C)[C@@H](C)C2 ZINC000286952688 386085572 /nfs/dbraw/zinc/08/55/72/386085572.db2.gz HLQIRHMYPGROQN-WFASDCNBSA-N 2 2 232.371 2.380 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+](C)C)[C@@H](C)C2 ZINC000286952684 386086937 /nfs/dbraw/zinc/08/69/37/386086937.db2.gz HLQIRHMYPGROQN-SWLSCSKDSA-N 2 2 232.371 2.380 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414888187 386098461 /nfs/dbraw/zinc/09/84/61/386098461.db2.gz JWDCEIWYUKQPSJ-CQSZACIVSA-N 2 2 236.334 2.215 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000345307512 386098557 /nfs/dbraw/zinc/09/85/57/386098557.db2.gz FSHGFWRNRRHOBH-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1F ZINC000414990534 386145042 /nfs/dbraw/zinc/14/50/42/386145042.db2.gz PKUHLAJLSYWUSP-JTQLQIEISA-N 2 2 230.714 2.306 20 0 BEADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]CCOC ZINC000414891600 386146208 /nfs/dbraw/zinc/14/62/08/386146208.db2.gz WEVFSVHQDNZYEL-KGLIPLIRSA-N 2 2 242.407 2.171 20 0 BEADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000346110021 386150393 /nfs/dbraw/zinc/15/03/93/386150393.db2.gz VMJQSLHAXRHUJE-CQSZACIVSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cccc(OCC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000346110021 386150398 /nfs/dbraw/zinc/15/03/98/386150398.db2.gz VMJQSLHAXRHUJE-CQSZACIVSA-N 2 2 248.370 2.051 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000430616201 386161145 /nfs/dbraw/zinc/16/11/45/386161145.db2.gz FQPMARYBGYNREQ-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000430616201 386161151 /nfs/dbraw/zinc/16/11/51/386161151.db2.gz FQPMARYBGYNREQ-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP FC(F)C[N@H+](CCn1cc[nH+]c1)CC1CCC1 ZINC000346163503 386171586 /nfs/dbraw/zinc/17/15/86/386171586.db2.gz MGRDURVEYHMELF-UHFFFAOYSA-N 2 2 243.301 2.250 20 0 BEADLP FC(F)C[N@@H+](CCn1cc[nH+]c1)CC1CCC1 ZINC000346163503 386171591 /nfs/dbraw/zinc/17/15/91/386171591.db2.gz MGRDURVEYHMELF-UHFFFAOYSA-N 2 2 243.301 2.250 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000336753690 386173478 /nfs/dbraw/zinc/17/34/78/386173478.db2.gz WMKDBQSEDOSIJQ-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000336753690 386173481 /nfs/dbraw/zinc/17/34/81/386173481.db2.gz WMKDBQSEDOSIJQ-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccncc1F ZINC000338950208 386185896 /nfs/dbraw/zinc/18/58/96/386185896.db2.gz XJKVXNGEDQTMHR-WDEREUQCSA-N 2 2 239.338 2.212 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1C1CC1 ZINC000414346952 386134891 /nfs/dbraw/zinc/13/48/91/386134891.db2.gz VESCDXBUYCGGOB-ZMJPVWNMSA-N 2 2 246.354 2.350 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1C1CC1 ZINC000414346952 386134898 /nfs/dbraw/zinc/13/48/98/386134898.db2.gz VESCDXBUYCGGOB-ZMJPVWNMSA-N 2 2 246.354 2.350 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000275317366 386201788 /nfs/dbraw/zinc/20/17/88/386201788.db2.gz SMTFRRUKZGMIBB-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000275317366 386201793 /nfs/dbraw/zinc/20/17/93/386201793.db2.gz SMTFRRUKZGMIBB-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000275317366 386201798 /nfs/dbraw/zinc/20/17/98/386201798.db2.gz SMTFRRUKZGMIBB-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000275317366 386201800 /nfs/dbraw/zinc/20/18/00/386201800.db2.gz SMTFRRUKZGMIBB-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000336742573 386202149 /nfs/dbraw/zinc/20/21/49/386202149.db2.gz OLNVEGNGODIUCJ-NEPJUHHUSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000336742573 386202154 /nfs/dbraw/zinc/20/21/54/386202154.db2.gz OLNVEGNGODIUCJ-NEPJUHHUSA-N 2 2 219.332 2.285 20 0 BEADLP CO[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000275326941 386202948 /nfs/dbraw/zinc/20/29/48/386202948.db2.gz VCQUYGGZNANCKX-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CO[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000275326941 386202952 /nfs/dbraw/zinc/20/29/52/386202952.db2.gz VCQUYGGZNANCKX-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000297015002 386221084 /nfs/dbraw/zinc/22/10/84/386221084.db2.gz UCSFEUYDMWPRAJ-SNVBAGLBSA-N 2 2 214.272 2.143 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000297014997 386221582 /nfs/dbraw/zinc/22/15/82/386221582.db2.gz UCSFEUYDMWPRAJ-JTQLQIEISA-N 2 2 214.272 2.143 20 0 BEADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000347040198 386226159 /nfs/dbraw/zinc/22/61/59/386226159.db2.gz HSPLWJNTIPZGIJ-BTKRWWFXSA-N 2 2 246.354 2.132 20 0 BEADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000347040198 386226161 /nfs/dbraw/zinc/22/61/61/386226161.db2.gz HSPLWJNTIPZGIJ-BTKRWWFXSA-N 2 2 246.354 2.132 20 0 BEADLP CCC(CC)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131943677 386226739 /nfs/dbraw/zinc/22/67/39/386226739.db2.gz AQQCETSLQMXRSY-CMPLNLGQSA-N 2 2 210.365 2.390 20 0 BEADLP CCC(CC)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131943677 386226743 /nfs/dbraw/zinc/22/67/43/386226743.db2.gz AQQCETSLQMXRSY-CMPLNLGQSA-N 2 2 210.365 2.390 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000430622383 386234771 /nfs/dbraw/zinc/23/47/71/386234771.db2.gz LJTVPRXJIVHPBZ-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000430622383 386234778 /nfs/dbraw/zinc/23/47/78/386234778.db2.gz LJTVPRXJIVHPBZ-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC000430622384 386235063 /nfs/dbraw/zinc/23/50/63/386235063.db2.gz LJTVPRXJIVHPBZ-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCCOc2ccccc2C)C1 ZINC000430622384 386235074 /nfs/dbraw/zinc/23/50/74/386235074.db2.gz LJTVPRXJIVHPBZ-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP Cc1cc(C)[nH+]c(NCc2[nH]cc[nH+]2)c1 ZINC000125259991 386236965 /nfs/dbraw/zinc/23/69/65/386236965.db2.gz YUUVDUQBGHOVTH-UHFFFAOYSA-N 2 2 202.261 2.034 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000347141906 386260582 /nfs/dbraw/zinc/26/05/82/386260582.db2.gz HXKPWOLKDLYGLD-YNEHKIRRSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000347141906 386260584 /nfs/dbraw/zinc/26/05/84/386260584.db2.gz HXKPWOLKDLYGLD-YNEHKIRRSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)CO[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414715886 386240623 /nfs/dbraw/zinc/24/06/23/386240623.db2.gz XJHKSICFGCOBNJ-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CO[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414715886 386240625 /nfs/dbraw/zinc/24/06/25/386240625.db2.gz XJHKSICFGCOBNJ-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CO[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414715885 386241962 /nfs/dbraw/zinc/24/19/62/386241962.db2.gz XJHKSICFGCOBNJ-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CO[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414715885 386241965 /nfs/dbraw/zinc/24/19/65/386241965.db2.gz XJHKSICFGCOBNJ-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccsc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347141560 386260763 /nfs/dbraw/zinc/26/07/63/386260763.db2.gz WQUZORJTEUDBAQ-GFCCVEGCSA-N 2 2 236.384 2.383 20 0 BEADLP Cc1ccsc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000347141560 386260768 /nfs/dbraw/zinc/26/07/68/386260768.db2.gz WQUZORJTEUDBAQ-GFCCVEGCSA-N 2 2 236.384 2.383 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000336662329 386281680 /nfs/dbraw/zinc/28/16/80/386281680.db2.gz KHCPTQMYQDWMBE-UPJWGTAASA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336662329 386281685 /nfs/dbraw/zinc/28/16/85/386281685.db2.gz KHCPTQMYQDWMBE-UPJWGTAASA-N 2 2 221.348 2.250 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000133247896 386288719 /nfs/dbraw/zinc/28/87/19/386288719.db2.gz ULCUYBBRQFNHEM-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000133247896 386288724 /nfs/dbraw/zinc/28/87/24/386288724.db2.gz ULCUYBBRQFNHEM-GFCCVEGCSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCOC1 ZINC000289355395 386289103 /nfs/dbraw/zinc/28/91/03/386289103.db2.gz NLIKUGDDBNWBAB-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCOC1 ZINC000289355395 386289109 /nfs/dbraw/zinc/28/91/09/386289109.db2.gz NLIKUGDDBNWBAB-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP CCN(CCC[NH+]1CCCC1)c1cc[nH+]c(C)n1 ZINC000276239806 386290260 /nfs/dbraw/zinc/29/02/60/386290260.db2.gz PFRDEIMUVIWSRF-UHFFFAOYSA-N 2 2 248.374 2.097 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC[C@@H](C)O ZINC000276263354 386292602 /nfs/dbraw/zinc/29/26/02/386292602.db2.gz BJRKCAUHULNHBS-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC[C@@H](C)O ZINC000276263354 386292609 /nfs/dbraw/zinc/29/26/09/386292609.db2.gz BJRKCAUHULNHBS-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cccc(F)c1 ZINC000289408611 386298065 /nfs/dbraw/zinc/29/80/65/386298065.db2.gz STONFYYTNDDOLZ-UHFFFAOYSA-N 2 2 247.317 2.234 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccc(F)c1 ZINC000289408611 386298069 /nfs/dbraw/zinc/29/80/69/386298069.db2.gz STONFYYTNDDOLZ-UHFFFAOYSA-N 2 2 247.317 2.234 20 0 BEADLP c1coc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000236718241 386306574 /nfs/dbraw/zinc/30/65/74/386306574.db2.gz OMZVVCMQZLGGIV-UHFFFAOYSA-N 2 2 234.343 2.244 20 0 BEADLP CC(C)c1ncc(C[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000414901773 386314401 /nfs/dbraw/zinc/31/44/01/386314401.db2.gz XLIVMAWZAFUIDE-LLVKDONJSA-N 2 2 239.388 2.093 20 0 BEADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347166864 386265647 /nfs/dbraw/zinc/26/56/47/386265647.db2.gz LFQLPDMDRYQGJZ-HNNXBMFYSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347166864 386265650 /nfs/dbraw/zinc/26/56/50/386265650.db2.gz LFQLPDMDRYQGJZ-HNNXBMFYSA-N 2 2 230.355 2.321 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000336651471 386266895 /nfs/dbraw/zinc/26/68/95/386266895.db2.gz VGODZSKVAUNKAI-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000336651471 386266899 /nfs/dbraw/zinc/26/68/99/386266899.db2.gz VGODZSKVAUNKAI-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CC[NH+](C)C ZINC000289171995 386268196 /nfs/dbraw/zinc/26/81/96/386268196.db2.gz FHGYMRBJASSHDL-CQSZACIVSA-N 3 2 249.402 2.252 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCO1 ZINC000289198627 386271916 /nfs/dbraw/zinc/27/19/16/386271916.db2.gz HLOJILAAKOTIHD-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP Fc1cccc([C@H]2CC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647890037 386364626 /nfs/dbraw/zinc/36/46/26/386364626.db2.gz IQBKAUMETFJGEQ-BXUZGUMPSA-N 2 2 234.318 2.182 20 0 BEADLP Fc1cccc([C@H]2CC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647890037 386364629 /nfs/dbraw/zinc/36/46/29/386364629.db2.gz IQBKAUMETFJGEQ-BXUZGUMPSA-N 2 2 234.318 2.182 20 0 BEADLP FC(F)(F)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000265862230 386378442 /nfs/dbraw/zinc/37/84/42/386378442.db2.gz SKRBCHOSLRYZQW-UHFFFAOYSA-N 2 2 247.264 2.472 20 0 BEADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000289996166 386383090 /nfs/dbraw/zinc/38/30/90/386383090.db2.gz PDBILORNBRXFKM-VXGBXAGGSA-N 2 2 247.342 2.025 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000336718590 386438897 /nfs/dbraw/zinc/43/88/97/386438897.db2.gz XKIZZANCYCWAPA-WOPDTQHZSA-N 2 2 244.448 2.446 20 0 BEADLP c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)nc1 ZINC000299316156 386439981 /nfs/dbraw/zinc/43/99/81/386439981.db2.gz GUQCNNIWQGEWGM-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000290188114 386403560 /nfs/dbraw/zinc/40/35/60/386403560.db2.gz ZUAUTFSJRMXLRS-KGLIPLIRSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000290188114 386403568 /nfs/dbraw/zinc/40/35/68/386403568.db2.gz ZUAUTFSJRMXLRS-KGLIPLIRSA-N 2 2 248.370 2.432 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336776940 386410586 /nfs/dbraw/zinc/41/05/86/386410586.db2.gz GYJWWWHCZGZQNI-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339405381 386418499 /nfs/dbraw/zinc/41/84/99/386418499.db2.gz BPWHYVMLSPOUMF-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339405381 386418510 /nfs/dbraw/zinc/41/85/10/386418510.db2.gz BPWHYVMLSPOUMF-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP CSC1(C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000290370427 386425609 /nfs/dbraw/zinc/42/56/09/386425609.db2.gz HJPJZLQGLQVBAL-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CSC1(C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000290370427 386425613 /nfs/dbraw/zinc/42/56/13/386425613.db2.gz HJPJZLQGLQVBAL-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414910167 386430310 /nfs/dbraw/zinc/43/03/10/386430310.db2.gz CGXNNTJYSKQQAX-DOMZBBRYSA-N 2 2 232.371 2.337 20 0 BEADLP CC[C@@H](CNc1cc[nH+]c(C)n1)[NH+]1CCCC1 ZINC000266374899 386431830 /nfs/dbraw/zinc/43/18/30/386431830.db2.gz MFPWVZVLRIQQQD-LBPRGKRZSA-N 2 2 234.347 2.071 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400540703 533172506 /nfs/dbraw/zinc/17/25/06/533172506.db2.gz USUYENNMOZACLD-SLEUVZQESA-N 2 2 248.370 2.486 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccn1 ZINC000391195654 386472513 /nfs/dbraw/zinc/47/25/13/386472513.db2.gz LDPMTCKZNSPXJN-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccn1 ZINC000391195655 386473777 /nfs/dbraw/zinc/47/37/77/386473777.db2.gz LDPMTCKZNSPXJN-OCCSQVGLSA-N 2 2 233.359 2.010 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336742077 386476034 /nfs/dbraw/zinc/47/60/34/386476034.db2.gz WGWHEOLDKVOOJT-RAIGVLPGSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000335426952 386479704 /nfs/dbraw/zinc/47/97/04/386479704.db2.gz ODOWCPSAHVEJAE-NWDGAFQWSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000335426952 386479707 /nfs/dbraw/zinc/47/97/07/386479707.db2.gz ODOWCPSAHVEJAE-NWDGAFQWSA-N 2 2 221.348 2.312 20 0 BEADLP CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000415012984 386492214 /nfs/dbraw/zinc/49/22/14/386492214.db2.gz UCYIWPUTDLNBAZ-UWVGGRQHSA-N 2 2 241.404 2.167 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000417355076 386493981 /nfs/dbraw/zinc/49/39/81/386493981.db2.gz NEGJRSXRROUEHH-ZDUSSCGKSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415013381 386496517 /nfs/dbraw/zinc/49/65/17/386496517.db2.gz UWDHDMULLFCTDT-BDAKNGLRSA-N 2 2 236.290 2.397 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000415050046 386506330 /nfs/dbraw/zinc/50/63/30/386506330.db2.gz IDIZXRLETJRAKH-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP C[NH+](C)[C@]1(C[NH2+]C2CC(C)(C)C2)CCSC1 ZINC000336779423 386506540 /nfs/dbraw/zinc/50/65/40/386506540.db2.gz OFJDMATVSBMAPQ-ZDUSSCGKSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1sccc1Cl ZINC000415022683 386511158 /nfs/dbraw/zinc/51/11/58/386511158.db2.gz VXNGEDNAXOYXDW-BQBZGAKWSA-N 2 2 218.753 2.227 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1F ZINC000415033271 386521932 /nfs/dbraw/zinc/52/19/32/386521932.db2.gz GVRLZEHRHXMMDA-CYBMUJFWSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cccc(OC[C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000415076849 386577261 /nfs/dbraw/zinc/57/72/61/386577261.db2.gz GSWXSDPEMAOXNM-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccnn1C ZINC000278753245 386577508 /nfs/dbraw/zinc/57/75/08/386577508.db2.gz OANSXNDLYVIXAY-LBPRGKRZSA-N 2 2 244.342 2.017 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccsc1Cl)C1CC1 ZINC000414801464 386587554 /nfs/dbraw/zinc/58/75/54/386587554.db2.gz HAVUFMGLEDDKQO-VIFPVBQESA-N 2 2 230.764 2.228 20 0 BEADLP CSc1cc(C)ccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000415084520 386596367 /nfs/dbraw/zinc/59/63/67/386596367.db2.gz ORUTWJHXQQKYLS-GFCCVEGCSA-N 2 2 236.384 2.168 20 0 BEADLP CSc1cc(C)ccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000415084521 386596406 /nfs/dbraw/zinc/59/64/06/386596406.db2.gz ORUTWJHXQQKYLS-LBPRGKRZSA-N 2 2 236.384 2.168 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000188442853 386531717 /nfs/dbraw/zinc/53/17/17/386531717.db2.gz MJFUEVZGVXRVGQ-VXGBXAGGSA-N 2 2 208.349 2.167 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000188442853 386531722 /nfs/dbraw/zinc/53/17/22/386531722.db2.gz MJFUEVZGVXRVGQ-VXGBXAGGSA-N 2 2 208.349 2.167 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000163532947 386541674 /nfs/dbraw/zinc/54/16/74/386541674.db2.gz DQTLPCUZTJSSJV-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000163532947 386541682 /nfs/dbraw/zinc/54/16/82/386541682.db2.gz DQTLPCUZTJSSJV-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(F)c(F)c1 ZINC000414789842 386542212 /nfs/dbraw/zinc/54/22/12/386542212.db2.gz FWLBSEOANWLVRA-GFCCVEGCSA-N 2 2 228.286 2.038 20 0 BEADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C(C)C ZINC000415061365 386542323 /nfs/dbraw/zinc/54/23/23/386542323.db2.gz CNDDRMHFDBWSNH-ZDUSSCGKSA-N 2 2 206.333 2.247 20 0 BEADLP CCc1cnc(C[NH2+][C@H](C[NH3+])C(C)(C)C)s1 ZINC000415058699 386542578 /nfs/dbraw/zinc/54/25/78/386542578.db2.gz WLFKFAIVCHFSKE-SNVBAGLBSA-N 2 2 241.404 2.169 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415063601 386545845 /nfs/dbraw/zinc/54/58/45/386545845.db2.gz AORWUULDYIZINT-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP Cl/C=C/C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267501915 386548197 /nfs/dbraw/zinc/54/81/97/386548197.db2.gz UKMMQYOFBBLRNA-DAFODLJHSA-N 2 2 225.723 2.342 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCO[C@@H]1C ZINC000415065584 386548952 /nfs/dbraw/zinc/54/89/52/386548952.db2.gz NCPBSZLOFVPFSD-KCPJHIHWSA-N 2 2 248.370 2.016 20 0 BEADLP FC(F)(F)C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000278567191 386549443 /nfs/dbraw/zinc/54/94/43/386549443.db2.gz BVUAMGRRFQZUCW-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[NH2+]C2)c[nH+]1 ZINC000415068424 386550921 /nfs/dbraw/zinc/55/09/21/386550921.db2.gz DYISRMXHEAFVGM-HNNXBMFYSA-N 3 2 247.386 2.054 20 0 BEADLP Cc1ncc(C[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000415070010 386551314 /nfs/dbraw/zinc/55/13/14/386551314.db2.gz UDROIFGMKVFIFX-GFCCVEGCSA-N 2 2 239.388 2.059 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000063195715 386552556 /nfs/dbraw/zinc/55/25/56/386552556.db2.gz YHIGBASLWSRKHM-HIFRSBDPSA-N 2 2 248.370 2.267 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000063195715 386552564 /nfs/dbraw/zinc/55/25/64/386552564.db2.gz YHIGBASLWSRKHM-HIFRSBDPSA-N 2 2 248.370 2.267 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000228658569 386597439 /nfs/dbraw/zinc/59/74/39/386597439.db2.gz HSZYXKFVDOTASV-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000228658569 386597442 /nfs/dbraw/zinc/59/74/42/386597442.db2.gz HSZYXKFVDOTASV-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123471516 386564671 /nfs/dbraw/zinc/56/46/71/386564671.db2.gz IPKGNDKYZSTUIF-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123471516 386564675 /nfs/dbraw/zinc/56/46/75/386564675.db2.gz IPKGNDKYZSTUIF-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000414795631 386572675 /nfs/dbraw/zinc/57/26/75/386572675.db2.gz NGODYXSRUPAMSL-LBPRGKRZSA-N 2 2 228.286 2.038 20 0 BEADLP CCSc1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000415113547 386619721 /nfs/dbraw/zinc/61/97/21/386619721.db2.gz UJYBTLVUTMSWDO-UHFFFAOYSA-N 2 2 224.373 2.189 20 0 BEADLP CCSc1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000415113547 386619724 /nfs/dbraw/zinc/61/97/24/386619724.db2.gz UJYBTLVUTMSWDO-UHFFFAOYSA-N 2 2 224.373 2.189 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335497427 386620953 /nfs/dbraw/zinc/62/09/53/386620953.db2.gz YBAOKKUXFYKTGN-AAEUAGOBSA-N 2 2 234.343 2.389 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335498371 386622747 /nfs/dbraw/zinc/62/27/47/386622747.db2.gz LIZZXIDSAITPBK-CHWSQXEVSA-N 2 2 233.359 2.183 20 0 BEADLP CCc1cccc(F)c1C[N@H+](C)CCC[NH2+]C ZINC000415121576 386632829 /nfs/dbraw/zinc/63/28/29/386632829.db2.gz ISMIBMXUAHELEU-UHFFFAOYSA-N 2 2 238.350 2.429 20 0 BEADLP CCc1cccc(F)c1C[N@@H+](C)CCC[NH2+]C ZINC000415121576 386632834 /nfs/dbraw/zinc/63/28/34/386632834.db2.gz ISMIBMXUAHELEU-UHFFFAOYSA-N 2 2 238.350 2.429 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1nc(C)cs1 ZINC000414814164 386639930 /nfs/dbraw/zinc/63/99/30/386639930.db2.gz NINOKWPOIOWPRX-SNVBAGLBSA-N 2 2 227.377 2.059 20 0 BEADLP CCSCC[NH2+]C[C@H](CC)[NH+]1CCCC1 ZINC000336758827 386641779 /nfs/dbraw/zinc/64/17/79/386641779.db2.gz JZXZKBTZRVBXKE-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000414812877 386643860 /nfs/dbraw/zinc/64/38/60/386643860.db2.gz PXWYTNNWBIOPGX-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(CC)s1 ZINC000414814933 386649978 /nfs/dbraw/zinc/64/99/78/386649978.db2.gz OTKWOPVGFCSELK-JTQLQIEISA-N 2 2 241.404 2.313 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC000414815154 386650059 /nfs/dbraw/zinc/65/00/59/386650059.db2.gz SOKZMQHIWAJATQ-SECBINFHSA-N 2 2 230.764 2.228 20 0 BEADLP CC(C)c1cnc(C[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000414803223 386599102 /nfs/dbraw/zinc/59/91/02/386599102.db2.gz WGOHXUIOEJXPOX-SNVBAGLBSA-N 2 2 241.404 2.339 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000278923469 386606147 /nfs/dbraw/zinc/60/61/47/386606147.db2.gz KRFPXDFWWYUVMM-QWHCGFSZSA-N 2 2 236.359 2.336 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c(F)cccc1F ZINC000414804760 386607846 /nfs/dbraw/zinc/60/78/46/386607846.db2.gz XUNOMSATWLYJBO-LBPRGKRZSA-N 2 2 228.286 2.038 20 0 BEADLP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2ccncc12 ZINC000268019345 386609445 /nfs/dbraw/zinc/60/94/45/386609445.db2.gz YHVNGGZWPGZQJM-LLVKDONJSA-N 2 2 244.342 2.382 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415092923 386611390 /nfs/dbraw/zinc/61/13/90/386611390.db2.gz UISXBIVDWXKBBD-RYUDHWBXSA-N 2 2 237.347 2.084 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc(Cl)cs1 ZINC000414820050 386663585 /nfs/dbraw/zinc/66/35/85/386663585.db2.gz ABTQYTHHDWDBBV-UHFFFAOYSA-N 2 2 218.753 2.101 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000049961735 386683701 /nfs/dbraw/zinc/68/37/01/386683701.db2.gz SLLUMCIIYMOHOQ-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000049961735 386683704 /nfs/dbraw/zinc/68/37/04/386683704.db2.gz SLLUMCIIYMOHOQ-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP [NH3+][C@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000414824999 386688447 /nfs/dbraw/zinc/68/84/47/386688447.db2.gz BPBHMSVLXIDUBA-WCQYABFASA-N 2 2 236.384 2.029 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414828311 386698587 /nfs/dbraw/zinc/69/85/87/386698587.db2.gz IPRNNWZJEBTTLE-SMDDNHRTSA-N 2 2 218.344 2.465 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324756 386704526 /nfs/dbraw/zinc/70/45/26/386704526.db2.gz QJWZSBUCLLZAOA-UKRRQHHQSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)[NH+](C)C ZINC000268848804 386704802 /nfs/dbraw/zinc/70/48/02/386704802.db2.gz GUPCLOXJMYWLPB-TYNCELHUSA-N 2 2 232.371 2.460 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414838663 386738937 /nfs/dbraw/zinc/73/89/37/386738937.db2.gz ZEIFSDWHLCFDKE-ZDUSSCGKSA-N 2 2 238.762 2.006 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2c(c1)COC2 ZINC000335486009 386717545 /nfs/dbraw/zinc/71/75/45/386717545.db2.gz DURWWXDUNNRFBY-IAQYHMDHSA-N 2 2 246.354 2.119 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000414842156 386747709 /nfs/dbraw/zinc/74/77/09/386747709.db2.gz NYAQLWVCQCWKEC-LLVKDONJSA-N 2 2 242.313 2.428 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccs1 ZINC000269096411 386752159 /nfs/dbraw/zinc/75/21/59/386752159.db2.gz NBVAEIZAWJESMQ-UHFFFAOYSA-N 2 2 221.329 2.077 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000084487073 386757408 /nfs/dbraw/zinc/75/74/08/386757408.db2.gz QIHQNMBPPJKVLS-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP COc1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)ccc1C ZINC000414934186 386792761 /nfs/dbraw/zinc/79/27/61/386792761.db2.gz BEHGOJZSUZDWRM-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccoc1C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000639396878 386794162 /nfs/dbraw/zinc/79/41/62/386794162.db2.gz KYOSEMUFGIGJCC-ZDUSSCGKSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000639396878 386794167 /nfs/dbraw/zinc/79/41/67/386794167.db2.gz KYOSEMUFGIGJCC-ZDUSSCGKSA-N 2 2 234.343 2.114 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CC3CCC2CC3)c[nH+]1 ZINC000336665885 386773591 /nfs/dbraw/zinc/77/35/91/386773591.db2.gz ZLROWMKVBPANEN-JXQTWKCFSA-N 2 2 233.359 2.442 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000019843326 386787376 /nfs/dbraw/zinc/78/73/76/386787376.db2.gz JKYZFXNIUYITJS-SNVBAGLBSA-N 2 2 210.346 2.061 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000019843326 386787379 /nfs/dbraw/zinc/78/73/79/386787379.db2.gz JKYZFXNIUYITJS-SNVBAGLBSA-N 2 2 210.346 2.061 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000019843325 386787485 /nfs/dbraw/zinc/78/74/85/386787485.db2.gz JKYZFXNIUYITJS-JTQLQIEISA-N 2 2 210.346 2.061 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000019843325 386787490 /nfs/dbraw/zinc/78/74/90/386787490.db2.gz JKYZFXNIUYITJS-JTQLQIEISA-N 2 2 210.346 2.061 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000414934274 386797090 /nfs/dbraw/zinc/79/70/90/386797090.db2.gz UIOFZEREQRXYFL-MRVPVSSYSA-N 2 2 248.248 2.022 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000414935090 386802731 /nfs/dbraw/zinc/80/27/31/386802731.db2.gz UGAUVQJDDJFGHM-ZWNOBZJWSA-N 2 2 238.762 2.428 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1COC(C)(C)C1)[NH+]1CCCC1 ZINC000417850502 386807720 /nfs/dbraw/zinc/80/77/20/386807720.db2.gz BNLLVZPVJHSUGO-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CC2)C1 ZINC000334707310 386815245 /nfs/dbraw/zinc/81/52/45/386815245.db2.gz GCKJHPLEVGOMBX-UHFFFAOYSA-N 2 2 219.332 2.068 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CC2)C1 ZINC000334707310 386815250 /nfs/dbraw/zinc/81/52/50/386815250.db2.gz GCKJHPLEVGOMBX-UHFFFAOYSA-N 2 2 219.332 2.068 20 0 BEADLP CC(C)c1nc(NC[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000301286595 386830438 /nfs/dbraw/zinc/83/04/38/386830438.db2.gz VKLGEBZTTQPWOW-GFCCVEGCSA-N 2 2 248.374 2.354 20 0 BEADLP c1cnc2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2c1 ZINC000414847103 386832635 /nfs/dbraw/zinc/83/26/35/386832635.db2.gz OFGHSOXWYSQVDN-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP C[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000334782806 386838883 /nfs/dbraw/zinc/83/88/83/386838883.db2.gz BWCAEFQXEKALOA-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP C[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1 ZINC000334782806 386838891 /nfs/dbraw/zinc/83/88/91/386838891.db2.gz BWCAEFQXEKALOA-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414938072 386856353 /nfs/dbraw/zinc/85/63/53/386856353.db2.gz DVXZGCWMFHUVKD-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414938046 386857077 /nfs/dbraw/zinc/85/70/77/386857077.db2.gz VWVXPUFNWSYSSU-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC000301694109 386868089 /nfs/dbraw/zinc/86/80/89/386868089.db2.gz OWEMAMVTOKWLOF-ZDUSSCGKSA-N 2 2 248.374 2.156 20 0 BEADLP Cc1nc(NC[C@@H]2CCC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC000301694109 386868093 /nfs/dbraw/zinc/86/80/93/386868093.db2.gz OWEMAMVTOKWLOF-ZDUSSCGKSA-N 2 2 248.374 2.156 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000334835846 386876730 /nfs/dbraw/zinc/87/67/30/386876730.db2.gz KFVVVIUVDJISIF-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000334835846 386876736 /nfs/dbraw/zinc/87/67/36/386876736.db2.gz KFVVVIUVDJISIF-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000334835846 386876741 /nfs/dbraw/zinc/87/67/41/386876741.db2.gz KFVVVIUVDJISIF-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000334835846 386876744 /nfs/dbraw/zinc/87/67/44/386876744.db2.gz KFVVVIUVDJISIF-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000414941765 386887137 /nfs/dbraw/zinc/88/71/37/386887137.db2.gz YWLREZATYQRMHH-ZWNOBZJWSA-N 2 2 238.762 2.428 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414941029 386888584 /nfs/dbraw/zinc/88/85/84/386888584.db2.gz YDRVSALSVJGJEW-FZMZJTMJSA-N 2 2 236.334 2.222 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)ccc1C ZINC000358228676 386915578 /nfs/dbraw/zinc/91/55/78/386915578.db2.gz VLCJSJNWHNLRGT-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)ccc1C ZINC000358228676 386915583 /nfs/dbraw/zinc/91/55/83/386915583.db2.gz VLCJSJNWHNLRGT-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP c1cc2c(cc1NCC1CC[NH2+]CC1)CCC[NH2+]2 ZINC000334863234 386917434 /nfs/dbraw/zinc/91/74/34/386917434.db2.gz LVTKCFQFSPKXOX-UHFFFAOYSA-N 2 2 245.370 2.456 20 0 BEADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000334852921 386902593 /nfs/dbraw/zinc/90/25/93/386902593.db2.gz CDXCZZREUKOSAS-ZANVPECISA-N 2 2 240.297 2.052 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000334864331 386919709 /nfs/dbraw/zinc/91/97/09/386919709.db2.gz ONFROFNCAGUNGU-GXTWGEPZSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CS1 ZINC000334854879 386906897 /nfs/dbraw/zinc/90/68/97/386906897.db2.gz VFMPNNRVCGBQRM-QWRGUYRKSA-N 2 2 247.367 2.318 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000334865219 386921820 /nfs/dbraw/zinc/92/18/20/386921820.db2.gz RJMRSVFYJSXDGL-JOYOIKCWSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334819767 386947637 /nfs/dbraw/zinc/94/76/37/386947637.db2.gz JHRMVKQBEATKLA-TVQRCGJNSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104038 386941832 /nfs/dbraw/zinc/94/18/32/386941832.db2.gz ZZWWNWKBWWRWOA-ZYHUDNBSSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104038 386941835 /nfs/dbraw/zinc/94/18/35/386941835.db2.gz ZZWWNWKBWWRWOA-ZYHUDNBSSA-N 2 2 233.359 2.435 20 0 BEADLP c1cn(CCC[NH+]2CCC(C3CC3)CC2)c[nH+]1 ZINC000368328432 386960072 /nfs/dbraw/zinc/96/00/72/386960072.db2.gz IHYSADPIYLISOW-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000425353501 386964599 /nfs/dbraw/zinc/96/45/99/386964599.db2.gz IRXUVKFDFISTBI-CHWSQXEVSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000425355343 386965501 /nfs/dbraw/zinc/96/55/01/386965501.db2.gz LBGOFVAXWMIJNA-RWMBFGLXSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000425355343 386965511 /nfs/dbraw/zinc/96/55/11/386965511.db2.gz LBGOFVAXWMIJNA-RWMBFGLXSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425356322 386967649 /nfs/dbraw/zinc/96/76/49/386967649.db2.gz MDZCIWJGZDEOFX-YVECIDJPSA-N 2 2 240.416 2.097 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000425356322 386967651 /nfs/dbraw/zinc/96/76/51/386967651.db2.gz MDZCIWJGZDEOFX-YVECIDJPSA-N 2 2 240.416 2.097 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000425360233 386976647 /nfs/dbraw/zinc/97/66/47/386976647.db2.gz QVHSGOICWJRTMT-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425384025 387033109 /nfs/dbraw/zinc/03/31/09/387033109.db2.gz QCNQPDHJEUQXAH-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425384025 387033118 /nfs/dbraw/zinc/03/31/18/387033118.db2.gz QCNQPDHJEUQXAH-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000334967931 387051173 /nfs/dbraw/zinc/05/11/73/387051173.db2.gz LNOMIIONWPVCAX-BDAKNGLRSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000334967931 387051178 /nfs/dbraw/zinc/05/11/78/387051178.db2.gz LNOMIIONWPVCAX-BDAKNGLRSA-N 2 2 238.297 2.244 20 0 BEADLP CCc1[nH+]ccn1Cc1c[nH+]ccc1C ZINC000334978751 387064336 /nfs/dbraw/zinc/06/43/36/387064336.db2.gz MZGRMSLRSVBHPJ-UHFFFAOYSA-N 2 2 201.273 2.197 20 0 BEADLP C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000267319692 387018719 /nfs/dbraw/zinc/01/87/19/387018719.db2.gz YQOKQFCVGSRWAG-NEPJUHHUSA-N 2 2 219.332 2.366 20 0 BEADLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000267319697 387019923 /nfs/dbraw/zinc/01/99/23/387019923.db2.gz YQOKQFCVGSRWAG-VXGBXAGGSA-N 2 2 219.332 2.366 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[NH+](C)C ZINC000336765779 387083109 /nfs/dbraw/zinc/08/31/09/387083109.db2.gz RNDDOMVCQBMQLG-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000334997542 387090063 /nfs/dbraw/zinc/09/00/63/387090063.db2.gz DLYNWQZRDAFORX-AWEZNQCLSA-N 2 2 233.359 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])c(C)n1 ZINC000334997542 387090066 /nfs/dbraw/zinc/09/00/66/387090066.db2.gz DLYNWQZRDAFORX-AWEZNQCLSA-N 2 2 233.359 2.012 20 0 BEADLP CN(C)c1[nH+]cc(C[NH2+]CCC2=CCCC2)n1C ZINC000228570046 387101838 /nfs/dbraw/zinc/10/18/38/387101838.db2.gz HSBWLHKCGUWOBI-UHFFFAOYSA-N 2 2 248.374 2.076 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000336766154 387103300 /nfs/dbraw/zinc/10/33/00/387103300.db2.gz RIACPNCLAMBDQG-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)o1 ZINC000370262760 387104713 /nfs/dbraw/zinc/10/47/13/387104713.db2.gz SHYQXCKSVHDRCF-UHFFFAOYSA-N 2 2 245.326 2.411 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336767177 387122742 /nfs/dbraw/zinc/12/27/42/387122742.db2.gz SIWGWWPVWWXBGC-GRYCIOLGSA-N 2 2 230.421 2.058 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336767177 387122745 /nfs/dbraw/zinc/12/27/45/387122745.db2.gz SIWGWWPVWWXBGC-GRYCIOLGSA-N 2 2 230.421 2.058 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499608 387068345 /nfs/dbraw/zinc/06/83/45/387068345.db2.gz VAKTZXPOJQUTHS-MRXNPFEDSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499608 387068349 /nfs/dbraw/zinc/06/83/49/387068349.db2.gz VAKTZXPOJQUTHS-MRXNPFEDSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648536809 387142519 /nfs/dbraw/zinc/14/25/19/387142519.db2.gz JYCMDRHDMKRAKD-HNNXBMFYSA-N 2 2 232.371 2.085 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423307533 387142981 /nfs/dbraw/zinc/14/29/81/387142981.db2.gz GYSLHRLBLODFNC-HNNXBMFYSA-N 2 2 248.370 2.359 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423309890 387146981 /nfs/dbraw/zinc/14/69/81/387146981.db2.gz MKSYGYAUYDRGLB-OAHLLOKOSA-N 2 2 248.370 2.272 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc[nH]c1)CCC2 ZINC000371133223 387150974 /nfs/dbraw/zinc/15/09/74/387150974.db2.gz JAROZMNYZORVDF-ZDUSSCGKSA-N 2 2 244.342 2.187 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1F ZINC000423312822 387151830 /nfs/dbraw/zinc/15/18/30/387151830.db2.gz DTPYXASVJZSIPQ-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322135112 387153032 /nfs/dbraw/zinc/15/30/32/387153032.db2.gz FRNZOBNZGSLJQA-FDYHWXHSSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322135112 387153039 /nfs/dbraw/zinc/15/30/39/387153039.db2.gz FRNZOBNZGSLJQA-FDYHWXHSSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322135115 387153427 /nfs/dbraw/zinc/15/34/27/387153427.db2.gz FRNZOBNZGSLJQA-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322135115 387153433 /nfs/dbraw/zinc/15/34/33/387153433.db2.gz FRNZOBNZGSLJQA-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1F ZINC000423315124 387154546 /nfs/dbraw/zinc/15/45/46/387154546.db2.gz ILDDEDINMMQHLA-RNCFNFMXSA-N 2 2 222.307 2.214 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1F ZINC000423315122 387154590 /nfs/dbraw/zinc/15/45/90/387154590.db2.gz ILDDEDINMMQHLA-NOZJJQNGSA-N 2 2 222.307 2.214 20 0 BEADLP C[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000336326736 387155206 /nfs/dbraw/zinc/15/52/06/387155206.db2.gz QEMLGNSYDCNSIM-UHFFFAOYSA-N 2 2 248.345 2.499 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cnccc1C ZINC000423316093 387156163 /nfs/dbraw/zinc/15/61/63/387156163.db2.gz XYAJRSAXPRFLGZ-LBPRGKRZSA-N 2 2 221.348 2.040 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000423318622 387158721 /nfs/dbraw/zinc/15/87/21/387158721.db2.gz ZDEPENGKRPUCEX-LBPRGKRZSA-N 2 2 236.359 2.345 20 0 BEADLP COc1cccc2cc([C@@H](C)[NH2+][C@H](C)C[NH3+])oc21 ZINC000423318215 387159093 /nfs/dbraw/zinc/15/90/93/387159093.db2.gz DAVCCACEUVSAFF-NXEZZACHSA-N 2 2 248.326 2.439 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1F ZINC000423318681 387159153 /nfs/dbraw/zinc/15/91/53/387159153.db2.gz DEFZMNZIVKDSFZ-PELKAZGASA-N 2 2 228.286 2.353 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000353245865 387163110 /nfs/dbraw/zinc/16/31/10/387163110.db2.gz YGXDWBJSJUUQFS-SNVBAGLBSA-N 2 2 245.326 2.212 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000353245865 387163117 /nfs/dbraw/zinc/16/31/17/387163117.db2.gz YGXDWBJSJUUQFS-SNVBAGLBSA-N 2 2 245.326 2.212 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000423322732 387166181 /nfs/dbraw/zinc/16/61/81/387166181.db2.gz GRSYZNNDZZDWOK-UONOGXRCSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423328332 387170840 /nfs/dbraw/zinc/17/08/40/387170840.db2.gz NYPYROCPFZGMPL-SFYZADRCSA-N 2 2 230.714 2.477 20 0 BEADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH2+]CCOC ZINC000423330063 387173733 /nfs/dbraw/zinc/17/37/33/387173733.db2.gz LUZPKBACFWIEQJ-MCIONIFRSA-N 2 2 242.407 2.027 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423331639 387176452 /nfs/dbraw/zinc/17/64/52/387176452.db2.gz USEPXWIRVHFYHX-SMDDNHRTSA-N 2 2 248.370 2.392 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423332317 387178255 /nfs/dbraw/zinc/17/82/55/387178255.db2.gz NDCZDZQRZFWPNV-WFASDCNBSA-N 2 2 248.370 2.061 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423331883 387178320 /nfs/dbraw/zinc/17/83/20/387178320.db2.gz NDCZDZQRZFWPNV-DOMZBBRYSA-N 2 2 248.370 2.061 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423334847 387181257 /nfs/dbraw/zinc/18/12/57/387181257.db2.gz STAKSLXPJYIOHT-GHMZBOCLSA-N 2 2 222.332 2.083 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000571862564 387187841 /nfs/dbraw/zinc/18/78/41/387187841.db2.gz OMMWEPAXGMDBJX-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CCCC[C@@H](C[NH3+])N[C@H](C)c1[nH+]ccn1CC ZINC000423303741 387137109 /nfs/dbraw/zinc/13/71/09/387137109.db2.gz XIRSIUFCMOXENE-NEPJUHHUSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1nccn1CC ZINC000423303741 387137113 /nfs/dbraw/zinc/13/71/13/387137113.db2.gz XIRSIUFCMOXENE-NEPJUHHUSA-N 2 2 238.379 2.071 20 0 BEADLP CO[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445975 387204164 /nfs/dbraw/zinc/20/41/64/387204164.db2.gz FAIZTIHFAKBTHB-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CO[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445975 387204167 /nfs/dbraw/zinc/20/41/67/387204167.db2.gz FAIZTIHFAKBTHB-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000162028426 387208588 /nfs/dbraw/zinc/20/85/88/387208588.db2.gz KOVBONGLTIKFRF-ZETCQYMHSA-N 2 2 233.142 2.430 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423358334 387210672 /nfs/dbraw/zinc/21/06/72/387210672.db2.gz JNXFCCJBOGDZQW-OBJOEFQTSA-N 2 2 233.359 2.039 20 0 BEADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423358555 387210946 /nfs/dbraw/zinc/21/09/46/387210946.db2.gz BQZWONDSYVMFHK-DTWKUNHWSA-N 2 2 239.388 2.020 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423368572 387221318 /nfs/dbraw/zinc/22/13/18/387221318.db2.gz BECLGMHCLDJPEH-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(F)c1 ZINC000423368552 387221706 /nfs/dbraw/zinc/22/17/06/387221706.db2.gz RZBFLXNCLPLAMY-UHIISALHSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccncc1F ZINC000423372988 387226468 /nfs/dbraw/zinc/22/64/68/387226468.db2.gz GMYBIIJEYWYUCR-OUAUKWLOSA-N 2 2 237.322 2.012 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(O)c1 ZINC000423371902 387226970 /nfs/dbraw/zinc/22/69/70/387226970.db2.gz VLLDMKDOSXSSOQ-COPLHBTASA-N 2 2 234.343 2.041 20 0 BEADLP C[NH+](C)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000120349255 387232853 /nfs/dbraw/zinc/23/28/53/387232853.db2.gz BCRNMEYOPCYDGT-UHFFFAOYSA-N 2 2 236.334 2.352 20 0 BEADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000423414825 387247694 /nfs/dbraw/zinc/24/76/94/387247694.db2.gz COKBKHUEXDNRSK-ZFWWWQNUSA-N 2 2 248.370 2.106 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1Cl ZINC000423422092 387250299 /nfs/dbraw/zinc/25/02/99/387250299.db2.gz CRTOKLCQTSQURF-MVVXRAEJSA-N 2 2 236.746 2.208 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1ccsc1 ZINC000423347232 387198110 /nfs/dbraw/zinc/19/81/10/387198110.db2.gz ZXPBJNXOIJDMBW-LBPRGKRZSA-N 2 2 242.388 2.025 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC(C)C1)CCC2 ZINC000336484560 387311626 /nfs/dbraw/zinc/31/16/26/387311626.db2.gz NVNRSIIWFGEQLN-YDGIUTOCSA-N 2 2 233.359 2.457 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000423465567 387312279 /nfs/dbraw/zinc/31/22/79/387312279.db2.gz MSGLASLTESMSJC-ZYHUDNBSSA-N 2 2 238.379 2.160 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423377211 387259505 /nfs/dbraw/zinc/25/95/05/387259505.db2.gz KBOGNWIMHJXFIF-OLZOCXBDSA-N 2 2 249.402 2.401 20 0 BEADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423379458 387260672 /nfs/dbraw/zinc/26/06/72/387260672.db2.gz XRWTYIKFBWWEJH-IUCAKERBSA-N 2 2 242.750 2.346 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423383385 387265417 /nfs/dbraw/zinc/26/54/17/387265417.db2.gz PPBXZIBBOHFLOR-FRRDWIJNSA-N 2 2 233.359 2.181 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423439539 387289737 /nfs/dbraw/zinc/28/97/37/387289737.db2.gz ADTPMUWRDORRGD-QPUJVOFHSA-N 2 2 240.297 2.279 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423441214 387290357 /nfs/dbraw/zinc/29/03/57/387290357.db2.gz BCAZLEUUGYFZEG-NXEZZACHSA-N 2 2 240.322 2.222 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(F)c1 ZINC000423442894 387292275 /nfs/dbraw/zinc/29/22/75/387292275.db2.gz KGEWRKKLUQPVRY-UTLUCORTSA-N 2 2 240.322 2.221 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423449546 387297340 /nfs/dbraw/zinc/29/73/40/387297340.db2.gz RTXIZCRHWNXENK-VGMNWLOBSA-N 2 2 228.286 2.351 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423449731 387297954 /nfs/dbraw/zinc/29/79/54/387297954.db2.gz RYPZBCATFMEACU-AXFHLTTASA-N 2 2 221.348 2.030 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423449533 387298286 /nfs/dbraw/zinc/29/82/86/387298286.db2.gz RTKVKEAIIPWCMK-UTUOFQBUSA-N 2 2 236.359 2.472 20 0 BEADLP CCC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccn1 ZINC000423452750 387299677 /nfs/dbraw/zinc/29/96/77/387299677.db2.gz WUYOHACLFJFBMU-GVXVVHGQSA-N 2 2 221.348 2.248 20 0 BEADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000643499835 387303469 /nfs/dbraw/zinc/30/34/69/387303469.db2.gz RTTLAVODYPBBHH-FZMZJTMJSA-N 2 2 246.354 2.024 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423455814 387304392 /nfs/dbraw/zinc/30/43/92/387304392.db2.gz CXSWYYTXMUGEAG-QPUJVOFHSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])oc1C ZINC000423459766 387308180 /nfs/dbraw/zinc/30/81/80/387308180.db2.gz IJVRTDZSEIJUTK-AEJSXWLSSA-N 2 2 210.321 2.283 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])oc1C ZINC000423459775 387309022 /nfs/dbraw/zinc/30/90/22/387309022.db2.gz IJVRTDZSEIJUTK-GUBZILKMSA-N 2 2 210.321 2.283 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccoc1 ZINC000643501882 387354954 /nfs/dbraw/zinc/35/49/54/387354954.db2.gz RUCVFKSZKZFYSW-ZYHUDNBSSA-N 2 2 208.305 2.072 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000361005706 387385003 /nfs/dbraw/zinc/38/50/03/387385003.db2.gz WQAOABSCDNDAID-CJNGLKHVSA-N 2 2 244.382 2.412 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000423533931 387361072 /nfs/dbraw/zinc/36/10/72/387361072.db2.gz UTTKTCDUHSVQJP-JQWIXIFHSA-N 2 2 222.332 2.448 20 0 BEADLP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502752 387362643 /nfs/dbraw/zinc/36/26/43/387362643.db2.gz PEIKVSAZAPMUHF-UONOGXRCSA-N 2 2 245.370 2.191 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000361005706 387384999 /nfs/dbraw/zinc/38/49/99/387384999.db2.gz WQAOABSCDNDAID-CJNGLKHVSA-N 2 2 244.382 2.412 20 0 BEADLP Cc1cc(N)cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423476611 387323807 /nfs/dbraw/zinc/32/38/07/387323807.db2.gz KRQYGXOZEKJRDL-DOMZBBRYSA-N 2 2 247.386 2.197 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000423479007 387326097 /nfs/dbraw/zinc/32/60/97/387326097.db2.gz VBJICBXHJLOVQS-MFKMUULPSA-N 2 2 249.358 2.033 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000336501071 387326525 /nfs/dbraw/zinc/32/65/25/387326525.db2.gz OJAOFZHUAVLAHZ-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000336501071 387326531 /nfs/dbraw/zinc/32/65/31/387326531.db2.gz OJAOFZHUAVLAHZ-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP CO[C@H](C)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354134119 387333509 /nfs/dbraw/zinc/33/35/09/387333509.db2.gz OKWXDTQVTGCABG-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP CCCc1[nH+]ccn1Cc1c[nH+]ccc1OC ZINC000286616938 387334116 /nfs/dbraw/zinc/33/41/16/387334116.db2.gz URVAQODIAYJUEI-UHFFFAOYSA-N 2 2 231.299 2.288 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nccs1 ZINC000423503087 387342400 /nfs/dbraw/zinc/34/24/00/387342400.db2.gz MLQCWBWPLOGKEW-MWLCHTKSSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nccs1 ZINC000423503088 387343648 /nfs/dbraw/zinc/34/36/48/387343648.db2.gz MLQCWBWPLOGKEW-ONGXEEELSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cncc(F)c1 ZINC000643501356 387352511 /nfs/dbraw/zinc/35/25/11/387352511.db2.gz DXMUVOYKYPXLQW-GWCFXTLKSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1sccc1Br ZINC000037713036 387441241 /nfs/dbraw/zinc/44/12/41/387441241.db2.gz AZPZKVDQOREHRS-LURJTMIESA-N 2 2 249.177 2.120 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)n1 ZINC000643505751 387452802 /nfs/dbraw/zinc/45/28/02/387452802.db2.gz FXUVCEXMVZQAQI-WCQYABFASA-N 2 2 233.359 2.101 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000361400771 387455873 /nfs/dbraw/zinc/45/58/73/387455873.db2.gz RNLBIWDXYJOHDW-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000361400771 387455877 /nfs/dbraw/zinc/45/58/77/387455877.db2.gz RNLBIWDXYJOHDW-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000648496138 387456046 /nfs/dbraw/zinc/45/60/46/387456046.db2.gz YHOZXOQAOZVEAG-WDNDVIMCSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)s1 ZINC000643506458 387459758 /nfs/dbraw/zinc/45/97/58/387459758.db2.gz XRULCVFTHYQNKK-JTQLQIEISA-N 2 2 224.373 2.459 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)cc1Cl ZINC000162075217 387394815 /nfs/dbraw/zinc/39/48/15/387394815.db2.gz PTSZLCDIKIMWJI-ZETCQYMHSA-N 2 2 233.142 2.430 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@]2(C)CCOC2)c[nH+]1 ZINC000354589469 387399892 /nfs/dbraw/zinc/39/98/92/387399892.db2.gz YVIIKYMYJPRGJT-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC(C)(C)O)c[nH+]1 ZINC000354682398 387415461 /nfs/dbraw/zinc/41/54/61/387415461.db2.gz WGCVJDDXPFFANK-UHFFFAOYSA-N 2 2 236.359 2.073 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000361230607 387419644 /nfs/dbraw/zinc/41/96/44/387419644.db2.gz PUIZFQNYVKSUTO-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000361230607 387419646 /nfs/dbraw/zinc/41/96/46/387419646.db2.gz PUIZFQNYVKSUTO-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP c1cn(CC[N@H+](CC2CC2)C2CCC2)c[nH+]1 ZINC000361578046 387498183 /nfs/dbraw/zinc/49/81/83/387498183.db2.gz NHENFEMTNRFFLP-UHFFFAOYSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@@H+](CC2CC2)C2CCC2)c[nH+]1 ZINC000361578046 387498186 /nfs/dbraw/zinc/49/81/86/387498186.db2.gz NHENFEMTNRFFLP-UHFFFAOYSA-N 2 2 219.332 2.148 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000643509081 387505534 /nfs/dbraw/zinc/50/55/34/387505534.db2.gz KWDDXEZWIVGKIE-KFWWJZLASA-N 2 2 248.370 2.234 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000643509083 387506058 /nfs/dbraw/zinc/50/60/58/387506058.db2.gz KWDDXEZWIVGKIE-RRFJBIMHSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352812075 387506521 /nfs/dbraw/zinc/50/65/21/387506521.db2.gz YMXVKNIWTUOQPB-JMSVASOKSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352812075 387506523 /nfs/dbraw/zinc/50/65/23/387506523.db2.gz YMXVKNIWTUOQPB-JMSVASOKSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1(C)CC1 ZINC000122477066 387533909 /nfs/dbraw/zinc/53/39/09/387533909.db2.gz FTZICKVSDBNZNU-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cnccc1C ZINC000361444069 387462697 /nfs/dbraw/zinc/46/26/97/387462697.db2.gz GQOPXLDBOZTFAP-UHFFFAOYSA-N 2 2 244.342 2.027 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506007 387463756 /nfs/dbraw/zinc/46/37/56/387463756.db2.gz HLTKGXTUVYSNAY-CYBMUJFWSA-N 2 2 232.371 2.268 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643505858 387464385 /nfs/dbraw/zinc/46/43/85/387464385.db2.gz BUEPCFZMGAGOIA-SNVBAGLBSA-N 2 2 224.373 2.459 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506168 387467167 /nfs/dbraw/zinc/46/71/67/387467167.db2.gz MMMUVTHKOYIZNS-NSHDSACASA-N 2 2 234.343 2.098 20 0 BEADLP CSC1(C[NH2+]C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000304358923 387467260 /nfs/dbraw/zinc/46/72/60/387467260.db2.gz YIHPNJDZAPQCOI-LBPRGKRZSA-N 2 2 244.448 2.448 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1cccnc1 ZINC000643507270 387475022 /nfs/dbraw/zinc/47/50/22/387475022.db2.gz XUHDFFYWGKRXRK-AWEZNQCLSA-N 2 2 233.359 2.120 20 0 BEADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507559 387476881 /nfs/dbraw/zinc/47/68/81/387476881.db2.gz IFAUIXRRLGPGEV-DOMZBBRYSA-N 2 2 248.370 2.104 20 0 BEADLP Oc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643507526 387477740 /nfs/dbraw/zinc/47/77/40/387477740.db2.gz HLIVDKCHOWMXRK-OAHLLOKOSA-N 2 2 246.354 2.111 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCOC[C@@H]2C)c[nH+]1 ZINC000355120530 387482734 /nfs/dbraw/zinc/48/27/34/387482734.db2.gz KBLNHAVWSHBRNH-SWLSCSKDSA-N 2 2 248.370 2.337 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396705140 387483138 /nfs/dbraw/zinc/48/31/38/387483138.db2.gz OHJXZJAGYQMIBQ-WFASDCNBSA-N 2 2 248.370 2.315 20 0 BEADLP CO[C@H]1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000355142385 387488245 /nfs/dbraw/zinc/48/82/45/387488245.db2.gz XZODDLWADMNTCZ-GJZGRUSLSA-N 2 2 248.370 2.480 20 0 BEADLP c1cn(CC[N@H+](CC2CC2)CC2CCC2)c[nH+]1 ZINC000361558346 387489208 /nfs/dbraw/zinc/48/92/08/387489208.db2.gz WNPUJYHYAQOYBA-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@@H+](CC2CC2)CC2CCC2)c[nH+]1 ZINC000361558346 387489211 /nfs/dbraw/zinc/48/92/11/387489211.db2.gz WNPUJYHYAQOYBA-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP CSC[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000399984573 387581112 /nfs/dbraw/zinc/58/11/12/387581112.db2.gz BBPNPOUHLZWRSJ-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CSC[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000399984573 387581116 /nfs/dbraw/zinc/58/11/16/387581116.db2.gz BBPNPOUHLZWRSJ-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000643511981 387594570 /nfs/dbraw/zinc/59/45/70/387594570.db2.gz YBDMSXJXARZUIV-STQMWFEESA-N 2 2 233.359 2.032 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCCC1 ZINC000124255279 387610083 /nfs/dbraw/zinc/61/00/83/387610083.db2.gz JRIIDXQURGJNKS-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCCC1 ZINC000124255279 387610089 /nfs/dbraw/zinc/61/00/89/387610089.db2.gz JRIIDXQURGJNKS-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000430595300 387629883 /nfs/dbraw/zinc/62/98/83/387629883.db2.gz XFOZPFHXYRQUBY-CQSZACIVSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cccc(OCC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000430595300 387629885 /nfs/dbraw/zinc/62/98/85/387629885.db2.gz XFOZPFHXYRQUBY-CQSZACIVSA-N 2 2 248.370 2.051 20 0 BEADLP CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422731711 387641256 /nfs/dbraw/zinc/64/12/56/387641256.db2.gz OBTFBJUTGVNFSH-HUUCEWRRSA-N 2 2 248.370 2.488 20 0 BEADLP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745957 387647451 /nfs/dbraw/zinc/64/74/51/387647451.db2.gz YSBDBLDCHHFDCZ-BPLDGKMQSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@@H]([NH2+]Cc1cnc(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422741500 387648704 /nfs/dbraw/zinc/64/87/04/387648704.db2.gz OORVMVLPOKXGOB-NEPJUHHUSA-N 2 2 239.388 2.072 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646202 387651548 /nfs/dbraw/zinc/65/15/48/387651548.db2.gz SOQBVKOWGUYFNC-SAXRGWBVSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646202 387651551 /nfs/dbraw/zinc/65/15/51/387651551.db2.gz SOQBVKOWGUYFNC-SAXRGWBVSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000422747933 387653430 /nfs/dbraw/zinc/65/34/30/387653430.db2.gz RFADLXGOFYVZLI-IUODEOHRSA-N 2 2 244.338 2.328 20 0 BEADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422748105 387654085 /nfs/dbraw/zinc/65/40/85/387654085.db2.gz RZGSADJSMLZMNE-RKDXNWHRSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654090 387661980 /nfs/dbraw/zinc/66/19/80/387661980.db2.gz PLGXQOWSNPTSNK-DWZYQQQCSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654090 387661988 /nfs/dbraw/zinc/66/19/88/387661988.db2.gz PLGXQOWSNPTSNK-DWZYQQQCSA-N 2 2 234.387 2.247 20 0 BEADLP CO[C@@H](C)[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356521773 387669040 /nfs/dbraw/zinc/66/90/40/387669040.db2.gz KIUYAZMTRBURGF-OLZOCXBDSA-N 2 2 236.359 2.336 20 0 BEADLP COC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C(C)C ZINC000126345666 387679034 /nfs/dbraw/zinc/67/90/34/387679034.db2.gz LVXTXOGQFYCFAO-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781014 387680650 /nfs/dbraw/zinc/68/06/50/387680650.db2.gz JZKPHQONTFDZSE-FPMFFAJLSA-N 2 2 233.359 2.263 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781018 387680896 /nfs/dbraw/zinc/68/08/96/387680896.db2.gz JZKPHQONTFDZSE-UBHSHLNASA-N 2 2 233.359 2.263 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000422788063 387688037 /nfs/dbraw/zinc/68/80/37/387688037.db2.gz VDTZVXQKUBRKFI-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP Cc1cccc(CC[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000418114213 387690606 /nfs/dbraw/zinc/69/06/06/387690606.db2.gz LBQQHONBFSLPLI-UHFFFAOYSA-N 2 2 232.371 2.221 20 0 BEADLP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753173 387692208 /nfs/dbraw/zinc/69/22/08/387692208.db2.gz QFDNJNGPTVNTQM-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP COC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527753173 387692212 /nfs/dbraw/zinc/69/22/12/387692212.db2.gz QFDNJNGPTVNTQM-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440778013 387692315 /nfs/dbraw/zinc/69/23/15/387692315.db2.gz JJEGEIDIOXWUPG-MNOVXSKESA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@H](F)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440778013 387692317 /nfs/dbraw/zinc/69/23/17/387692317.db2.gz JJEGEIDIOXWUPG-MNOVXSKESA-N 2 2 225.311 2.337 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643525340 387742800 /nfs/dbraw/zinc/74/28/00/387742800.db2.gz XPJOBZRPLRNXHQ-YUTCNCBUSA-N 2 2 245.370 2.189 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643525337 387743140 /nfs/dbraw/zinc/74/31/40/387743140.db2.gz XPJOBZRPLRNXHQ-FPMFFAJLSA-N 2 2 245.370 2.189 20 0 BEADLP CC[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000422867226 387745900 /nfs/dbraw/zinc/74/59/00/387745900.db2.gz RWPAXLBFBMUESB-RYUDHWBXSA-N 2 2 224.373 2.368 20 0 BEADLP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422869464 387748482 /nfs/dbraw/zinc/74/84/82/387748482.db2.gz AEFWIPDDBDCCSE-UONOGXRCSA-N 2 2 248.370 2.363 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000440778959 387697654 /nfs/dbraw/zinc/69/76/54/387697654.db2.gz MEHXEORNZUWJOD-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000440778959 387697659 /nfs/dbraw/zinc/69/76/59/387697659.db2.gz MEHXEORNZUWJOD-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000440778959 387697663 /nfs/dbraw/zinc/69/76/63/387697663.db2.gz MEHXEORNZUWJOD-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000440778959 387697665 /nfs/dbraw/zinc/69/76/65/387697665.db2.gz MEHXEORNZUWJOD-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1F ZINC000422799717 387699626 /nfs/dbraw/zinc/69/96/26/387699626.db2.gz YDZXGNRBJQYXCS-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422805817 387705687 /nfs/dbraw/zinc/70/56/87/387705687.db2.gz JQEYMIYWUPSMEH-KGLIPLIRSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@]12C[N@H+](CCn3cc[nH+]c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452042312 387711795 /nfs/dbraw/zinc/71/17/95/387711795.db2.gz FGIWVSBQFIZJAH-LXTVHRRPSA-N 2 2 245.370 2.251 20 0 BEADLP C[C@]12C[N@@H+](CCn3cc[nH+]c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452042312 387711799 /nfs/dbraw/zinc/71/17/99/387711799.db2.gz FGIWVSBQFIZJAH-LXTVHRRPSA-N 2 2 245.370 2.251 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H](C)C1 ZINC000377550704 387727553 /nfs/dbraw/zinc/72/75/53/387727553.db2.gz QUOKNYKWKILSRM-ZDUSSCGKSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H](C)C1 ZINC000377550704 387727562 /nfs/dbraw/zinc/72/75/62/387727562.db2.gz QUOKNYKWKILSRM-ZDUSSCGKSA-N 2 2 248.370 2.291 20 0 BEADLP CC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527811583 387733637 /nfs/dbraw/zinc/73/36/37/387733637.db2.gz RKHGUISNVKSWPY-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527811583 387733642 /nfs/dbraw/zinc/73/36/42/387733642.db2.gz RKHGUISNVKSWPY-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600305 387733694 /nfs/dbraw/zinc/73/36/94/387733694.db2.gz JHWVPVWHJYBGIB-NEPJUHHUSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600305 387733698 /nfs/dbraw/zinc/73/36/98/387733698.db2.gz JHWVPVWHJYBGIB-NEPJUHHUSA-N 2 2 248.374 2.077 20 0 BEADLP FC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527813575 387735180 /nfs/dbraw/zinc/73/51/80/387735180.db2.gz YCJUITPUYXELED-LBPRGKRZSA-N 2 2 226.339 2.095 20 0 BEADLP FC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527813575 387735185 /nfs/dbraw/zinc/73/51/85/387735185.db2.gz YCJUITPUYXELED-LBPRGKRZSA-N 2 2 226.339 2.095 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527864243 387736995 /nfs/dbraw/zinc/73/69/95/387736995.db2.gz KNTGCUMAQSMBGS-FRRDWIJNSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527864243 387737000 /nfs/dbraw/zinc/73/70/00/387737000.db2.gz KNTGCUMAQSMBGS-FRRDWIJNSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527866926 387739905 /nfs/dbraw/zinc/73/99/05/387739905.db2.gz DNYJWHHTDUMZGV-RQJABVFESA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527866926 387739914 /nfs/dbraw/zinc/73/99/14/387739914.db2.gz DNYJWHHTDUMZGV-RQJABVFESA-N 2 2 236.403 2.493 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356886642 387741927 /nfs/dbraw/zinc/74/19/27/387741927.db2.gz YBGCDPUPUWSZHE-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356886642 387741934 /nfs/dbraw/zinc/74/19/34/387741934.db2.gz YBGCDPUPUWSZHE-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000643527332 387762172 /nfs/dbraw/zinc/76/21/72/387762172.db2.gz KYVSJJDEMMQUCV-YUMQZZPRSA-N 2 2 230.714 2.477 20 0 BEADLP CC(C)c1csc(C[NH2+][C@H]2CCC[C@H]2[NH3+])n1 ZINC000422897306 387766796 /nfs/dbraw/zinc/76/67/96/387766796.db2.gz ZJSHQXZVRDVVKG-ZJUUUORDSA-N 2 2 239.388 2.236 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)[NH3+])s1 ZINC000643528435 387770006 /nfs/dbraw/zinc/77/00/06/387770006.db2.gz JBKPCTIVMYTGMK-YUMQZZPRSA-N 2 2 227.377 2.012 20 0 BEADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])oc21 ZINC000643528749 387772205 /nfs/dbraw/zinc/77/22/05/387772205.db2.gz ODTNRJJXNFYXQP-NXEZZACHSA-N 2 2 248.326 2.439 20 0 BEADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C)[NH3+])CCCO2 ZINC000643529229 387773958 /nfs/dbraw/zinc/77/39/58/387773958.db2.gz XCYCSCCRRPGBLE-GXTWGEPZSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422926637 387780374 /nfs/dbraw/zinc/78/03/74/387780374.db2.gz XEMQCZPVBPDSAJ-MIGQKNRLSA-N 2 2 244.382 2.205 20 0 BEADLP c1coc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000378447535 387783950 /nfs/dbraw/zinc/78/39/50/387783950.db2.gz IFXFMYPMNNSHBZ-CYBMUJFWSA-N 2 2 245.326 2.356 20 0 BEADLP c1coc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000378447535 387783952 /nfs/dbraw/zinc/78/39/52/387783952.db2.gz IFXFMYPMNNSHBZ-CYBMUJFWSA-N 2 2 245.326 2.356 20 0 BEADLP CCN(CC)c1ccc(N[C@H]2CCC[C@@H]2[NH3+])c[nH+]1 ZINC000422978973 387788214 /nfs/dbraw/zinc/78/82/14/387788214.db2.gz IIBGBUWBZOQAFB-STQMWFEESA-N 2 2 248.374 2.220 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2O)[C@H]1CCC[NH2+]1 ZINC000422979449 387788248 /nfs/dbraw/zinc/78/82/48/387788248.db2.gz MUMGGMWOKDOREE-GDLCADMTSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)[C@H]1CCC[NH2+]1 ZINC000422979454 387788674 /nfs/dbraw/zinc/78/86/74/387788674.db2.gz MUMGGMWOKDOREE-ZLKJLUDKSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422979772 387791431 /nfs/dbraw/zinc/79/14/31/387791431.db2.gz KEJMSEDSGMIEDH-NWDGAFQWSA-N 2 2 248.374 2.220 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000442649838 387810760 /nfs/dbraw/zinc/81/07/60/387810760.db2.gz NIUMOUVTSLBMOP-RISCZKNCSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000442649838 387810762 /nfs/dbraw/zinc/81/07/62/387810762.db2.gz NIUMOUVTSLBMOP-RISCZKNCSA-N 2 2 236.334 2.180 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015531 387822301 /nfs/dbraw/zinc/82/23/01/387822301.db2.gz YMZZIKLAJQFBAZ-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015531 387822305 /nfs/dbraw/zinc/82/23/05/387822305.db2.gz YMZZIKLAJQFBAZ-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537318 387874831 /nfs/dbraw/zinc/87/48/31/387874831.db2.gz DYZJJXCCSXXMSW-SLEUVZQESA-N 2 2 248.345 2.272 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cnc(C(C)(C)C)s1 ZINC000564084255 387825292 /nfs/dbraw/zinc/82/52/92/387825292.db2.gz LBMJQWITYOFECI-UHFFFAOYSA-N 2 2 241.404 2.221 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cnc(C(C)(C)C)s1 ZINC000564084255 387825293 /nfs/dbraw/zinc/82/52/93/387825293.db2.gz LBMJQWITYOFECI-UHFFFAOYSA-N 2 2 241.404 2.221 20 0 BEADLP Cc1cncc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423008981 387831132 /nfs/dbraw/zinc/83/11/32/387831132.db2.gz BLNFIHQCGHHKRX-OCCSQVGLSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1C[C@H]1C ZINC000322055420 387873378 /nfs/dbraw/zinc/87/33/78/387873378.db2.gz QBDWRMAYOKKBRU-WVWOOGAGSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1C[C@H]1C ZINC000322055420 387873382 /nfs/dbraw/zinc/87/33/82/387873382.db2.gz QBDWRMAYOKKBRU-WVWOOGAGSA-N 2 2 224.392 2.493 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423014810 387838045 /nfs/dbraw/zinc/83/80/45/387838045.db2.gz JLBVWIHDYIVADJ-YWPYICTPSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423015747 387838569 /nfs/dbraw/zinc/83/85/69/387838569.db2.gz RKQCEVAQASCDRV-TUKIKUTGSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423015746 387839063 /nfs/dbraw/zinc/83/90/63/387839063.db2.gz RKQCEVAQASCDRV-NILFDRSVSA-N 2 2 245.370 2.263 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C(F)(F)F ZINC000423073919 387873884 /nfs/dbraw/zinc/87/38/84/387873884.db2.gz SQBTTYFSQHVQIM-IUCAKERBSA-N 2 2 226.286 2.434 20 0 BEADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[NH3+])CCCO2 ZINC000062617129 387853978 /nfs/dbraw/zinc/85/39/78/387853978.db2.gz ZRCBAGALKCLHSJ-ZDUSSCGKSA-N 2 2 234.343 2.065 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423044448 387856005 /nfs/dbraw/zinc/85/60/05/387856005.db2.gz ANVYXTOULOYTLW-KXUCPTDWSA-N 2 2 238.297 2.305 20 0 BEADLP CC[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC000423074765 387874616 /nfs/dbraw/zinc/87/46/16/387874616.db2.gz VCMAVIARNDAAAB-RTBKNWGFSA-N 2 2 238.297 2.434 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C1C[NH2+]C1 ZINC000423067215 387870125 /nfs/dbraw/zinc/87/01/25/387870125.db2.gz YWWHVMQYUKVUEJ-MRVPVSSYSA-N 2 2 242.725 2.177 20 0 BEADLP CC(C)[C@H]([NH2+][C@H](C)CCC[NH3+])C(F)(F)F ZINC000423066683 387870388 /nfs/dbraw/zinc/87/03/88/387870388.db2.gz FGNVNZCNCOZVSF-BDAKNGLRSA-N 2 2 226.286 2.290 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccs1 ZINC000643537578 387870573 /nfs/dbraw/zinc/87/05/73/387870573.db2.gz MAZQPXHZLJPQIZ-DCAQKATOSA-N 2 2 242.363 2.489 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309520405 387815213 /nfs/dbraw/zinc/81/52/13/387815213.db2.gz ZXMTUFPOHADOER-KWCYVHTRSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000309520405 387815217 /nfs/dbraw/zinc/81/52/17/387815217.db2.gz ZXMTUFPOHADOER-KWCYVHTRSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000564081159 387819281 /nfs/dbraw/zinc/81/92/81/387819281.db2.gz ZDVPRGORBQBCTH-GJZGRUSLSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000564081159 387819286 /nfs/dbraw/zinc/81/92/86/387819286.db2.gz ZDVPRGORBQBCTH-GJZGRUSLSA-N 2 2 248.370 2.025 20 0 BEADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537314 387875499 /nfs/dbraw/zinc/87/54/99/387875499.db2.gz DXEIGFGBBHKGPT-ZDEQEGDKSA-N 2 2 230.371 2.491 20 0 BEADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537313 387875789 /nfs/dbraw/zinc/87/57/89/387875789.db2.gz DXEIGFGBBHKGPT-VOAKCMCISA-N 2 2 230.371 2.491 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538398 387876373 /nfs/dbraw/zinc/87/63/73/387876373.db2.gz JGUMLUANPKEMDG-DCAQKATOSA-N 2 2 216.344 2.101 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538399 387876516 /nfs/dbraw/zinc/87/65/16/387876516.db2.gz JGUMLUANPKEMDG-VWYCJHECSA-N 2 2 216.344 2.101 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538772 387878507 /nfs/dbraw/zinc/87/85/07/387878507.db2.gz UXSWAPMZYYTYIN-FIQHERPVSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538274 387878626 /nfs/dbraw/zinc/87/86/26/387878626.db2.gz DJURRCDCUVPNLW-RQJABVFESA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000444764037 387924257 /nfs/dbraw/zinc/92/42/57/387924257.db2.gz AGWVGCUMOJPWHB-ZDUSSCGKSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000444764037 387924263 /nfs/dbraw/zinc/92/42/63/387924263.db2.gz AGWVGCUMOJPWHB-ZDUSSCGKSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1c[nH+]ccc1N ZINC000423147161 387924897 /nfs/dbraw/zinc/92/48/97/387924897.db2.gz RFNLEGDUJHOSRZ-UBHAPETDSA-N 2 2 223.295 2.035 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000438825129 387956017 /nfs/dbraw/zinc/95/60/17/387956017.db2.gz HIYSYIZTBMXFIG-NWDGAFQWSA-N 2 2 249.358 2.118 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)no1 ZINC000438825129 387956022 /nfs/dbraw/zinc/95/60/22/387956022.db2.gz HIYSYIZTBMXFIG-NWDGAFQWSA-N 2 2 249.358 2.118 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685828 387941299 /nfs/dbraw/zinc/94/12/99/387941299.db2.gz PVZMCGVIMMPUNC-QWHCGFSZSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685828 387941303 /nfs/dbraw/zinc/94/13/03/387941303.db2.gz PVZMCGVIMMPUNC-QWHCGFSZSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685834 387942090 /nfs/dbraw/zinc/94/20/90/387942090.db2.gz PVZMCGVIMMPUNC-STQMWFEESA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685834 387942092 /nfs/dbraw/zinc/94/20/92/387942092.db2.gz PVZMCGVIMMPUNC-STQMWFEESA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000393785538 387943321 /nfs/dbraw/zinc/94/33/21/387943321.db2.gz XKIZZANCYCWAPA-SRVKXCTJSA-N 2 2 244.448 2.446 20 0 BEADLP CCOc1cccc2cc([C@@H](C)[NH2+]CC[NH3+])oc21 ZINC000423175466 387962636 /nfs/dbraw/zinc/96/26/36/387962636.db2.gz APJMNNRFXYRLNF-SNVBAGLBSA-N 2 2 248.326 2.441 20 0 BEADLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)s1 ZINC000423179217 387965184 /nfs/dbraw/zinc/96/51/84/387965184.db2.gz JFPHCEPDRDDYOA-SSDOTTSWSA-N 2 2 218.753 2.401 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000400473835 387965726 /nfs/dbraw/zinc/96/57/26/387965726.db2.gz ZARKRKMVHFMGLL-NILFDRSVSA-N 2 2 230.355 2.404 20 0 BEADLP CC[C@H]([NH2+]CC[NH3+])c1cc(C)ccc1OC ZINC000423193850 387979382 /nfs/dbraw/zinc/97/93/82/387979382.db2.gz XGEXCDJSNZNREN-LBPRGKRZSA-N 2 2 222.332 2.003 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000453078127 387980038 /nfs/dbraw/zinc/98/00/38/387980038.db2.gz XHIJABZSUVWAEF-ZIAGYGMSSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccncc1 ZINC000453078127 387980040 /nfs/dbraw/zinc/98/00/40/387980040.db2.gz XHIJABZSUVWAEF-ZIAGYGMSSA-N 2 2 233.359 2.217 20 0 BEADLP CCSc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423192959 387977487 /nfs/dbraw/zinc/97/74/87/387977487.db2.gz WBMHMGCGWBTUMQ-JTQLQIEISA-N 2 2 224.373 2.408 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1OC(F)F ZINC000423192526 387977900 /nfs/dbraw/zinc/97/79/00/387977900.db2.gz VRBDNKXZNZZLMB-ZETCQYMHSA-N 2 2 248.248 2.036 20 0 BEADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423203776 387989751 /nfs/dbraw/zinc/98/97/51/387989751.db2.gz NKJUADDPMVBGEK-YRGRVCCFSA-N 2 2 230.355 2.495 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 ZINC000423204954 387991378 /nfs/dbraw/zinc/99/13/78/387991378.db2.gz BBTMWALHROUXEE-WDEREUQCSA-N 2 2 210.346 2.151 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424369085 387994394 /nfs/dbraw/zinc/99/43/94/387994394.db2.gz BBEOEHVYCLFBLC-ZOBORPQBSA-N 2 2 234.318 2.093 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196012 387981937 /nfs/dbraw/zinc/98/19/37/387981937.db2.gz UHHHHBGVJIOOFO-YPMHNXCESA-N 2 2 233.359 2.047 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775494 387982672 /nfs/dbraw/zinc/98/26/72/387982672.db2.gz SOSJBCTXEKGYBI-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775494 387982677 /nfs/dbraw/zinc/98/26/77/387982677.db2.gz SOSJBCTXEKGYBI-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775494 387982681 /nfs/dbraw/zinc/98/26/81/387982681.db2.gz SOSJBCTXEKGYBI-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775494 387982685 /nfs/dbraw/zinc/98/26/85/387982685.db2.gz SOSJBCTXEKGYBI-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453089434 387982768 /nfs/dbraw/zinc/98/27/68/387982768.db2.gz XCFWYUBSWOGRCE-CYBMUJFWSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453089434 387982774 /nfs/dbraw/zinc/98/27/74/387982774.db2.gz XCFWYUBSWOGRCE-CYBMUJFWSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424370989 387997762 /nfs/dbraw/zinc/99/77/62/387997762.db2.gz FLTSVVOIFBSSIK-JHJVBQTASA-N 2 2 233.359 2.311 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cs1 ZINC000423214029 387998490 /nfs/dbraw/zinc/99/84/90/387998490.db2.gz ODOBJBDCRMUDAH-KOLCDFICSA-N 2 2 239.388 2.102 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccncc1F ZINC000424374804 388000056 /nfs/dbraw/zinc/00/00/56/388000056.db2.gz LRQQCBTYXIZZQJ-ZWKOPEQDSA-N 2 2 237.322 2.141 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217490 388000408 /nfs/dbraw/zinc/00/04/08/388000408.db2.gz PXKXNTHKFZFLFQ-NXEZZACHSA-N 2 2 219.332 2.192 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423222573 388004820 /nfs/dbraw/zinc/00/48/20/388004820.db2.gz BSEUXTAOJCOLPE-SECBINFHSA-N 2 2 212.724 2.210 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000423225459 388007306 /nfs/dbraw/zinc/00/73/06/388007306.db2.gz MWPDGABBVGDSDL-SNVBAGLBSA-N 2 2 248.326 2.311 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000423225161 388007994 /nfs/dbraw/zinc/00/79/94/388007994.db2.gz LNPDNJPYMQVUPM-SMDDNHRTSA-N 2 2 218.344 2.434 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423226596 388009640 /nfs/dbraw/zinc/00/96/40/388009640.db2.gz RKHRGMRJEZJFIU-NSHDSACASA-N 2 2 222.332 2.102 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423228531 388013532 /nfs/dbraw/zinc/01/35/32/388013532.db2.gz ZZYUOTYZMBTPRE-SECBINFHSA-N 2 2 235.356 2.166 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000423228433 388013728 /nfs/dbraw/zinc/01/37/28/388013728.db2.gz ZPNIUCTWFCJRAH-VIFPVBQESA-N 2 2 224.373 2.107 20 0 BEADLP CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423229103 388015023 /nfs/dbraw/zinc/01/50/23/388015023.db2.gz AHKSAJJTVAGYRT-KGLIPLIRSA-N 2 2 233.359 2.264 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1csc(C)c1 ZINC000423230707 388015053 /nfs/dbraw/zinc/01/50/53/388015053.db2.gz FDFATKUCCOGCIO-SNVBAGLBSA-N 2 2 212.362 2.317 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230159 388015552 /nfs/dbraw/zinc/01/55/52/388015552.db2.gz CTGJHLLFPIAQSF-STQMWFEESA-N 2 2 248.370 2.488 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423242912 388025870 /nfs/dbraw/zinc/02/58/70/388025870.db2.gz JPXPVHDKVRCSPD-CQSZACIVSA-N 2 2 248.370 2.408 20 0 BEADLP Fc1cncc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000423231421 388016529 /nfs/dbraw/zinc/01/65/29/388016529.db2.gz GRXRHNABLXEPEH-KGLIPLIRSA-N 2 2 249.333 2.013 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cs1 ZINC000423234402 388018228 /nfs/dbraw/zinc/01/82/28/388018228.db2.gz LSAPJLQEEWTSTQ-CMPLNLGQSA-N 2 2 224.373 2.459 20 0 BEADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237183 388020565 /nfs/dbraw/zinc/02/05/65/388020565.db2.gz PLWGVBNKRCAESR-YUELXQCFSA-N 2 2 248.370 2.104 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000423243844 388026075 /nfs/dbraw/zinc/02/60/75/388026075.db2.gz KNKCYBBRXMYURY-CQSZACIVSA-N 2 2 248.370 2.408 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423238859 388022528 /nfs/dbraw/zinc/02/25/28/388022528.db2.gz FKXAGAUOIOMEIZ-JTQLQIEISA-N 2 2 212.362 2.317 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423251574 388033833 /nfs/dbraw/zinc/03/38/33/388033833.db2.gz WDLKQBSQIYKXFM-CQSZACIVSA-N 2 2 236.334 2.402 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2C ZINC000423252698 388034942 /nfs/dbraw/zinc/03/49/42/388034942.db2.gz YBDVXNASGIRIOD-CQSZACIVSA-N 2 2 218.344 2.181 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252969 388035268 /nfs/dbraw/zinc/03/52/68/388035268.db2.gz YLOHXBZIOXVPMB-KGLIPLIRSA-N 2 2 218.344 2.465 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423253418 388035569 /nfs/dbraw/zinc/03/55/69/388035569.db2.gz YYXBKVBUPUIIBJ-SMDDNHRTSA-N 2 2 218.344 2.119 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000423253487 388036026 /nfs/dbraw/zinc/03/60/26/388036026.db2.gz ZEQDINPGZJQDMM-CQSZACIVSA-N 2 2 236.359 2.345 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1F ZINC000423259209 388039469 /nfs/dbraw/zinc/03/94/69/388039469.db2.gz DGTSUJIRJDEQOK-GWCFXTLKSA-N 2 2 224.323 2.460 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1F ZINC000423262036 388039695 /nfs/dbraw/zinc/03/96/95/388039695.db2.gz LNCCBZMLHOLBHJ-WDEREUQCSA-N 2 2 239.338 2.245 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423262399 388039822 /nfs/dbraw/zinc/03/98/22/388039822.db2.gz MJFJEPVAIRWMKH-GWCFXTLKSA-N 2 2 239.338 2.245 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1F ZINC000423262035 388039920 /nfs/dbraw/zinc/03/99/20/388039920.db2.gz LNCCBZMLHOLBHJ-QWRGUYRKSA-N 2 2 239.338 2.245 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccnc1 ZINC000423261093 388040402 /nfs/dbraw/zinc/04/04/02/388040402.db2.gz IZGKJAZNEDIHPM-WCQYABFASA-N 2 2 221.348 2.106 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cs1 ZINC000423262022 388040682 /nfs/dbraw/zinc/04/06/82/388040682.db2.gz LLMOZBKLBYGUGM-KOLCDFICSA-N 2 2 241.404 2.476 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nccs1 ZINC000423261134 388041044 /nfs/dbraw/zinc/04/10/44/388041044.db2.gz JDJGJNHBHUIGCB-UWVGGRQHSA-N 2 2 227.377 2.167 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000083055831 388044610 /nfs/dbraw/zinc/04/46/10/388044610.db2.gz GCAUSEZLLDAQHQ-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@H](C)C1 ZINC000082858954 388042977 /nfs/dbraw/zinc/04/29/77/388042977.db2.gz QQEOIGYCDUNGIR-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000261527610 135151851 /nfs/dbraw/zinc/15/18/51/135151851.db2.gz DKCWAALLEKEUSV-NKWVEPMBSA-N 2 2 218.753 2.227 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000423245269 388028192 /nfs/dbraw/zinc/02/81/92/388028192.db2.gz MEMLYPAVGXZMLQ-IUODEOHRSA-N 2 2 232.371 2.427 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423246953 388029668 /nfs/dbraw/zinc/02/96/68/388029668.db2.gz ODXPGMPWBCPBTB-OAHLLOKOSA-N 2 2 248.370 2.272 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423246324 388030160 /nfs/dbraw/zinc/03/01/60/388030160.db2.gz ZDALVIYDAPHWEX-GFCCVEGCSA-N 2 2 236.359 2.264 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccccc21 ZINC000423247021 388030387 /nfs/dbraw/zinc/03/03/87/388030387.db2.gz OPCNPQOIQZDAKT-AWEZNQCLSA-N 2 2 218.344 2.263 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423272502 388051482 /nfs/dbraw/zinc/05/14/82/388051482.db2.gz YYSZZWVXGKNIIS-DGCLKSJQSA-N 2 2 236.359 2.329 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423273053 388052972 /nfs/dbraw/zinc/05/29/72/388052972.db2.gz KFUMAEGUUPYKIQ-YPMHNXCESA-N 2 2 235.375 2.278 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276223 388056094 /nfs/dbraw/zinc/05/60/94/388056094.db2.gz MTHKXZVMFZAQHO-ZWNOBZJWSA-N 2 2 233.359 2.032 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)ccc1F ZINC000423280239 388062065 /nfs/dbraw/zinc/06/20/65/388062065.db2.gz SNXKHGGXOPKAMJ-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(F)c1 ZINC000423283911 388067258 /nfs/dbraw/zinc/06/72/58/388067258.db2.gz FVULRBJNTIUUIP-VIFPVBQESA-N 2 2 240.322 2.222 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423298351 388079467 /nfs/dbraw/zinc/07/94/67/388079467.db2.gz ODIGCBMZMNSSJX-JQWIXIFHSA-N 2 2 239.338 2.389 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423298350 388079836 /nfs/dbraw/zinc/07/98/36/388079836.db2.gz ODIGCBMZMNSSJX-CMPLNLGQSA-N 2 2 239.338 2.389 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453432749 388082087 /nfs/dbraw/zinc/08/20/87/388082087.db2.gz SGAKMQJZWPKWLO-CMPLNLGQSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453432749 388082089 /nfs/dbraw/zinc/08/20/89/388082089.db2.gz SGAKMQJZWPKWLO-CMPLNLGQSA-N 2 2 246.345 2.352 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000447797576 388093875 /nfs/dbraw/zinc/09/38/75/388093875.db2.gz LKPFNNNWJGCOSI-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447797576 388093876 /nfs/dbraw/zinc/09/38/76/388093876.db2.gz LKPFNNNWJGCOSI-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453622940 388094964 /nfs/dbraw/zinc/09/49/64/388094964.db2.gz BANIYTSANNZFQI-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000086471398 388103521 /nfs/dbraw/zinc/10/35/21/388103521.db2.gz RCXGXGMLJQBRKR-RYUDHWBXSA-N 2 2 248.374 2.095 20 0 BEADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086727611 388108289 /nfs/dbraw/zinc/10/82/89/388108289.db2.gz PJPFBBYLJNYXFS-JQWIXIFHSA-N 2 2 234.368 2.175 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000086873174 388109647 /nfs/dbraw/zinc/10/96/47/388109647.db2.gz AEJRQHHOFVODRD-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000423267091 388045284 /nfs/dbraw/zinc/04/52/84/388045284.db2.gz SOPDZPREVNBENQ-NXEZZACHSA-N 2 2 227.377 2.167 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449242802 388162058 /nfs/dbraw/zinc/16/20/58/388162058.db2.gz GQFVPRNVNUKNJJ-AWEZNQCLSA-N 2 2 248.370 2.452 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449242802 388162060 /nfs/dbraw/zinc/16/20/60/388162060.db2.gz GQFVPRNVNUKNJJ-AWEZNQCLSA-N 2 2 248.370 2.452 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000449077653 388140051 /nfs/dbraw/zinc/14/00/51/388140051.db2.gz SIYXSRIZIYAVEY-VXGBXAGGSA-N 2 2 233.315 2.085 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449112572 388144898 /nfs/dbraw/zinc/14/48/98/388144898.db2.gz RTCHTVTUVFYLLM-GFCCVEGCSA-N 2 2 224.348 2.140 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449112572 388144900 /nfs/dbraw/zinc/14/49/00/388144900.db2.gz RTCHTVTUVFYLLM-GFCCVEGCSA-N 2 2 224.348 2.140 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000449135985 388146738 /nfs/dbraw/zinc/14/67/38/388146738.db2.gz SSZYVSOZAVRMFR-NEPJUHHUSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000449135985 388146739 /nfs/dbraw/zinc/14/67/39/388146739.db2.gz SSZYVSOZAVRMFR-NEPJUHHUSA-N 2 2 236.359 2.283 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449138403 388147509 /nfs/dbraw/zinc/14/75/09/388147509.db2.gz BYFGSZXVRJOSSH-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449138403 388147511 /nfs/dbraw/zinc/14/75/11/388147511.db2.gz BYFGSZXVRJOSSH-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449377081 388187217 /nfs/dbraw/zinc/18/72/17/388187217.db2.gz NPDNREOPJRNPCG-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCCC1(F)F ZINC000449377081 388187220 /nfs/dbraw/zinc/18/72/20/388187220.db2.gz NPDNREOPJRNPCG-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP CCC(CC)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000165149835 388250842 /nfs/dbraw/zinc/25/08/42/388250842.db2.gz HHFMIOMQHKIDOG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165159684 388251502 /nfs/dbraw/zinc/25/15/02/388251502.db2.gz GLEBLLLYLRCBRB-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394299 388193072 /nfs/dbraw/zinc/19/30/72/388193072.db2.gz NOTJEGDOJVPLMP-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394299 388193074 /nfs/dbraw/zinc/19/30/74/388193074.db2.gz NOTJEGDOJVPLMP-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395327 388193553 /nfs/dbraw/zinc/19/35/53/388193553.db2.gz IOMWEJIIMJELNF-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395327 388193554 /nfs/dbraw/zinc/19/35/54/388193554.db2.gz IOMWEJIIMJELNF-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398570 388194384 /nfs/dbraw/zinc/19/43/84/388194384.db2.gz VPDOMVXASDOHRR-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398570 388194385 /nfs/dbraw/zinc/19/43/85/388194385.db2.gz VPDOMVXASDOHRR-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2=CCOCC2)c[nH+]1 ZINC000449401598 388195661 /nfs/dbraw/zinc/19/56/61/388195661.db2.gz HTSHMTFIGWXEIJ-UHFFFAOYSA-N 2 2 246.354 2.259 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccsc1 ZINC000313289306 256546207 /nfs/dbraw/zinc/54/62/07/256546207.db2.gz DQHBTWDSZPPBPE-JTQLQIEISA-N 2 2 235.356 2.375 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487331 388216853 /nfs/dbraw/zinc/21/68/53/388216853.db2.gz XYGNNPNLUKCKNB-YPMHNXCESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487331 388216854 /nfs/dbraw/zinc/21/68/54/388216854.db2.gz XYGNNPNLUKCKNB-YPMHNXCESA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000449558683 388231773 /nfs/dbraw/zinc/23/17/73/388231773.db2.gz ZHBDUWOAUUABNX-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557190 388232173 /nfs/dbraw/zinc/23/21/73/388232173.db2.gz QERAUJYTRWBUGQ-KGLIPLIRSA-N 2 2 234.387 2.466 20 0 BEADLP CC[C@H](C)C[N@H+](CC)CCc1c[nH+]cn1C ZINC000459371103 388242988 /nfs/dbraw/zinc/24/29/88/388242988.db2.gz YENLXKPHUXJKMO-LBPRGKRZSA-N 2 2 223.364 2.331 20 0 BEADLP CC[C@H](C)C[N@@H+](CC)CCc1c[nH+]cn1C ZINC000459371103 388242989 /nfs/dbraw/zinc/24/29/89/388242989.db2.gz YENLXKPHUXJKMO-LBPRGKRZSA-N 2 2 223.364 2.331 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000235189509 388365989 /nfs/dbraw/zinc/36/59/89/388365989.db2.gz QAJNVHJQDFVOAG-OCCSQVGLSA-N 2 2 218.344 2.398 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000235148958 388366314 /nfs/dbraw/zinc/36/63/14/388366314.db2.gz ZWGNDGJKPYLBRX-GZMMTYOYSA-N 2 2 240.347 2.299 20 0 BEADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cn1)C[NH+](C)C ZINC000293616273 388390413 /nfs/dbraw/zinc/39/04/13/388390413.db2.gz JJUJGCBHDCXUJA-GHMZBOCLSA-N 2 2 239.338 2.069 20 0 BEADLP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)[N@H+](C)C1CC1 ZINC000327827859 388391153 /nfs/dbraw/zinc/39/11/53/388391153.db2.gz AWIRMTQGRUVOMA-WCQYABFASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](C[NH2+]C[C@@]1(C)CCCS1)[N@@H+](C)C1CC1 ZINC000327827859 388391156 /nfs/dbraw/zinc/39/11/56/388391156.db2.gz AWIRMTQGRUVOMA-WCQYABFASA-N 2 2 242.432 2.344 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300788093 388394083 /nfs/dbraw/zinc/39/40/83/388394083.db2.gz BIUGLSWOCOWCEP-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300788093 388394085 /nfs/dbraw/zinc/39/40/85/388394085.db2.gz BIUGLSWOCOWCEP-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)CF ZINC000290195405 388440615 /nfs/dbraw/zinc/44/06/15/388440615.db2.gz PEQWHHGPHMCIRC-LLVKDONJSA-N 2 2 210.296 2.270 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000336326565 388456316 /nfs/dbraw/zinc/45/63/16/388456316.db2.gz BLLBQDQRYHBCFH-ZJUUUORDSA-N 2 2 221.348 2.291 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000336326565 388456318 /nfs/dbraw/zinc/45/63/18/388456318.db2.gz BLLBQDQRYHBCFH-ZJUUUORDSA-N 2 2 221.348 2.291 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000072357405 388457828 /nfs/dbraw/zinc/45/78/28/388457828.db2.gz GIPXAGUSCHQDRZ-CQSZACIVSA-N 2 2 242.326 2.152 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000072357405 388457831 /nfs/dbraw/zinc/45/78/31/388457831.db2.gz GIPXAGUSCHQDRZ-CQSZACIVSA-N 2 2 242.326 2.152 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000072357406 388457983 /nfs/dbraw/zinc/45/79/83/388457983.db2.gz GIPXAGUSCHQDRZ-AWEZNQCLSA-N 2 2 242.326 2.152 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000072357406 388457984 /nfs/dbraw/zinc/45/79/84/388457984.db2.gz GIPXAGUSCHQDRZ-AWEZNQCLSA-N 2 2 242.326 2.152 20 0 BEADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCC2(C)C)CCSC1 ZINC000336674628 388462778 /nfs/dbraw/zinc/46/27/78/388462778.db2.gz AWXLNJYFMBWHDA-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336703113 388464935 /nfs/dbraw/zinc/46/49/35/388464935.db2.gz QIJWIZOSUYZRHM-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336703113 388464937 /nfs/dbraw/zinc/46/49/37/388464937.db2.gz QIJWIZOSUYZRHM-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CC2)CC1 ZINC000134673090 388478826 /nfs/dbraw/zinc/47/88/26/388478826.db2.gz DFDNPDUBNQZPAX-UHFFFAOYSA-N 2 2 236.281 2.155 20 0 BEADLP Cc1cc(C[NH2+]CCCc2c[nH+]ccc2C)no1 ZINC000573139990 388424008 /nfs/dbraw/zinc/42/40/08/388424008.db2.gz VOPTYEWJVLKYES-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP CCc1cc(NCCCn2cc[nH+]c2)cc[nH+]1 ZINC000307778502 388426993 /nfs/dbraw/zinc/42/69/93/388426993.db2.gz VZWMGYANLBHBKP-UHFFFAOYSA-N 2 2 230.315 2.343 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCC1 ZINC000322559809 388439100 /nfs/dbraw/zinc/43/91/00/388439100.db2.gz RDEGXMGPTRGXEQ-ZDUSSCGKSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000322563748 388439161 /nfs/dbraw/zinc/43/91/61/388439161.db2.gz XQHZRIJYIYZICP-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000322563748 388439164 /nfs/dbraw/zinc/43/91/64/388439164.db2.gz XQHZRIJYIYZICP-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2C)n1C ZINC000520839947 388543784 /nfs/dbraw/zinc/54/37/84/388543784.db2.gz XZGZZTVWDVNRDO-MFKMUULPSA-N 2 2 221.348 2.397 20 0 BEADLP CCC[C@@H](C)C[N@@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378739831 388493404 /nfs/dbraw/zinc/49/34/04/388493404.db2.gz OOSQZBZMGFRFAJ-WOPDTQHZSA-N 2 2 216.344 2.054 20 0 BEADLP CCC[C@@H](C)C[N@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378739831 388493406 /nfs/dbraw/zinc/49/34/06/388493406.db2.gz OOSQZBZMGFRFAJ-WOPDTQHZSA-N 2 2 216.344 2.054 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1CC1(C)C ZINC000397741341 388495606 /nfs/dbraw/zinc/49/56/06/388495606.db2.gz NCMFDKVBQGKNBY-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000397873772 388507897 /nfs/dbraw/zinc/50/78/97/388507897.db2.gz GTUOEYHDAXQDFA-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000397872238 388508232 /nfs/dbraw/zinc/50/82/32/388508232.db2.gz TWNDSRLWIVAYEY-CQSZACIVSA-N 2 2 248.345 2.497 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397984835 388513641 /nfs/dbraw/zinc/51/36/41/388513641.db2.gz MBADFFGHOQCZSQ-GFCCVEGCSA-N 2 2 236.359 2.285 20 0 BEADLP CCc1ncc(C[N@H+](C)CCC[NH+](C)C)s1 ZINC000516879357 388522214 /nfs/dbraw/zinc/52/22/14/388522214.db2.gz ZLDKQXJINQJAOA-UHFFFAOYSA-N 2 2 241.404 2.089 20 0 BEADLP CCc1ncc(C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000516879357 388522218 /nfs/dbraw/zinc/52/22/18/388522218.db2.gz ZLDKQXJINQJAOA-UHFFFAOYSA-N 2 2 241.404 2.089 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C2CC2)C2CC2)n1C ZINC000520839481 256818636 /nfs/dbraw/zinc/81/86/36/256818636.db2.gz GSDVHSSOEAIYQK-UHFFFAOYSA-N 2 2 219.332 2.007 20 0 BEADLP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)s1 ZINC000261529654 388529325 /nfs/dbraw/zinc/52/93/25/388529325.db2.gz BGNSDFDECRGYPH-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)s1 ZINC000261529654 388529327 /nfs/dbraw/zinc/52/93/27/388529327.db2.gz BGNSDFDECRGYPH-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC1(C)C ZINC000516978410 388529959 /nfs/dbraw/zinc/52/99/59/388529959.db2.gz FMKFBRBGXAZHLE-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC1(C)C ZINC000516978410 388529962 /nfs/dbraw/zinc/52/99/62/388529962.db2.gz FMKFBRBGXAZHLE-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245744282 388602584 /nfs/dbraw/zinc/60/25/84/388602584.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245744282 388602585 /nfs/dbraw/zinc/60/25/85/388602585.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744282 388602586 /nfs/dbraw/zinc/60/25/86/388602586.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245744282 388602588 /nfs/dbraw/zinc/60/25/88/388602588.db2.gz MLQYUQGDLANSLB-SWLSCSKDSA-N 2 2 247.386 2.305 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000379276616 388604229 /nfs/dbraw/zinc/60/42/29/388604229.db2.gz ZZWROQGVFAZDQG-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000379276616 388604232 /nfs/dbraw/zinc/60/42/32/388604232.db2.gz ZZWROQGVFAZDQG-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CN(C)c1ccc(Cn2cc[nH+]c2C2CC2)c[nH+]1 ZINC000530130526 388615285 /nfs/dbraw/zinc/61/52/85/388615285.db2.gz SVQJGUOVRQDPCG-UHFFFAOYSA-N 2 2 242.326 2.270 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000184302840 388575895 /nfs/dbraw/zinc/57/58/95/388575895.db2.gz DDZJNWRVHPHAEK-TZMCWYRMSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000184302840 388575897 /nfs/dbraw/zinc/57/58/97/388575897.db2.gz DDZJNWRVHPHAEK-TZMCWYRMSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000184302801 388576011 /nfs/dbraw/zinc/57/60/11/388576011.db2.gz DDZJNWRVHPHAEK-OCCSQVGLSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000184302801 388576013 /nfs/dbraw/zinc/57/60/13/388576013.db2.gz DDZJNWRVHPHAEK-OCCSQVGLSA-N 2 2 233.359 2.135 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000224543559 388666664 /nfs/dbraw/zinc/66/66/64/388666664.db2.gz WJAYDWJDVBWZJV-OSMZGAPFSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000224543559 388666666 /nfs/dbraw/zinc/66/66/66/388666666.db2.gz WJAYDWJDVBWZJV-OSMZGAPFSA-N 2 2 222.376 2.390 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000552098582 388669133 /nfs/dbraw/zinc/66/91/33/388669133.db2.gz IJRHYADKCQAJFC-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000552098582 388669136 /nfs/dbraw/zinc/66/91/36/388669136.db2.gz IJRHYADKCQAJFC-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000552098580 388669833 /nfs/dbraw/zinc/66/98/33/388669833.db2.gz IJRHYADKCQAJFC-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000552098580 388669835 /nfs/dbraw/zinc/66/98/35/388669835.db2.gz IJRHYADKCQAJFC-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)([NH2+]CC[NH3+])c1nc2ccccc2s1 ZINC000530222302 388633006 /nfs/dbraw/zinc/63/30/06/388633006.db2.gz IJVQVHXLJCNZCL-UHFFFAOYSA-N 2 2 235.356 2.080 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000539218645 388750549 /nfs/dbraw/zinc/75/05/49/388750549.db2.gz UKNDXUHMCYIIHB-BPLDGKMQSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000539218645 388750552 /nfs/dbraw/zinc/75/05/52/388750552.db2.gz UKNDXUHMCYIIHB-BPLDGKMQSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@@H+]1C1CC1 ZINC000128368300 388751171 /nfs/dbraw/zinc/75/11/71/388751171.db2.gz ZAPIICCKTYAGEU-NWDGAFQWSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@H+]1C1CC1 ZINC000128368300 388751173 /nfs/dbraw/zinc/75/11/73/388751173.db2.gz ZAPIICCKTYAGEU-NWDGAFQWSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000227605726 388753498 /nfs/dbraw/zinc/75/34/98/388753498.db2.gz GNCMUZWSUWGTTG-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252713559 388775440 /nfs/dbraw/zinc/77/54/40/388775440.db2.gz PNDDAGVYORALHA-MDZLAQPJSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252713559 388775444 /nfs/dbraw/zinc/77/54/44/388775444.db2.gz PNDDAGVYORALHA-MDZLAQPJSA-N 2 2 222.376 2.390 20 0 BEADLP Cc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)cc[nH+]1 ZINC000128662981 388783729 /nfs/dbraw/zinc/78/37/29/388783729.db2.gz GYBRVDWQBFKFKN-SNVBAGLBSA-N 2 2 236.363 2.173 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000229293756 388784205 /nfs/dbraw/zinc/78/42/05/388784205.db2.gz ZTXCKJDRDJXPPM-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000250303584 388787294 /nfs/dbraw/zinc/78/72/94/388787294.db2.gz ZCSBFTSDRFTJLR-WDNDVIMCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1C1CC1 ZINC000554658032 388825266 /nfs/dbraw/zinc/82/52/66/388825266.db2.gz WYSQNCODKGTYHZ-NUNXZZDCSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@H+]1C1CC1 ZINC000554658032 388825269 /nfs/dbraw/zinc/82/52/69/388825269.db2.gz WYSQNCODKGTYHZ-NUNXZZDCSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424192120 533659638 /nfs/dbraw/zinc/65/96/38/533659638.db2.gz INDOGOOBXBHLLE-WAZAZEMKSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424192120 533659639 /nfs/dbraw/zinc/65/96/39/533659639.db2.gz INDOGOOBXBHLLE-WAZAZEMKSA-N 2 2 234.387 2.390 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000268318487 132192566 /nfs/dbraw/zinc/19/25/66/132192566.db2.gz MDSUPVYNJRGOCA-CYBMUJFWSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000268318487 132192569 /nfs/dbraw/zinc/19/25/69/132192569.db2.gz MDSUPVYNJRGOCA-CYBMUJFWSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000269202205 132194064 /nfs/dbraw/zinc/19/40/64/132194064.db2.gz YYPGVHLJSFNNAR-UHFFFAOYSA-N 2 2 242.326 2.497 20 0 BEADLP Cc1cccc(N2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000274587147 132203168 /nfs/dbraw/zinc/20/31/68/132203168.db2.gz JACDTVSZRPODRV-UHFFFAOYSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000094342809 132312108 /nfs/dbraw/zinc/31/21/08/132312108.db2.gz KPYZFIAUQCJZJR-ZYHUDNBSSA-N 2 2 248.374 2.082 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(O)c1 ZINC000335498355 133867706 /nfs/dbraw/zinc/86/77/06/133867706.db2.gz KONFWDHBVWYSKB-DGCLKSJQSA-N 2 2 234.343 2.185 20 0 BEADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)CC12CCC2 ZINC000335947462 134020265 /nfs/dbraw/zinc/02/02/65/134020265.db2.gz YQNGVEBVIJBIRM-ZDUSSCGKSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)CC12CCC2 ZINC000335947462 134020266 /nfs/dbraw/zinc/02/02/66/134020266.db2.gz YQNGVEBVIJBIRM-ZDUSSCGKSA-N 2 2 233.359 2.395 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000335997005 134042431 /nfs/dbraw/zinc/04/24/31/134042431.db2.gz AKEGCFXOLUIKLI-GFCCVEGCSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000335997005 134042432 /nfs/dbraw/zinc/04/24/32/134042432.db2.gz AKEGCFXOLUIKLI-GFCCVEGCSA-N 2 2 233.359 2.400 20 0 BEADLP Fc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336004786 134048650 /nfs/dbraw/zinc/04/86/50/134048650.db2.gz AUIXBTIILRFJLE-LLVKDONJSA-N 2 2 245.301 2.196 20 0 BEADLP Fc1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336004786 134048651 /nfs/dbraw/zinc/04/86/51/134048651.db2.gz AUIXBTIILRFJLE-LLVKDONJSA-N 2 2 245.301 2.196 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000336126165 134093179 /nfs/dbraw/zinc/09/31/79/134093179.db2.gz MSRBQGLWDHWOFF-OCCSQVGLSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000336126165 134093180 /nfs/dbraw/zinc/09/31/80/134093180.db2.gz MSRBQGLWDHWOFF-OCCSQVGLSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000336126165 134093181 /nfs/dbraw/zinc/09/31/81/134093181.db2.gz MSRBQGLWDHWOFF-OCCSQVGLSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000336126165 134093182 /nfs/dbraw/zinc/09/31/82/134093182.db2.gz MSRBQGLWDHWOFF-OCCSQVGLSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1F ZINC000168823165 134247182 /nfs/dbraw/zinc/24/71/82/134247182.db2.gz GQAWKAGYAKMRAS-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1F ZINC000168823165 134247183 /nfs/dbraw/zinc/24/71/83/134247183.db2.gz GQAWKAGYAKMRAS-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP CCCC(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000168882398 134247453 /nfs/dbraw/zinc/24/74/53/134247453.db2.gz UMCDUGUCUNKPJT-UHFFFAOYSA-N 2 2 238.379 2.154 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1COc2ccccc21 ZINC000179006162 134313980 /nfs/dbraw/zinc/31/39/80/134313980.db2.gz UFBCKMCCEKIMKY-GWCFXTLKSA-N 2 2 243.310 2.064 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221148521 134317139 /nfs/dbraw/zinc/31/71/39/134317139.db2.gz DDRSFKVNRRHGKQ-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221148521 134317140 /nfs/dbraw/zinc/31/71/40/134317140.db2.gz DDRSFKVNRRHGKQ-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221671404 134325806 /nfs/dbraw/zinc/32/58/06/134325806.db2.gz FWRUEMHSSOOAQD-QJPTWQEYSA-N 2 2 210.365 2.390 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221671404 134325807 /nfs/dbraw/zinc/32/58/07/134325807.db2.gz FWRUEMHSSOOAQD-QJPTWQEYSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[NH+](C)C ZINC000222010617 134328735 /nfs/dbraw/zinc/32/87/35/134328735.db2.gz TZLSQXWXOVWFIB-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)CCOCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224841946 134348729 /nfs/dbraw/zinc/34/87/29/134348729.db2.gz PKLIUICBXOBXRA-UONOGXRCSA-N 2 2 242.407 2.108 20 0 BEADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000227375349 134379528 /nfs/dbraw/zinc/37/95/28/134379528.db2.gz LMZOQWJLMQYUEL-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000227375349 134379529 /nfs/dbraw/zinc/37/95/29/134379529.db2.gz LMZOQWJLMQYUEL-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872749 134391594 /nfs/dbraw/zinc/39/15/94/134391594.db2.gz KEOSFXXPTMGLCS-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872749 134391595 /nfs/dbraw/zinc/39/15/95/134391595.db2.gz KEOSFXXPTMGLCS-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC(CCC)[NH2+][C@H](C)C[NH+](C)C ZINC000130065377 134616328 /nfs/dbraw/zinc/61/63/28/134616328.db2.gz HBMZLFZQFUNFOV-LLVKDONJSA-N 2 2 200.370 2.495 20 0 BEADLP CC(C)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000236711029 134835111 /nfs/dbraw/zinc/83/51/11/134835111.db2.gz YRISBRSGYQEUEB-AWEZNQCLSA-N 2 2 220.360 2.157 20 0 BEADLP CC[C@H](C)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245538946 134857117 /nfs/dbraw/zinc/85/71/17/134857117.db2.gz NLJCCVYFIYIETB-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[C@@H](CC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070144051 134909952 /nfs/dbraw/zinc/90/99/52/134909952.db2.gz CZVHKFCRVAOYNF-LLVKDONJSA-N 2 2 238.379 2.154 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642979 135000029 /nfs/dbraw/zinc/00/00/29/135000029.db2.gz PLEGCUOLAORZRG-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070643609 135001325 /nfs/dbraw/zinc/00/13/25/135001325.db2.gz BQEXHZMYFCZFFR-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)CC1 ZINC000251574192 135071860 /nfs/dbraw/zinc/07/18/60/135071860.db2.gz AULLSDBXLWOAOU-STQMWFEESA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C)CC1 ZINC000251574192 135071862 /nfs/dbraw/zinc/07/18/62/135071862.db2.gz AULLSDBXLWOAOU-STQMWFEESA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000251826438 135077532 /nfs/dbraw/zinc/07/75/32/135077532.db2.gz NCZOFTCWJOIWLV-UMSGYPCISA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000251914694 135081052 /nfs/dbraw/zinc/08/10/52/135081052.db2.gz XYTVCYDNJUOPMY-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[NH+](C)C ZINC000252183757 135086704 /nfs/dbraw/zinc/08/67/04/135086704.db2.gz TZLSQXWXOVWFIB-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252431793 135089225 /nfs/dbraw/zinc/08/92/25/135089225.db2.gz PVXLRVINYJDZSY-JHJVBQTASA-N 2 2 221.348 2.440 20 0 BEADLP C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000252458121 135090055 /nfs/dbraw/zinc/09/00/55/135090055.db2.gz MJTSFNZVPVQIAI-QNWHQSFQSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086725085 135095057 /nfs/dbraw/zinc/09/50/57/135095057.db2.gz FQEXFUBJQIJQKT-CABZTGNLSA-N 2 2 224.735 2.353 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000086725236 135095155 /nfs/dbraw/zinc/09/51/55/135095155.db2.gz JVINQPUIGCVWCU-NEPJUHHUSA-N 2 2 204.317 2.008 20 0 BEADLP COc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1Cl ZINC000259953417 135106029 /nfs/dbraw/zinc/10/60/29/135106029.db2.gz GVGULYWYRGNFDP-SECBINFHSA-N 2 2 242.750 2.128 20 0 BEADLP COc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1Cl ZINC000259953417 135106030 /nfs/dbraw/zinc/10/60/30/135106030.db2.gz GVGULYWYRGNFDP-SECBINFHSA-N 2 2 242.750 2.128 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252742012 135106684 /nfs/dbraw/zinc/10/66/84/135106684.db2.gz WKANVBQZUZXXCF-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252742012 135106685 /nfs/dbraw/zinc/10/66/85/135106685.db2.gz WKANVBQZUZXXCF-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261546376 135109112 /nfs/dbraw/zinc/10/91/12/135109112.db2.gz KZASRIVUFKGGFC-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261546376 135109113 /nfs/dbraw/zinc/10/91/13/135109113.db2.gz KZASRIVUFKGGFC-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000252888908 135116187 /nfs/dbraw/zinc/11/61/87/135116187.db2.gz BYFHNPHPLUQZHS-CMPLNLGQSA-N 2 2 224.373 2.178 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000252888908 135116189 /nfs/dbraw/zinc/11/61/89/135116189.db2.gz BYFHNPHPLUQZHS-CMPLNLGQSA-N 2 2 224.373 2.178 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252947627 135117386 /nfs/dbraw/zinc/11/73/86/135117386.db2.gz AMTQYTNSLAVMFY-MJBXVCDLSA-N 2 2 242.407 2.168 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252971916 135118449 /nfs/dbraw/zinc/11/84/49/135118449.db2.gz YTINUBKSFXQFMP-FQUUOJAGSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000261545318 135142265 /nfs/dbraw/zinc/14/22/65/135142265.db2.gz FXPJGRODVDSDKM-MRVPVSSYSA-N 2 2 248.248 2.022 20 0 BEADLP [NH3+]CC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000259259306 135142770 /nfs/dbraw/zinc/14/27/70/135142770.db2.gz XGAVAZLAWTYVIM-UHFFFAOYSA-N 2 2 236.334 2.039 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000261533258 135164056 /nfs/dbraw/zinc/16/40/56/135164056.db2.gz AYGCIBGZDZTDNP-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000261533258 135164057 /nfs/dbraw/zinc/16/40/57/135164057.db2.gz AYGCIBGZDZTDNP-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261536676 135172056 /nfs/dbraw/zinc/17/20/56/135172056.db2.gz SLYLHOBMMRBMEM-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261541792 135181758 /nfs/dbraw/zinc/18/17/58/135181758.db2.gz BKYVYXSHVLRVES-BXUZGUMPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261541792 135181760 /nfs/dbraw/zinc/18/17/60/135181760.db2.gz BKYVYXSHVLRVES-BXUZGUMPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ncsc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000084149538 135188378 /nfs/dbraw/zinc/18/83/78/135188378.db2.gz PRBUBWTUBUPDTO-KOLCDFICSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000084149538 135188380 /nfs/dbraw/zinc/18/83/80/135188380.db2.gz PRBUBWTUBUPDTO-KOLCDFICSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cn[nH]c1 ZINC000261554416 135193518 /nfs/dbraw/zinc/19/35/18/135193518.db2.gz AXXXJVPQINOGHG-QCZZGDTMSA-N 2 2 242.326 2.205 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000261558440 135199364 /nfs/dbraw/zinc/19/93/64/135199364.db2.gz SKDNKGPULNYEMB-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000261558440 135199365 /nfs/dbraw/zinc/19/93/65/135199365.db2.gz SKDNKGPULNYEMB-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000261559751 135200030 /nfs/dbraw/zinc/20/00/30/135200030.db2.gz UABZWXULJZPAOS-ZDUSSCGKSA-N 2 2 242.313 2.428 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261561342 135202797 /nfs/dbraw/zinc/20/27/97/135202797.db2.gz FWUHTFLRSKVFKK-DOMZBBRYSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261561342 135202798 /nfs/dbraw/zinc/20/27/98/135202798.db2.gz FWUHTFLRSKVFKK-DOMZBBRYSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261561345 135202974 /nfs/dbraw/zinc/20/29/74/135202974.db2.gz FWUHTFLRSKVFKK-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261561345 135202975 /nfs/dbraw/zinc/20/29/75/135202975.db2.gz FWUHTFLRSKVFKK-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP Cc1cc[nH+]c(NCC2([NH3+])CCCCC2)c1 ZINC000261562383 135203891 /nfs/dbraw/zinc/20/38/91/135203891.db2.gz BGJIWPBUHJGLKD-UHFFFAOYSA-N 2 2 219.332 2.464 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000261563366 135205038 /nfs/dbraw/zinc/20/50/38/135205038.db2.gz WZKIMYUHEOLYHZ-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000261563366 135205039 /nfs/dbraw/zinc/20/50/39/135205039.db2.gz WZKIMYUHEOLYHZ-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000261565719 135207675 /nfs/dbraw/zinc/20/76/75/135207675.db2.gz DDDIEMODFKSLBO-OLZOCXBDSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000261582051 135222735 /nfs/dbraw/zinc/22/27/35/135222735.db2.gz OAFRXRSUELQBJK-DTWKUNHWSA-N 2 2 228.286 2.305 20 0 BEADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000261582051 135222737 /nfs/dbraw/zinc/22/27/37/135222737.db2.gz OAFRXRSUELQBJK-DTWKUNHWSA-N 2 2 228.286 2.305 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)ccc1F ZINC000261587907 135228417 /nfs/dbraw/zinc/22/84/17/135228417.db2.gz RYIZNGLZYBMUTP-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)ccc1F ZINC000261587907 135228418 /nfs/dbraw/zinc/22/84/18/135228418.db2.gz RYIZNGLZYBMUTP-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP [NH3+]CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000261588877 135229089 /nfs/dbraw/zinc/22/90/89/135229089.db2.gz SSEIDVSQLIMENN-AWEZNQCLSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+]CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000261588877 135229091 /nfs/dbraw/zinc/22/90/91/135229091.db2.gz SSEIDVSQLIMENN-AWEZNQCLSA-N 2 2 216.328 2.097 20 0 BEADLP C[C@@H]1C[N@H+](CC[NH3+])CC[C@@H]1c1ccccc1 ZINC000261589933 135231360 /nfs/dbraw/zinc/23/13/60/135231360.db2.gz UERRWLRDTLIVAP-OCCSQVGLSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@@H]1C[N@@H+](CC[NH3+])CC[C@@H]1c1ccccc1 ZINC000261589933 135231361 /nfs/dbraw/zinc/23/13/61/135231361.db2.gz UERRWLRDTLIVAP-OCCSQVGLSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@H]1C[N@H+](CC[NH3+])CC[C@@H]1c1ccccc1 ZINC000261589932 135231395 /nfs/dbraw/zinc/23/13/95/135231395.db2.gz UERRWLRDTLIVAP-JSGCOSHPSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@H]1C[N@@H+](CC[NH3+])CC[C@@H]1c1ccccc1 ZINC000261589932 135231397 /nfs/dbraw/zinc/23/13/97/135231397.db2.gz UERRWLRDTLIVAP-JSGCOSHPSA-N 2 2 218.344 2.071 20 0 BEADLP CSc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261599686 135237883 /nfs/dbraw/zinc/23/78/83/135237883.db2.gz ZWWDSWGKPXJPPA-GWCFXTLKSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261599686 135237884 /nfs/dbraw/zinc/23/78/84/135237884.db2.gz ZWWDSWGKPXJPPA-GWCFXTLKSA-N 2 2 236.384 2.330 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261546812 135239402 /nfs/dbraw/zinc/23/94/02/135239402.db2.gz LHAIVGPHZBVUJB-GFCCVEGCSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261546812 135239403 /nfs/dbraw/zinc/23/94/03/135239403.db2.gz LHAIVGPHZBVUJB-GFCCVEGCSA-N 2 2 212.381 2.482 20 0 BEADLP FC(F)[C@@H]1C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342233023 135254461 /nfs/dbraw/zinc/25/44/61/135254461.db2.gz OQNKVAGSZUEHJX-ZJUUUORDSA-N 2 2 237.253 2.078 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000261833659 135255806 /nfs/dbraw/zinc/25/58/06/135255806.db2.gz JFPOIELVHUYMJJ-FZMZJTMJSA-N 2 2 236.334 2.223 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000261833659 135255807 /nfs/dbraw/zinc/25/58/07/135255807.db2.gz JFPOIELVHUYMJJ-FZMZJTMJSA-N 2 2 236.334 2.223 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCSCc1ccccc1 ZINC000261942853 135265377 /nfs/dbraw/zinc/26/53/77/135265377.db2.gz MWJGLVDZLCMXIH-LBPRGKRZSA-N 2 2 238.400 2.199 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCSCc1ccccc1 ZINC000261942853 135265379 /nfs/dbraw/zinc/26/53/79/135265379.db2.gz MWJGLVDZLCMXIH-LBPRGKRZSA-N 2 2 238.400 2.199 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261954999 135266406 /nfs/dbraw/zinc/26/64/06/135266406.db2.gz GPFOIKANUGYLGQ-TZMCWYRMSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261954999 135266407 /nfs/dbraw/zinc/26/64/07/135266407.db2.gz GPFOIKANUGYLGQ-TZMCWYRMSA-N 2 2 248.370 2.253 20 0 BEADLP COc1c(C)cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000262041051 135274652 /nfs/dbraw/zinc/27/46/52/135274652.db2.gz PCSYOQKPOSPLLK-JSGCOSHPSA-N 2 2 248.370 2.091 20 0 BEADLP COc1c(C)cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000262041051 135274653 /nfs/dbraw/zinc/27/46/53/135274653.db2.gz PCSYOQKPOSPLLK-JSGCOSHPSA-N 2 2 248.370 2.091 20 0 BEADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000263037098 135328393 /nfs/dbraw/zinc/32/83/93/135328393.db2.gz SLTKIZOQMFVHDL-CYBMUJFWSA-N 2 2 222.307 2.311 20 0 BEADLP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000263037098 135328395 /nfs/dbraw/zinc/32/83/95/135328395.db2.gz SLTKIZOQMFVHDL-CYBMUJFWSA-N 2 2 222.307 2.311 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)[nH]1 ZINC000334223915 135328747 /nfs/dbraw/zinc/32/87/47/135328747.db2.gz AESXHLSOSMVKKD-STQMWFEESA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)[nH]1 ZINC000334223915 135328748 /nfs/dbraw/zinc/32/87/48/135328748.db2.gz AESXHLSOSMVKKD-STQMWFEESA-N 2 2 249.358 2.016 20 0 BEADLP Cc1cc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc[nH+]1 ZINC000263079304 135331316 /nfs/dbraw/zinc/33/13/16/135331316.db2.gz XJABYFRCFZNTDT-JSGCOSHPSA-N 2 2 247.342 2.236 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000342948001 135337730 /nfs/dbraw/zinc/33/77/30/135337730.db2.gz UTSUCKLFIHSRAX-HIFRSBDPSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000342948001 135337732 /nfs/dbraw/zinc/33/77/32/135337732.db2.gz UTSUCKLFIHSRAX-HIFRSBDPSA-N 2 2 232.371 2.159 20 0 BEADLP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000164488177 135370453 /nfs/dbraw/zinc/37/04/53/135370453.db2.gz KOYWOJNTSUNJNL-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299916231 135381621 /nfs/dbraw/zinc/38/16/21/135381621.db2.gz HDVBUHSGRUAXCF-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299916231 135381622 /nfs/dbraw/zinc/38/16/22/135381622.db2.gz HDVBUHSGRUAXCF-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](C)[NH3+])CCC2 ZINC000334386345 135381999 /nfs/dbraw/zinc/38/19/99/135381999.db2.gz NPHJEZVHSZWWQY-KCJUWKMLSA-N 2 2 239.388 2.108 20 0 BEADLP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](C)[NH3+])CCC2 ZINC000334386345 135382001 /nfs/dbraw/zinc/38/20/01/135382001.db2.gz NPHJEZVHSZWWQY-KCJUWKMLSA-N 2 2 239.388 2.108 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334395432 135387328 /nfs/dbraw/zinc/38/73/28/135387328.db2.gz BKPZSVZERJKSKQ-GHMZBOCLSA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334395432 135387329 /nfs/dbraw/zinc/38/73/29/135387329.db2.gz BKPZSVZERJKSKQ-GHMZBOCLSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000334402558 135391064 /nfs/dbraw/zinc/39/10/64/135391064.db2.gz ZQUBYVPJKRPBRY-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000334402558 135391066 /nfs/dbraw/zinc/39/10/66/135391066.db2.gz ZQUBYVPJKRPBRY-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000334402553 135391206 /nfs/dbraw/zinc/39/12/06/135391206.db2.gz ZQUBYVPJKRPBRY-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000334402553 135391207 /nfs/dbraw/zinc/39/12/07/135391207.db2.gz ZQUBYVPJKRPBRY-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([N@H+](C)CCc1c[nH+]cn1C)C1(C)CC1 ZINC000347738143 136005112 /nfs/dbraw/zinc/00/51/12/136005112.db2.gz QKTCDACNNCGYOF-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]([N@@H+](C)CCc1c[nH+]cn1C)C1(C)CC1 ZINC000347738143 136005113 /nfs/dbraw/zinc/00/51/13/136005113.db2.gz QKTCDACNNCGYOF-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347786780 136009633 /nfs/dbraw/zinc/00/96/33/136009633.db2.gz PLLMNYFNVJLPSP-SNVBAGLBSA-N 2 2 239.388 2.047 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347786780 136009634 /nfs/dbraw/zinc/00/96/34/136009634.db2.gz PLLMNYFNVJLPSP-SNVBAGLBSA-N 2 2 239.388 2.047 20 0 BEADLP CO[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347856389 136015951 /nfs/dbraw/zinc/01/59/51/136015951.db2.gz NCOWQDBBOAJAJT-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP CO[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347856389 136015952 /nfs/dbraw/zinc/01/59/52/136015952.db2.gz NCOWQDBBOAJAJT-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311684 136030211 /nfs/dbraw/zinc/03/02/11/136030211.db2.gz MXTDUHIUEMYIQK-RISCZKNCSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311684 136030212 /nfs/dbraw/zinc/03/02/12/136030212.db2.gz MXTDUHIUEMYIQK-RISCZKNCSA-N 2 2 244.338 2.473 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](C)(O)C1CC1 ZINC000348051494 136031201 /nfs/dbraw/zinc/03/12/01/136031201.db2.gz WXRNLIHOBIADFB-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP C/C=C\C[C@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348175432 136042814 /nfs/dbraw/zinc/04/28/14/136042814.db2.gz RHEBJUOZZCJASU-ABCZVMIZSA-N 2 2 248.370 2.239 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[C@H](C)O ZINC000348219092 136046730 /nfs/dbraw/zinc/04/67/30/136046730.db2.gz KTWVQZSJALWDSS-OLZOCXBDSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000348188538 136048783 /nfs/dbraw/zinc/04/87/83/136048783.db2.gz SMESJMCEBVCYQH-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000348188538 136048784 /nfs/dbraw/zinc/04/87/84/136048784.db2.gz SMESJMCEBVCYQH-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000348335500 136075757 /nfs/dbraw/zinc/07/57/57/136075757.db2.gz QTXFYYHMXCKVJL-AEGPPILISA-N 2 2 232.371 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348410343 136077651 /nfs/dbraw/zinc/07/76/51/136077651.db2.gz OKQUCQLOMWUQFQ-YPMHNXCESA-N 2 2 240.366 2.341 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000348410343 136077652 /nfs/dbraw/zinc/07/76/52/136077652.db2.gz OKQUCQLOMWUQFQ-YPMHNXCESA-N 2 2 240.366 2.341 20 0 BEADLP CO[C@H]1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000348441131 136078449 /nfs/dbraw/zinc/07/84/49/136078449.db2.gz SUJIZDLUBLTIAM-GJZGRUSLSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)cn1 ZINC000335568367 136108325 /nfs/dbraw/zinc/10/83/25/136108325.db2.gz KVKGYFPBIZUTAM-SECBINFHSA-N 2 2 239.750 2.138 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001647000409 1172748490 /nfs/dbraw/zinc/74/84/90/1172748490.db2.gz LKWXOTCNEOJPTO-TZMCWYRMSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001647000409 1172748494 /nfs/dbraw/zinc/74/84/94/1172748494.db2.gz LKWXOTCNEOJPTO-TZMCWYRMSA-N 2 2 233.359 2.227 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000182676238 397863019 /nfs/dbraw/zinc/86/30/19/397863019.db2.gz TYIABBAQGSFLIF-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000182676238 397863026 /nfs/dbraw/zinc/86/30/26/397863026.db2.gz TYIABBAQGSFLIF-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP Cc1ccncc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000269617643 397958293 /nfs/dbraw/zinc/95/82/93/397958293.db2.gz RQIXXATYNYXPEO-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccncc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000269617643 397958297 /nfs/dbraw/zinc/95/82/97/397958297.db2.gz RQIXXATYNYXPEO-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccncc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000269617643 397958299 /nfs/dbraw/zinc/95/82/99/397958299.db2.gz RQIXXATYNYXPEO-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccncc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000269617643 397958302 /nfs/dbraw/zinc/95/83/02/397958302.db2.gz RQIXXATYNYXPEO-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537854 397918340 /nfs/dbraw/zinc/91/83/40/397918340.db2.gz SHYMVBIRMOUXHS-NDKCEZKHSA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643538486 397918406 /nfs/dbraw/zinc/91/84/06/397918406.db2.gz LENMAQXVEAUEKI-RWMBFGLXSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537860 397918536 /nfs/dbraw/zinc/91/85/36/397918536.db2.gz SJGSOMOHQRPWRD-FPYNETTCSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537936 397919099 /nfs/dbraw/zinc/91/90/99/397919099.db2.gz VBTRGFVQACEENB-GVUJHPQVSA-N 2 2 248.345 2.210 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000274675063 398012951 /nfs/dbraw/zinc/01/29/51/398012951.db2.gz YRFAXPNPUQMIPO-STQMWFEESA-N 2 2 244.342 2.326 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC(F)(F)C1 ZINC000649695156 398043104 /nfs/dbraw/zinc/04/31/04/398043104.db2.gz KBOHLXNDLRVFJN-UHFFFAOYSA-N 2 2 243.301 2.313 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC(F)(F)C1 ZINC000649695156 398043107 /nfs/dbraw/zinc/04/31/07/398043107.db2.gz KBOHLXNDLRVFJN-UHFFFAOYSA-N 2 2 243.301 2.313 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCSCC1 ZINC000186935091 398078241 /nfs/dbraw/zinc/07/82/41/398078241.db2.gz CQDIWGYLMSORTF-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773122 398095225 /nfs/dbraw/zinc/09/52/25/398095225.db2.gz JESPZVYIUDTHID-LLVKDONJSA-N 2 2 244.329 2.202 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773122 398095226 /nfs/dbraw/zinc/09/52/26/398095226.db2.gz JESPZVYIUDTHID-LLVKDONJSA-N 2 2 244.329 2.202 20 0 BEADLP Cn1c[nH+]cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649775415 398095562 /nfs/dbraw/zinc/09/55/62/398095562.db2.gz GXWUQOKOSLHBCT-UHFFFAOYSA-N 2 2 241.285 2.041 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000414829412 398050860 /nfs/dbraw/zinc/05/08/60/398050860.db2.gz AQCNTCKVZDJKOY-JTQLQIEISA-N 2 2 241.404 2.212 20 0 BEADLP Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219792544 398106587 /nfs/dbraw/zinc/10/65/87/398106587.db2.gz KEEGYVOOZMIQIF-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219792544 398106593 /nfs/dbraw/zinc/10/65/93/398106593.db2.gz KEEGYVOOZMIQIF-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061983944 398110133 /nfs/dbraw/zinc/11/01/33/398110133.db2.gz FTMYBEWSBZMCHP-OAHLLOKOSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000061983944 398110138 /nfs/dbraw/zinc/11/01/38/398110138.db2.gz FTMYBEWSBZMCHP-OAHLLOKOSA-N 2 2 244.382 2.364 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000334840930 398111857 /nfs/dbraw/zinc/11/18/57/398111857.db2.gz DCQVUIAKYXBUKF-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP COc1c(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000334840930 398111864 /nfs/dbraw/zinc/11/18/64/398111864.db2.gz DCQVUIAKYXBUKF-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000258682271 322874780 /nfs/dbraw/zinc/87/47/80/322874780.db2.gz DZIBZXVPEXXVQW-UHFFFAOYSA-N 2 2 220.360 2.194 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccoc1 ZINC000087290048 322877143 /nfs/dbraw/zinc/87/71/43/322877143.db2.gz ATDUNSNORLRWEX-QWRGUYRKSA-N 2 2 210.321 2.270 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)n1C ZINC000668250439 487557037 /nfs/dbraw/zinc/55/70/37/487557037.db2.gz UNHMPFKPDFQPJU-GHMZBOCLSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)n1C ZINC000668250439 487557043 /nfs/dbraw/zinc/55/70/43/487557043.db2.gz UNHMPFKPDFQPJU-GHMZBOCLSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H](C[NH+]1CCCC1)Nc1cc[nH+]c(C)n1 ZINC000674337106 487560514 /nfs/dbraw/zinc/56/05/14/487560514.db2.gz BHOAYGZEKWQORQ-GFCCVEGCSA-N 2 2 234.347 2.071 20 0 BEADLP CC(C)(C[NH2+]C1CCOCC1)[NH+]1CCCCC1 ZINC001648700692 1172867280 /nfs/dbraw/zinc/86/72/80/1172867280.db2.gz BTSJXSFGDUFEIX-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000336729206 176653223 /nfs/dbraw/zinc/65/32/23/176653223.db2.gz IUYNHMZVEWEPHN-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)OCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000119743021 167209796 /nfs/dbraw/zinc/20/97/96/167209796.db2.gz AGJHALOBSUJDAU-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CC(C)OCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119743021 167209798 /nfs/dbraw/zinc/20/97/98/167209798.db2.gz AGJHALOBSUJDAU-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000685840175 487585011 /nfs/dbraw/zinc/58/50/11/487585011.db2.gz AYEMYZGYLKHOMO-MRXNPFEDSA-N 2 2 244.382 2.085 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000685840175 487585015 /nfs/dbraw/zinc/58/50/15/487585015.db2.gz AYEMYZGYLKHOMO-MRXNPFEDSA-N 2 2 244.382 2.085 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000685840174 487585446 /nfs/dbraw/zinc/58/54/46/487585446.db2.gz AYEMYZGYLKHOMO-INIZCTEOSA-N 2 2 244.382 2.085 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000685840174 487585450 /nfs/dbraw/zinc/58/54/50/487585450.db2.gz AYEMYZGYLKHOMO-INIZCTEOSA-N 2 2 244.382 2.085 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000086935731 487586294 /nfs/dbraw/zinc/58/62/94/487586294.db2.gz FRFCIBWCDQDNHJ-RYUDHWBXSA-N 2 2 239.388 2.147 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228140590 487592823 /nfs/dbraw/zinc/59/28/23/487592823.db2.gz GZSATMFJZSTXSY-YDHLFZDLSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228140590 487592831 /nfs/dbraw/zinc/59/28/31/487592831.db2.gz GZSATMFJZSTXSY-YDHLFZDLSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1(C)C ZINC000361239539 167281915 /nfs/dbraw/zinc/28/19/15/167281915.db2.gz VOJPPANYXHVGBI-RWMBFGLXSA-N 2 2 242.407 2.118 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232476127 487597068 /nfs/dbraw/zinc/59/70/68/487597068.db2.gz DEHGDMBVIFOPFP-DZGCQCFKSA-N 2 2 230.355 2.406 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000309764071 487609650 /nfs/dbraw/zinc/60/96/50/487609650.db2.gz YXXJPQBKCDRAFX-OAHLLOKOSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOCc1ccccc1 ZINC000309764071 487609656 /nfs/dbraw/zinc/60/96/56/487609656.db2.gz YXXJPQBKCDRAFX-OAHLLOKOSA-N 2 2 248.370 2.016 20 0 BEADLP CCCCC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283623 409614508 /nfs/dbraw/zinc/61/45/08/409614508.db2.gz BWGGJWIHPOEIKU-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CCCCC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283623 409614515 /nfs/dbraw/zinc/61/45/15/409614515.db2.gz BWGGJWIHPOEIKU-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309321383 167331814 /nfs/dbraw/zinc/33/18/14/167331814.db2.gz FGXSEWRIWNIOMP-DGCLKSJQSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309321383 167331815 /nfs/dbraw/zinc/33/18/15/167331815.db2.gz FGXSEWRIWNIOMP-DGCLKSJQSA-N 2 2 242.432 2.200 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)C(C)(C)C ZINC000308839764 409910735 /nfs/dbraw/zinc/91/07/35/409910735.db2.gz YDDJHKAXMUKQCY-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)C(C)(C)C ZINC000308839764 409910741 /nfs/dbraw/zinc/91/07/41/409910741.db2.gz YDDJHKAXMUKQCY-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000663503582 410277907 /nfs/dbraw/zinc/27/79/07/410277907.db2.gz PUWQXDNIEMZYGO-IUODEOHRSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703486 410333808 /nfs/dbraw/zinc/33/38/08/410333808.db2.gz BRCLDYCEZNQKHY-MLGOLLRUSA-N 2 2 244.382 2.263 20 0 BEADLP c1cc2c(c(C[NH2+][C@@H]3CCCC[NH2+]C3)c1)CCC2 ZINC000650704438 410335245 /nfs/dbraw/zinc/33/52/45/410335245.db2.gz YYXLKXSURXZCEY-OAHLLOKOSA-N 2 2 244.382 2.407 20 0 BEADLP CC[C@H](OCC[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000650710617 410340539 /nfs/dbraw/zinc/34/05/39/410340539.db2.gz UOFMYXKAOXDTFV-GJZGRUSLSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000650741383 410372958 /nfs/dbraw/zinc/37/29/58/410372958.db2.gz CIUANLZKSFOQHH-BVUBDWEXSA-N 2 2 244.382 2.439 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000647531201 410636487 /nfs/dbraw/zinc/63/64/87/410636487.db2.gz GVMOFVLFNXMEQR-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000665295204 410793438 /nfs/dbraw/zinc/79/34/38/410793438.db2.gz AGZOFGPVURYTKZ-CMPLNLGQSA-N 2 2 236.359 2.491 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000665295713 410795114 /nfs/dbraw/zinc/79/51/14/410795114.db2.gz IBNILRZKMKQYKJ-RNCFNFMXSA-N 2 2 222.307 2.011 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)C[NH2+]C)s1 ZINC000665296157 410806014 /nfs/dbraw/zinc/80/60/14/410806014.db2.gz NNTWTKMEYCGIQE-RKDXNWHRSA-N 2 2 241.404 2.272 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000665296427 410812453 /nfs/dbraw/zinc/81/24/53/410812453.db2.gz SIPLPYJWEMDOQT-ZJUUUORDSA-N 2 2 238.400 2.495 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000665298808 410832743 /nfs/dbraw/zinc/83/27/43/410832743.db2.gz AGGIMOKNZUVLJW-NWDGAFQWSA-N 2 2 236.359 2.262 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000651220919 410867989 /nfs/dbraw/zinc/86/79/89/410867989.db2.gz BQOHGYLWUKGAPT-GHMZBOCLSA-N 2 2 200.370 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000651268515 410891349 /nfs/dbraw/zinc/89/13/49/410891349.db2.gz PBJPIGYADMQCMA-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000651268515 410891354 /nfs/dbraw/zinc/89/13/54/410891354.db2.gz PBJPIGYADMQCMA-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166778 167014143 /nfs/dbraw/zinc/01/41/43/167014143.db2.gz GDDPJWXPLTVZQK-GFCCVEGCSA-N 2 2 200.370 2.208 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000045649890 167025482 /nfs/dbraw/zinc/02/54/82/167025482.db2.gz MQIIGYDANIFDJO-ZDUSSCGKSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000045649890 167025486 /nfs/dbraw/zinc/02/54/86/167025486.db2.gz MQIIGYDANIFDJO-ZDUSSCGKSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)OCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128266286 167224113 /nfs/dbraw/zinc/22/41/13/167224113.db2.gz WHQJCOFYXBPDEE-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128266286 167224116 /nfs/dbraw/zinc/22/41/16/167224116.db2.gz WHQJCOFYXBPDEE-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1(C)C ZINC000361239540 167280650 /nfs/dbraw/zinc/28/06/50/167280650.db2.gz VOJPPANYXHVGBI-YNEHKIRRSA-N 2 2 242.407 2.118 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000042545625 167294253 /nfs/dbraw/zinc/29/42/53/167294253.db2.gz RKZDYIFBKZOMHT-CQSZACIVSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000042545625 167294256 /nfs/dbraw/zinc/29/42/56/167294256.db2.gz RKZDYIFBKZOMHT-CQSZACIVSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123427657 167304652 /nfs/dbraw/zinc/30/46/52/167304652.db2.gz MVMRLMDFIPPNOU-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000123427657 167304655 /nfs/dbraw/zinc/30/46/55/167304655.db2.gz MVMRLMDFIPPNOU-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042546152 167306398 /nfs/dbraw/zinc/30/63/98/167306398.db2.gz MPKOOWCXDDGCLB-AWEZNQCLSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042546152 167306400 /nfs/dbraw/zinc/30/64/00/167306400.db2.gz MPKOOWCXDDGCLB-AWEZNQCLSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]CC1([NH3+])CCC1 ZINC000342106082 167311340 /nfs/dbraw/zinc/31/13/40/167311340.db2.gz OOLXCJGRXXFRPT-UHFFFAOYSA-N 2 2 248.370 2.445 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000683141368 487619965 /nfs/dbraw/zinc/61/99/65/487619965.db2.gz GVYDUPUXCWRRQY-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000683141368 487619970 /nfs/dbraw/zinc/61/99/70/487619970.db2.gz GVYDUPUXCWRRQY-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCCC[C@H]1C)[NH+](C)C ZINC000651751902 411141684 /nfs/dbraw/zinc/14/16/84/411141684.db2.gz MEVSKIHYVIXUEU-AGIUHOORSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651806961 411144722 /nfs/dbraw/zinc/14/47/22/411144722.db2.gz FRVYZOGCMCOTKV-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657900589 411160171 /nfs/dbraw/zinc/16/01/71/411160171.db2.gz RDAUFKCCGKEBOM-LLVKDONJSA-N 2 2 246.345 2.006 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(CF)(CF)C2)C1 ZINC000657900589 411160175 /nfs/dbraw/zinc/16/01/75/411160175.db2.gz RDAUFKCCGKEBOM-LLVKDONJSA-N 2 2 246.345 2.006 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093526 411243439 /nfs/dbraw/zinc/24/34/39/411243439.db2.gz VLEDWEFWXRRCDO-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093526 411243441 /nfs/dbraw/zinc/24/34/41/411243441.db2.gz VLEDWEFWXRRCDO-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CS1 ZINC000655758118 411189236 /nfs/dbraw/zinc/18/92/36/411189236.db2.gz QWNHXIPLVDKMHX-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000658097186 411244966 /nfs/dbraw/zinc/24/49/66/411244966.db2.gz VRGMNRRMJMPZEH-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000658097186 411244967 /nfs/dbraw/zinc/24/49/67/411244967.db2.gz VRGMNRRMJMPZEH-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP COCc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000652330237 411202355 /nfs/dbraw/zinc/20/23/55/411202355.db2.gz AAYJPZCDMXZFDU-YPMHNXCESA-N 2 2 249.358 2.123 20 0 BEADLP COCc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000652330237 411202357 /nfs/dbraw/zinc/20/23/57/411202357.db2.gz AAYJPZCDMXZFDU-YPMHNXCESA-N 2 2 249.358 2.123 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000656200267 411205147 /nfs/dbraw/zinc/20/51/47/411205147.db2.gz KPPPVYMSJIIUMY-BXUZGUMPSA-N 2 2 248.370 2.091 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000656201412 411206326 /nfs/dbraw/zinc/20/63/26/411206326.db2.gz WYLGIZXXYWMVBW-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000652350216 411210864 /nfs/dbraw/zinc/21/08/64/411210864.db2.gz MIMJFJMXPQRFQY-SMDDNHRTSA-N 2 2 236.334 2.136 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000652350216 411210867 /nfs/dbraw/zinc/21/08/67/411210867.db2.gz MIMJFJMXPQRFQY-SMDDNHRTSA-N 2 2 236.334 2.136 20 0 BEADLP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658055859 411222725 /nfs/dbraw/zinc/22/27/25/411222725.db2.gz JQUJEONZOURMOJ-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658055859 411222728 /nfs/dbraw/zinc/22/27/28/411222728.db2.gz JQUJEONZOURMOJ-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054342 411224098 /nfs/dbraw/zinc/22/40/98/411224098.db2.gz DNYJNNHJQRUNGK-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054342 411224100 /nfs/dbraw/zinc/22/41/00/411224100.db2.gz DNYJNNHJQRUNGK-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655683975 411225389 /nfs/dbraw/zinc/22/53/89/411225389.db2.gz KLBWXUBOPFDPIN-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000658060185 411227147 /nfs/dbraw/zinc/22/71/47/411227147.db2.gz XXSFAHPZLYEBRM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000658060185 411227150 /nfs/dbraw/zinc/22/71/50/411227150.db2.gz XXSFAHPZLYEBRM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H]1C ZINC000658060115 411227345 /nfs/dbraw/zinc/22/73/45/411227345.db2.gz JRZNXDGDQUVOTL-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)[C@H]1C ZINC000658060115 411227348 /nfs/dbraw/zinc/22/73/48/411227348.db2.gz JRZNXDGDQUVOTL-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[N@H+](CCc1c[nH+]cn1C)CC1CC1 ZINC000656461316 411270651 /nfs/dbraw/zinc/27/06/51/411270651.db2.gz SODHLXCXXJVZRN-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)CC1CC1 ZINC000656461316 411270654 /nfs/dbraw/zinc/27/06/54/411270654.db2.gz SODHLXCXXJVZRN-UHFFFAOYSA-N 2 2 221.348 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCC(C2CC2)CC1 ZINC000656557070 411303100 /nfs/dbraw/zinc/30/31/00/411303100.db2.gz GONKSRVKSJTFMP-UHFFFAOYSA-N 2 2 233.359 2.085 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@]1(C)CC1(C)C ZINC000658309981 411330978 /nfs/dbraw/zinc/33/09/78/411330978.db2.gz ZZWOVCVPECTPCI-OSMZGAPFSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@]1(C)CC1(C)C ZINC000658309981 411330980 /nfs/dbraw/zinc/33/09/80/411330980.db2.gz ZZWOVCVPECTPCI-OSMZGAPFSA-N 2 2 222.376 2.247 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219811184 411314847 /nfs/dbraw/zinc/31/48/47/411314847.db2.gz LAEKOVMASPMWJW-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000219811184 411314850 /nfs/dbraw/zinc/31/48/50/411314850.db2.gz LAEKOVMASPMWJW-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658284444 411322585 /nfs/dbraw/zinc/32/25/85/411322585.db2.gz GKAYZJZWGPUJMT-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658284444 411322591 /nfs/dbraw/zinc/32/25/91/411322591.db2.gz GKAYZJZWGPUJMT-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000658284261 411322837 /nfs/dbraw/zinc/32/28/37/411322837.db2.gz FGHXMSHNCAUGME-GXTWGEPZSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000658284261 411322842 /nfs/dbraw/zinc/32/28/42/411322842.db2.gz FGHXMSHNCAUGME-GXTWGEPZSA-N 2 2 236.359 2.285 20 0 BEADLP CC(C)CC1([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000658321337 411333014 /nfs/dbraw/zinc/33/30/14/411333014.db2.gz OKCAQSDYGZOSCF-NWDGAFQWSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CC1([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000658321337 411333018 /nfs/dbraw/zinc/33/30/18/411333018.db2.gz OKCAQSDYGZOSCF-NWDGAFQWSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CC[NH+](C)C)CC2 ZINC000655768652 411250467 /nfs/dbraw/zinc/25/04/67/411250467.db2.gz LFFQSUDSLCMFPT-AWEZNQCLSA-N 2 2 232.371 2.442 20 0 BEADLP CC[C@H](C)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658119303 411250531 /nfs/dbraw/zinc/25/05/31/411250531.db2.gz DOUNUBQZBPGIDQ-OBJOEFQTSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658119303 411250535 /nfs/dbraw/zinc/25/05/35/411250535.db2.gz DOUNUBQZBPGIDQ-OBJOEFQTSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000656441912 411260458 /nfs/dbraw/zinc/26/04/58/411260458.db2.gz IEBGBCQIKBODQY-LBPRGKRZSA-N 2 2 245.326 2.045 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000656441912 411260460 /nfs/dbraw/zinc/26/04/60/411260460.db2.gz IEBGBCQIKBODQY-LBPRGKRZSA-N 2 2 245.326 2.045 20 0 BEADLP CC(C)C[C@H](C)C[N@H+](C)CC(C)(C)[NH3+] ZINC000656785363 411360329 /nfs/dbraw/zinc/36/03/29/411360329.db2.gz NSVDOBWRBLHPFA-NSHDSACASA-N 2 2 200.370 2.338 20 0 BEADLP CC(C)C[C@H](C)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656785363 411360331 /nfs/dbraw/zinc/36/03/31/411360331.db2.gz NSVDOBWRBLHPFA-NSHDSACASA-N 2 2 200.370 2.338 20 0 BEADLP C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C ZINC000313274364 411373470 /nfs/dbraw/zinc/37/34/70/411373470.db2.gz UNDHXKCLRMVASJ-NSHDSACASA-N 2 2 223.364 2.234 20 0 BEADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC2CC2)c1 ZINC000656790154 411370019 /nfs/dbraw/zinc/37/00/19/411370019.db2.gz KSPWBNBBSGOEGH-GJZGRUSLSA-N 2 2 248.345 2.271 20 0 BEADLP FC1(F)CC[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660585486 411339564 /nfs/dbraw/zinc/33/95/64/411339564.db2.gz ZZSCFILPVWOHLF-SNVBAGLBSA-N 2 2 241.285 2.134 20 0 BEADLP FC1(F)CC[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660585486 411339569 /nfs/dbraw/zinc/33/95/69/411339569.db2.gz ZZSCFILPVWOHLF-SNVBAGLBSA-N 2 2 241.285 2.134 20 0 BEADLP CC1=CC[N@H+](CC[NH2+]C2CCSCC2)CC1 ZINC000309811528 168111695 /nfs/dbraw/zinc/11/16/95/168111695.db2.gz UHZKNPQAPXHUFT-UHFFFAOYSA-N 2 2 240.416 2.124 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+]C2CCSCC2)CC1 ZINC000309811528 168111698 /nfs/dbraw/zinc/11/16/98/168111698.db2.gz UHZKNPQAPXHUFT-UHFFFAOYSA-N 2 2 240.416 2.124 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000294260772 168121800 /nfs/dbraw/zinc/12/18/00/168121800.db2.gz NUTSYPPYDNYOLX-OLZOCXBDSA-N 2 2 219.332 2.360 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000336751639 168163845 /nfs/dbraw/zinc/16/38/45/168163845.db2.gz GODSGZHAAVXPRL-POOIEITISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000336751639 168163848 /nfs/dbraw/zinc/16/38/48/168163848.db2.gz GODSGZHAAVXPRL-POOIEITISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000656856681 411385749 /nfs/dbraw/zinc/38/57/49/411385749.db2.gz SSUBYKCVRSHWQC-NSHDSACASA-N 2 2 249.383 2.245 20 0 BEADLP CCC(C)(C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000272011318 168286895 /nfs/dbraw/zinc/28/68/95/168286895.db2.gz TWZIVPCNZHRFNQ-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP CCC(C)(C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000272011318 168286896 /nfs/dbraw/zinc/28/68/96/168286896.db2.gz TWZIVPCNZHRFNQ-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP CC[C@@H](C[NH2+][C@@H]1CO[C@H](CC)C1)[NH+]1CCCC1 ZINC000657306580 411457958 /nfs/dbraw/zinc/45/79/58/411457958.db2.gz NHDZCQYRSRPRRB-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)o1 ZINC000657308401 411458288 /nfs/dbraw/zinc/45/82/88/411458288.db2.gz QVISXZAIXPMKEC-UHFFFAOYSA-N 2 2 245.326 2.063 20 0 BEADLP Cc1c[nH]c(CNc2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC000657319586 411460247 /nfs/dbraw/zinc/46/02/47/411460247.db2.gz ASKDHARXINDRNT-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cc1c[nH]c(CNc2ccc(C)c[nH+]2)[nH+]1 ZINC000657319576 411460402 /nfs/dbraw/zinc/46/04/02/411460402.db2.gz KIONTDMCHSWDSB-UHFFFAOYSA-N 2 2 202.261 2.034 20 0 BEADLP Cc1[nH]c(CNc2cc(C)cc[nH+]2)[nH+]c1C ZINC000657319333 411460584 /nfs/dbraw/zinc/46/05/84/411460584.db2.gz DLQTZEZFHYYNBZ-UHFFFAOYSA-N 2 2 216.288 2.342 20 0 BEADLP CC[N@H+](CC[NH2+]CCC(C)(C)C)C1CC1 ZINC000053377288 169844665 /nfs/dbraw/zinc/84/46/65/169844665.db2.gz FMMNOKSFJUSLQG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](CC[NH2+]CCC(C)(C)C)C1CC1 ZINC000053377288 169844667 /nfs/dbraw/zinc/84/46/67/169844667.db2.gz FMMNOKSFJUSLQG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1c[nH]c(CNc2cc(C)cc[nH+]2)[nH+]1 ZINC000657319815 411461340 /nfs/dbraw/zinc/46/13/40/411461340.db2.gz PBZPVZZREJTUHH-UHFFFAOYSA-N 2 2 202.261 2.034 20 0 BEADLP Cc1cc[nH+]c(NCc2c[nH+]c3n2CCC3)c1 ZINC000657319785 411461644 /nfs/dbraw/zinc/46/16/44/411461644.db2.gz NVIODNYFHWLJIU-UHFFFAOYSA-N 2 2 228.299 2.145 20 0 BEADLP CCSCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266882535 411418461 /nfs/dbraw/zinc/41/84/61/411418461.db2.gz APAICPLXVZWHAQ-NSHDSACASA-N 2 2 239.388 2.342 20 0 BEADLP CCSCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266882535 411418479 /nfs/dbraw/zinc/41/84/79/411418479.db2.gz APAICPLXVZWHAQ-NSHDSACASA-N 2 2 239.388 2.342 20 0 BEADLP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC2)CC1 ZINC000653593785 411429131 /nfs/dbraw/zinc/42/91/31/411429131.db2.gz PGLYZFZIKPTKIE-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347834 411474810 /nfs/dbraw/zinc/47/48/10/411474810.db2.gz GQIUXJHTFIUHML-YIYPIFLZSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347834 411474811 /nfs/dbraw/zinc/47/48/11/411474811.db2.gz GQIUXJHTFIUHML-YIYPIFLZSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657365343 411480955 /nfs/dbraw/zinc/48/09/55/411480955.db2.gz CWFDIQCFOGKSIE-MRVPVSSYSA-N 2 2 248.330 2.184 20 0 BEADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CO1 ZINC000659882689 411489202 /nfs/dbraw/zinc/48/92/02/411489202.db2.gz LJZDGWYWOOPSJH-CHWSQXEVSA-N 2 2 249.358 2.088 20 0 BEADLP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CO1 ZINC000659882689 411489205 /nfs/dbraw/zinc/48/92/05/411489205.db2.gz LJZDGWYWOOPSJH-CHWSQXEVSA-N 2 2 249.358 2.088 20 0 BEADLP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Oc1ccccc1C ZINC000415087733 411490306 /nfs/dbraw/zinc/49/03/06/411490306.db2.gz WNJUAIUFHLADCS-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657388152 411490418 /nfs/dbraw/zinc/49/04/18/411490418.db2.gz GCRIBODVQRMMLR-UHFFFAOYSA-N 2 2 219.332 2.109 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC3CCC1CC3)CCC2 ZINC000657398848 411494991 /nfs/dbraw/zinc/49/49/91/411494991.db2.gz CZOIKVNGPYLKEQ-YIZWMMSDSA-N 2 2 245.370 2.498 20 0 BEADLP CC(C)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657414948 411498285 /nfs/dbraw/zinc/49/82/85/411498285.db2.gz WXYCIMLBUZDLTG-NSHDSACASA-N 2 2 221.348 2.354 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657414947 411498607 /nfs/dbraw/zinc/49/86/07/411498607.db2.gz WXYCIMLBUZDLTG-LLVKDONJSA-N 2 2 221.348 2.354 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CCC1=CCCC1)CCC2 ZINC000657414539 411498777 /nfs/dbraw/zinc/49/87/77/411498777.db2.gz AOZDRMFTCRROTQ-UHFFFAOYSA-N 2 2 231.343 2.419 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438178 411509849 /nfs/dbraw/zinc/50/98/49/411509849.db2.gz VSRXEDKXFLPONE-MRVPVSSYSA-N 2 2 247.264 2.260 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000655792416 411515275 /nfs/dbraw/zinc/51/52/75/411515275.db2.gz RRESEALCROWAIJ-UHFFFAOYSA-N 2 2 243.354 2.350 20 0 BEADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077861 411534838 /nfs/dbraw/zinc/53/48/38/411534838.db2.gz QOWOZFALETTWOD-VXGBXAGGSA-N 2 2 249.358 2.157 20 0 BEADLP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077861 411534840 /nfs/dbraw/zinc/53/48/40/411534840.db2.gz QOWOZFALETTWOD-VXGBXAGGSA-N 2 2 249.358 2.157 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC(F)(F)C2)n1C ZINC000657456294 411515761 /nfs/dbraw/zinc/51/57/61/411515761.db2.gz WBVPMLPIZNWYHX-JTQLQIEISA-N 2 2 243.301 2.254 20 0 BEADLP C[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657456559 411516103 /nfs/dbraw/zinc/51/61/03/411516103.db2.gz SEGUIOONWFQJQV-RYUDHWBXSA-N 2 2 233.359 2.355 20 0 BEADLP CC(C)C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657474966 411524270 /nfs/dbraw/zinc/52/42/70/411524270.db2.gz WLHNCKMYHWSPFX-UHFFFAOYSA-N 2 2 219.332 2.108 20 0 BEADLP CC1(C)C[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CO1 ZINC000659999580 411525355 /nfs/dbraw/zinc/52/53/55/411525355.db2.gz SRRAQJRJAPAVAS-LBPRGKRZSA-N 2 2 249.358 2.157 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000655811888 411525596 /nfs/dbraw/zinc/52/55/96/411525596.db2.gz XPEBAQHVPWYEJQ-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000655811888 411525598 /nfs/dbraw/zinc/52/55/98/411525598.db2.gz XPEBAQHVPWYEJQ-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP CC[N@@H+]1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000361053242 170009264 /nfs/dbraw/zinc/00/92/64/170009264.db2.gz QHXMEZHRUPIRSP-WCQYABFASA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C[C@@H]1C ZINC000361053242 170009265 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CC[N@H+]1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C[C@H]1C ZINC000361053240 170010189 /nfs/dbraw/zinc/01/01/89/170010189.db2.gz QHXMEZHRUPIRSP-DGCLKSJQSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000328514144 170011674 /nfs/dbraw/zinc/01/16/74/170011674.db2.gz OXUYRZDBWYMDAH-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000328514144 170011676 /nfs/dbraw/zinc/01/16/76/170011676.db2.gz OXUYRZDBWYMDAH-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000336905095 170013696 /nfs/dbraw/zinc/01/36/96/170013696.db2.gz WMPKSYTVKZSBJS-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000336905095 170013697 /nfs/dbraw/zinc/01/36/97/170013697.db2.gz WMPKSYTVKZSBJS-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccncc2)C[C@H]1C ZINC000353751787 170018097 /nfs/dbraw/zinc/01/80/97/170018097.db2.gz KGCLTBACXINFLE-HIFRSBDPSA-N 2 2 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AAUFKKKFIFWBIO-UHFFFAOYSA-N 2 2 224.270 2.013 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563798 411552626 /nfs/dbraw/zinc/55/26/26/411552626.db2.gz RDBRCTBDHRMZQK-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563798 411552628 /nfs/dbraw/zinc/55/26/28/411552628.db2.gz RDBRCTBDHRMZQK-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000657564418 411552863 /nfs/dbraw/zinc/55/28/63/411552863.db2.gz VBGOQPWAVHVOPQ-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000657564418 411552864 /nfs/dbraw/zinc/55/28/64/411552864.db2.gz VBGOQPWAVHVOPQ-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)O1 ZINC000657564536 411553186 /nfs/dbraw/zinc/55/31/86/411553186.db2.gz WEWMGSUATAZTAJ-XQHKEYJVSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)O1 ZINC000657564536 411553188 /nfs/dbraw/zinc/55/31/88/411553188.db2.gz WEWMGSUATAZTAJ-XQHKEYJVSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000660253454 411560291 /nfs/dbraw/zinc/56/02/91/411560291.db2.gz HOBPOTQEJFIWFI-CHWSQXEVSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@@H+]1C1CC1 ZINC000657654046 411570320 /nfs/dbraw/zinc/57/03/20/411570320.db2.gz QHDTUHUXEYDUJI-YPMHNXCESA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@H+]1C1CC1 ZINC000657654046 411570321 /nfs/dbraw/zinc/57/03/21/411570321.db2.gz QHDTUHUXEYDUJI-YPMHNXCESA-N 2 2 234.343 2.037 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)n1C ZINC000657739612 411588730 /nfs/dbraw/zinc/58/87/30/411588730.db2.gz UHGOZEXAOXHZCV-JTQLQIEISA-N 2 2 243.301 2.109 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C(C)C)C2CC2)n1C ZINC000657757312 411590294 /nfs/dbraw/zinc/59/02/94/411590294.db2.gz QDTJKVPEKSPCHC-CYBMUJFWSA-N 2 2 221.348 2.253 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2=CCCC2)C[N@@H+]1C1CC1 ZINC000657749419 411592612 /nfs/dbraw/zinc/59/26/12/411592612.db2.gz BZXIVYDWYJMTAC-AAEUAGOBSA-N 2 2 220.360 2.312 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2=CCCC2)C[N@H+]1C1CC1 ZINC000657749419 411592613 /nfs/dbraw/zinc/59/26/13/411592613.db2.gz BZXIVYDWYJMTAC-AAEUAGOBSA-N 2 2 220.360 2.312 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCSCC1)[N@H+](C)C1CC1 ZINC000657873720 411615311 /nfs/dbraw/zinc/61/53/11/411615311.db2.gz UWUYAVTUAOILJF-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCSCC1)[N@@H+](C)C1CC1 ZINC000657873720 411615314 /nfs/dbraw/zinc/61/53/14/411615314.db2.gz UWUYAVTUAOILJF-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000086727089 487536280 /nfs/dbraw/zinc/53/62/80/487536280.db2.gz DSEYCUBIIDKSFA-YUMQZZPRSA-N 2 2 230.764 2.414 20 0 BEADLP Cc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1C ZINC000663498121 411682274 /nfs/dbraw/zinc/68/22/74/411682274.db2.gz LXZLZPHDXSVCGO-UHFFFAOYSA-N 2 2 230.355 2.145 20 0 BEADLP c1cc2c(c(C[NH2+]CC34CC(C3)C[NH2+]4)c1)CCC2 ZINC000663500254 411682922 /nfs/dbraw/zinc/68/29/22/411682922.db2.gz JHQVULVYHFUSFF-UHFFFAOYSA-N 2 2 242.366 2.017 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000663508150 411689623 /nfs/dbraw/zinc/68/96/23/411689623.db2.gz KWKWPEZUMROULQ-GFCCVEGCSA-N 2 2 236.359 2.171 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000663514776 411695183 /nfs/dbraw/zinc/69/51/83/411695183.db2.gz SWWTXWYJXUUJEU-VIFPVBQESA-N 2 2 228.286 2.322 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000663514912 411697155 /nfs/dbraw/zinc/69/71/55/411697155.db2.gz WBQRLSOPXBXEOC-MRVPVSSYSA-N 2 2 230.714 2.177 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC(F)CC1 ZINC000662001426 411938964 /nfs/dbraw/zinc/93/89/64/411938964.db2.gz MIOISTOFGYKLNV-HIFPTAJRSA-N 2 2 239.338 2.390 20 0 BEADLP Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(C)[nH+]1 ZINC000664177317 411881850 /nfs/dbraw/zinc/88/18/50/411881850.db2.gz ZWUQPHLUHMULOY-LBPRGKRZSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1cc(N[C@H]2CC[N@H+](C(C)(C)C)C2)nc(C)[nH+]1 ZINC000664177317 411881854 /nfs/dbraw/zinc/88/18/54/411881854.db2.gz ZWUQPHLUHMULOY-LBPRGKRZSA-N 2 2 248.374 2.378 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000309207040 170859753 /nfs/dbraw/zinc/85/97/53/170859753.db2.gz SFBMHGDIQNFIGQ-LLVKDONJSA-N 2 2 216.344 2.197 20 0 BEADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000662242766 412037802 /nfs/dbraw/zinc/03/78/02/412037802.db2.gz IVUKLJRGNSNOJB-AWEZNQCLSA-N 2 2 218.344 2.343 20 0 BEADLP CC(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000662242766 412037805 /nfs/dbraw/zinc/03/78/05/412037805.db2.gz IVUKLJRGNSNOJB-AWEZNQCLSA-N 2 2 218.344 2.343 20 0 BEADLP CCc1nocc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000662248099 412047390 /nfs/dbraw/zinc/04/73/90/412047390.db2.gz SWUGVRCQTDWEFB-GFCCVEGCSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1nocc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000662248099 412047395 /nfs/dbraw/zinc/04/73/95/412047395.db2.gz SWUGVRCQTDWEFB-GFCCVEGCSA-N 2 2 239.363 2.042 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000336733961 171041869 /nfs/dbraw/zinc/04/18/69/171041869.db2.gz KODKFRSPGRQMKN-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000336733961 171041871 /nfs/dbraw/zinc/04/18/71/171041871.db2.gz KODKFRSPGRQMKN-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000336763152 171058446 /nfs/dbraw/zinc/05/84/46/171058446.db2.gz OOMWNVYYJOQOKO-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000336763152 171058449 /nfs/dbraw/zinc/05/84/49/171058449.db2.gz OOMWNVYYJOQOKO-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000310038231 171058741 /nfs/dbraw/zinc/05/87/41/171058741.db2.gz VWZQMZUVRFARGB-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000310038231 171058744 /nfs/dbraw/zinc/05/87/44/171058744.db2.gz VWZQMZUVRFARGB-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336676871 171058861 /nfs/dbraw/zinc/05/88/61/171058861.db2.gz BYNQFMDTDOJSJC-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000336763151 171059463 /nfs/dbraw/zinc/05/94/63/171059463.db2.gz OOMWNVYYJOQOKO-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000336763151 171059464 /nfs/dbraw/zinc/05/94/64/171059464.db2.gz OOMWNVYYJOQOKO-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000336766845 171059620 /nfs/dbraw/zinc/05/96/20/171059620.db2.gz RXNLRXNHQXRHBY-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000336766845 171059621 /nfs/dbraw/zinc/05/96/21/171059621.db2.gz RXNLRXNHQXRHBY-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000289996151 171149309 /nfs/dbraw/zinc/14/93/09/171149309.db2.gz PDBILORNBRXFKM-NEPJUHHUSA-N 2 2 247.342 2.025 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000126775961 171284899 /nfs/dbraw/zinc/28/48/99/171284899.db2.gz PHYLRENOPDLMRS-NWDGAFQWSA-N 2 2 209.337 2.155 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153323 171285763 /nfs/dbraw/zinc/28/57/63/171285763.db2.gz XEWZVTQLMOIUMH-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544790 171298890 /nfs/dbraw/zinc/29/88/90/171298890.db2.gz YTZGWYJAGBGQIG-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544790 171298892 /nfs/dbraw/zinc/29/88/92/171298892.db2.gz YTZGWYJAGBGQIG-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@H+](CCSc1ccccc1)CC(C)(C)[NH3+] ZINC000662296238 412084420 /nfs/dbraw/zinc/08/44/20/412084420.db2.gz AKFDSDPGIISABL-UHFFFAOYSA-N 2 2 238.400 2.448 20 0 BEADLP C[N@@H+](CCSc1ccccc1)CC(C)(C)[NH3+] ZINC000662296238 412084422 /nfs/dbraw/zinc/08/44/22/412084422.db2.gz AKFDSDPGIISABL-UHFFFAOYSA-N 2 2 238.400 2.448 20 0 BEADLP CC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341662726 171320191 /nfs/dbraw/zinc/32/01/91/171320191.db2.gz VJIHINDCYMKKAX-AAEUAGOBSA-N 2 2 220.316 2.333 20 0 BEADLP CC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341662726 171320193 /nfs/dbraw/zinc/32/01/93/171320193.db2.gz VJIHINDCYMKKAX-AAEUAGOBSA-N 2 2 220.316 2.333 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000020092024 171365462 /nfs/dbraw/zinc/36/54/62/171365462.db2.gz XZUSPJIKFBSHMU-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000020092024 171365463 /nfs/dbraw/zinc/36/54/63/171365463.db2.gz XZUSPJIKFBSHMU-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156924 171366616 /nfs/dbraw/zinc/36/66/16/171366616.db2.gz LHJGJUJHJQVARB-SDDRHHMPSA-N 2 2 209.337 2.296 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292449 412081965 /nfs/dbraw/zinc/08/19/65/412081965.db2.gz ICUAAIUIPMTOIE-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292449 412081969 /nfs/dbraw/zinc/08/19/69/412081969.db2.gz ICUAAIUIPMTOIE-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292450 412082019 /nfs/dbraw/zinc/08/20/19/412082019.db2.gz ICUAAIUIPMTOIE-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292450 412082023 /nfs/dbraw/zinc/08/20/23/412082023.db2.gz ICUAAIUIPMTOIE-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000020092028 171388936 /nfs/dbraw/zinc/38/89/36/171388936.db2.gz XZUSPJIKFBSHMU-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000020092028 171388938 /nfs/dbraw/zinc/38/89/38/171388938.db2.gz XZUSPJIKFBSHMU-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000310017441 171391371 /nfs/dbraw/zinc/39/13/71/171391371.db2.gz LKYUWPLRRFZMSE-SRVKXCTJSA-N 2 2 221.348 2.222 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304407 412088448 /nfs/dbraw/zinc/08/84/48/412088448.db2.gz RIVGUOHQXNEPPV-IFQILLTASA-N 2 2 234.318 2.310 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304407 412088451 /nfs/dbraw/zinc/08/84/51/412088451.db2.gz RIVGUOHQXNEPPV-IFQILLTASA-N 2 2 234.318 2.310 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1F ZINC000662303261 412088995 /nfs/dbraw/zinc/08/89/95/412088995.db2.gz UMZQZLLSGVYUBQ-GXFFZTMASA-N 2 2 224.323 2.460 20 0 BEADLP Cc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1C ZINC000662305886 412091042 /nfs/dbraw/zinc/09/10/42/412091042.db2.gz NMLKNVNNYJRUHQ-UHFFFAOYSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1C ZINC000662305886 412091045 /nfs/dbraw/zinc/09/10/45/412091045.db2.gz NMLKNVNNYJRUHQ-UHFFFAOYSA-N 2 2 230.355 2.227 20 0 BEADLP COc1cccc([C@@]2(C)CC[N@H+](C[C@@H](C)[NH3+])C2)c1 ZINC000662311283 412093736 /nfs/dbraw/zinc/09/37/36/412093736.db2.gz RNYIXUWPMXPVTO-DOMZBBRYSA-N 2 2 248.370 2.006 20 0 BEADLP COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H](C)[NH3+])C2)c1 ZINC000662311283 412093740 /nfs/dbraw/zinc/09/37/40/412093740.db2.gz RNYIXUWPMXPVTO-DOMZBBRYSA-N 2 2 248.370 2.006 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662318622 412097549 /nfs/dbraw/zinc/09/75/49/412097549.db2.gz CNXATMOGJQTMEH-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662318622 412097551 /nfs/dbraw/zinc/09/75/51/412097551.db2.gz CNXATMOGJQTMEH-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cscn1 ZINC000665240760 412182198 /nfs/dbraw/zinc/18/21/98/412182198.db2.gz RVXUEGGZHHDXCH-GKDVJIACSA-N 2 2 237.372 2.077 20 0 BEADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000665242877 412186433 /nfs/dbraw/zinc/18/64/33/412186433.db2.gz NKJUADDPMVBGEK-OBJOEFQTSA-N 2 2 230.355 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1OC ZINC000043326295 171547111 /nfs/dbraw/zinc/54/71/11/171547111.db2.gz JOBVIBDQYCYWKH-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP CCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccn1 ZINC000665278146 412221859 /nfs/dbraw/zinc/22/18/59/412221859.db2.gz WFGRXDBJEYRFQN-JVWICGRDSA-N 2 2 245.370 2.264 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665283717 412228813 /nfs/dbraw/zinc/22/88/13/412228813.db2.gz SUFVRJHMSPORKC-KFWWJZLASA-N 3 2 247.386 2.094 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@H](C3CCC3)C2)c[nH+]1 ZINC000665288791 412233414 /nfs/dbraw/zinc/23/34/14/412233414.db2.gz YBCQTTNRTZMOLP-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@H](C3CCC3)C2)c[nH+]1 ZINC000665288791 412233415 /nfs/dbraw/zinc/23/34/15/412233415.db2.gz YBCQTTNRTZMOLP-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000665294071 412239403 /nfs/dbraw/zinc/23/94/03/412239403.db2.gz HNANWQPAFCCJLF-NHYWBVRUSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000665294373 412239443 /nfs/dbraw/zinc/23/94/43/412239443.db2.gz NNKGHXIYKQDIPT-RYUDHWBXSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000665294644 412240270 /nfs/dbraw/zinc/24/02/70/412240270.db2.gz SQEXZLKREUNBIF-PWSUYJOCSA-N 2 2 236.384 2.421 20 0 BEADLP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000665294786 412240553 /nfs/dbraw/zinc/24/05/53/412240553.db2.gz WNVTVLLRGVCGNP-RISCZKNCSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000665296380 412242165 /nfs/dbraw/zinc/24/21/65/412242165.db2.gz SAOYEYSZCDLIBP-UWVGGRQHSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000665295656 412242686 /nfs/dbraw/zinc/24/26/86/412242686.db2.gz HIBJKIVATNKDPI-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000665295764 412243311 /nfs/dbraw/zinc/24/33/11/412243311.db2.gz ISQXLIHIFBZVTJ-FZMZJTMJSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000665297855 412244244 /nfs/dbraw/zinc/24/42/44/412244244.db2.gz MZTUYMYDUSVILK-IUCAKERBSA-N 2 2 228.361 2.015 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000665298490 412246119 /nfs/dbraw/zinc/24/61/19/412246119.db2.gz WZYQADXDWUSPBC-PSASIEDQSA-N 2 2 212.362 2.315 20 0 BEADLP CCc1[nH+]ccn1Cc1cn2ccccc2[nH+]1 ZINC000104287290 172027720 /nfs/dbraw/zinc/02/77/20/172027720.db2.gz FQVBZJJWPSSTQI-UHFFFAOYSA-N 2 2 226.283 2.142 20 0 BEADLP CCc1nocc1C[NH2+]CCC[NH+](CC)CC ZINC000339174246 172100313 /nfs/dbraw/zinc/10/03/13/172100313.db2.gz GFVKEDQFAPNEDB-UHFFFAOYSA-N 2 2 239.363 2.059 20 0 BEADLP CCc1nocc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000339181897 172100579 /nfs/dbraw/zinc/10/05/79/172100579.db2.gz MKQBLGRMJLFBKY-UHFFFAOYSA-N 2 2 239.363 2.057 20 0 BEADLP CCc1nocc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000339181897 172100581 /nfs/dbraw/zinc/10/05/81/172100581.db2.gz MKQBLGRMJLFBKY-UHFFFAOYSA-N 2 2 239.363 2.057 20 0 BEADLP C[NH+](C)C1(CNc2[nH]c3ccccc3[nH+]2)CCC1 ZINC000097934277 172403394 /nfs/dbraw/zinc/40/33/94/172403394.db2.gz RWDAUZMMGKEWMQ-UHFFFAOYSA-N 2 2 244.342 2.459 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000044563029 173005378 /nfs/dbraw/zinc/00/53/78/173005378.db2.gz CPASIMSAZABCOG-LLVKDONJSA-N 2 2 244.342 2.459 20 0 BEADLP C[N@H+]1CCCC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000044563029 173005381 /nfs/dbraw/zinc/00/53/81/173005381.db2.gz CPASIMSAZABCOG-LLVKDONJSA-N 2 2 244.342 2.459 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000040671695 173020282 /nfs/dbraw/zinc/02/02/82/173020282.db2.gz WSZKUVYKYFACGO-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000040671695 173020286 /nfs/dbraw/zinc/02/02/86/173020286.db2.gz WSZKUVYKYFACGO-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336275603 173029413 /nfs/dbraw/zinc/02/94/13/173029413.db2.gz WKIGXMGSXXQHGP-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336275603 173029414 /nfs/dbraw/zinc/02/94/14/173029414.db2.gz WKIGXMGSXXQHGP-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336275603 173029415 /nfs/dbraw/zinc/02/94/15/173029415.db2.gz WKIGXMGSXXQHGP-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000336275603 173029417 /nfs/dbraw/zinc/02/94/17/173029417.db2.gz WKIGXMGSXXQHGP-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000192736586 173056354 /nfs/dbraw/zinc/05/63/54/173056354.db2.gz CMKPQSAMIDOCSL-WCQYABFASA-N 2 2 234.343 2.341 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000192736586 173056356 /nfs/dbraw/zinc/05/63/56/173056356.db2.gz CMKPQSAMIDOCSL-WCQYABFASA-N 2 2 234.343 2.341 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccsc3)[C@H]2C1 ZINC000272646236 173134387 /nfs/dbraw/zinc/13/43/87/173134387.db2.gz PAOIXPOHOYNACO-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccsc3)[C@H]2C1 ZINC000272646236 173134389 /nfs/dbraw/zinc/13/43/89/173134389.db2.gz PAOIXPOHOYNACO-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccsc3)[C@H]2C1 ZINC000272646236 173134390 /nfs/dbraw/zinc/13/43/90/173134390.db2.gz PAOIXPOHOYNACO-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccsc3)[C@H]2C1 ZINC000272646236 173134393 /nfs/dbraw/zinc/13/43/93/173134393.db2.gz PAOIXPOHOYNACO-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccsc3)[C@@H]2C1 ZINC000272646234 173134650 /nfs/dbraw/zinc/13/46/50/173134650.db2.gz PAOIXPOHOYNACO-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccsc3)[C@@H]2C1 ZINC000272646234 173134652 /nfs/dbraw/zinc/13/46/52/173134652.db2.gz PAOIXPOHOYNACO-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccsc3)[C@@H]2C1 ZINC000272646234 173134655 /nfs/dbraw/zinc/13/46/55/173134655.db2.gz PAOIXPOHOYNACO-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccsc3)[C@@H]2C1 ZINC000272646234 173134656 /nfs/dbraw/zinc/13/46/56/173134656.db2.gz PAOIXPOHOYNACO-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000061984705 173152163 /nfs/dbraw/zinc/15/21/63/173152163.db2.gz IHHJAAUHEWSFBC-ZDUSSCGKSA-N 2 2 208.349 2.171 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000061984705 173152164 /nfs/dbraw/zinc/15/21/64/173152164.db2.gz IHHJAAUHEWSFBC-ZDUSSCGKSA-N 2 2 208.349 2.171 20 0 BEADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000292257249 173166865 /nfs/dbraw/zinc/16/68/65/173166865.db2.gz YHWQYLFJQOZIBE-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000292257249 173166867 /nfs/dbraw/zinc/16/68/67/173166867.db2.gz YHWQYLFJQOZIBE-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000292257249 173166869 /nfs/dbraw/zinc/16/68/69/173166869.db2.gz YHWQYLFJQOZIBE-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000292257249 173166871 /nfs/dbraw/zinc/16/68/71/173166871.db2.gz YHWQYLFJQOZIBE-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000037269474 173352661 /nfs/dbraw/zinc/35/26/61/173352661.db2.gz ZPZJQAZGPGTVSC-UHFFFAOYSA-N 2 2 220.360 2.461 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000037269474 173352659 /nfs/dbraw/zinc/35/26/59/173352659.db2.gz ZPZJQAZGPGTVSC-UHFFFAOYSA-N 2 2 220.360 2.461 20 0 BEADLP C[NH2+]C[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000129566595 173363734 /nfs/dbraw/zinc/36/37/34/173363734.db2.gz LWZVPUKSCYWALU-SNVBAGLBSA-N 2 2 236.363 2.176 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891936 173370459 /nfs/dbraw/zinc/37/04/59/173370459.db2.gz FJXPASVVRAEYNY-LBPRGKRZSA-N 2 2 238.762 2.381 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011891936 173370461 /nfs/dbraw/zinc/37/04/61/173370461.db2.gz FJXPASVVRAEYNY-LBPRGKRZSA-N 2 2 238.762 2.381 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000011891930 173370963 /nfs/dbraw/zinc/37/09/63/173370963.db2.gz YQCVHBLRJHUZCE-NSHDSACASA-N 2 2 238.762 2.381 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000011891930 173370965 /nfs/dbraw/zinc/37/09/65/173370965.db2.gz YQCVHBLRJHUZCE-NSHDSACASA-N 2 2 238.762 2.381 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000011891933 173382336 /nfs/dbraw/zinc/38/23/36/173382336.db2.gz YQCVHBLRJHUZCE-LLVKDONJSA-N 2 2 238.762 2.381 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000011891933 173382338 /nfs/dbraw/zinc/38/23/38/173382338.db2.gz YQCVHBLRJHUZCE-LLVKDONJSA-N 2 2 238.762 2.381 20 0 BEADLP COC1(C[NH2+]C[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000319494698 174002345 /nfs/dbraw/zinc/00/23/45/174002345.db2.gz VHQBLIHZPCPTDD-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+]C[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000319494698 174002347 /nfs/dbraw/zinc/00/23/47/174002347.db2.gz VHQBLIHZPCPTDD-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122758531 174184077 /nfs/dbraw/zinc/18/40/77/174184077.db2.gz MRSIQNVFOCCWDB-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122758531 174184078 /nfs/dbraw/zinc/18/40/78/174184078.db2.gz MRSIQNVFOCCWDB-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122758755 174184398 /nfs/dbraw/zinc/18/43/98/174184398.db2.gz MRSIQNVFOCCWDB-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122758755 174184401 /nfs/dbraw/zinc/18/44/01/174184401.db2.gz MRSIQNVFOCCWDB-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336712066 174190778 /nfs/dbraw/zinc/19/07/78/174190778.db2.gz NNXTXVRHQRDXGH-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP CO[C@H](C)CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000269358256 174816901 /nfs/dbraw/zinc/81/69/01/174816901.db2.gz NRGIMFMGDGMPKY-GFCCVEGCSA-N 2 2 247.342 2.157 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000361230605 174844419 /nfs/dbraw/zinc/84/44/19/174844419.db2.gz PUIZFQNYVKSUTO-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000361230605 174844421 /nfs/dbraw/zinc/84/44/21/174844421.db2.gz PUIZFQNYVKSUTO-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000177253585 175286640 /nfs/dbraw/zinc/28/66/40/175286640.db2.gz PEQFXBUCOAWLQW-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000177253585 175286642 /nfs/dbraw/zinc/28/66/42/175286642.db2.gz PEQFXBUCOAWLQW-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc2cc([C@H](C)[NH2+]CC[NH3+])oc21 ZINC000037712708 175307820 /nfs/dbraw/zinc/30/78/20/175307820.db2.gz IPMZBUHQZNIEPB-VIFPVBQESA-N 2 2 234.299 2.051 20 0 BEADLP COc1ccccc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070175753 175328035 /nfs/dbraw/zinc/32/80/35/175328035.db2.gz OQLGYRZTJAEJLM-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070175753 175328036 /nfs/dbraw/zinc/32/80/36/175328036.db2.gz OQLGYRZTJAEJLM-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154559155 175344709 /nfs/dbraw/zinc/34/47/09/175344709.db2.gz WQCTWOUFMCWXNE-OLZOCXBDSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154559155 175344710 /nfs/dbraw/zinc/34/47/10/175344710.db2.gz WQCTWOUFMCWXNE-OLZOCXBDSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324503 175346138 /nfs/dbraw/zinc/34/61/38/175346138.db2.gz WWVSZGSXTMMFSZ-NEPJUHHUSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000019958428 175350761 /nfs/dbraw/zinc/35/07/61/175350761.db2.gz NYEOTZQNMIPFLH-LBPRGKRZSA-N 2 2 236.359 2.298 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CCc1ccco1)[NH+](C)C ZINC000038088009 175687647 /nfs/dbraw/zinc/68/76/47/175687647.db2.gz BPOIYWUFGQYLHC-NWDGAFQWSA-N 2 2 224.348 2.140 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC1(C)C ZINC000308785474 175783670 /nfs/dbraw/zinc/78/36/70/175783670.db2.gz FHTJKDRJXBFWTN-QWRGUYRKSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000309503979 176022749 /nfs/dbraw/zinc/02/27/49/176022749.db2.gz VLADJUBMTQPYSL-CHWSQXEVSA-N 2 2 220.360 2.330 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780464 176077578 /nfs/dbraw/zinc/07/75/78/176077578.db2.gz RKHCSCQJSKLXQZ-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780464 176077579 /nfs/dbraw/zinc/07/75/79/176077579.db2.gz RKHCSCQJSKLXQZ-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000041041879 176088811 /nfs/dbraw/zinc/08/88/11/176088811.db2.gz XYIWJSKTGULVMO-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000179250515 176099168 /nfs/dbraw/zinc/09/91/68/176099168.db2.gz GIDRLHGHPJAAHO-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1C ZINC000179250515 176099170 /nfs/dbraw/zinc/09/91/70/176099170.db2.gz GIDRLHGHPJAAHO-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177358180 176109218 /nfs/dbraw/zinc/10/92/18/176109218.db2.gz KBVXOCBQZPUPOZ-GFCCVEGCSA-N 2 2 242.326 2.252 20 0 BEADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177358180 176109220 /nfs/dbraw/zinc/10/92/20/176109220.db2.gz KBVXOCBQZPUPOZ-GFCCVEGCSA-N 2 2 242.326 2.252 20 0 BEADLP C[C@@H]1CC[N@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000111679768 176169998 /nfs/dbraw/zinc/16/99/98/176169998.db2.gz CVPLDBJXRUJHOR-KGLIPLIRSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CC[N@@H+](CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000111679768 176170000 /nfs/dbraw/zinc/17/00/00/176170000.db2.gz CVPLDBJXRUJHOR-KGLIPLIRSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)O1 ZINC000336321398 176224378 /nfs/dbraw/zinc/22/43/78/176224378.db2.gz OVTYRBMHTZZRGK-DGCLKSJQSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948508 176231265 /nfs/dbraw/zinc/23/12/65/176231265.db2.gz NKUFQLCTEDVQFS-DOMZBBRYSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948508 176231266 /nfs/dbraw/zinc/23/12/66/176231266.db2.gz NKUFQLCTEDVQFS-DOMZBBRYSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC000309101738 176271818 /nfs/dbraw/zinc/27/18/18/176271818.db2.gz GBMFSRYBJLVCDI-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC000309101738 176271820 /nfs/dbraw/zinc/27/18/20/176271820.db2.gz GBMFSRYBJLVCDI-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472733 176273035 /nfs/dbraw/zinc/27/30/35/176273035.db2.gz YFVJXKFKFLXNIW-XVSSEFHLSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472733 176273038 /nfs/dbraw/zinc/27/30/38/176273038.db2.gz YFVJXKFKFLXNIW-XVSSEFHLSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000337257169 176273417 /nfs/dbraw/zinc/27/34/17/176273417.db2.gz NTYLLTZRUIGVJW-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000337257169 176273419 /nfs/dbraw/zinc/27/34/19/176273419.db2.gz NTYLLTZRUIGVJW-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000337257170 176273436 /nfs/dbraw/zinc/27/34/36/176273436.db2.gz NTYLLTZRUIGVJW-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000337257170 176273439 /nfs/dbraw/zinc/27/34/39/176273439.db2.gz NTYLLTZRUIGVJW-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358363140 176273859 /nfs/dbraw/zinc/27/38/59/176273859.db2.gz GCMMIKXAKCDHJF-UGFHNGPFSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358363140 176273861 /nfs/dbraw/zinc/27/38/61/176273861.db2.gz GCMMIKXAKCDHJF-UGFHNGPFSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000336776998 176274670 /nfs/dbraw/zinc/27/46/70/176274670.db2.gz HDIWHFAMAVGCFW-MXWKQRLJSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000336776998 176274672 /nfs/dbraw/zinc/27/46/72/176274672.db2.gz HDIWHFAMAVGCFW-MXWKQRLJSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000358145208 176274714 /nfs/dbraw/zinc/27/47/14/176274714.db2.gz ZAIASVKETLNLGF-AVRGHOLYSA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000358145208 176274715 /nfs/dbraw/zinc/27/47/15/176274715.db2.gz ZAIASVKETLNLGF-AVRGHOLYSA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000336777000 176275204 /nfs/dbraw/zinc/27/52/04/176275204.db2.gz HDIWHFAMAVGCFW-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000336777000 176275205 /nfs/dbraw/zinc/27/52/05/176275205.db2.gz HDIWHFAMAVGCFW-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC000336739020 176277114 /nfs/dbraw/zinc/27/71/14/176277114.db2.gz KUJMAFICJLHYSU-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC000336739020 176277115 /nfs/dbraw/zinc/27/71/15/176277115.db2.gz KUJMAFICJLHYSU-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000358024888 176279131 /nfs/dbraw/zinc/27/91/31/176279131.db2.gz NLALEWUDLPXHMH-UHOFOFEASA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000358024888 176279132 /nfs/dbraw/zinc/27/91/32/176279132.db2.gz NLALEWUDLPXHMH-UHOFOFEASA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000336662328 176366226 /nfs/dbraw/zinc/36/62/26/176366226.db2.gz KHCPTQMYQDWMBE-JHJVBQTASA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336662328 176366227 /nfs/dbraw/zinc/36/62/27/176366227.db2.gz KHCPTQMYQDWMBE-JHJVBQTASA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000357710354 176375065 /nfs/dbraw/zinc/37/50/65/176375065.db2.gz OOXMTNZJJNAXMA-NXEZZACHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@H+]1C1CC1 ZINC000357710354 176375067 /nfs/dbraw/zinc/37/50/67/176375067.db2.gz OOXMTNZJJNAXMA-NXEZZACHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[NH+]1CCCCCC1 ZINC000309144876 176396828 /nfs/dbraw/zinc/39/68/28/176396828.db2.gz UWKUIIFAZALRAX-CHWSQXEVSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H](c1cccnc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000289580563 177045123 /nfs/dbraw/zinc/04/51/23/177045123.db2.gz HHBQEENJBJKBQY-GFCCVEGCSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289580563 177045125 /nfs/dbraw/zinc/04/51/25/177045125.db2.gz HHBQEENJBJKBQY-GFCCVEGCSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000308692378 177084716 /nfs/dbraw/zinc/08/47/16/177084716.db2.gz AVTJRXXNPYPMOL-CMPLNLGQSA-N 2 2 207.321 2.468 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221149939 177088740 /nfs/dbraw/zinc/08/87/40/177088740.db2.gz RBFRUAUQEKSJRO-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221149939 177088741 /nfs/dbraw/zinc/08/87/41/177088741.db2.gz RBFRUAUQEKSJRO-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000336678295 177097450 /nfs/dbraw/zinc/09/74/50/177097450.db2.gz BQCYJTCCESXUMR-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000336678295 177097451 /nfs/dbraw/zinc/09/74/51/177097451.db2.gz BQCYJTCCESXUMR-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000041041885 177123105 /nfs/dbraw/zinc/12/31/05/177123105.db2.gz XRVOIRHCDDYNRS-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC[NH+]1CCCC1 ZINC000020126768 177130537 /nfs/dbraw/zinc/13/05/37/177130537.db2.gz ZCSBFTSDRFTJLR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000040638502 177137199 /nfs/dbraw/zinc/13/71/99/177137199.db2.gz OWISOBHIGYUPGJ-RYUDHWBXSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@H]1CC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000336321403 177189704 /nfs/dbraw/zinc/18/97/04/177189704.db2.gz RKWDMKKLZGYIRH-AAEUAGOBSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC000336739015 177235738 /nfs/dbraw/zinc/23/57/38/177235738.db2.gz KUJMAFICJLHYSU-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC000336739015 177235740 /nfs/dbraw/zinc/23/57/40/177235740.db2.gz KUJMAFICJLHYSU-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162805 177236209 /nfs/dbraw/zinc/23/62/09/177236209.db2.gz ZUECKLPEXPVAIG-VOAKCMCISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162805 177236210 /nfs/dbraw/zinc/23/62/10/177236210.db2.gz ZUECKLPEXPVAIG-VOAKCMCISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831596 177236378 /nfs/dbraw/zinc/23/63/78/177236378.db2.gz YSLVXMTWRFQXEK-RFGFWPKPSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831596 177236380 /nfs/dbraw/zinc/23/63/80/177236380.db2.gz YSLVXMTWRFQXEK-RFGFWPKPSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000309140256 177237278 /nfs/dbraw/zinc/23/72/78/177237278.db2.gz SXDBBGGPTNHVMF-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000309140256 177237279 /nfs/dbraw/zinc/23/72/79/177237279.db2.gz SXDBBGGPTNHVMF-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000336783183 177241268 /nfs/dbraw/zinc/24/12/68/177241268.db2.gz ZQQQWRHJYIYOFQ-AAEUAGOBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000336783183 177241269 /nfs/dbraw/zinc/24/12/69/177241269.db2.gz ZQQQWRHJYIYOFQ-AAEUAGOBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1[NH3+] ZINC000235716430 177264430 /nfs/dbraw/zinc/26/44/30/177264430.db2.gz AYGGHLKHHXGNKL-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1[NH3+] ZINC000235716430 177264432 /nfs/dbraw/zinc/26/44/32/177264432.db2.gz AYGGHLKHHXGNKL-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000336779415 177344796 /nfs/dbraw/zinc/34/47/96/177344796.db2.gz OENULYZSLPRVHO-QWHCGFSZSA-N 2 2 224.392 2.354 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000336779415 177344797 /nfs/dbraw/zinc/34/47/97/177344797.db2.gz OENULYZSLPRVHO-QWHCGFSZSA-N 2 2 224.392 2.354 20 0 BEADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000041063999 177352123 /nfs/dbraw/zinc/35/21/23/177352123.db2.gz OIYQSLWQTBLTQX-AAEUAGOBSA-N 2 2 245.326 2.389 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000131677280 177361531 /nfs/dbraw/zinc/36/15/31/177361531.db2.gz OWRKWVDSZBYOPJ-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000131677280 177361534 /nfs/dbraw/zinc/36/15/34/177361534.db2.gz OWRKWVDSZBYOPJ-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000227605605 177371455 /nfs/dbraw/zinc/37/14/55/177371455.db2.gz QWLHOFMKXYBXAW-YVECIDJPSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000352811022 177371783 /nfs/dbraw/zinc/37/17/83/177371783.db2.gz RGENIGKACDGMLY-DYEKYZERSA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000352811022 177371784 /nfs/dbraw/zinc/37/17/84/177371784.db2.gz RGENIGKACDGMLY-DYEKYZERSA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000336779416 177382124 /nfs/dbraw/zinc/38/21/24/177382124.db2.gz OENULYZSLPRVHO-STQMWFEESA-N 2 2 224.392 2.354 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000336779416 177382126 /nfs/dbraw/zinc/38/21/26/177382126.db2.gz OENULYZSLPRVHO-STQMWFEESA-N 2 2 224.392 2.354 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2Cc2[nH+]ccn2C)C[C@@H]1C ZINC000296142659 177391132 /nfs/dbraw/zinc/39/11/32/177391132.db2.gz ZVNNMBFXJHRDDP-WDEREUQCSA-N 2 2 244.342 2.036 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000358145211 177391833 /nfs/dbraw/zinc/39/18/33/177391833.db2.gz ZAIASVKETLNLGF-VZAMPYOESA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000358145211 177391834 /nfs/dbraw/zinc/39/18/34/177391834.db2.gz ZAIASVKETLNLGF-VZAMPYOESA-N 2 2 244.382 2.460 20 0 BEADLP Cc1ccsc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000087309929 487639945 /nfs/dbraw/zinc/63/99/45/487639945.db2.gz KHTLCLQOTISRIW-NSHDSACASA-N 2 2 224.373 2.288 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000674879653 487641775 /nfs/dbraw/zinc/64/17/75/487641775.db2.gz WCMNRJZYJDAQBJ-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000674879653 487641778 /nfs/dbraw/zinc/64/17/78/487641778.db2.gz WCMNRJZYJDAQBJ-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP CC(C)(C)[NH2+]CC[NH+]1CCc2ccccc2CC1 ZINC000079571803 487642373 /nfs/dbraw/zinc/64/23/73/487642373.db2.gz SCFFNZNZQCVPCC-UHFFFAOYSA-N 2 2 246.398 2.475 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000469473014 225043612 /nfs/dbraw/zinc/04/36/12/225043612.db2.gz UEJVAOVQEDJOHQ-BFHYXJOUSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000469473014 225043615 /nfs/dbraw/zinc/04/36/15/225043615.db2.gz UEJVAOVQEDJOHQ-BFHYXJOUSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)c1 ZINC000488337744 225380187 /nfs/dbraw/zinc/38/01/87/225380187.db2.gz UKNJQVGAOAVHKL-KGLIPLIRSA-N 2 2 245.370 2.168 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000494357274 226264253 /nfs/dbraw/zinc/26/42/53/226264253.db2.gz OSWYSRGIZOCVOB-CYBMUJFWSA-N 2 2 244.423 2.225 20 0 BEADLP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400364199 226341772 /nfs/dbraw/zinc/34/17/72/226341772.db2.gz DHPZBNNMDWNSHA-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400364202 226341867 /nfs/dbraw/zinc/34/18/67/226341867.db2.gz DHPZBNNMDWNSHA-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400551489 226346380 /nfs/dbraw/zinc/34/63/80/226346380.db2.gz XQDPTGLIZZSVNV-UKRRQHHQSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400551490 226346387 /nfs/dbraw/zinc/34/63/87/226346387.db2.gz XQDPTGLIZZSVNV-ZFWWWQNUSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228089 487655960 /nfs/dbraw/zinc/65/59/60/487655960.db2.gz MBJWNKOIURBKHT-DMWPJOQESA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228089 487655966 /nfs/dbraw/zinc/65/59/66/487655966.db2.gz MBJWNKOIURBKHT-DMWPJOQESA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424192112 229159411 /nfs/dbraw/zinc/15/94/11/229159411.db2.gz INDOGOOBXBHLLE-HQRZJTNHSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424192112 229159417 /nfs/dbraw/zinc/15/94/17/229159417.db2.gz INDOGOOBXBHLLE-HQRZJTNHSA-N 2 2 234.387 2.390 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000088162103 487706758 /nfs/dbraw/zinc/70/67/58/487706758.db2.gz NPAHVCVUELPQJF-YPMHNXCESA-N 2 2 204.317 2.008 20 0 BEADLP COc1c(C)cccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000076693084 487745557 /nfs/dbraw/zinc/74/55/57/487745557.db2.gz ITKRWOAFFNDLAP-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2COC(C)(C)C2)c[nH+]1 ZINC000668436028 487751064 /nfs/dbraw/zinc/75/10/64/487751064.db2.gz VDXZDTDUTWMPKT-AWEZNQCLSA-N 2 2 248.370 2.480 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000459349480 487760882 /nfs/dbraw/zinc/76/08/82/487760882.db2.gz DZLNMTBXSSVVBG-HNNXBMFYSA-N 2 2 241.338 2.410 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000459349480 487760888 /nfs/dbraw/zinc/76/08/88/487760888.db2.gz DZLNMTBXSSVVBG-HNNXBMFYSA-N 2 2 241.338 2.410 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccccc1C1CC1 ZINC000382971434 487768572 /nfs/dbraw/zinc/76/85/72/487768572.db2.gz DIUYVIBWEQQBLX-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1C1CC1 ZINC000382971434 487768579 /nfs/dbraw/zinc/76/85/79/487768579.db2.gz DIUYVIBWEQQBLX-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC000300666712 487788813 /nfs/dbraw/zinc/78/88/13/487788813.db2.gz HOCHMQQRBPDLDZ-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCO1 ZINC000300666712 487788819 /nfs/dbraw/zinc/78/88/19/487788819.db2.gz HOCHMQQRBPDLDZ-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCc2c[nH+]cn2C)s1 ZINC000297566260 487794843 /nfs/dbraw/zinc/79/48/43/487794843.db2.gz CNGGNTPZNLZXRT-UHFFFAOYSA-N 2 2 249.383 2.465 20 0 BEADLP Cc1ccc(C[N@H+](C)CCc2c[nH+]cn2C)s1 ZINC000297566260 487794847 /nfs/dbraw/zinc/79/48/47/487794847.db2.gz CNGGNTPZNLZXRT-UHFFFAOYSA-N 2 2 249.383 2.465 20 0 BEADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000651751806 487825502 /nfs/dbraw/zinc/82/55/02/487825502.db2.gz ILRSXZCOBYFGNX-FRRDWIJNSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000414932892 487830505 /nfs/dbraw/zinc/83/05/05/487830505.db2.gz WDMANDTWGROWHG-HUUCEWRRSA-N 3 2 247.386 2.182 20 0 BEADLP CCCC[C@@H](CC)CC[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091166 487837320 /nfs/dbraw/zinc/83/73/20/487837320.db2.gz BWINZOIWSBKLJK-KGLIPLIRSA-N 2 2 242.407 2.171 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000681743422 487851038 /nfs/dbraw/zinc/85/10/38/487851038.db2.gz LRJQAMSYXKYAFE-WCQYABFASA-N 2 2 233.359 2.366 20 0 BEADLP CC1(C)C[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1C1CC1 ZINC000668178095 487864934 /nfs/dbraw/zinc/86/49/34/487864934.db2.gz NGAPFXHVAPGDSY-CQSZACIVSA-N 2 2 245.370 2.450 20 0 BEADLP CC1(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1C1CC1 ZINC000668178095 487864937 /nfs/dbraw/zinc/86/49/37/487864937.db2.gz NGAPFXHVAPGDSY-CQSZACIVSA-N 2 2 245.370 2.450 20 0 BEADLP c1ccc2c(c1)ccnc2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000666814081 487867621 /nfs/dbraw/zinc/86/76/21/487867621.db2.gz FNXDIPZLMLPRJH-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cscc1Cl ZINC000666741124 487869112 /nfs/dbraw/zinc/86/91/12/487869112.db2.gz VUTCFXNPDHGZCH-JTQLQIEISA-N 2 2 232.780 2.474 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cscc1Cl)C1CC1 ZINC000666746366 487870535 /nfs/dbraw/zinc/87/05/35/487870535.db2.gz ZLPZOGNWOARWLR-JTQLQIEISA-N 2 2 230.764 2.228 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cscc1Cl ZINC000666910451 487901468 /nfs/dbraw/zinc/90/14/68/487901468.db2.gz OXXDDRACFKFPBV-MRVPVSSYSA-N 2 2 218.753 2.228 20 0 BEADLP Cc1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1F ZINC000668539257 487903946 /nfs/dbraw/zinc/90/39/46/487903946.db2.gz QOCHTGVFDZQQMN-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP Cc1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1F ZINC000668539257 487903952 /nfs/dbraw/zinc/90/39/52/487903952.db2.gz QOCHTGVFDZQQMN-UHFFFAOYSA-N 2 2 236.334 2.128 20 0 BEADLP CCc1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668538996 487904081 /nfs/dbraw/zinc/90/40/81/487904081.db2.gz JSCCKFFPGWJBDF-UHFFFAOYSA-N 2 2 232.371 2.242 20 0 BEADLP CCc1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668538996 487904087 /nfs/dbraw/zinc/90/40/87/487904087.db2.gz JSCCKFFPGWJBDF-UHFFFAOYSA-N 2 2 232.371 2.242 20 0 BEADLP C[C@@H]1CCC[C@@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539976 487904523 /nfs/dbraw/zinc/90/45/23/487904523.db2.gz SEHLCDFHNFLCEP-CHWSQXEVSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]1CCC[C@@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539976 487904527 /nfs/dbraw/zinc/90/45/27/487904527.db2.gz SEHLCDFHNFLCEP-CHWSQXEVSA-N 2 2 224.392 2.306 20 0 BEADLP C[N@H+](C/C=C\c1ccc(F)cc1)CC1C[NH+](C)C1 ZINC000668539737 487905368 /nfs/dbraw/zinc/90/53/68/487905368.db2.gz KHHPBNLKDGVILH-ARJAWSKDSA-N 2 2 248.345 2.332 20 0 BEADLP C[N@@H+](C/C=C\c1ccc(F)cc1)CC1C[NH+](C)C1 ZINC000668539737 487905371 /nfs/dbraw/zinc/90/53/71/487905371.db2.gz KHHPBNLKDGVILH-ARJAWSKDSA-N 2 2 248.345 2.332 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cscc1Cl ZINC000666930286 487906945 /nfs/dbraw/zinc/90/69/45/487906945.db2.gz VQWKECLBIGLFQI-RQJHMYQMSA-N 2 2 218.753 2.227 20 0 BEADLP CCCC(CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947071 487908521 /nfs/dbraw/zinc/90/85/21/487908521.db2.gz YCCWLLJCDFKQTM-JQWIXIFHSA-N 2 2 216.344 2.245 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946423 487909980 /nfs/dbraw/zinc/90/99/80/487909980.db2.gz BHDOHLZFGYEKPH-RVMXOQNASA-N 2 2 230.371 2.491 20 0 BEADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946425 487909585 /nfs/dbraw/zinc/90/95/85/487909585.db2.gz BHDOHLZFGYEKPH-XQHKEYJVSA-N 2 2 230.371 2.491 20 0 BEADLP CC1(C)CCC(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666945405 487910195 /nfs/dbraw/zinc/91/01/95/487910195.db2.gz OINFIVOVLSNDHD-STQMWFEESA-N 2 2 242.382 2.492 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666946542 487911384 /nfs/dbraw/zinc/91/13/84/487911384.db2.gz ICFQFSXWYCIBBT-VOAKCMCISA-N 2 2 228.355 2.245 20 0 BEADLP CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946505 487911403 /nfs/dbraw/zinc/91/14/03/487911403.db2.gz GBRRXFDXUYARSW-SRVKXCTJSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000083427822 487910973 /nfs/dbraw/zinc/91/09/73/487910973.db2.gz PGVDUCUULBKEHU-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP CC(C)C1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946555 487911726 /nfs/dbraw/zinc/91/17/26/487911726.db2.gz IXNITGYAMJKXMV-YIOUJQMASA-N 2 2 242.382 2.491 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000666947617 487911696 /nfs/dbraw/zinc/91/16/96/487911696.db2.gz DBSFQQXSIJRVEV-AJNGGQMLSA-N 2 2 248.345 2.080 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947821 487912543 /nfs/dbraw/zinc/91/25/43/487912543.db2.gz JOZGBKJKGXPLEL-WUHRBBMRSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417361055 487925020 /nfs/dbraw/zinc/92/50/20/487925020.db2.gz YGKJHOMKCZFTPE-NEPJUHHUSA-N 2 2 210.365 2.105 20 0 BEADLP CC1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397989905 322810014 /nfs/dbraw/zinc/81/00/14/322810014.db2.gz WFWFRKJCEKSCEG-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP CC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000562340741 323017123 /nfs/dbraw/zinc/01/71/23/323017123.db2.gz IYFXMBRLGFDUTI-LLVKDONJSA-N 2 2 219.332 2.389 20 0 BEADLP CC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000562340741 323017124 /nfs/dbraw/zinc/01/71/24/323017124.db2.gz IYFXMBRLGFDUTI-LLVKDONJSA-N 2 2 219.332 2.389 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(O)c2)n1C ZINC000565238791 323035938 /nfs/dbraw/zinc/03/59/38/323035938.db2.gz SBVAKLYJSKAMPH-JTQLQIEISA-N 2 2 245.326 2.285 20 0 BEADLP CCCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000570175779 323052057 /nfs/dbraw/zinc/05/20/57/323052057.db2.gz LSEFWFACAHVWEX-UHFFFAOYSA-N 2 2 210.365 2.380 20 0 BEADLP CCCCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000570175779 323052058 /nfs/dbraw/zinc/05/20/58/323052058.db2.gz LSEFWFACAHVWEX-UHFFFAOYSA-N 2 2 210.365 2.380 20 0 BEADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1CCCO1 ZINC000570679698 323066693 /nfs/dbraw/zinc/06/66/93/323066693.db2.gz UZDOBFSGOZMNDR-LSDHHAIUSA-N 2 2 248.370 2.480 20 0 BEADLP CC(C)n1cc([C@@H](C)[NH2+]CCC[NH+](C)C)cn1 ZINC000151956194 323077444 /nfs/dbraw/zinc/07/74/44/323077444.db2.gz AXQHYCGSEXQMCE-GFCCVEGCSA-N 2 2 238.379 2.066 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CC1(C)C ZINC000397760544 323091823 /nfs/dbraw/zinc/09/18/23/323091823.db2.gz DXMVOKVSTASWPL-WDEREUQCSA-N 2 2 207.321 2.324 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000563095779 323091896 /nfs/dbraw/zinc/09/18/96/323091896.db2.gz BXISMVQGFUEPMJ-LBPRGKRZSA-N 2 2 247.386 2.000 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000571062695 323106062 /nfs/dbraw/zinc/10/60/62/323106062.db2.gz YTAOEWCTLMFPDT-DABQJJPHSA-N 2 2 227.311 2.222 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563438475 323125562 /nfs/dbraw/zinc/12/55/62/323125562.db2.gz DTLXIKFVDOVOQL-VHSXEESVSA-N 2 2 209.337 2.253 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC(F)(F)C2)n1C ZINC000563440635 323126026 /nfs/dbraw/zinc/12/60/26/323126026.db2.gz NCXHSKGDJDQSFC-SNVBAGLBSA-N 2 2 243.301 2.396 20 0 BEADLP C[C@H]1C[C@H](C)C[NH+](CCCc2c[nH+]cn2C)C1 ZINC000571104978 323135562 /nfs/dbraw/zinc/13/55/62/323135562.db2.gz ZEUIJMJKMGZUAL-STQMWFEESA-N 2 2 235.375 2.331 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]CC1Cc2ccccc2C1 ZINC000571369839 323142840 /nfs/dbraw/zinc/14/28/40/323142840.db2.gz GSRLNKCLVXQPPE-UHFFFAOYSA-N 2 2 246.398 2.331 20 0 BEADLP Cc1ccncc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395091958 323186949 /nfs/dbraw/zinc/18/69/49/323186949.db2.gz VFAIHQFWQRTACP-OCCSQVGLSA-N 2 2 233.359 2.010 20 0 BEADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544025 323249675 /nfs/dbraw/zinc/24/96/75/323249675.db2.gz XUKGALSPUJRSFG-UKRRQHHQSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544025 323249679 /nfs/dbraw/zinc/24/96/79/323249679.db2.gz XUKGALSPUJRSFG-UKRRQHHQSA-N 2 2 232.371 2.301 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000532523013 323272346 /nfs/dbraw/zinc/27/23/46/323272346.db2.gz QFFZZQWSPSCIOL-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000532523013 323272349 /nfs/dbraw/zinc/27/23/49/323272349.db2.gz QFFZZQWSPSCIOL-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325097420 323310246 /nfs/dbraw/zinc/31/02/46/323310246.db2.gz PXDMDEWOHKOKAS-KBPBESRZSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325097420 323310247 /nfs/dbraw/zinc/31/02/47/323310247.db2.gz PXDMDEWOHKOKAS-KBPBESRZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C ZINC000321106105 323377083 /nfs/dbraw/zinc/37/70/83/323377083.db2.gz PURQYAXOLPIXBV-XQQFMLRXSA-N 2 2 221.348 2.297 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396712860 323653568 /nfs/dbraw/zinc/65/35/68/323653568.db2.gz RTCWMQGLBVLNPQ-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537306 324329792 /nfs/dbraw/zinc/32/97/92/324329792.db2.gz VHPTXERDKSEGOZ-JQWIXIFHSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537306 324329796 /nfs/dbraw/zinc/32/97/96/324329796.db2.gz VHPTXERDKSEGOZ-JQWIXIFHSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[N@H+](C)C1CC1 ZINC000529539319 324330827 /nfs/dbraw/zinc/33/08/27/324330827.db2.gz VEGDQDGJWZHPEH-NXEZZACHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)[N@@H+](C)C1CC1 ZINC000529539319 324330832 /nfs/dbraw/zinc/33/08/32/324330832.db2.gz VEGDQDGJWZHPEH-NXEZZACHSA-N 2 2 246.345 2.493 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC12CC(C1)CO2 ZINC000529665215 324373409 /nfs/dbraw/zinc/37/34/09/324373409.db2.gz XXQBFAVHPXYKKO-UHFFFAOYSA-N 2 2 246.354 2.091 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530178657 324509621 /nfs/dbraw/zinc/50/96/21/324509621.db2.gz PKQKAFYZSOQFTR-CQSZACIVSA-N 2 2 246.354 2.069 20 0 BEADLP CC[NH+]1CCC(CNc2[nH+]cccc2OC)CC1 ZINC000127959242 324796390 /nfs/dbraw/zinc/79/63/90/324796390.db2.gz YRISSRHBOAFLOC-UHFFFAOYSA-N 2 2 249.358 2.234 20 0 BEADLP CSC1(C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000304315722 324816700 /nfs/dbraw/zinc/81/67/00/324816700.db2.gz RFLUXJOYQLCYLO-UHFFFAOYSA-N 2 2 239.388 2.149 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000070717620 325026296 /nfs/dbraw/zinc/02/62/96/325026296.db2.gz VQJQQTZEXOLNCT-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000070717620 325026299 /nfs/dbraw/zinc/02/62/99/325026299.db2.gz VQJQQTZEXOLNCT-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131130282 325117504 /nfs/dbraw/zinc/11/75/04/325117504.db2.gz CSGMTJNQLGQCPH-SMDDNHRTSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131130282 325117509 /nfs/dbraw/zinc/11/75/09/325117509.db2.gz CSGMTJNQLGQCPH-SMDDNHRTSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131129655 325120961 /nfs/dbraw/zinc/12/09/61/325120961.db2.gz CSGMTJNQLGQCPH-RISCZKNCSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131129655 325120962 /nfs/dbraw/zinc/12/09/62/325120962.db2.gz CSGMTJNQLGQCPH-RISCZKNCSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccoc1 ZINC000547979722 325417480 /nfs/dbraw/zinc/41/74/80/325417480.db2.gz VILGRJMCBXBGQI-PWSUYJOCSA-N 2 2 231.299 2.142 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(C)cc2)n1C ZINC000565243023 325885758 /nfs/dbraw/zinc/88/57/58/325885758.db2.gz VGWLHYMCHKSJFT-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2nccn21 ZINC000565769137 325953685 /nfs/dbraw/zinc/95/36/85/325953685.db2.gz HZZFLHWVZGXUEN-LPWJVIDDSA-N 2 2 248.374 2.139 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CO2 ZINC000566791071 326082549 /nfs/dbraw/zinc/08/25/49/326082549.db2.gz NQHAANNIKOHYSH-KWCYVHTRSA-N 2 2 246.354 2.159 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000154636309 326155363 /nfs/dbraw/zinc/15/53/63/326155363.db2.gz UGINAPLLVHVDBI-STQMWFEESA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000154636309 326155365 /nfs/dbraw/zinc/15/53/65/326155365.db2.gz UGINAPLLVHVDBI-STQMWFEESA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)C1 ZINC000567522085 326210308 /nfs/dbraw/zinc/21/03/08/326210308.db2.gz FUXNYSNWRZDEQC-ROKHWSDSSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156355045 326228965 /nfs/dbraw/zinc/22/89/65/326228965.db2.gz GOANMDHHKRYJHC-ZDUSSCGKSA-N 2 2 220.316 2.335 20 0 BEADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC(C)(C)C ZINC000313304731 326262222 /nfs/dbraw/zinc/26/22/22/326262222.db2.gz RRDQJPNDLKHWQX-QWHCGFSZSA-N 2 2 242.407 2.169 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCC(C)(C)C ZINC000313304730 326262470 /nfs/dbraw/zinc/26/24/70/326262470.db2.gz RRDQJPNDLKHWQX-OLZOCXBDSA-N 2 2 242.407 2.169 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000569235842 326396873 /nfs/dbraw/zinc/39/68/73/326396873.db2.gz ZWEPABXFLNUYBA-GFCCVEGCSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000569235842 326396874 /nfs/dbraw/zinc/39/68/74/326396874.db2.gz ZWEPABXFLNUYBA-GFCCVEGCSA-N 2 2 219.332 2.010 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)c[nH+]1 ZINC000682523132 487976186 /nfs/dbraw/zinc/97/61/86/487976186.db2.gz QVSQEEUUHNBYHU-KGLIPLIRSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)c[nH+]1 ZINC000682523132 487976190 /nfs/dbraw/zinc/97/61/90/487976190.db2.gz QVSQEEUUHNBYHU-KGLIPLIRSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)c[nH+]1 ZINC000682523137 487976709 /nfs/dbraw/zinc/97/67/09/487976709.db2.gz QVSQEEUUHNBYHU-ZIAGYGMSSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)c[nH+]1 ZINC000682523137 487976715 /nfs/dbraw/zinc/97/67/15/487976715.db2.gz QVSQEEUUHNBYHU-ZIAGYGMSSA-N 2 2 249.358 2.089 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400539180 533712447 /nfs/dbraw/zinc/71/24/47/533712447.db2.gz ULHQOUWLRYTIMM-XUJVJEKNSA-N 2 2 248.370 2.486 20 0 BEADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CCC1 ZINC000671195005 488006476 /nfs/dbraw/zinc/00/64/76/488006476.db2.gz VLGYLRFNYFICJV-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000668617495 488014514 /nfs/dbraw/zinc/01/45/14/488014514.db2.gz YXFDJDXROAIWQI-RDBSUJKOSA-N 2 2 224.392 2.352 20 0 BEADLP c1[nH+]c2n(c1C[NH+]1CCCCCC1)CCC2 ZINC000667470561 488016110 /nfs/dbraw/zinc/01/61/10/488016110.db2.gz BLDNTYBMEZBQFS-UHFFFAOYSA-N 2 2 219.332 2.205 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667471514 488017437 /nfs/dbraw/zinc/01/74/37/488017437.db2.gz APAJBBLBZBQYJR-GFCCVEGCSA-N 2 2 221.348 2.493 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667471514 488017440 /nfs/dbraw/zinc/01/74/40/488017440.db2.gz APAJBBLBZBQYJR-GFCCVEGCSA-N 2 2 221.348 2.493 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)o1 ZINC000049553858 488017649 /nfs/dbraw/zinc/01/76/49/488017649.db2.gz HEQKCJAJYHCCNH-VIFPVBQESA-N 2 2 230.739 2.363 20 0 BEADLP Cc1[nH+]cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000667472783 488019271 /nfs/dbraw/zinc/01/92/71/488019271.db2.gz PGAMBFOVIVEIFB-GHMZBOCLSA-N 2 2 221.348 2.206 20 0 BEADLP CC[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1O ZINC000353816856 488021041 /nfs/dbraw/zinc/02/10/41/488021041.db2.gz QALDHSSYSUFAKN-GJZGRUSLSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1O ZINC000353816856 488021043 /nfs/dbraw/zinc/02/10/43/488021043.db2.gz QALDHSSYSUFAKN-GJZGRUSLSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(F)cc2)n1C ZINC000667476782 488021060 /nfs/dbraw/zinc/02/10/60/488021060.db2.gz JSPWCIRDWZUMDG-UHFFFAOYSA-N 2 2 247.317 2.500 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(F)cc2)n1C ZINC000667476782 488021062 /nfs/dbraw/zinc/02/10/62/488021062.db2.gz JSPWCIRDWZUMDG-UHFFFAOYSA-N 2 2 247.317 2.500 20 0 BEADLP Cc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000235893843 488028290 /nfs/dbraw/zinc/02/82/90/488028290.db2.gz LBXRKHHEGVWKTC-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC(C)(C)CC2)n1C ZINC000667588725 488053926 /nfs/dbraw/zinc/05/39/26/488053926.db2.gz CFKQHGXJMSHDEQ-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP CC1(C)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621570 488061325 /nfs/dbraw/zinc/06/13/25/488061325.db2.gz OKGZYADXAIPVDE-UHFFFAOYSA-N 2 2 219.332 2.061 20 0 BEADLP CC1(C)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621570 488061331 /nfs/dbraw/zinc/06/13/31/488061331.db2.gz OKGZYADXAIPVDE-UHFFFAOYSA-N 2 2 219.332 2.061 20 0 BEADLP c1[nH+]c2n(c1C[NH+]1C[C@H]3CCC[C@@H]3C1)CCC2 ZINC000667642912 488067899 /nfs/dbraw/zinc/06/78/99/488067899.db2.gz NZYLVVWSDUDSJF-VXGBXAGGSA-N 2 2 231.343 2.061 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667650032 488072401 /nfs/dbraw/zinc/07/24/01/488072401.db2.gz KCMXAFSYWUAFBH-NEPJUHHUSA-N 2 2 233.359 2.450 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)n1C ZINC000667649648 488073252 /nfs/dbraw/zinc/07/32/52/488073252.db2.gz ZPDPZCTXZTZVPH-WDEREUQCSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)n1C ZINC000667650363 488073297 /nfs/dbraw/zinc/07/32/97/488073297.db2.gz VRLAMHKETDPMAM-GHMZBOCLSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C(C)C)C2CCC2)n1C ZINC000667664780 488080128 /nfs/dbraw/zinc/08/01/28/488080128.db2.gz SJHFXJHCGBCHBA-UHFFFAOYSA-N 2 2 221.348 2.491 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)n1C ZINC000667695751 488089998 /nfs/dbraw/zinc/08/99/98/488089998.db2.gz APYXNFYSLSNNLK-JTQLQIEISA-N 2 2 221.348 2.349 20 0 BEADLP Cc1ccnc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000683016100 488093121 /nfs/dbraw/zinc/09/31/21/488093121.db2.gz UVDCAZTWQAMUGN-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000389402016 488094286 /nfs/dbraw/zinc/09/42/86/488094286.db2.gz PVJXDKVBJJRZEQ-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000389402016 488094290 /nfs/dbraw/zinc/09/42/90/488094290.db2.gz PVJXDKVBJJRZEQ-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H]1CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667758630 488108034 /nfs/dbraw/zinc/10/80/34/488108034.db2.gz KKXCABPUUFZEKN-GFCCVEGCSA-N 2 2 219.332 2.060 20 0 BEADLP CC(C)[C@H]1CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667758630 488108036 /nfs/dbraw/zinc/10/80/36/488108036.db2.gz KKXCABPUUFZEKN-GFCCVEGCSA-N 2 2 219.332 2.060 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076583838 488125381 /nfs/dbraw/zinc/12/53/81/488125381.db2.gz COFYQIBAERWCSC-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C)cc1C ZINC000076583838 488125386 /nfs/dbraw/zinc/12/53/86/488125386.db2.gz COFYQIBAERWCSC-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000677810390 488128864 /nfs/dbraw/zinc/12/88/64/488128864.db2.gz MDGPAPZFZACVFI-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP CC[N@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000677810390 488128868 /nfs/dbraw/zinc/12/88/68/488128868.db2.gz MDGPAPZFZACVFI-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@@H]1CC1(C)C ZINC000397653404 488129467 /nfs/dbraw/zinc/12/94/67/488129467.db2.gz MGAZSFYNXJMOMP-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@@H]1CC1(C)C ZINC000397653404 488129472 /nfs/dbraw/zinc/12/94/72/488129472.db2.gz MGAZSFYNXJMOMP-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)CC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC000403717299 488133991 /nfs/dbraw/zinc/13/39/91/488133991.db2.gz YYUXNIKSSHNZED-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000086729368 487539239 /nfs/dbraw/zinc/53/92/39/487539239.db2.gz ZXSCSYNNRCBBJM-ZJUUUORDSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H]1[C@@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000668242953 487540633 /nfs/dbraw/zinc/54/06/33/487540633.db2.gz OXTZWNYXJOPQRV-IJLUTSLNSA-N 2 2 233.359 2.306 20 0 BEADLP C[C@H]1[C@@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000668242953 487540636 /nfs/dbraw/zinc/54/06/36/487540636.db2.gz OXTZWNYXJOPQRV-IJLUTSLNSA-N 2 2 233.359 2.306 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)n1C ZINC000668243176 487541396 /nfs/dbraw/zinc/54/13/96/487541396.db2.gz VCYGJFZMKMNKHS-AXFHLTTASA-N 2 2 221.348 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)n1C ZINC000668243176 487541398 /nfs/dbraw/zinc/54/13/98/487541398.db2.gz VCYGJFZMKMNKHS-AXFHLTTASA-N 2 2 221.348 2.205 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC1(C)CC1 ZINC000685462412 487530316 /nfs/dbraw/zinc/53/03/16/487530316.db2.gz DCMZJACMZQUQIO-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC1(C)CC1 ZINC000685462412 487530322 /nfs/dbraw/zinc/53/03/22/487530322.db2.gz DCMZJACMZQUQIO-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(O)cc1 ZINC000685462469 487530851 /nfs/dbraw/zinc/53/08/51/487530851.db2.gz CGVDRHMTBCTCRT-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(O)cc1 ZINC000685462469 487530854 /nfs/dbraw/zinc/53/08/54/487530854.db2.gz CGVDRHMTBCTCRT-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP CCC1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668229466 487491155 /nfs/dbraw/zinc/49/11/55/487491155.db2.gz JIVLELJSKPMUQW-UHFFFAOYSA-N 2 2 242.326 2.109 20 0 BEADLP C[N@@H+]1CC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000674065804 487506360 /nfs/dbraw/zinc/50/63/60/487506360.db2.gz WXHZGVZISXEZRG-LLVKDONJSA-N 2 2 248.374 2.138 20 0 BEADLP C[N@H+]1CC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000674065804 487506363 /nfs/dbraw/zinc/50/63/63/487506363.db2.gz WXHZGVZISXEZRG-LLVKDONJSA-N 2 2 248.374 2.138 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000324056092 487506371 /nfs/dbraw/zinc/50/63/71/487506371.db2.gz ZFFAEXHCYFDMHU-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000324056092 487506376 /nfs/dbraw/zinc/50/63/76/487506376.db2.gz ZFFAEXHCYFDMHU-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000094074160 487511581 /nfs/dbraw/zinc/51/15/81/487511581.db2.gz XJOJSRWKKAXUGW-LLVKDONJSA-N 2 2 244.260 2.157 20 0 BEADLP CC[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@H]1[NH3+] ZINC000662271561 487517187 /nfs/dbraw/zinc/51/71/87/487517187.db2.gz WSECGJPWMXCVJE-GXFFZTMASA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@H]1[NH3+] ZINC000662271561 487517195 /nfs/dbraw/zinc/51/71/95/487517195.db2.gz WSECGJPWMXCVJE-GXFFZTMASA-N 2 2 249.358 2.111 20 0 BEADLP C[C@H]1CC[C@]2(CC[N@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517983 487520977 /nfs/dbraw/zinc/52/09/77/487520977.db2.gz NTDNPIRXEMTCEY-ZFWWWQNUSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@H]1CC[C@]2(CC[N@@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517983 487520987 /nfs/dbraw/zinc/52/09/87/487520987.db2.gz NTDNPIRXEMTCEY-ZFWWWQNUSA-N 2 2 247.386 2.475 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000379777497 488152134 /nfs/dbraw/zinc/15/21/34/488152134.db2.gz AQSSUTLVWGMEDC-FRRDWIJNSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000379777497 488152137 /nfs/dbraw/zinc/15/21/37/488152137.db2.gz AQSSUTLVWGMEDC-FRRDWIJNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167331287 488156711 /nfs/dbraw/zinc/15/67/11/488156711.db2.gz MWBRJNJGMSJXEV-MNOVXSKESA-N 2 2 226.389 2.219 20 0 BEADLP Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc[nH+]1 ZINC000681383471 487789859 /nfs/dbraw/zinc/78/98/59/487789859.db2.gz MBZLBHMFOICXEO-CQSZACIVSA-N 2 2 242.326 2.428 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000657561504 488135214 /nfs/dbraw/zinc/13/52/14/488135214.db2.gz AXWVCQIDWWKPMK-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000657561504 488135209 /nfs/dbraw/zinc/13/52/09/488135209.db2.gz AXWVCQIDWWKPMK-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000258828480 488138196 /nfs/dbraw/zinc/13/81/96/488138196.db2.gz VQLSVFVSZVTOLZ-NSHDSACASA-N 2 2 204.317 2.089 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1F ZINC000258866214 488140070 /nfs/dbraw/zinc/14/00/70/488140070.db2.gz JFFIGIXUWQIGNI-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860637 488140700 /nfs/dbraw/zinc/14/07/00/488140700.db2.gz VHMAMHPYLRAFEB-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860637 488140703 /nfs/dbraw/zinc/14/07/03/488140703.db2.gz VHMAMHPYLRAFEB-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC3(COC3)C2)c[nH+]1 ZINC000668720341 488163112 /nfs/dbraw/zinc/16/31/12/488163112.db2.gz RRFWCWIFAUYXCH-UHFFFAOYSA-N 2 2 246.354 2.045 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC3(COC3)C2)c[nH+]1 ZINC000668720341 488163116 /nfs/dbraw/zinc/16/31/16/488163116.db2.gz RRFWCWIFAUYXCH-UHFFFAOYSA-N 2 2 246.354 2.045 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccncc2)n1C ZINC000667975970 488172786 /nfs/dbraw/zinc/17/27/86/488172786.db2.gz CCOQAZGBABYRJO-LLVKDONJSA-N 2 2 244.342 2.317 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccncc2)n1C ZINC000667975970 488172788 /nfs/dbraw/zinc/17/27/88/488172788.db2.gz CCOQAZGBABYRJO-LLVKDONJSA-N 2 2 244.342 2.317 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H](C)C2)n1C ZINC000668001628 488180734 /nfs/dbraw/zinc/18/07/34/488180734.db2.gz WGVPIXKAGFJSAU-NSHDSACASA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H](C)C2)n1C ZINC000668001628 488180740 /nfs/dbraw/zinc/18/07/40/488180740.db2.gz WGVPIXKAGFJSAU-NSHDSACASA-N 2 2 221.348 2.351 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668002999 488181410 /nfs/dbraw/zinc/18/14/10/488181410.db2.gz DUMRRUUDNLLNLC-MFKMUULPSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668002999 488181416 /nfs/dbraw/zinc/18/14/16/488181416.db2.gz DUMRRUUDNLLNLC-MFKMUULPSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668003000 488182080 /nfs/dbraw/zinc/18/20/80/488182080.db2.gz DUMRRUUDNLLNLC-ZWNOBZJWSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668003000 488182083 /nfs/dbraw/zinc/18/20/83/488182083.db2.gz DUMRRUUDNLLNLC-ZWNOBZJWSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)nc(C)[nH+]1 ZINC000664137860 488184216 /nfs/dbraw/zinc/18/42/16/488184216.db2.gz ACKRPBDNGZHHON-LBPRGKRZSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)nc(C)[nH+]1 ZINC000664137860 488184219 /nfs/dbraw/zinc/18/42/19/488184219.db2.gz ACKRPBDNGZHHON-LBPRGKRZSA-N 2 2 248.374 2.378 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H]3CCC[C@H]31)CCC2 ZINC000668013283 488185718 /nfs/dbraw/zinc/18/57/18/488185718.db2.gz UMIJCZRSOWWCAV-DGCLKSJQSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H]3CCC[C@H]31)CCC2 ZINC000668013283 488185725 /nfs/dbraw/zinc/18/57/25/488185725.db2.gz UMIJCZRSOWWCAV-DGCLKSJQSA-N 2 2 231.343 2.204 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1C ZINC000668013189 488185926 /nfs/dbraw/zinc/18/59/26/488185926.db2.gz RZMXBMLXFXZUPL-AAEUAGOBSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)n1C ZINC000668013189 488185928 /nfs/dbraw/zinc/18/59/28/488185928.db2.gz RZMXBMLXFXZUPL-AAEUAGOBSA-N 2 2 219.332 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC1(C)C ZINC000683769425 488217998 /nfs/dbraw/zinc/21/79/98/488217998.db2.gz UBFNTYGBGWPFPB-FPMFFAJLSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC1(C)C ZINC000683769425 488218002 /nfs/dbraw/zinc/21/80/02/488218002.db2.gz UBFNTYGBGWPFPB-FPMFFAJLSA-N 2 2 236.403 2.495 20 0 BEADLP c1cn(CC[NH2+]Cc2cc3ccccc3[nH]2)c[nH+]1 ZINC000683925920 488245965 /nfs/dbraw/zinc/24/59/65/488245965.db2.gz YONDSLDJJIFLKV-UHFFFAOYSA-N 2 2 240.310 2.154 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000684388962 488304183 /nfs/dbraw/zinc/30/41/83/488304183.db2.gz YPENKSOWQXEZAM-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000679068914 488305611 /nfs/dbraw/zinc/30/56/11/488305611.db2.gz SQDSEJCJLPYWQK-NWDGAFQWSA-N 2 2 249.358 2.293 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679068914 488305614 /nfs/dbraw/zinc/30/56/14/488305614.db2.gz SQDSEJCJLPYWQK-NWDGAFQWSA-N 2 2 249.358 2.293 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679074703 488306212 /nfs/dbraw/zinc/30/62/12/488306212.db2.gz UVSWRKGRRUSCOR-SCVCMEIPSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679074703 488306214 /nfs/dbraw/zinc/30/62/14/488306214.db2.gz UVSWRKGRRUSCOR-SCVCMEIPSA-N 2 2 244.329 2.247 20 0 BEADLP CC[NH+](CC)CCC[NH+]1CCC(F)(F)CC1 ZINC000684623514 488334534 /nfs/dbraw/zinc/33/45/34/488334534.db2.gz DZALSVMABBNTIX-UHFFFAOYSA-N 2 2 234.334 2.449 20 0 BEADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000679356841 488343835 /nfs/dbraw/zinc/34/38/35/488343835.db2.gz LXTPAWTYRBTONE-LLVKDONJSA-N 2 2 244.342 2.315 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CC=CCC2)[nH+]1 ZINC000679357466 488344560 /nfs/dbraw/zinc/34/45/60/488344560.db2.gz RZZZLNUVKOIOPY-UHFFFAOYSA-N 2 2 213.284 2.096 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CC=CCC2)[nH+]1 ZINC000679357466 488344561 /nfs/dbraw/zinc/34/45/61/488344561.db2.gz RZZZLNUVKOIOPY-UHFFFAOYSA-N 2 2 213.284 2.096 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000564825683 490201295 /nfs/dbraw/zinc/20/12/95/490201295.db2.gz CGMHWOZYCXKROB-WFASDCNBSA-N 2 2 248.370 2.234 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CCC23CCC3)c[nH+]1 ZINC000336697364 490269202 /nfs/dbraw/zinc/26/92/02/490269202.db2.gz ZARMSXNMIXJXBC-LBPRGKRZSA-N 2 2 219.332 2.196 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000328507873 490297945 /nfs/dbraw/zinc/29/79/45/490297945.db2.gz MCSXYBXZYWUMDI-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000328507873 490297949 /nfs/dbraw/zinc/29/79/49/490297949.db2.gz MCSXYBXZYWUMDI-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP COc1cc[nH+]cc1CNc1cc(C)[nH+]c(C)n1 ZINC000292834451 490331455 /nfs/dbraw/zinc/33/14/55/490331455.db2.gz UQUUTMOZNGGVCX-UHFFFAOYSA-N 2 2 244.298 2.109 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522050 490364201 /nfs/dbraw/zinc/36/42/01/490364201.db2.gz KLBZJJVKENGCCE-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522050 490364207 /nfs/dbraw/zinc/36/42/07/490364207.db2.gz KLBZJJVKENGCCE-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP CCCOc1cccc(C[N@H+](CC)CC[NH3+])c1 ZINC000231818607 490412435 /nfs/dbraw/zinc/41/24/35/490412435.db2.gz CFYSTALWJNETKN-UHFFFAOYSA-N 2 2 236.359 2.256 20 0 BEADLP CCCOc1cccc(C[N@@H+](CC)CC[NH3+])c1 ZINC000231818607 490412441 /nfs/dbraw/zinc/41/24/41/490412441.db2.gz CFYSTALWJNETKN-UHFFFAOYSA-N 2 2 236.359 2.256 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000300061149 490549738 /nfs/dbraw/zinc/54/97/38/490549738.db2.gz HVJJZBQXKZQDDK-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000300061149 490549742 /nfs/dbraw/zinc/54/97/42/490549742.db2.gz HVJJZBQXKZQDDK-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](OC)C1)C1CC1 ZINC000300514467 490565010 /nfs/dbraw/zinc/56/50/10/490565010.db2.gz HECFJNHCCBHNAF-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](OC)C1)C1CC1 ZINC000300514467 490565013 /nfs/dbraw/zinc/56/50/13/490565013.db2.gz HECFJNHCCBHNAF-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](C)SC1)C1CC1 ZINC000655704628 491062546 /nfs/dbraw/zinc/06/25/46/491062546.db2.gz HCELGOCDWGUIGA-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C)SC1)C1CC1 ZINC000655704628 491062547 /nfs/dbraw/zinc/06/25/47/491062547.db2.gz HCELGOCDWGUIGA-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CCc1cc(NC[C@@H]2CCC[N@H+]2CC)nc(C)[nH+]1 ZINC000088760125 491108326 /nfs/dbraw/zinc/10/83/26/491108326.db2.gz CIBHBLIKKQOPMK-ZDUSSCGKSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1cc(NC[C@@H]2CCC[N@@H+]2CC)nc(C)[nH+]1 ZINC000088760125 491108327 /nfs/dbraw/zinc/10/83/27/491108327.db2.gz CIBHBLIKKQOPMK-ZDUSSCGKSA-N 2 2 248.374 2.244 20 0 BEADLP CC1=C[C@H](C)C[C@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539572 491127415 /nfs/dbraw/zinc/12/74/15/491127415.db2.gz DFAGCHBGTOYXQM-JSGCOSHPSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=C[C@H](C)C[C@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539572 491127416 /nfs/dbraw/zinc/12/74/16/491127416.db2.gz DFAGCHBGTOYXQM-JSGCOSHPSA-N 2 2 236.403 2.472 20 0 BEADLP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000309373213 491147640 /nfs/dbraw/zinc/14/76/40/491147640.db2.gz QVWAHOZLNURSLY-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000309373213 491147641 /nfs/dbraw/zinc/14/76/41/491147641.db2.gz QVWAHOZLNURSLY-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134279716 491162899 /nfs/dbraw/zinc/16/28/99/491162899.db2.gz XFNYCVJQODUTLV-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134279716 491162900 /nfs/dbraw/zinc/16/29/00/491162900.db2.gz XFNYCVJQODUTLV-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400539181 533776282 /nfs/dbraw/zinc/77/62/82/533776282.db2.gz ULHQOUWLRYTIMM-YWPYICTPSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000487574464 533993051 /nfs/dbraw/zinc/99/30/51/533993051.db2.gz NGNKPQFSBMKYEM-QJPTWQEYSA-N 2 2 233.359 2.222 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1F ZINC000414934754 534084374 /nfs/dbraw/zinc/08/43/74/534084374.db2.gz TVPNZLGXYPJREA-BXUZGUMPSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000300359656 534257315 /nfs/dbraw/zinc/25/73/15/534257315.db2.gz MZSQXECDNBZURN-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000300359656 534257317 /nfs/dbraw/zinc/25/73/17/534257317.db2.gz MZSQXECDNBZURN-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000299924075 536180465 /nfs/dbraw/zinc/18/04/65/536180465.db2.gz YRWSOSOGGCGYMM-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000299924075 536180468 /nfs/dbraw/zinc/18/04/68/536180468.db2.gz YRWSOSOGGCGYMM-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP C[NH2+]C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000261546565 536439572 /nfs/dbraw/zinc/43/95/72/536439572.db2.gz GZWXEESHFKXYMF-VMPITWQZSA-N 2 2 230.355 2.384 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000261569549 536440150 /nfs/dbraw/zinc/44/01/50/536440150.db2.gz JZSKCHQQSGTYND-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP CC(C)CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000308613457 527704911 /nfs/dbraw/zinc/70/49/11/527704911.db2.gz JPVGAAIZQVODII-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178424643 535078080 /nfs/dbraw/zinc/07/80/80/535078080.db2.gz HSVBMVIOOUYKIK-ZDUSSCGKSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178424643 535078083 /nfs/dbraw/zinc/07/80/83/535078083.db2.gz HSVBMVIOOUYKIK-ZDUSSCGKSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000261541219 535307914 /nfs/dbraw/zinc/30/79/14/535307914.db2.gz AWWAKPPGAAZVBZ-CYBMUJFWSA-N 2 2 242.313 2.428 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000087771499 535327576 /nfs/dbraw/zinc/32/75/76/535327576.db2.gz MOSUSQVONNSUIA-NWDGAFQWSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000087771499 535327578 /nfs/dbraw/zinc/32/75/78/535327578.db2.gz MOSUSQVONNSUIA-NWDGAFQWSA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000178081001 535490191 /nfs/dbraw/zinc/49/01/91/535490191.db2.gz ABIZOZGJBGJGPT-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000178081001 535490199 /nfs/dbraw/zinc/49/01/99/535490199.db2.gz ABIZOZGJBGJGPT-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000226770204 535653674 /nfs/dbraw/zinc/65/36/74/535653674.db2.gz AUSJIBCVVLFIFE-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000226770204 535653677 /nfs/dbraw/zinc/65/36/77/535653677.db2.gz AUSJIBCVVLFIFE-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000262117197 535947035 /nfs/dbraw/zinc/94/70/35/535947035.db2.gz MZVMICPGNMMGHC-STQMWFEESA-N 2 2 222.307 2.228 20 0 BEADLP CCc1nc(N2CCc3c[nH+]ccc32)cc(C)[nH+]1 ZINC000342783225 536125219 /nfs/dbraw/zinc/12/52/19/536125219.db2.gz IFOUPPSIOBEUSX-UHFFFAOYSA-N 2 2 240.310 2.437 20 0 BEADLP CCc1ccc(C[N@H+](CC)CCC[NH+](C)C)cn1 ZINC000349359696 536172282 /nfs/dbraw/zinc/17/22/82/536172282.db2.gz ZPBQTUBSTHNJPD-UHFFFAOYSA-N 2 2 249.402 2.418 20 0 BEADLP CCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cn1 ZINC000349359696 536172284 /nfs/dbraw/zinc/17/22/84/536172284.db2.gz ZPBQTUBSTHNJPD-UHFFFAOYSA-N 2 2 249.402 2.418 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(F)C1 ZINC000334342708 536353086 /nfs/dbraw/zinc/35/30/86/536353086.db2.gz QFAFPKNFBQLHHS-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(F)C1 ZINC000334342708 536353089 /nfs/dbraw/zinc/35/30/89/536353089.db2.gz QFAFPKNFBQLHHS-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000334342708 536353091 /nfs/dbraw/zinc/35/30/91/536353091.db2.gz QFAFPKNFBQLHHS-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(F)C1 ZINC000334342708 536353092 /nfs/dbraw/zinc/35/30/92/536353092.db2.gz QFAFPKNFBQLHHS-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000053204694 536414683 /nfs/dbraw/zinc/41/46/83/536414683.db2.gz XYWNNNQWILXPBD-LBPRGKRZSA-N 2 2 248.374 2.097 20 0 BEADLP CO[C@@H](C)CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348011660 536871500 /nfs/dbraw/zinc/87/15/00/536871500.db2.gz UBXSFVFBUHTFSF-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC000251874083 566434693 /nfs/dbraw/zinc/43/46/93/566434693.db2.gz QSVKIAYQYQPCNO-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000251874083 566434698 /nfs/dbraw/zinc/43/46/98/566434698.db2.gz QSVKIAYQYQPCNO-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000892721661 582968561 /nfs/dbraw/zinc/96/85/61/582968561.db2.gz NABQEMXVDYPJRG-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000892721661 582968564 /nfs/dbraw/zinc/96/85/64/582968564.db2.gz NABQEMXVDYPJRG-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000853248736 588729077 /nfs/dbraw/zinc/72/90/77/588729077.db2.gz JNHZFBWYAHLMST-JTQLQIEISA-N 2 2 248.326 2.139 20 0 BEADLP Cc1cc[nH+]cc1Cc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000854132911 588776175 /nfs/dbraw/zinc/77/61/75/588776175.db2.gz MSDGKMYTFSIXGP-LBPRGKRZSA-N 2 2 246.314 2.020 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1CCCCO1 ZINC000858367599 582459969 /nfs/dbraw/zinc/45/99/69/582459969.db2.gz SJCSPVAYVBBSDO-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1CCCCO1 ZINC000858367599 582459972 /nfs/dbraw/zinc/45/99/72/582459972.db2.gz SJCSPVAYVBBSDO-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(NC[C@@H](C)[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000891754682 582716818 /nfs/dbraw/zinc/71/68/18/582716818.db2.gz BMUSSUUHEADWSS-LLVKDONJSA-N 2 2 248.374 2.415 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000393792891 582924952 /nfs/dbraw/zinc/92/49/52/582924952.db2.gz HUVNTYQSBAOGIU-QWHCGFSZSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000393792891 582924953 /nfs/dbraw/zinc/92/49/53/582924953.db2.gz HUVNTYQSBAOGIU-QWHCGFSZSA-N 2 2 222.376 2.249 20 0 BEADLP COC1CCC(C[NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000892785235 582981700 /nfs/dbraw/zinc/98/17/00/582981700.db2.gz DEVHYUMBOGOBHF-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP COC1CCC(C[NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000892785235 582981703 /nfs/dbraw/zinc/98/17/03/582981703.db2.gz DEVHYUMBOGOBHF-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc([NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1N ZINC000853248400 583031214 /nfs/dbraw/zinc/03/12/14/583031214.db2.gz SWWOVJNUDQUUAK-QWRGUYRKSA-N 2 2 219.332 2.259 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC000893322447 583100071 /nfs/dbraw/zinc/10/00/71/583100071.db2.gz UNMGHZLAXMNLIV-GFCCVEGCSA-N 2 2 232.437 2.450 20 0 BEADLP Cc1coc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000893954080 583261332 /nfs/dbraw/zinc/26/13/32/583261332.db2.gz JFOCGRSFOWLRPW-UHFFFAOYSA-N 2 2 222.332 2.114 20 0 BEADLP c1[nH]c(C[NH2+]CC2(c3ccccc3)CC2)c[nH+]1 ZINC000894164308 583322940 /nfs/dbraw/zinc/32/29/40/583322940.db2.gz CCTSXFMCKQXAMC-UHFFFAOYSA-N 2 2 227.311 2.231 20 0 BEADLP C[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)N(C)c1ccccc1 ZINC000894175053 583326714 /nfs/dbraw/zinc/32/67/14/583326714.db2.gz CKXUSPRBPXPGOC-LBPRGKRZSA-N 2 2 244.342 2.024 20 0 BEADLP C[C@@H](COc1cccc(F)c1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894198948 583336144 /nfs/dbraw/zinc/33/61/44/583336144.db2.gz HSPPPNPRKQKDRZ-JTQLQIEISA-N 2 2 249.289 2.106 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894204694 583340745 /nfs/dbraw/zinc/34/07/45/583340745.db2.gz SFZUHKXLJGNTNL-AWEZNQCLSA-N 2 2 227.311 2.495 20 0 BEADLP Cc1ccc(CC[NH2+]Cc2c[nH+]c[nH]2)c(C)c1 ZINC000894206191 583348579 /nfs/dbraw/zinc/34/85/79/583348579.db2.gz FWPDXMRCBJATOS-UHFFFAOYSA-N 2 2 229.327 2.359 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894341842 583428876 /nfs/dbraw/zinc/42/88/76/583428876.db2.gz FMYSCYCKGPAYLG-ZDUSSCGKSA-N 2 2 243.310 2.195 20 0 BEADLP Fc1ccc(CC[NH2+]Cc2c[nH+]c[nH]2)cc1F ZINC000894534088 583478831 /nfs/dbraw/zinc/47/88/31/583478831.db2.gz XTJGYNZYGBVDIB-UHFFFAOYSA-N 2 2 237.253 2.020 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+]CCC1(F)CCC1 ZINC000894782349 583521206 /nfs/dbraw/zinc/52/12/06/583521206.db2.gz XUJQFVRSICEELE-UHFFFAOYSA-N 2 2 237.322 2.344 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+]CCC(C)(F)F ZINC000894868557 583538837 /nfs/dbraw/zinc/53/88/37/583538837.db2.gz CFTJEYJJRFOOOH-UHFFFAOYSA-N 2 2 229.274 2.107 20 0 BEADLP Cc1nc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc[nH+]1 ZINC000857760916 588909940 /nfs/dbraw/zinc/90/99/40/588909940.db2.gz WYLMWZDSACQBJG-NWDGAFQWSA-N 2 2 246.358 2.070 20 0 BEADLP C[C@@]1(CC[NH2+]Cc2c[nH+]c[nH]2)CC1(Cl)Cl ZINC000894909792 583554748 /nfs/dbraw/zinc/55/47/48/583554748.db2.gz QRUYVZRPHLPLQV-SECBINFHSA-N 2 2 248.157 2.473 20 0 BEADLP C[NH+](C)Cc1ccc(NCc2c[nH]c[nH+]2)c(F)c1 ZINC000894994134 583564581 /nfs/dbraw/zinc/56/45/81/583564581.db2.gz YNCQOHIZVFFXBF-UHFFFAOYSA-N 2 2 248.305 2.223 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000895076530 583580821 /nfs/dbraw/zinc/58/08/21/583580821.db2.gz WQFFIMSLDGDBBN-TZMCWYRMSA-N 2 2 227.311 2.303 20 0 BEADLP C[C@@H](CC[NH2+]Cc1ccc2c(n1)CCC2)[NH+](C)C ZINC000895293116 583638903 /nfs/dbraw/zinc/63/89/03/583638903.db2.gz USYOAAAURCOPCX-LBPRGKRZSA-N 2 2 247.386 2.000 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2CSC2)c[nH+]1 ZINC000895422301 583673672 /nfs/dbraw/zinc/67/36/72/583673672.db2.gz YGVBMTMADGENNB-UHFFFAOYSA-N 2 2 236.384 2.275 20 0 BEADLP c1[nH]c(C[NH2+]CC2(CC3CC3)CC2)c[nH+]1 ZINC000895533155 583685576 /nfs/dbraw/zinc/68/55/76/583685576.db2.gz ZRRNRMFZMUDTCB-UHFFFAOYSA-N 2 2 205.305 2.080 20 0 BEADLP FC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895544349 583689522 /nfs/dbraw/zinc/68/95/22/583689522.db2.gz KNWBBFVTBPDAEC-LLVKDONJSA-N 2 2 237.322 2.011 20 0 BEADLP FC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895544349 583689524 /nfs/dbraw/zinc/68/95/24/583689524.db2.gz KNWBBFVTBPDAEC-LLVKDONJSA-N 2 2 237.322 2.011 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccco2)CC1 ZINC000895671014 583706522 /nfs/dbraw/zinc/70/65/22/583706522.db2.gz LVLZZMRGVILYLV-UHFFFAOYSA-N 2 2 234.343 2.340 20 0 BEADLP C[C@@H]1[C@H](Nc2cc[nH+]c3ccsc32)CC[N@@H+]1C ZINC000895738477 583718798 /nfs/dbraw/zinc/71/87/98/583718798.db2.gz WOZBNMYDNOAYEA-NXEZZACHSA-N 2 2 247.367 2.223 20 0 BEADLP C[C@@H]1[C@H](Nc2cc[nH+]c3ccsc32)CC[N@H+]1C ZINC000895738477 583718799 /nfs/dbraw/zinc/71/87/99/583718799.db2.gz WOZBNMYDNOAYEA-NXEZZACHSA-N 2 2 247.367 2.223 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000896554146 583811553 /nfs/dbraw/zinc/81/15/53/583811553.db2.gz HUFFABBIENMPJL-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000896554146 583811555 /nfs/dbraw/zinc/81/15/55/583811555.db2.gz HUFFABBIENMPJL-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000896555599 583811650 /nfs/dbraw/zinc/81/16/50/583811650.db2.gz PGJPIEQZJSNZCZ-QCEMKRCNSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000896555599 583811652 /nfs/dbraw/zinc/81/16/52/583811652.db2.gz PGJPIEQZJSNZCZ-QCEMKRCNSA-N 2 2 244.382 2.472 20 0 BEADLP Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)nc(C)[nH+]1 ZINC000897248801 583902288 /nfs/dbraw/zinc/90/22/88/583902288.db2.gz BVCGPYYVZULSSJ-UHFFFAOYSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1cc(NCC[N@H+]2CCC(C)(C)C2)nc(C)[nH+]1 ZINC000897248801 583902290 /nfs/dbraw/zinc/90/22/90/583902290.db2.gz BVCGPYYVZULSSJ-UHFFFAOYSA-N 2 2 248.374 2.237 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841028981 584026690 /nfs/dbraw/zinc/02/66/90/584026690.db2.gz KOTJGCQJKZAXGW-NSHDSACASA-N 2 2 241.766 2.342 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841029237 584027688 /nfs/dbraw/zinc/02/76/88/584027688.db2.gz MYLLQCQKQCNLOV-NSHDSACASA-N 2 2 241.766 2.342 20 0 BEADLP Cl/C=C/C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932029 584030117 /nfs/dbraw/zinc/03/01/17/584030117.db2.gz SXKNIFONDUNLMI-FWEMWIAWSA-N 2 2 225.723 2.273 20 0 BEADLP Cl/C=C/C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932029 584030121 /nfs/dbraw/zinc/03/01/21/584030121.db2.gz SXKNIFONDUNLMI-FWEMWIAWSA-N 2 2 225.723 2.273 20 0 BEADLP CC1(C)C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CCS1 ZINC000897794059 584048890 /nfs/dbraw/zinc/04/88/90/584048890.db2.gz RGDHFGBGNJBMKM-VIFPVBQESA-N 2 2 225.361 2.174 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C[N@@H+]1C1CC1 ZINC000897954352 584064478 /nfs/dbraw/zinc/06/44/78/584064478.db2.gz CSYGSFXDMQMJBA-FUQNVFFISA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C[N@H+]1C1CC1 ZINC000897954352 584064479 /nfs/dbraw/zinc/06/44/79/584064479.db2.gz CSYGSFXDMQMJBA-FUQNVFFISA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)C[N@@H+]1C1CC1 ZINC000897954351 584064516 /nfs/dbraw/zinc/06/45/16/584064516.db2.gz CSYGSFXDMQMJBA-CYHVGBIXSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)C[N@H+]1C1CC1 ZINC000897954351 584064517 /nfs/dbraw/zinc/06/45/17/584064517.db2.gz CSYGSFXDMQMJBA-CYHVGBIXSA-N 2 2 234.387 2.390 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CC1 ZINC000898032299 584077686 /nfs/dbraw/zinc/07/76/86/584077686.db2.gz ZHHYGRONBKGLIX-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CC1 ZINC000898032299 584077688 /nfs/dbraw/zinc/07/76/88/584077688.db2.gz ZHHYGRONBKGLIX-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034117 584078224 /nfs/dbraw/zinc/07/82/24/584078224.db2.gz IMBYVRMYFFEPPD-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034117 584078225 /nfs/dbraw/zinc/07/82/25/584078225.db2.gz IMBYVRMYFFEPPD-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@H]1CC1(F)F ZINC000898033815 584078264 /nfs/dbraw/zinc/07/82/64/584078264.db2.gz DAHIMERWAJJDSD-WDEREUQCSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@H]1CC1(F)F ZINC000898033815 584078265 /nfs/dbraw/zinc/07/82/65/584078265.db2.gz DAHIMERWAJJDSD-WDEREUQCSA-N 2 2 246.345 2.352 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000898315900 584111200 /nfs/dbraw/zinc/11/12/00/584111200.db2.gz BSBDLEFAMGIKTJ-AVGNSLFASA-N 2 2 212.381 2.208 20 0 BEADLP c1ccc2ncc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2c1 ZINC000841041608 584118258 /nfs/dbraw/zinc/11/82/58/584118258.db2.gz ARZRLRIPQUVXSY-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)s1 ZINC000873229683 584127421 /nfs/dbraw/zinc/12/74/21/584127421.db2.gz DTPXCCNYQBIOKR-STQMWFEESA-N 2 2 236.384 2.431 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858532060 588963151 /nfs/dbraw/zinc/96/31/51/588963151.db2.gz KKNAYNZMCLSOAT-XBFCOCLRSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858532060 588963152 /nfs/dbraw/zinc/96/31/52/588963152.db2.gz KKNAYNZMCLSOAT-XBFCOCLRSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1[nH]c(CNc2[nH+]ccn2CC(C)C)[nH+]c1C ZINC000902083376 584521425 /nfs/dbraw/zinc/52/14/25/584521425.db2.gz PMRMPLYDGMLKJO-UHFFFAOYSA-N 2 2 247.346 2.491 20 0 BEADLP Cc1[nH]c(CNc2[nH+]ccn2C2CC2)[nH+]c1C ZINC000902114917 584527433 /nfs/dbraw/zinc/52/74/33/584527433.db2.gz UJXYXSCCEBODRQ-UHFFFAOYSA-N 2 2 231.303 2.170 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(F)F ZINC000902401700 584587717 /nfs/dbraw/zinc/58/77/17/584587717.db2.gz BJRWNKHYIZYMCQ-RKDXNWHRSA-N 2 2 220.307 2.008 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1F ZINC000902415456 584589615 /nfs/dbraw/zinc/58/96/15/584589615.db2.gz OEIPNYXEXDSVAA-QMMMGPOBSA-N 2 2 226.270 2.107 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc2ccccc2n1 ZINC000902415794 584589669 /nfs/dbraw/zinc/58/96/69/584589669.db2.gz JROKIAQTINPDCW-LLVKDONJSA-N 2 2 241.338 2.377 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1Cl ZINC000902416616 584590406 /nfs/dbraw/zinc/59/04/06/584590406.db2.gz VDQIFSMOVMBCEE-VIFPVBQESA-N 2 2 224.735 2.482 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccncc1 ZINC000902446481 584594341 /nfs/dbraw/zinc/59/43/41/584594341.db2.gz TUMAQYZGBYTIAB-STQMWFEESA-N 2 2 233.359 2.120 20 0 BEADLP CCC[C@H]([NH2+]CC1([NH3+])CC1)c1ccccn1 ZINC000902414078 584599309 /nfs/dbraw/zinc/59/93/09/584599309.db2.gz RTPHOCQGOGFSDB-NSHDSACASA-N 2 2 219.332 2.004 20 0 BEADLP CCC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccn1 ZINC000902414077 584599798 /nfs/dbraw/zinc/59/97/98/584599798.db2.gz RTPHOCQGOGFSDB-LLVKDONJSA-N 2 2 219.332 2.004 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000902446583 584604094 /nfs/dbraw/zinc/60/40/94/584604094.db2.gz PJEPZLWNCMXVER-UONOGXRCSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902448039 584604937 /nfs/dbraw/zinc/60/49/37/584604937.db2.gz XDPOIXZQJAXBQQ-ONGXEEELSA-N 2 2 224.373 2.397 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448711 584605564 /nfs/dbraw/zinc/60/55/64/584605564.db2.gz HJAABBPLWSBQFN-AAEUAGOBSA-N 2 2 233.359 2.039 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000902448362 584605651 /nfs/dbraw/zinc/60/56/51/584605651.db2.gz ZTLIFUVFRXQYDV-UONOGXRCSA-N 2 2 248.345 2.401 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000902448360 584605812 /nfs/dbraw/zinc/60/58/12/584605812.db2.gz ZTLIFUVFRXQYDV-KBPBESRZSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471941 584617641 /nfs/dbraw/zinc/61/76/41/584617641.db2.gz USXWENJWLLLWCW-PIVDIINCSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902484277 584624778 /nfs/dbraw/zinc/62/47/78/584624778.db2.gz VDORXPBKEONWIO-TZMCWYRMSA-N 2 2 233.359 2.264 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000902718937 584657800 /nfs/dbraw/zinc/65/78/00/584657800.db2.gz JKFRKXIOPKTKES-ZOBORPQBSA-N 2 2 242.407 2.118 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC000902720363 584659556 /nfs/dbraw/zinc/65/95/56/584659556.db2.gz IMTFGBZRNVKGMU-BTTYYORXSA-N 2 2 233.359 2.442 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902723052 584660438 /nfs/dbraw/zinc/66/04/38/584660438.db2.gz KVQNDFVJBIUJHW-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902724166 584660853 /nfs/dbraw/zinc/66/08/53/584660853.db2.gz XRWGXDOQRSNBMV-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902761320 584666467 /nfs/dbraw/zinc/66/64/67/584666467.db2.gz NJDWOFWOBPNGBJ-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902761320 584666470 /nfs/dbraw/zinc/66/64/70/584666470.db2.gz NJDWOFWOBPNGBJ-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](F)C1 ZINC000902996748 584714445 /nfs/dbraw/zinc/71/44/45/584714445.db2.gz WJHFENPXAQAXNM-LBPRGKRZSA-N 2 2 225.311 2.016 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](F)C1 ZINC000902996748 584714446 /nfs/dbraw/zinc/71/44/46/584714446.db2.gz WJHFENPXAQAXNM-LBPRGKRZSA-N 2 2 225.311 2.016 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161690 584731432 /nfs/dbraw/zinc/73/14/32/584731432.db2.gz OAXJUAIFPVNMFH-OYNZBZHQSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161690 584731434 /nfs/dbraw/zinc/73/14/34/584731434.db2.gz OAXJUAIFPVNMFH-OYNZBZHQSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161691 584731537 /nfs/dbraw/zinc/73/15/37/584731537.db2.gz OAXJUAIFPVNMFH-RUAUBTSSSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161691 584731538 /nfs/dbraw/zinc/73/15/38/584731538.db2.gz OAXJUAIFPVNMFH-RUAUBTSSSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162406 584731574 /nfs/dbraw/zinc/73/15/74/584731574.db2.gz FCRHZSOZNKWRDX-ZOBORPQBSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162406 584731575 /nfs/dbraw/zinc/73/15/75/584731575.db2.gz FCRHZSOZNKWRDX-ZOBORPQBSA-N 2 2 222.376 2.106 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000903198701 584734723 /nfs/dbraw/zinc/73/47/23/584734723.db2.gz PCSFMJFIUJBJOL-LSDHHAIUSA-N 2 2 245.370 2.426 20 0 BEADLP CC[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CC1 ZINC000903202223 584735390 /nfs/dbraw/zinc/73/53/90/584735390.db2.gz ZWRPTBXERQVXJV-CQSZACIVSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903200701 584735472 /nfs/dbraw/zinc/73/54/72/584735472.db2.gz BNVHRYKXDPVRRE-BXUZGUMPSA-N 2 2 233.359 2.426 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300656 584743904 /nfs/dbraw/zinc/74/39/04/584743904.db2.gz KJVRYZRVLSWXMP-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300656 584743905 /nfs/dbraw/zinc/74/39/05/584743905.db2.gz KJVRYZRVLSWXMP-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC000903303051 584745307 /nfs/dbraw/zinc/74/53/07/584745307.db2.gz JIIOXGIMGXEBDY-WKPIXPDZSA-N 2 2 248.345 2.495 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC000903303051 584745309 /nfs/dbraw/zinc/74/53/09/584745309.db2.gz JIIOXGIMGXEBDY-WKPIXPDZSA-N 2 2 248.345 2.495 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903344006 584752643 /nfs/dbraw/zinc/75/26/43/584752643.db2.gz MFBMLRXJQMIZGJ-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903344006 584752644 /nfs/dbraw/zinc/75/26/44/584752644.db2.gz MFBMLRXJQMIZGJ-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903343289 584752822 /nfs/dbraw/zinc/75/28/22/584752822.db2.gz FPWNHDGWZSHARZ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903343289 584752823 /nfs/dbraw/zinc/75/28/23/584752823.db2.gz FPWNHDGWZSHARZ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382704 584757237 /nfs/dbraw/zinc/75/72/37/584757237.db2.gz HDGGIDTYYJPRMG-TZMCWYRMSA-N 2 2 235.375 2.463 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903425186 584760831 /nfs/dbraw/zinc/76/08/31/584760831.db2.gz WBIMSDMPFKAOOD-CYBMUJFWSA-N 2 2 229.327 2.091 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903425186 584760832 /nfs/dbraw/zinc/76/08/32/584760832.db2.gz WBIMSDMPFKAOOD-CYBMUJFWSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429810 584761686 /nfs/dbraw/zinc/76/16/86/584761686.db2.gz WUPZUQWKJHNSQZ-BYCMXARLSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429810 584761687 /nfs/dbraw/zinc/76/16/87/584761687.db2.gz WUPZUQWKJHNSQZ-BYCMXARLSA-N 2 2 245.370 2.072 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903424674 584764256 /nfs/dbraw/zinc/76/42/56/584764256.db2.gz BAEPSKAQSHBNDQ-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903424674 584764258 /nfs/dbraw/zinc/76/42/58/584764258.db2.gz BAEPSKAQSHBNDQ-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP Cc1ccccc1C1([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000903460641 584766720 /nfs/dbraw/zinc/76/67/20/584766720.db2.gz GLJXVHYGBNIXAA-CYBMUJFWSA-N 2 2 230.355 2.326 20 0 BEADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464119 584767517 /nfs/dbraw/zinc/76/75/17/584767517.db2.gz AMXGQZVFGWLXQE-YNEHKIRRSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464119 584767519 /nfs/dbraw/zinc/76/75/19/584767519.db2.gz AMXGQZVFGWLXQE-YNEHKIRRSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477076 584777288 /nfs/dbraw/zinc/77/72/88/584777288.db2.gz SSNPHEAWEONABD-GWCFXTLKSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477076 584777289 /nfs/dbraw/zinc/77/72/89/584777289.db2.gz SSNPHEAWEONABD-GWCFXTLKSA-N 2 2 229.327 2.089 20 0 BEADLP CC[N@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CC[NH2+]C1 ZINC000903481411 584778173 /nfs/dbraw/zinc/77/81/73/584778173.db2.gz BDGQUQYHIXVQMP-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP CC[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CC[NH2+]C1 ZINC000903481411 584778174 /nfs/dbraw/zinc/77/81/74/584778174.db2.gz BDGQUQYHIXVQMP-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)n1 ZINC000903484487 584779276 /nfs/dbraw/zinc/77/92/76/584779276.db2.gz SGIQKHGEXOIUSV-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP Nc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903483480 584779298 /nfs/dbraw/zinc/77/92/98/584779298.db2.gz HSZBPOHWGMSKFS-AWEZNQCLSA-N 2 2 245.370 2.033 20 0 BEADLP CC1(C)C[N@@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@H]1[NH3+] ZINC000903556322 584782726 /nfs/dbraw/zinc/78/27/26/584782726.db2.gz UVGKJTFHXOFRAF-KGLIPLIRSA-N 2 2 248.345 2.482 20 0 BEADLP CC1(C)C[N@H+]([C@@H]2CCc3ccc(F)cc32)C[C@@H]1[NH3+] ZINC000903556322 584782727 /nfs/dbraw/zinc/78/27/27/584782727.db2.gz UVGKJTFHXOFRAF-KGLIPLIRSA-N 2 2 248.345 2.482 20 0 BEADLP C[NH2+]CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)C ZINC000903574998 584783981 /nfs/dbraw/zinc/78/39/81/584783981.db2.gz BNMJNEVAHQSWDG-ZSBIGDGJSA-N 2 2 246.345 2.208 20 0 BEADLP C[NH2+]CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)C ZINC000903574998 584783982 /nfs/dbraw/zinc/78/39/82/584783982.db2.gz BNMJNEVAHQSWDG-ZSBIGDGJSA-N 2 2 246.345 2.208 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1CF ZINC000903717244 584792333 /nfs/dbraw/zinc/79/23/33/584792333.db2.gz LDAIUPYDSNZBQT-CYBMUJFWSA-N 2 2 222.307 2.079 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1CF ZINC000903717244 584792334 /nfs/dbraw/zinc/79/23/34/584792334.db2.gz LDAIUPYDSNZBQT-CYBMUJFWSA-N 2 2 222.307 2.079 20 0 BEADLP FCc1ccccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000903740946 584796244 /nfs/dbraw/zinc/79/62/44/584796244.db2.gz MOZBUMGJLFZDEV-HNNXBMFYSA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000903740946 584796245 /nfs/dbraw/zinc/79/62/45/584796245.db2.gz MOZBUMGJLFZDEV-HNNXBMFYSA-N 2 2 248.345 2.482 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1CF ZINC000903779429 584799657 /nfs/dbraw/zinc/79/96/57/584799657.db2.gz ZANQSZMABKBADS-ZWNOBZJWSA-N 2 2 222.307 2.078 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccccc1CF ZINC000903779429 584799658 /nfs/dbraw/zinc/79/96/58/584799658.db2.gz ZANQSZMABKBADS-ZWNOBZJWSA-N 2 2 222.307 2.078 20 0 BEADLP CCCCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796272 584800850 /nfs/dbraw/zinc/80/08/50/584800850.db2.gz UPTXMKXNRYVKNR-CHWSQXEVSA-N 2 2 210.365 2.380 20 0 BEADLP CCCCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796272 584800851 /nfs/dbraw/zinc/80/08/51/584800851.db2.gz UPTXMKXNRYVKNR-CHWSQXEVSA-N 2 2 210.365 2.380 20 0 BEADLP COCCCCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799049 584801446 /nfs/dbraw/zinc/80/14/46/584801446.db2.gz PSTILQGUGBYJCU-KBPBESRZSA-N 2 2 240.391 2.006 20 0 BEADLP COCCCCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799049 584801447 /nfs/dbraw/zinc/80/14/47/584801447.db2.gz PSTILQGUGBYJCU-KBPBESRZSA-N 2 2 240.391 2.006 20 0 BEADLP CC(C)OCCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903798277 584801716 /nfs/dbraw/zinc/80/17/16/584801716.db2.gz MYRUZCAIIJXGEO-ZIAGYGMSSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)OCCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903798277 584801717 /nfs/dbraw/zinc/80/17/17/584801717.db2.gz MYRUZCAIIJXGEO-ZIAGYGMSSA-N 2 2 240.391 2.005 20 0 BEADLP C=C/C=C/CC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799122 584801783 /nfs/dbraw/zinc/80/17/83/584801783.db2.gz BLAQVOYMOMQUHF-JKWAOEONSA-N 2 2 220.360 2.322 20 0 BEADLP C=C/C=C/CC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799122 584801784 /nfs/dbraw/zinc/80/17/84/584801784.db2.gz BLAQVOYMOMQUHF-JKWAOEONSA-N 2 2 220.360 2.322 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])nc1 ZINC000903801287 584802095 /nfs/dbraw/zinc/80/20/95/584802095.db2.gz MBLJUAPLXKLYHI-ZFWWWQNUSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])nc1 ZINC000903801287 584802096 /nfs/dbraw/zinc/80/20/96/584802096.db2.gz MBLJUAPLXKLYHI-ZFWWWQNUSA-N 2 2 245.370 2.093 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805155 584802889 /nfs/dbraw/zinc/80/28/89/584802889.db2.gz MHWKFVDSEYMUMM-XJFOESAGSA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805155 584802891 /nfs/dbraw/zinc/80/28/91/584802891.db2.gz MHWKFVDSEYMUMM-XJFOESAGSA-N 2 2 222.376 2.236 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc1F ZINC000903821288 584804152 /nfs/dbraw/zinc/80/41/52/584804152.db2.gz JLFAQCBWDRGWDY-ZDUSSCGKSA-N 2 2 236.334 2.222 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871006 584815077 /nfs/dbraw/zinc/81/50/77/584815077.db2.gz RGZSBQYXANMEPC-GFCCVEGCSA-N 2 2 232.318 2.250 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871006 584815079 /nfs/dbraw/zinc/81/50/79/584815079.db2.gz RGZSBQYXANMEPC-GFCCVEGCSA-N 2 2 232.318 2.250 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903902972 584821004 /nfs/dbraw/zinc/82/10/04/584821004.db2.gz QDCBBXHYIOTOCO-UWVGGRQHSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903902972 584821005 /nfs/dbraw/zinc/82/10/05/584821005.db2.gz QDCBBXHYIOTOCO-UWVGGRQHSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903905996 584821269 /nfs/dbraw/zinc/82/12/69/584821269.db2.gz QWBUVQJXNKNGJM-GXSJLCMTSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903905996 584821270 /nfs/dbraw/zinc/82/12/70/584821270.db2.gz QWBUVQJXNKNGJM-GXSJLCMTSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)c1cccc(O)c1 ZINC000903928483 584824630 /nfs/dbraw/zinc/82/46/30/584824630.db2.gz ZGOSLDZRFPJSSH-SCZZXKLOSA-N 2 2 244.285 2.025 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000903960437 584828066 /nfs/dbraw/zinc/82/80/66/584828066.db2.gz KGOCWMPFJDSZRL-VXNVDRBHSA-N 2 2 230.764 2.099 20 0 BEADLP Cc1cc(N[C@@H]2C[NH2+]C[C@H](C)C2)c[nH+]c1C ZINC000903947587 584829384 /nfs/dbraw/zinc/82/93/84/584829384.db2.gz BMUPZFMJMCSUFD-SKDRFNHKSA-N 2 2 219.332 2.108 20 0 BEADLP Nc1cc[nH+]c(C[NH2+]C2CCCCCC2)c1 ZINC000903950615 584830654 /nfs/dbraw/zinc/83/06/54/584830654.db2.gz OQEBKWSOLXVESD-UHFFFAOYSA-N 2 2 219.332 2.476 20 0 BEADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(C2CC2)no1 ZINC000903954064 584831704 /nfs/dbraw/zinc/83/17/04/584831704.db2.gz PGMLZBJDPKVHSB-JQWIXIFHSA-N 2 2 249.358 2.172 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)ccc1Cl ZINC000903964831 584834454 /nfs/dbraw/zinc/83/44/54/584834454.db2.gz WUYYIDBFKLTBCY-ZWNOBZJWSA-N 2 2 238.762 2.346 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964878 584834480 /nfs/dbraw/zinc/83/44/80/584834480.db2.gz XKKSBYVSHFFSRL-IUODEOHRSA-N 2 2 232.371 2.337 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCSCC1 ZINC000904307621 584862620 /nfs/dbraw/zinc/86/26/20/584862620.db2.gz SQQURTHKGQVQGX-LLVKDONJSA-N 2 2 230.421 2.189 20 0 BEADLP C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCCO1 ZINC000904307262 584862760 /nfs/dbraw/zinc/86/27/60/584862760.db2.gz NILXABRAMIUQLO-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCCO1 ZINC000904307262 584862762 /nfs/dbraw/zinc/86/27/62/584862762.db2.gz NILXABRAMIUQLO-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP Cc1ccc2c(c1)[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000904329996 584865861 /nfs/dbraw/zinc/86/58/61/584865861.db2.gz WPEXGAQVOAXSMB-XBXGTLAGSA-N 2 2 230.355 2.485 20 0 BEADLP Cc1ccc2c(c1)[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CCC2 ZINC000904329996 584865862 /nfs/dbraw/zinc/86/58/62/584865862.db2.gz WPEXGAQVOAXSMB-XBXGTLAGSA-N 2 2 230.355 2.485 20 0 BEADLP C[C@H]1COCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340130 584866353 /nfs/dbraw/zinc/86/63/53/584866353.db2.gz DLXRAWBSOIZFEV-CHWSQXEVSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@H]1COCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340130 584866354 /nfs/dbraw/zinc/86/63/54/584866354.db2.gz DLXRAWBSOIZFEV-CHWSQXEVSA-N 2 2 242.407 2.108 20 0 BEADLP Cc1ccc(NC[C@@]2(C)CCC[NH2+]C2)c[nH+]1 ZINC000904365893 584875070 /nfs/dbraw/zinc/87/50/70/584875070.db2.gz BCRTVIBQSQELLY-ZDUSSCGKSA-N 2 2 219.332 2.192 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]CC1([NH3+])CCCC1 ZINC000904377242 584876268 /nfs/dbraw/zinc/87/62/68/584876268.db2.gz LMVCAOYDDNPKRP-GFCCVEGCSA-N 3 2 241.423 2.001 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000753734093 584905660 /nfs/dbraw/zinc/90/56/60/584905660.db2.gz RRPMVCQDCPIZCY-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000753734093 584905661 /nfs/dbraw/zinc/90/56/61/584905661.db2.gz RRPMVCQDCPIZCY-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000753734093 584905662 /nfs/dbraw/zinc/90/56/62/584905662.db2.gz RRPMVCQDCPIZCY-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000753734093 584905663 /nfs/dbraw/zinc/90/56/63/584905663.db2.gz RRPMVCQDCPIZCY-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817980208 584994510 /nfs/dbraw/zinc/99/45/10/584994510.db2.gz SHXDYGPRUDZLPT-WPRPVWTQSA-N 2 2 227.739 2.123 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000747916475 585185732 /nfs/dbraw/zinc/18/57/32/585185732.db2.gz RNCOFOJMECDEAK-HSWBROFVSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000747916475 585185733 /nfs/dbraw/zinc/18/57/33/585185733.db2.gz RNCOFOJMECDEAK-HSWBROFVSA-N 2 2 234.318 2.133 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000754130845 585279091 /nfs/dbraw/zinc/27/90/91/585279091.db2.gz SADXIEUJBBNYHZ-AAEUAGOBSA-N 2 2 242.326 2.013 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000756098360 585314346 /nfs/dbraw/zinc/31/43/46/585314346.db2.gz CRCNCBNUIICLAN-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000756098360 585314347 /nfs/dbraw/zinc/31/43/47/585314347.db2.gz CRCNCBNUIICLAN-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000756123573 585315076 /nfs/dbraw/zinc/31/50/76/585315076.db2.gz YMTGWUUUCIQUBV-KBPBESRZSA-N 2 2 230.355 2.010 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)C1 ZINC000756123573 585315077 /nfs/dbraw/zinc/31/50/77/585315077.db2.gz YMTGWUUUCIQUBV-KBPBESRZSA-N 2 2 230.355 2.010 20 0 BEADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4C[C@@H]43)cc2)c[nH+]1 ZINC000761088504 585407750 /nfs/dbraw/zinc/40/77/50/585407750.db2.gz GOPXYRWQQQNSNA-HIFRSBDPSA-N 2 2 239.322 2.467 20 0 BEADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4C[C@@H]43)cc2)c[nH+]1 ZINC000761088504 585407751 /nfs/dbraw/zinc/40/77/51/585407751.db2.gz GOPXYRWQQQNSNA-HIFRSBDPSA-N 2 2 239.322 2.467 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766271340 585500253 /nfs/dbraw/zinc/50/02/53/585500253.db2.gz UEHSITNMLCLHAD-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766271340 585500254 /nfs/dbraw/zinc/50/02/54/585500254.db2.gz UEHSITNMLCLHAD-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704653 585542200 /nfs/dbraw/zinc/54/22/00/585542200.db2.gz BSMRJUYJHVLQGB-FJUHHBQUSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704653 585542201 /nfs/dbraw/zinc/54/22/01/585542201.db2.gz BSMRJUYJHVLQGB-FJUHHBQUSA-N 2 2 244.329 2.102 20 0 BEADLP c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)co1 ZINC000769427696 585556213 /nfs/dbraw/zinc/55/62/13/585556213.db2.gz OLXMWVRXFDHKIZ-UHFFFAOYSA-N 2 2 231.299 2.382 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000770025083 585569879 /nfs/dbraw/zinc/56/98/79/585569879.db2.gz FGBUONIYSRQSAQ-MZBZXASESA-N 2 2 239.750 2.352 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000770025083 585569880 /nfs/dbraw/zinc/56/98/80/585569880.db2.gz FGBUONIYSRQSAQ-MZBZXASESA-N 2 2 239.750 2.352 20 0 BEADLP c1ccc(C2([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC000775332055 585676009 /nfs/dbraw/zinc/67/60/09/585676009.db2.gz BCBUAXUAFNJBBT-UHFFFAOYSA-N 2 2 230.355 2.361 20 0 BEADLP C[C@@H](C1CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777842898 585721308 /nfs/dbraw/zinc/72/13/08/585721308.db2.gz NBRDFQXAZPTBJX-JQWIXIFHSA-N 2 2 219.332 2.388 20 0 BEADLP C[C@@H](C1CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777842898 585721309 /nfs/dbraw/zinc/72/13/09/585721309.db2.gz NBRDFQXAZPTBJX-JQWIXIFHSA-N 2 2 219.332 2.388 20 0 BEADLP C[C@@H](CCCCO)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000779019784 585744112 /nfs/dbraw/zinc/74/41/12/585744112.db2.gz NSUQUZDMKKHLRX-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)OC1CC([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000779166508 585746659 /nfs/dbraw/zinc/74/66/59/585746659.db2.gz QUOMSMFMTDWYGC-IYXRBSQSSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC1CC([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000779166508 585746660 /nfs/dbraw/zinc/74/66/60/585746660.db2.gz QUOMSMFMTDWYGC-IYXRBSQSSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000783211553 585830937 /nfs/dbraw/zinc/83/09/37/585830937.db2.gz MKXCHWQIRSUJHZ-YPMHNXCESA-N 2 2 242.326 2.155 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000783220230 585831098 /nfs/dbraw/zinc/83/10/98/585831098.db2.gz BEGZVHMJIXFMSK-YPMHNXCESA-N 2 2 233.359 2.150 20 0 BEADLP CC1(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)CC1 ZINC000785420370 585873279 /nfs/dbraw/zinc/87/32/79/585873279.db2.gz DZGGWQKSCAOVAB-UHFFFAOYSA-N 2 2 242.326 2.157 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000793047439 586009086 /nfs/dbraw/zinc/00/90/86/586009086.db2.gz LUFSJIACHAVZSH-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000793047439 586009087 /nfs/dbraw/zinc/00/90/87/586009087.db2.gz LUFSJIACHAVZSH-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@]12CC[N@H+](CC[NH+]3CCCC3)C[C@@H]1C2(F)F ZINC000794624446 586046192 /nfs/dbraw/zinc/04/61/92/586046192.db2.gz QFRZJPCSUWQCIC-NWDGAFQWSA-N 2 2 244.329 2.059 20 0 BEADLP C[C@@]12CC[N@@H+](CC[NH+]3CCCC3)C[C@@H]1C2(F)F ZINC000794624446 586046193 /nfs/dbraw/zinc/04/61/93/586046193.db2.gz QFRZJPCSUWQCIC-NWDGAFQWSA-N 2 2 244.329 2.059 20 0 BEADLP Clc1ncccc1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859305160 589029197 /nfs/dbraw/zinc/02/91/97/589029197.db2.gz BRPGIWZTHGPRCH-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP Clc1ncccc1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859305160 589029198 /nfs/dbraw/zinc/02/91/98/589029198.db2.gz BRPGIWZTHGPRCH-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP CCC1(CC)[C@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@H]1OC ZINC000796456259 586104142 /nfs/dbraw/zinc/10/41/42/586104142.db2.gz LRUXYOQEYONCQH-VXGBXAGGSA-N 2 2 237.347 2.093 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000796766054 586111762 /nfs/dbraw/zinc/11/17/62/586111762.db2.gz XXGPRWYOACXNDJ-KKUMJFAQSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000796766054 586111763 /nfs/dbraw/zinc/11/17/63/586111763.db2.gz XXGPRWYOACXNDJ-KKUMJFAQSA-N 2 2 236.403 2.495 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000806140570 586405212 /nfs/dbraw/zinc/40/52/12/586405212.db2.gz YUYRRIHHVHDXRD-SOUVJXGZSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000806140570 586405215 /nfs/dbraw/zinc/40/52/15/586405215.db2.gz YUYRRIHHVHDXRD-SOUVJXGZSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000806140568 586405639 /nfs/dbraw/zinc/40/56/39/586405639.db2.gz YUYRRIHHVHDXRD-KKUMJFAQSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000806140568 586405641 /nfs/dbraw/zinc/40/56/41/586405641.db2.gz YUYRRIHHVHDXRD-KKUMJFAQSA-N 2 2 234.387 2.249 20 0 BEADLP CC(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000808733299 586485526 /nfs/dbraw/zinc/48/55/26/586485526.db2.gz PFZVRHKXVMBRGU-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000808733299 586485527 /nfs/dbraw/zinc/48/55/27/586485527.db2.gz PFZVRHKXVMBRGU-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000808733299 586485528 /nfs/dbraw/zinc/48/55/28/586485528.db2.gz PFZVRHKXVMBRGU-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000808733299 586485529 /nfs/dbraw/zinc/48/55/29/586485529.db2.gz PFZVRHKXVMBRGU-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000808733301 586485535 /nfs/dbraw/zinc/48/55/35/586485535.db2.gz PFZVRHKXVMBRGU-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000808733301 586485536 /nfs/dbraw/zinc/48/55/36/586485536.db2.gz PFZVRHKXVMBRGU-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000808733301 586485537 /nfs/dbraw/zinc/48/55/37/586485537.db2.gz PFZVRHKXVMBRGU-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000808733301 586485538 /nfs/dbraw/zinc/48/55/38/586485538.db2.gz PFZVRHKXVMBRGU-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCOC1CCC1 ZINC000809624019 586510126 /nfs/dbraw/zinc/51/01/26/586510126.db2.gz GKBVRTHHVPNJRM-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000809752220 586517930 /nfs/dbraw/zinc/51/79/30/586517930.db2.gz POLWQEXXPMOGFH-HNNXBMFYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H](O)C1CC1 ZINC000809752220 586517931 /nfs/dbraw/zinc/51/79/31/586517931.db2.gz POLWQEXXPMOGFH-HNNXBMFYSA-N 2 2 248.370 2.025 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@H](C)CO ZINC000814170033 586615606 /nfs/dbraw/zinc/61/56/06/586615606.db2.gz QPAPIJAGOBSJKR-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@H](C)CO ZINC000814170033 586615607 /nfs/dbraw/zinc/61/56/07/586615607.db2.gz QPAPIJAGOBSJKR-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC000815144068 586669474 /nfs/dbraw/zinc/66/94/74/586669474.db2.gz SVNQLGNPEGHSAL-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC000815144068 586669475 /nfs/dbraw/zinc/66/94/75/586669475.db2.gz SVNQLGNPEGHSAL-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC000815144068 586669478 /nfs/dbraw/zinc/66/94/78/586669478.db2.gz SVNQLGNPEGHSAL-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\Cl)C2)C1 ZINC000815144068 586669480 /nfs/dbraw/zinc/66/94/80/586669480.db2.gz SVNQLGNPEGHSAL-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC000815144067 586669982 /nfs/dbraw/zinc/66/99/82/586669982.db2.gz SVNQLGNPEGHSAL-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC000815144067 586669984 /nfs/dbraw/zinc/66/99/84/586669984.db2.gz SVNQLGNPEGHSAL-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC000815144067 586669985 /nfs/dbraw/zinc/66/99/85/586669985.db2.gz SVNQLGNPEGHSAL-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/Cl)C2)C1 ZINC000815144067 586669987 /nfs/dbraw/zinc/66/99/87/586669987.db2.gz SVNQLGNPEGHSAL-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+](C)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000817409899 586801169 /nfs/dbraw/zinc/80/11/69/586801169.db2.gz IBYLEMFEFOHXTF-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000817929046 586842608 /nfs/dbraw/zinc/84/26/08/586842608.db2.gz CUKWRQUOYNKPKU-QWRGUYRKSA-N 2 2 239.750 2.013 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000817940495 586844916 /nfs/dbraw/zinc/84/49/16/586844916.db2.gz IGHYNLVHRVLZQS-QWRGUYRKSA-N 2 2 230.421 2.248 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817940493 586845283 /nfs/dbraw/zinc/84/52/83/586845283.db2.gz IGHYNLVHRVLZQS-GHMZBOCLSA-N 2 2 230.421 2.248 20 0 BEADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000817944613 586846439 /nfs/dbraw/zinc/84/64/39/586846439.db2.gz IBRCYZCCRLRMQJ-JQWIXIFHSA-N 2 2 222.307 2.147 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817951642 586847550 /nfs/dbraw/zinc/84/75/50/586847550.db2.gz ILPSSMKDQPTVML-CQSZACIVSA-N 2 2 218.344 2.181 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817952099 586847888 /nfs/dbraw/zinc/84/78/88/586847888.db2.gz NHJOSBKZWHOFNI-GXSJLCMTSA-N 2 2 239.750 2.138 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000817951635 586848054 /nfs/dbraw/zinc/84/80/54/586848054.db2.gz IHNCJGNXVCMEOH-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817952101 586848124 /nfs/dbraw/zinc/84/81/24/586848124.db2.gz NHJOSBKZWHOFNI-MWLCHTKSSA-N 2 2 239.750 2.138 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817953183 586848750 /nfs/dbraw/zinc/84/87/50/586848750.db2.gz WPDHDUBQWOIFNR-HIFRSBDPSA-N 2 2 230.355 2.324 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccnc1Cl ZINC000817957761 586850533 /nfs/dbraw/zinc/85/05/33/586850533.db2.gz DQXLDDGUWUOVDC-MWLCHTKSSA-N 2 2 241.766 2.369 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817958204 586850549 /nfs/dbraw/zinc/85/05/49/586850549.db2.gz IPDXIKAVMVUCDZ-MWLCHTKSSA-N 2 2 241.766 2.369 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1Cl ZINC000817959312 586852070 /nfs/dbraw/zinc/85/20/70/586852070.db2.gz AGNPTXURTCKTNZ-QMMMGPOBSA-N 2 2 227.739 2.123 20 0 BEADLP CCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000819060803 586928371 /nfs/dbraw/zinc/92/83/71/586928371.db2.gz QCEQPRTUYYZVAK-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000819060803 586928372 /nfs/dbraw/zinc/92/83/72/586928372.db2.gz QCEQPRTUYYZVAK-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)c1nc(N2CC[C@@H]([NH+](C)C)[C@H]2C)cc[nH+]1 ZINC000820596305 587057880 /nfs/dbraw/zinc/05/78/80/587057880.db2.gz SVSQTYFRGXUCIO-VXGBXAGGSA-N 2 2 248.374 2.129 20 0 BEADLP CO[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000821387905 587115416 /nfs/dbraw/zinc/11/54/16/587115416.db2.gz YMSNWDPXSBUSHK-ZIAGYGMSSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812791 587240873 /nfs/dbraw/zinc/24/08/73/587240873.db2.gz PSZOIUWNDVRJRT-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812791 587240875 /nfs/dbraw/zinc/24/08/75/587240875.db2.gz PSZOIUWNDVRJRT-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824764788 587286355 /nfs/dbraw/zinc/28/63/55/587286355.db2.gz DMNFFVRGRXGQEX-SECBINFHSA-N 2 2 248.157 2.094 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC3(CCCC3)C2)n1C ZINC000824783047 587287434 /nfs/dbraw/zinc/28/74/34/587287434.db2.gz PZTYXXJPJSQBSO-UHFFFAOYSA-N 2 2 233.359 2.495 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429883 587319576 /nfs/dbraw/zinc/31/95/76/587319576.db2.gz QBZCIFLQTZUNFT-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429883 587319578 /nfs/dbraw/zinc/31/95/78/587319578.db2.gz QBZCIFLQTZUNFT-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000826790323 587362606 /nfs/dbraw/zinc/36/26/06/587362606.db2.gz COTQGIFCDUMVRP-ILDUYXDCSA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000826790323 587362607 /nfs/dbraw/zinc/36/26/07/587362607.db2.gz COTQGIFCDUMVRP-ILDUYXDCSA-N 2 2 246.345 2.493 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C1(CO)CC1 ZINC000826991228 587367281 /nfs/dbraw/zinc/36/72/81/587367281.db2.gz WXXQJPDQDSUTLI-CYBMUJFWSA-N 2 2 248.370 2.073 20 0 BEADLP COc1ccc([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)cc1N ZINC000841041224 587938648 /nfs/dbraw/zinc/93/86/48/587938648.db2.gz YIXXOOUUYHXQCA-GHMZBOCLSA-N 2 2 249.358 2.077 20 0 BEADLP COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000841078064 587944556 /nfs/dbraw/zinc/94/45/56/587944556.db2.gz FGQLVFGNMJMATN-DTWKUNHWSA-N 2 2 242.750 2.174 20 0 BEADLP CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841079657 587944684 /nfs/dbraw/zinc/94/46/84/587944684.db2.gz OEJUYOQRVVNGAD-SRVKXCTJSA-N 2 2 216.344 2.245 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cnc(Cl)s1 ZINC000842474956 588028977 /nfs/dbraw/zinc/02/89/77/588028977.db2.gz FUVUENPACBNSHG-QMMMGPOBSA-N 2 2 247.795 2.260 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)no1 ZINC000843060098 588077895 /nfs/dbraw/zinc/07/78/95/588077895.db2.gz CMBHLDWVBROCCU-KGLIPLIRSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)no1 ZINC000843060098 588077896 /nfs/dbraw/zinc/07/78/96/588077896.db2.gz CMBHLDWVBROCCU-KGLIPLIRSA-N 2 2 249.358 2.120 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000843355520 588102880 /nfs/dbraw/zinc/10/28/80/588102880.db2.gz FTCFADXAXVVSJI-LBPRGKRZSA-N 2 2 241.766 2.198 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccno1 ZINC000843403366 588106552 /nfs/dbraw/zinc/10/65/52/588106552.db2.gz ZRFYENKZYYGCDU-UHFFFAOYSA-N 2 2 231.299 2.100 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848568642 588397970 /nfs/dbraw/zinc/39/79/70/588397970.db2.gz NHSDBWACODZFDF-ZOBORPQBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848568642 588397972 /nfs/dbraw/zinc/39/79/72/588397972.db2.gz NHSDBWACODZFDF-ZOBORPQBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848568640 588398265 /nfs/dbraw/zinc/39/82/65/588398265.db2.gz NHSDBWACODZFDF-RQJABVFESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848568640 588398266 /nfs/dbraw/zinc/39/82/66/588398266.db2.gz NHSDBWACODZFDF-RQJABVFESA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C[C@H](C)O)C1CC1 ZINC000848928726 588422111 /nfs/dbraw/zinc/42/21/11/588422111.db2.gz LUTNLHPYRLFYBA-ZDUSSCGKSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C[C@H](C)O)C1CC1 ZINC000848928726 588422115 /nfs/dbraw/zinc/42/21/15/588422115.db2.gz LUTNLHPYRLFYBA-ZDUSSCGKSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cnc1Cl ZINC000849350749 588474260 /nfs/dbraw/zinc/47/42/60/588474260.db2.gz UZBUHYKTBSMXLH-UHFFFAOYSA-N 2 2 241.766 2.213 20 0 BEADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])cnc1Cl ZINC000849350749 588474261 /nfs/dbraw/zinc/47/42/61/588474261.db2.gz UZBUHYKTBSMXLH-UHFFFAOYSA-N 2 2 241.766 2.213 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000850438327 588546453 /nfs/dbraw/zinc/54/64/53/588546453.db2.gz DZLNSCDAJKFGSY-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000850438327 588546454 /nfs/dbraw/zinc/54/64/54/588546454.db2.gz DZLNSCDAJKFGSY-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC(CF)(CF)C1 ZINC000850440240 588546461 /nfs/dbraw/zinc/54/64/61/588546461.db2.gz YWEUKUULTBLZTD-NSHDSACASA-N 2 2 246.345 2.148 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC(CF)(CF)C1 ZINC000850440240 588546462 /nfs/dbraw/zinc/54/64/62/588546462.db2.gz YWEUKUULTBLZTD-NSHDSACASA-N 2 2 246.345 2.148 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@H]1C ZINC000850544236 588559411 /nfs/dbraw/zinc/55/94/11/588559411.db2.gz UVGKAWASYYKWJB-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000851771365 588625618 /nfs/dbraw/zinc/62/56/18/588625618.db2.gz CHFUEWSEFKQKMQ-VIFPVBQESA-N 2 2 237.174 2.189 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000851771365 588625619 /nfs/dbraw/zinc/62/56/19/588625619.db2.gz CHFUEWSEFKQKMQ-VIFPVBQESA-N 2 2 237.174 2.189 20 0 BEADLP [NH3+]CCOc1ccc([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000852746842 588698746 /nfs/dbraw/zinc/69/87/46/588698746.db2.gz RJJOZZXBMWMVPM-CLLJXQQHSA-N 2 2 246.354 2.482 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569097 589296096 /nfs/dbraw/zinc/29/60/96/589296096.db2.gz RRXUMGFRILELJW-LLVKDONJSA-N 2 2 235.375 2.292 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569097 589296097 /nfs/dbraw/zinc/29/60/97/589296097.db2.gz RRXUMGFRILELJW-LLVKDONJSA-N 2 2 235.375 2.292 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccnc(Cl)c1 ZINC000863546472 589298159 /nfs/dbraw/zinc/29/81/59/589298159.db2.gz JKUVUYXJBIUPSI-WCABBAIRSA-N 2 2 239.750 2.136 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863546883 589298469 /nfs/dbraw/zinc/29/84/69/589298469.db2.gz OQAJTFQBUZBMIO-GLQYFDAESA-N 2 2 230.355 2.322 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCc1c(F)cccc1Cl ZINC000863567064 589299512 /nfs/dbraw/zinc/29/95/12/589299512.db2.gz BBDFQTRUVREENQ-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000863567064 589299513 /nfs/dbraw/zinc/29/95/13/589299513.db2.gz BBDFQTRUVREENQ-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCCCC1(C)C ZINC000863567791 589300358 /nfs/dbraw/zinc/30/03/58/589300358.db2.gz GWFIWHGPBBFLRB-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCCC1(C)C ZINC000863567791 589300359 /nfs/dbraw/zinc/30/03/59/589300359.db2.gz GWFIWHGPBBFLRB-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc2cccc(OC)c2o1 ZINC000863644276 589307195 /nfs/dbraw/zinc/30/71/95/589307195.db2.gz PXILEJXXQJAAHJ-UHFFFAOYSA-N 2 2 248.326 2.222 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc2cccc(OC)c2o1 ZINC000863644276 589307197 /nfs/dbraw/zinc/30/71/97/589307197.db2.gz PXILEJXXQJAAHJ-UHFFFAOYSA-N 2 2 248.326 2.222 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000863652544 589307341 /nfs/dbraw/zinc/30/73/41/589307341.db2.gz UMSPWXJJFLDCNH-LLVKDONJSA-N 2 2 248.370 2.179 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000863652544 589307342 /nfs/dbraw/zinc/30/73/42/589307342.db2.gz UMSPWXJJFLDCNH-LLVKDONJSA-N 2 2 248.370 2.179 20 0 BEADLP Cc1nc2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2s1 ZINC000863652896 589307512 /nfs/dbraw/zinc/30/75/12/589307512.db2.gz YDYPNQWMRKKXPA-VIFPVBQESA-N 2 2 249.383 2.384 20 0 BEADLP Cc1nc2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2s1 ZINC000863652896 589307514 /nfs/dbraw/zinc/30/75/14/589307514.db2.gz YDYPNQWMRKKXPA-VIFPVBQESA-N 2 2 249.383 2.384 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000863652055 589307585 /nfs/dbraw/zinc/30/75/85/589307585.db2.gz PIQSLNJOQJUJSQ-SECBINFHSA-N 2 2 236.290 2.351 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000863652055 589307586 /nfs/dbraw/zinc/30/75/86/589307586.db2.gz PIQSLNJOQJUJSQ-SECBINFHSA-N 2 2 236.290 2.351 20 0 BEADLP C[C@]1(CC[NH2+]Cc2c[nH+]c[nH]2)C[C@@]1(F)Cl ZINC000864050187 589334922 /nfs/dbraw/zinc/33/49/22/589334922.db2.gz XXRJRVCVVYQJJM-UWVGGRQHSA-N 2 2 231.702 2.204 20 0 BEADLP Cc1cc(C[NH+]2CCC(C)([NH+](C)C)CC2)ccn1 ZINC000864053735 589335660 /nfs/dbraw/zinc/33/56/60/589335660.db2.gz NJXNEFGSDNRDHR-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000866241023 589482262 /nfs/dbraw/zinc/48/22/62/589482262.db2.gz UALHRYNDQGDMGO-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000866241023 589482263 /nfs/dbraw/zinc/48/22/63/589482263.db2.gz UALHRYNDQGDMGO-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583192 589501435 /nfs/dbraw/zinc/50/14/35/589501435.db2.gz BANPQZMIHQACJO-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583192 589501436 /nfs/dbraw/zinc/50/14/36/589501436.db2.gz BANPQZMIHQACJO-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583192 589501437 /nfs/dbraw/zinc/50/14/37/589501437.db2.gz BANPQZMIHQACJO-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583192 589501438 /nfs/dbraw/zinc/50/14/38/589501438.db2.gz BANPQZMIHQACJO-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC1CCCCCC1 ZINC000866682609 589511113 /nfs/dbraw/zinc/51/11/13/589511113.db2.gz LIQKSHRKWQAMPN-QWHCGFSZSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000866682609 589511115 /nfs/dbraw/zinc/51/11/15/589511115.db2.gz LIQKSHRKWQAMPN-QWHCGFSZSA-N 2 2 240.391 2.147 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866722928 589514905 /nfs/dbraw/zinc/51/49/05/589514905.db2.gz CUBVTZOSUBTKKF-HOTGVXAUSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866722928 589514907 /nfs/dbraw/zinc/51/49/07/589514907.db2.gz CUBVTZOSUBTKKF-HOTGVXAUSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866722930 589515044 /nfs/dbraw/zinc/51/50/44/589515044.db2.gz CUBVTZOSUBTKKF-HZPDHXFCSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866722930 589515046 /nfs/dbraw/zinc/51/50/46/589515046.db2.gz CUBVTZOSUBTKKF-HZPDHXFCSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000122058910 589551719 /nfs/dbraw/zinc/55/17/19/589551719.db2.gz BJXVITFEWPVZBI-ZDUSSCGKSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000122058910 589551721 /nfs/dbraw/zinc/55/17/21/589551721.db2.gz BJXVITFEWPVZBI-ZDUSSCGKSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1[nH+]cn(Cc2[nH+]ccn2CC(F)F)c1C ZINC000871663353 589784969 /nfs/dbraw/zinc/78/49/69/589784969.db2.gz MPEKZADMABKKTK-UHFFFAOYSA-N 2 2 240.257 2.010 20 0 BEADLP Cc1cn(Cc2[nH+]ccn2CC(F)F)c(C)[nH+]1 ZINC000871664098 589785262 /nfs/dbraw/zinc/78/52/62/589785262.db2.gz RBMHOMPKBJBJBJ-UHFFFAOYSA-N 2 2 240.257 2.010 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872038557 589859060 /nfs/dbraw/zinc/85/90/60/589859060.db2.gz MOBXRLMXMQHXCW-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872038557 589859061 /nfs/dbraw/zinc/85/90/61/589859061.db2.gz MOBXRLMXMQHXCW-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CC[NH2+]CC1 ZINC000872783629 589970720 /nfs/dbraw/zinc/97/07/20/589970720.db2.gz CRAVLKRNSCOPKW-SNVBAGLBSA-N 2 2 246.358 2.154 20 0 BEADLP CC1(C)CC([NH2+]Cc2ccon2)CC(C)(C)[NH2+]1 ZINC000873008611 589979437 /nfs/dbraw/zinc/97/94/37/589979437.db2.gz RRYGPVHRRBHYCU-UHFFFAOYSA-N 2 2 237.347 2.073 20 0 BEADLP C[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)Cc2ccccc21 ZINC000873228920 590000498 /nfs/dbraw/zinc/00/04/98/590000498.db2.gz YEYCXTRKEDCUAQ-FUJMWEONSA-N 2 2 242.366 2.358 20 0 BEADLP C[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)Cc2ccccc21 ZINC000873228920 590000500 /nfs/dbraw/zinc/00/05/00/590000500.db2.gz YEYCXTRKEDCUAQ-FUJMWEONSA-N 2 2 242.366 2.358 20 0 BEADLP C[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)Cc2ccccc21 ZINC000873228922 590001303 /nfs/dbraw/zinc/00/13/03/590001303.db2.gz YEYCXTRKEDCUAQ-VEAWUBTESA-N 2 2 242.366 2.358 20 0 BEADLP C[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)Cc2ccccc21 ZINC000873228922 590001306 /nfs/dbraw/zinc/00/13/06/590001306.db2.gz YEYCXTRKEDCUAQ-VEAWUBTESA-N 2 2 242.366 2.358 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1c[nH+]ccc1N ZINC000873239028 590005067 /nfs/dbraw/zinc/00/50/67/590005067.db2.gz MOIFLCUSZNIVOD-SUZMYJTESA-N 2 2 237.322 2.425 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000873293506 590022922 /nfs/dbraw/zinc/02/29/22/590022922.db2.gz LHIYVQBWAOCWPC-HZPDHXFCSA-N 2 2 244.382 2.479 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873294233 590023364 /nfs/dbraw/zinc/02/33/64/590023364.db2.gz QRVASNFMEFFTRZ-KCXAZCMYSA-N 2 2 244.382 2.479 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000125586445 590171772 /nfs/dbraw/zinc/17/17/72/590171772.db2.gz AIWHJZRENOYRIG-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000125586445 590171773 /nfs/dbraw/zinc/17/17/73/590171773.db2.gz AIWHJZRENOYRIG-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000876928795 590258362 /nfs/dbraw/zinc/25/83/62/590258362.db2.gz CTGAREXYUNZKHK-IUCAKERBSA-N 2 2 248.157 2.055 20 0 BEADLP C[C@@H](C[NH2+]CCC[C@@H]1CCO1)[NH+]1CCCCC1 ZINC000876957036 590259778 /nfs/dbraw/zinc/25/97/78/590259778.db2.gz RKSDCLAZRQSBGV-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc(Cl)cs1 ZINC000876992109 590266204 /nfs/dbraw/zinc/26/62/04/590266204.db2.gz LFKUVQDTHDTDME-MRVPVSSYSA-N 2 2 247.795 2.226 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)OC ZINC000877152955 590292693 /nfs/dbraw/zinc/29/26/93/590292693.db2.gz DFIOKEHWIMAXLY-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)OC ZINC000877152955 590292694 /nfs/dbraw/zinc/29/26/94/590292694.db2.gz DFIOKEHWIMAXLY-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1CC1(F)F ZINC000877152478 590292811 /nfs/dbraw/zinc/29/28/11/590292811.db2.gz AEPBVNFXNJQISM-DCAQKATOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1CC1(F)F ZINC000877152478 590292813 /nfs/dbraw/zinc/29/28/13/590292813.db2.gz AEPBVNFXNJQISM-DCAQKATOSA-N 2 2 232.318 2.104 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000126396930 590298131 /nfs/dbraw/zinc/29/81/31/590298131.db2.gz PESWKGQJZWDBMF-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000126396930 590298132 /nfs/dbraw/zinc/29/81/32/590298132.db2.gz PESWKGQJZWDBMF-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1C[C@@H]3CC=CC[C@@H]3C1)CCC2 ZINC000877718737 590399306 /nfs/dbraw/zinc/39/93/06/590399306.db2.gz RHYQSIWUZZLGHZ-BETUJISGSA-N 2 2 243.354 2.227 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1C[C@@H]3CC=CC[C@@H]3C1)CCC2 ZINC000877718737 590399309 /nfs/dbraw/zinc/39/93/09/590399309.db2.gz RHYQSIWUZZLGHZ-BETUJISGSA-N 2 2 243.354 2.227 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741252 590408701 /nfs/dbraw/zinc/40/87/01/590408701.db2.gz AEFOKKTWPJNTQL-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741252 590408702 /nfs/dbraw/zinc/40/87/02/590408702.db2.gz AEFOKKTWPJNTQL-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741252 590408706 /nfs/dbraw/zinc/40/87/06/590408706.db2.gz AEFOKKTWPJNTQL-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741252 590408709 /nfs/dbraw/zinc/40/87/09/590408709.db2.gz AEFOKKTWPJNTQL-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743762 590410841 /nfs/dbraw/zinc/41/08/41/590410841.db2.gz YFAMJOPHEOLXNX-KGLIPLIRSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743762 590410834 /nfs/dbraw/zinc/41/08/34/590410834.db2.gz YFAMJOPHEOLXNX-KGLIPLIRSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743762 590410836 /nfs/dbraw/zinc/41/08/36/590410836.db2.gz YFAMJOPHEOLXNX-KGLIPLIRSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743762 590410838 /nfs/dbraw/zinc/41/08/38/590410838.db2.gz YFAMJOPHEOLXNX-KGLIPLIRSA-N 2 2 234.343 2.114 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877744734 590412734 /nfs/dbraw/zinc/41/27/34/590412734.db2.gz XITPFAGMFQCXJM-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877744734 590412735 /nfs/dbraw/zinc/41/27/35/590412735.db2.gz XITPFAGMFQCXJM-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)o1 ZINC000877744734 590412736 /nfs/dbraw/zinc/41/27/36/590412736.db2.gz XITPFAGMFQCXJM-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)o1 ZINC000877744734 590412737 /nfs/dbraw/zinc/41/27/37/590412737.db2.gz XITPFAGMFQCXJM-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP Cc1conc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172952 590515136 /nfs/dbraw/zinc/51/51/36/590515136.db2.gz PFRKAKSMCKAHDZ-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1conc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252346 590529397 /nfs/dbraw/zinc/52/93/97/590529397.db2.gz JKHXGGSSYQEONT-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1conc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252346 590529399 /nfs/dbraw/zinc/52/93/99/590529399.db2.gz JKHXGGSSYQEONT-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)s1 ZINC000879252226 590721584 /nfs/dbraw/zinc/72/15/84/590721584.db2.gz JJDVFCQOBPWKHQ-SSDOTTSWSA-N 2 2 222.317 2.025 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCC3)CC[C@H]21 ZINC000879573428 590809323 /nfs/dbraw/zinc/80/93/23/590809323.db2.gz OBQVQUXUDJPGLQ-HZSPNIEDSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCC3)CC[C@H]21 ZINC000879573428 590809327 /nfs/dbraw/zinc/80/93/27/590809327.db2.gz OBQVQUXUDJPGLQ-HZSPNIEDSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)CC[C@H]21 ZINC000879573428 590809329 /nfs/dbraw/zinc/80/93/29/590809329.db2.gz OBQVQUXUDJPGLQ-HZSPNIEDSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3C=CCCC3)CC[C@H]21 ZINC000879573428 590809330 /nfs/dbraw/zinc/80/93/30/590809330.db2.gz OBQVQUXUDJPGLQ-HZSPNIEDSA-N 2 2 220.360 2.121 20 0 BEADLP C[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000880001728 590906553 /nfs/dbraw/zinc/90/65/53/590906553.db2.gz AKVVDGCFPYUSHY-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP C[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000880001728 590906554 /nfs/dbraw/zinc/90/65/54/590906554.db2.gz AKVVDGCFPYUSHY-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130261 590930579 /nfs/dbraw/zinc/93/05/79/590930579.db2.gz NVFZMIFUBZXRPY-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130261 590930583 /nfs/dbraw/zinc/93/05/83/590930583.db2.gz NVFZMIFUBZXRPY-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000880130261 590930586 /nfs/dbraw/zinc/93/05/86/590930586.db2.gz NVFZMIFUBZXRPY-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000880130261 590930590 /nfs/dbraw/zinc/93/05/90/590930590.db2.gz NVFZMIFUBZXRPY-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccccc1 ZINC000880130223 590931418 /nfs/dbraw/zinc/93/14/18/590931418.db2.gz NGBXXAYIOUPBJW-GJZGRUSLSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccccc1 ZINC000880130223 590931420 /nfs/dbraw/zinc/93/14/20/590931420.db2.gz NGBXXAYIOUPBJW-GJZGRUSLSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000880130223 590931421 /nfs/dbraw/zinc/93/14/21/590931421.db2.gz NGBXXAYIOUPBJW-GJZGRUSLSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000880130223 590931423 /nfs/dbraw/zinc/93/14/23/590931423.db2.gz NGBXXAYIOUPBJW-GJZGRUSLSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC000880130616 590932725 /nfs/dbraw/zinc/93/27/25/590932725.db2.gz GPSDZYJMOCJWNH-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC000880130616 590932729 /nfs/dbraw/zinc/93/27/29/590932729.db2.gz GPSDZYJMOCJWNH-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC000880130616 590932730 /nfs/dbraw/zinc/93/27/30/590932730.db2.gz GPSDZYJMOCJWNH-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC000880130616 590932733 /nfs/dbraw/zinc/93/27/33/590932733.db2.gz GPSDZYJMOCJWNH-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131695 590933687 /nfs/dbraw/zinc/93/36/87/590933687.db2.gz LOEYSOMBIXCIEV-QWHCGFSZSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131695 590933688 /nfs/dbraw/zinc/93/36/88/590933688.db2.gz LOEYSOMBIXCIEV-QWHCGFSZSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880131695 590933690 /nfs/dbraw/zinc/93/36/90/590933690.db2.gz LOEYSOMBIXCIEV-QWHCGFSZSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880131695 590933691 /nfs/dbraw/zinc/93/36/91/590933691.db2.gz LOEYSOMBIXCIEV-QWHCGFSZSA-N 2 2 210.365 2.201 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCSC1 ZINC000128266840 590955435 /nfs/dbraw/zinc/95/54/35/590955435.db2.gz MFVXESHVGZYFCW-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880132709 590934280 /nfs/dbraw/zinc/93/42/80/590934280.db2.gz QZQWZFGKQQKKHJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880132709 590934282 /nfs/dbraw/zinc/93/42/82/590934282.db2.gz QZQWZFGKQQKKHJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132709 590934284 /nfs/dbraw/zinc/93/42/84/590934284.db2.gz QZQWZFGKQQKKHJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880132709 590934286 /nfs/dbraw/zinc/93/42/86/590934286.db2.gz QZQWZFGKQQKKHJ-CHWSQXEVSA-N 2 2 208.349 2.121 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880136809 590939416 /nfs/dbraw/zinc/93/94/16/590939416.db2.gz SJOAMILMRFEGAL-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880136809 590939417 /nfs/dbraw/zinc/93/94/17/590939417.db2.gz SJOAMILMRFEGAL-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136809 590939420 /nfs/dbraw/zinc/93/94/20/590939420.db2.gz SJOAMILMRFEGAL-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136809 590939421 /nfs/dbraw/zinc/93/94/21/590939421.db2.gz SJOAMILMRFEGAL-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142365 590941841 /nfs/dbraw/zinc/94/18/41/590941841.db2.gz NMYVZOYFINZKND-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142365 590941843 /nfs/dbraw/zinc/94/18/43/590941843.db2.gz NMYVZOYFINZKND-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142365 590941845 /nfs/dbraw/zinc/94/18/45/590941845.db2.gz NMYVZOYFINZKND-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142365 590941846 /nfs/dbraw/zinc/94/18/46/590941846.db2.gz NMYVZOYFINZKND-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCCF ZINC000880141956 590942677 /nfs/dbraw/zinc/94/26/77/590942677.db2.gz LFANHZFQZKKHKN-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCCF ZINC000880141956 590942678 /nfs/dbraw/zinc/94/26/78/590942678.db2.gz LFANHZFQZKKHKN-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC000880141956 590942679 /nfs/dbraw/zinc/94/26/79/590942679.db2.gz LFANHZFQZKKHKN-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCF ZINC000880141956 590942681 /nfs/dbraw/zinc/94/26/81/590942681.db2.gz LFANHZFQZKKHKN-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCSC1 ZINC000128266840 590955432 /nfs/dbraw/zinc/95/54/32/590955432.db2.gz MFVXESHVGZYFCW-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCSC1 ZINC000128267060 590955778 /nfs/dbraw/zinc/95/57/78/590955778.db2.gz MFVXESHVGZYFCW-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCSC1 ZINC000128267060 590955779 /nfs/dbraw/zinc/95/57/79/590955779.db2.gz MFVXESHVGZYFCW-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203567 590957260 /nfs/dbraw/zinc/95/72/60/590957260.db2.gz CTGMGTUHLROHAS-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203567 590957261 /nfs/dbraw/zinc/95/72/61/590957261.db2.gz CTGMGTUHLROHAS-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](Cc2cccnc2)CC1 ZINC000880471944 591051521 /nfs/dbraw/zinc/05/15/21/591051521.db2.gz BDLABLOJHCVCEX-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP CC[N@H+](CCNc1nc[nH+]c(C)c1C)C(C)C ZINC000881905696 591277468 /nfs/dbraw/zinc/27/74/68/591277468.db2.gz VMRDAQIFHIGGQE-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP CC[N@@H+](CCNc1nc[nH+]c(C)c1C)C(C)C ZINC000881905696 591277470 /nfs/dbraw/zinc/27/74/70/591277470.db2.gz VMRDAQIFHIGGQE-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP CC[N@@H+]1CC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000882961799 591486804 /nfs/dbraw/zinc/48/68/04/591486804.db2.gz XYFAQNOQQBUTPD-GFCCVEGCSA-N 2 2 246.358 2.169 20 0 BEADLP CC[N@H+]1CC[C@@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000882961799 591486806 /nfs/dbraw/zinc/48/68/06/591486806.db2.gz XYFAQNOQQBUTPD-GFCCVEGCSA-N 2 2 246.358 2.169 20 0 BEADLP CC1([NH+]2CCC2)CCN(c2cc[nH+]cc2F)CC1 ZINC000882962244 591487399 /nfs/dbraw/zinc/48/73/99/591487399.db2.gz MEBTUNLTNHMZRV-UHFFFAOYSA-N 2 2 249.333 2.285 20 0 BEADLP CSc1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000883121747 591543464 /nfs/dbraw/zinc/54/34/64/591543464.db2.gz QWGYPKZNXTXNLX-UHFFFAOYSA-N 2 2 237.328 2.025 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000883251342 591592984 /nfs/dbraw/zinc/59/29/84/591592984.db2.gz LJFOIYHORBJQHM-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000883251342 591592986 /nfs/dbraw/zinc/59/29/86/591592986.db2.gz LJFOIYHORBJQHM-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000883354820 591625517 /nfs/dbraw/zinc/62/55/17/591625517.db2.gz CSBOWVTUDUKVRI-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+][C@@H](C)CCC(F)(F)F ZINC000883354820 591625518 /nfs/dbraw/zinc/62/55/18/591625518.db2.gz CSBOWVTUDUKVRI-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883414866 591652381 /nfs/dbraw/zinc/65/23/81/591652381.db2.gz HXPMOAGRJKJQEB-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883414866 591652384 /nfs/dbraw/zinc/65/23/84/591652384.db2.gz HXPMOAGRJKJQEB-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2scnc2Cl)C[C@@H]1[NH3+] ZINC000883441508 591669051 /nfs/dbraw/zinc/66/90/51/591669051.db2.gz QGNKSFJMUHEJJR-JGVFFNPUSA-N 2 2 245.779 2.012 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)o1 ZINC000883442299 591669950 /nfs/dbraw/zinc/66/99/50/591669950.db2.gz IMNHMCDISBQXIP-QWRGUYRKSA-N 2 2 237.347 2.013 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000133196072 591776272 /nfs/dbraw/zinc/77/62/72/591776272.db2.gz HPSFYDGFZGLEGP-JSGCOSHPSA-N 2 2 218.344 2.350 20 0 BEADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000133196072 591776276 /nfs/dbraw/zinc/77/62/76/591776276.db2.gz HPSFYDGFZGLEGP-JSGCOSHPSA-N 2 2 218.344 2.350 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000133607480 591842541 /nfs/dbraw/zinc/84/25/41/591842541.db2.gz NSSSDMQUVDUPMM-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000133607480 591842543 /nfs/dbraw/zinc/84/25/43/591842543.db2.gz NSSSDMQUVDUPMM-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP CCc1nc(NC[C@@H](C)[NH+](CC)CC)cc[nH+]1 ZINC000884492050 591955425 /nfs/dbraw/zinc/95/54/25/591955425.db2.gz LLFVSTBJSSHZRY-LLVKDONJSA-N 2 2 236.363 2.181 20 0 BEADLP CCc1nc(N[C@H](C)C[N@H+](C)C(C)C)cc[nH+]1 ZINC000884512022 591962358 /nfs/dbraw/zinc/96/23/58/591962358.db2.gz WKTVOZCNJAJVLG-LLVKDONJSA-N 2 2 236.363 2.180 20 0 BEADLP CCc1nc(N[C@H](C)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC000884512022 591962360 /nfs/dbraw/zinc/96/23/60/591962360.db2.gz WKTVOZCNJAJVLG-LLVKDONJSA-N 2 2 236.363 2.180 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000886792420 592324442 /nfs/dbraw/zinc/32/44/42/592324442.db2.gz YVFBDDHZJQUKCO-LKTVYLICSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000886792420 592324448 /nfs/dbraw/zinc/32/44/48/592324448.db2.gz YVFBDDHZJQUKCO-LKTVYLICSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000886793948 592326154 /nfs/dbraw/zinc/32/61/54/592326154.db2.gz YVFBDDHZJQUKCO-COLVAYQJSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000886793948 592326158 /nfs/dbraw/zinc/32/61/58/592326158.db2.gz YVFBDDHZJQUKCO-COLVAYQJSA-N 2 2 248.345 2.353 20 0 BEADLP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841244 592360305 /nfs/dbraw/zinc/36/03/05/592360305.db2.gz GBRUATQVOPNFJZ-CBBWQLFWSA-N 2 2 234.387 2.249 20 0 BEADLP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841244 592360308 /nfs/dbraw/zinc/36/03/08/592360308.db2.gz GBRUATQVOPNFJZ-CBBWQLFWSA-N 2 2 234.387 2.249 20 0 BEADLP CCN(Cc1c(C)cc(C)[nH+]c1C)[C@H]1CC[NH2+]C1 ZINC000886846862 592365624 /nfs/dbraw/zinc/36/56/24/592365624.db2.gz QLASEXKTBCQJHW-AWEZNQCLSA-N 2 2 247.386 2.191 20 0 BEADLP CCS[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000300377531 592509387 /nfs/dbraw/zinc/50/93/87/592509387.db2.gz AENXGGZYSLHARO-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP c1ccc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257703909 634473798 /nfs/dbraw/zinc/47/37/98/634473798.db2.gz QSFHKKPIGNEMKE-OAHLLOKOSA-N 2 2 230.355 2.057 20 0 BEADLP c1ccc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257703909 634473803 /nfs/dbraw/zinc/47/38/03/634473803.db2.gz QSFHKKPIGNEMKE-OAHLLOKOSA-N 2 2 230.355 2.057 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000257709448 634477668 /nfs/dbraw/zinc/47/76/68/634477668.db2.gz SJIQVPQFUBERLX-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000257709448 634477670 /nfs/dbraw/zinc/47/76/70/634477670.db2.gz SJIQVPQFUBERLX-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257723745 634480767 /nfs/dbraw/zinc/48/07/67/634480767.db2.gz WBHZSHIALZFHBN-MRXNPFEDSA-N 2 2 244.382 2.365 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257723745 634480771 /nfs/dbraw/zinc/48/07/71/634480771.db2.gz WBHZSHIALZFHBN-MRXNPFEDSA-N 2 2 244.382 2.365 20 0 BEADLP c1csc(CC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257732645 634485689 /nfs/dbraw/zinc/48/56/89/634485689.db2.gz XLPUDPPYYYKDMW-ZDUSSCGKSA-N 2 2 236.384 2.119 20 0 BEADLP c1csc(CC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257732645 634485693 /nfs/dbraw/zinc/48/56/93/634485693.db2.gz XLPUDPPYYYKDMW-ZDUSSCGKSA-N 2 2 236.384 2.119 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000925730931 634560879 /nfs/dbraw/zinc/56/08/79/634560879.db2.gz YMWMPMGKIANQSO-FZMZJTMJSA-N 2 2 243.354 2.398 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000258976852 631704479 /nfs/dbraw/zinc/70/44/79/631704479.db2.gz BZUQHQPYKPJQGG-UHFFFAOYSA-N 2 2 216.284 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000309034091 631807883 /nfs/dbraw/zinc/80/78/83/631807883.db2.gz DURUOWBOHLHANI-UWVGGRQHSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000309034091 631807887 /nfs/dbraw/zinc/80/78/87/631807887.db2.gz DURUOWBOHLHANI-UWVGGRQHSA-N 2 2 210.296 2.166 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000252712294 635711791 /nfs/dbraw/zinc/71/17/91/635711791.db2.gz MAPOZWYJRRKPES-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000252712294 635711796 /nfs/dbraw/zinc/71/17/96/635711796.db2.gz MAPOZWYJRRKPES-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1Cl ZINC000309031506 632618478 /nfs/dbraw/zinc/61/84/78/632618478.db2.gz BWNMARQEEPUDOO-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1Cl ZINC000309031506 632618488 /nfs/dbraw/zinc/61/84/88/632618488.db2.gz BWNMARQEEPUDOO-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000309113047 632640560 /nfs/dbraw/zinc/64/05/60/632640560.db2.gz KICDNNCZAPULGP-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000309113047 632640563 /nfs/dbraw/zinc/64/05/63/632640563.db2.gz KICDNNCZAPULGP-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC1 ZINC000309732678 632662593 /nfs/dbraw/zinc/66/25/93/632662593.db2.gz BMKPAWHAEQEAMQ-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC1 ZINC000309732678 632662595 /nfs/dbraw/zinc/66/25/95/632662595.db2.gz BMKPAWHAEQEAMQ-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC1 ZINC000309732690 632663359 /nfs/dbraw/zinc/66/33/59/632663359.db2.gz BMKPAWHAEQEAMQ-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CCC1 ZINC000309732690 632663364 /nfs/dbraw/zinc/66/33/64/632663364.db2.gz BMKPAWHAEQEAMQ-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccccc1C[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000310351323 632726911 /nfs/dbraw/zinc/72/69/11/632726911.db2.gz GXSFOAIFFWQGEE-LBPRGKRZSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1ccccc1C[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000310351323 632726915 /nfs/dbraw/zinc/72/69/15/632726915.db2.gz GXSFOAIFFWQGEE-LBPRGKRZSA-N 2 2 242.313 2.409 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712639 632858737 /nfs/dbraw/zinc/85/87/37/632858737.db2.gz AAXLZVMXJMOCFK-YJNKXOJESA-N 2 2 234.387 2.415 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712639 632858738 /nfs/dbraw/zinc/85/87/38/632858738.db2.gz AAXLZVMXJMOCFK-YJNKXOJESA-N 2 2 234.387 2.415 20 0 BEADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC[NH+]1CCCC1 ZINC000924561586 632861008 /nfs/dbraw/zinc/86/10/08/632861008.db2.gz MSIWCRAVWJFGKD-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cncc2ccccc21 ZINC000310747210 632933767 /nfs/dbraw/zinc/93/37/67/632933767.db2.gz HHAJDFPASKXRRY-IAQYHMDHSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cncc2ccccc21 ZINC000310747210 632933768 /nfs/dbraw/zinc/93/37/68/632933768.db2.gz HHAJDFPASKXRRY-IAQYHMDHSA-N 2 2 241.338 2.156 20 0 BEADLP c1ccc(NCCC[NH2+]C2CCCC2)[nH+]c1 ZINC000309588865 633208741 /nfs/dbraw/zinc/20/87/41/633208741.db2.gz XUTZSFKLEUKECY-UHFFFAOYSA-N 2 2 219.332 2.416 20 0 BEADLP Cc1ccc(OCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000925509687 633848499 /nfs/dbraw/zinc/84/84/99/633848499.db2.gz OFQVIBFMMIWRGE-UKRRQHHQSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(OCC[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000925510821 633849826 /nfs/dbraw/zinc/84/98/26/633849826.db2.gz ZTWVZRSASNLGMD-AWEZNQCLSA-N 2 2 248.370 2.104 20 0 BEADLP CSC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000925516182 633866066 /nfs/dbraw/zinc/86/60/66/633866066.db2.gz VZWZYMYNKOLNNZ-WTIISPKJSA-N 2 2 242.432 2.199 20 0 BEADLP CSC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000925516182 633866039 /nfs/dbraw/zinc/86/60/39/633866039.db2.gz VZWZYMYNKOLNNZ-WTIISPKJSA-N 2 2 242.432 2.199 20 0 BEADLP C[C@H]1Cc2[nH+]cn(C[C@H]3CCC[N@@H+]3C)c2C[C@@H]1C ZINC000930609296 633933629 /nfs/dbraw/zinc/93/36/29/633933629.db2.gz DDDWXXUPXSWYMI-RWMBFGLXSA-N 2 2 247.386 2.348 20 0 BEADLP C[C@H]1Cc2[nH+]cn(C[C@H]3CCC[N@H+]3C)c2C[C@@H]1C ZINC000930609296 633933632 /nfs/dbraw/zinc/93/36/32/633933632.db2.gz DDDWXXUPXSWYMI-RWMBFGLXSA-N 2 2 247.386 2.348 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000309710896 633995685 /nfs/dbraw/zinc/99/56/85/633995685.db2.gz XCKJANXDTDMXSF-HSBZDZAISA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000309710896 633995693 /nfs/dbraw/zinc/99/56/93/633995693.db2.gz XCKJANXDTDMXSF-HSBZDZAISA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)cc[nH+]1 ZINC000092349821 634073722 /nfs/dbraw/zinc/07/37/22/634073722.db2.gz KMPKIYFATVGREP-UHFFFAOYSA-N 2 2 235.331 2.107 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000925583166 634089875 /nfs/dbraw/zinc/08/98/75/634089875.db2.gz JQESXAUTLBUGLR-SWLSCSKDSA-N 2 2 248.370 2.234 20 0 BEADLP CCCOc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000310247985 634101079 /nfs/dbraw/zinc/10/10/79/634101079.db2.gz CYJDPEHHXISPQP-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000310247985 634101088 /nfs/dbraw/zinc/10/10/88/634101088.db2.gz CYJDPEHHXISPQP-LBPRGKRZSA-N 2 2 236.359 2.254 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925682397 634283721 /nfs/dbraw/zinc/28/37/21/634283721.db2.gz WMFGEOTZESDACX-LLVKDONJSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693171 634327029 /nfs/dbraw/zinc/32/70/29/634327029.db2.gz LSJZTQIPFWAFGQ-QHSBEEBCSA-N 2 2 248.370 2.232 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1ccccc1 ZINC000931720853 635274761 /nfs/dbraw/zinc/27/47/61/635274761.db2.gz AHKNCYDVAVYJMZ-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1ccccc1 ZINC000931720853 635274771 /nfs/dbraw/zinc/27/47/71/635274771.db2.gz AHKNCYDVAVYJMZ-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1ccccc1 ZINC000931720853 635274779 /nfs/dbraw/zinc/27/47/79/635274779.db2.gz AHKNCYDVAVYJMZ-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1ccccc1 ZINC000931720853 635274785 /nfs/dbraw/zinc/27/47/85/635274785.db2.gz AHKNCYDVAVYJMZ-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174799 636352919 /nfs/dbraw/zinc/35/29/19/636352919.db2.gz BXMQBPRIKAWXPK-BARDWOONSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174799 636352922 /nfs/dbraw/zinc/35/29/22/636352922.db2.gz BXMQBPRIKAWXPK-BARDWOONSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197059 636375885 /nfs/dbraw/zinc/37/58/85/636375885.db2.gz JZTRBAPIDZAKIL-BYNSBNAKSA-N 2 2 234.387 2.273 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197059 636375891 /nfs/dbraw/zinc/37/58/91/636375891.db2.gz JZTRBAPIDZAKIL-BYNSBNAKSA-N 2 2 234.387 2.273 20 0 BEADLP CC1(C)C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000903559662 637369660 /nfs/dbraw/zinc/36/96/60/637369660.db2.gz BMDDRMCTVFDJEQ-WDEREUQCSA-N 2 2 246.345 2.481 20 0 BEADLP CC1(C)C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1[NH3+] ZINC000903559662 637369664 /nfs/dbraw/zinc/36/96/64/637369664.db2.gz BMDDRMCTVFDJEQ-WDEREUQCSA-N 2 2 246.345 2.481 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000904462504 637405883 /nfs/dbraw/zinc/40/58/83/637405883.db2.gz KULHHHNIVDSMBN-NSHDSACASA-N 2 2 224.373 2.144 20 0 BEADLP COc1ccc2oc(C[NH2+]CC3([NH3+])CC3)cc2c1 ZINC000904451353 637417950 /nfs/dbraw/zinc/41/79/50/637417950.db2.gz XRJWDFWSZQKDSL-UHFFFAOYSA-N 2 2 246.310 2.022 20 0 BEADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC1 ZINC000904458124 637421465 /nfs/dbraw/zinc/42/14/65/637421465.db2.gz BNKITOBGSJZPNT-VCTAVGKDSA-N 2 2 230.355 2.389 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1cncs1 ZINC000904470237 637422542 /nfs/dbraw/zinc/42/25/42/637422542.db2.gz VKHNESDBUMEQRR-ZJUUUORDSA-N 2 2 227.377 2.167 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1cncs1 ZINC000904470234 637423146 /nfs/dbraw/zinc/42/31/46/637423146.db2.gz VKHNESDBUMEQRR-NXEZZACHSA-N 2 2 227.377 2.167 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1CCOc1cc[nH+]cc1 ZINC000906508123 638179447 /nfs/dbraw/zinc/17/94/47/638179447.db2.gz VKZSNYCUNHKOGT-GFCCVEGCSA-N 2 2 220.316 2.335 20 0 BEADLP C[N@H+]1CCCC[C@@H]1CCOc1cc[nH+]cc1 ZINC000906508123 638179455 /nfs/dbraw/zinc/17/94/55/638179455.db2.gz VKZSNYCUNHKOGT-GFCCVEGCSA-N 2 2 220.316 2.335 20 0 BEADLP C[N@@H+]1CCCC[C@H]1CCOc1cc[nH+]cc1 ZINC000906508124 638179574 /nfs/dbraw/zinc/17/95/74/638179574.db2.gz VKZSNYCUNHKOGT-LBPRGKRZSA-N 2 2 220.316 2.335 20 0 BEADLP C[N@H+]1CCCC[C@H]1CCOc1cc[nH+]cc1 ZINC000906508124 638179575 /nfs/dbraw/zinc/17/95/75/638179575.db2.gz VKZSNYCUNHKOGT-LBPRGKRZSA-N 2 2 220.316 2.335 20 0 BEADLP Cc1cc(F)c(C[NH2+]C2CC([NH3+])C2)c(Cl)c1 ZINC000906509941 638184224 /nfs/dbraw/zinc/18/42/24/638184224.db2.gz DMYYDZBVUIPPJS-UHFFFAOYSA-N 2 2 242.725 2.367 20 0 BEADLP CCCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000906534482 638201487 /nfs/dbraw/zinc/20/14/87/638201487.db2.gz RKKMTHPJVQWGAD-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000906534482 638201488 /nfs/dbraw/zinc/20/14/88/638201488.db2.gz RKKMTHPJVQWGAD-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP Nc1cc[nH+]c2c1C[N@@H+]([C@@H]1C=CCCC1)CC2 ZINC000931510651 640243601 /nfs/dbraw/zinc/24/36/01/640243601.db2.gz GKVHTUBTFBCDMK-LLVKDONJSA-N 2 2 229.327 2.131 20 0 BEADLP Nc1cc[nH+]c2c1C[N@H+]([C@@H]1C=CCCC1)CC2 ZINC000931510651 640243608 /nfs/dbraw/zinc/24/36/08/640243608.db2.gz GKVHTUBTFBCDMK-LLVKDONJSA-N 2 2 229.327 2.131 20 0 BEADLP Cc1cc(C)c(CN2CCn3cc[nH+]c32)c(C)[nH+]1 ZINC000931517622 640248009 /nfs/dbraw/zinc/24/80/09/640248009.db2.gz HHLKRCTTXAMHQT-UHFFFAOYSA-N 2 2 242.326 2.224 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931623290 640293832 /nfs/dbraw/zinc/29/38/32/640293832.db2.gz YQJSRFMEDYGPOE-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931623290 640293835 /nfs/dbraw/zinc/29/38/35/640293835.db2.gz YQJSRFMEDYGPOE-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000931623290 640293843 /nfs/dbraw/zinc/29/38/43/640293843.db2.gz YQJSRFMEDYGPOE-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000931623290 640293848 /nfs/dbraw/zinc/29/38/48/640293848.db2.gz YQJSRFMEDYGPOE-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000036335625 640501208 /nfs/dbraw/zinc/50/12/08/640501208.db2.gz PWCUFQVUMRNBBC-UHFFFAOYSA-N 2 2 247.386 2.331 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000168418386 640804936 /nfs/dbraw/zinc/80/49/36/640804936.db2.gz NLNRCSLCMVQCKM-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000168418386 640804939 /nfs/dbraw/zinc/80/49/39/640804939.db2.gz NLNRCSLCMVQCKM-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1[nH]c(C[NH2+][C@@H](C)Cc2cccnc2)c(C)[nH+]1 ZINC000934225100 641104431 /nfs/dbraw/zinc/10/44/31/641104431.db2.gz AQBAJUDHXOSBJY-JTQLQIEISA-N 2 2 244.342 2.142 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)C[Si](C)(C)C)CC[N@@H+]1C ZINC000172849418 641118892 /nfs/dbraw/zinc/11/88/92/641118892.db2.gz DTORBMYLCYFYDP-RYUDHWBXSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)C[Si](C)(C)C)CC[N@H+]1C ZINC000172849418 641118896 /nfs/dbraw/zinc/11/88/96/641118896.db2.gz DTORBMYLCYFYDP-RYUDHWBXSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849418 641118898 /nfs/dbraw/zinc/11/88/98/641118898.db2.gz DTORBMYLCYFYDP-RYUDHWBXSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849418 641118899 /nfs/dbraw/zinc/11/88/99/641118899.db2.gz DTORBMYLCYFYDP-RYUDHWBXSA-N 2 2 228.456 2.278 20 0 BEADLP CSCC(C)(C)[NH2+]CCCn1cc[nH+]c1 ZINC000934668524 641240292 /nfs/dbraw/zinc/24/02/92/641240292.db2.gz CRWIYFIKJUKVSF-UHFFFAOYSA-N 2 2 227.377 2.004 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000041213137 641543481 /nfs/dbraw/zinc/54/34/81/641543481.db2.gz RKSJQMNRKQKFRA-DGCLKSJQSA-N 2 2 204.317 2.089 20 0 BEADLP c1ccc(NC2CC[NH+](CC3CC3)CC2)[nH+]c1 ZINC000917089807 642005802 /nfs/dbraw/zinc/00/58/02/642005802.db2.gz ZHPSMAUBUJXWGD-UHFFFAOYSA-N 2 2 231.343 2.368 20 0 BEADLP C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000306261443 642733576 /nfs/dbraw/zinc/73/35/76/642733576.db2.gz WTZHKWWNYDSNFA-NSHDSACASA-N 2 2 228.286 2.101 20 0 BEADLP C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000306261443 642733584 /nfs/dbraw/zinc/73/35/84/642733584.db2.gz WTZHKWWNYDSNFA-NSHDSACASA-N 2 2 228.286 2.101 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000070356770 643019293 /nfs/dbraw/zinc/01/92/93/643019293.db2.gz CDUJPAWRSSODBD-MCIONIFRSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCCC1 ZINC000035259030 643103799 /nfs/dbraw/zinc/10/37/99/643103799.db2.gz QWKLNNDJLMJPDZ-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+](Cc1ccc(C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071312065 643121896 /nfs/dbraw/zinc/12/18/96/643121896.db2.gz HTIKHMYIUSKFAT-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1ccc(C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071312065 643121897 /nfs/dbraw/zinc/12/18/97/643121897.db2.gz HTIKHMYIUSKFAT-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH+](C)CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932380831 643191616 /nfs/dbraw/zinc/19/16/16/643191616.db2.gz WWGSBISMPFPJJK-CQSZACIVSA-N 2 2 233.359 2.074 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093770600 643339266 /nfs/dbraw/zinc/33/92/66/643339266.db2.gz ILNMWCUHHSKIOW-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccoc2)C1 ZINC000093770600 643339269 /nfs/dbraw/zinc/33/92/69/643339269.db2.gz ILNMWCUHHSKIOW-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093770600 643339273 /nfs/dbraw/zinc/33/92/73/643339273.db2.gz ILNMWCUHHSKIOW-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093770600 643339277 /nfs/dbraw/zinc/33/92/77/643339277.db2.gz ILNMWCUHHSKIOW-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP Cc1ncsc1C[N@H+](C)CCC[NH2+]C1CC1 ZINC000082633683 643356499 /nfs/dbraw/zinc/35/64/99/643356499.db2.gz ZVKVNZLDSTWLKR-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1ncsc1C[N@@H+](C)CCC[NH2+]C1CC1 ZINC000082633683 643356518 /nfs/dbraw/zinc/35/65/18/643356518.db2.gz ZVKVNZLDSTWLKR-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000082594792 643513824 /nfs/dbraw/zinc/51/38/24/643513824.db2.gz WUCSNUGDYKWKHU-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000082594792 643513832 /nfs/dbraw/zinc/51/38/32/643513832.db2.gz WUCSNUGDYKWKHU-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000922284369 643953238 /nfs/dbraw/zinc/95/32/38/643953238.db2.gz BKESIJXIILLXPT-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000922284369 643953242 /nfs/dbraw/zinc/95/32/42/643953242.db2.gz BKESIJXIILLXPT-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP C[NH+](C)CC[C@@H]([NH2+]CC1(C)CC1)c1cccnc1 ZINC000922633620 644047969 /nfs/dbraw/zinc/04/79/69/644047969.db2.gz RVOCVDYWPPXGBY-CQSZACIVSA-N 2 2 247.386 2.464 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526005 644485233 /nfs/dbraw/zinc/48/52/33/644485233.db2.gz MYDBVUOKZQVMLD-RBSFLKMASA-N 2 2 234.387 2.249 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526005 644485236 /nfs/dbraw/zinc/48/52/36/644485236.db2.gz MYDBVUOKZQVMLD-RBSFLKMASA-N 2 2 234.387 2.249 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000094371219 644716001 /nfs/dbraw/zinc/71/60/01/644716001.db2.gz LOQCCOJTONXCIP-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817979972 644992342 /nfs/dbraw/zinc/99/23/42/644992342.db2.gz QRUHZFDJBSZXQD-WCBMZHEXSA-N 2 2 227.739 2.123 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817979974 644993058 /nfs/dbraw/zinc/99/30/58/644993058.db2.gz QRUHZFDJBSZXQD-WPRPVWTQSA-N 2 2 227.739 2.123 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC000852753051 645488931 /nfs/dbraw/zinc/48/89/31/645488931.db2.gz VAQGIXRGZITDHG-HTQZYQBOSA-N 2 2 223.147 2.165 20 0 BEADLP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110997 645553140 /nfs/dbraw/zinc/55/31/40/645553140.db2.gz XVJPJICXRNQYNU-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927110997 645553145 /nfs/dbraw/zinc/55/31/45/645553145.db2.gz XVJPJICXRNQYNU-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH2+][C@@H](CCC[NH3+])c1ccccc1)[NH+](C)C ZINC000925494610 645924130 /nfs/dbraw/zinc/92/41/30/645924130.db2.gz KPXMDYGPIKHYNU-ZFWWWQNUSA-N 3 2 249.402 2.006 20 0 BEADLP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925496715 645942209 /nfs/dbraw/zinc/94/22/09/645942209.db2.gz VLVNWYILJRBUBF-BPLDGKMQSA-N 2 2 248.370 2.104 20 0 BEADLP CO[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925496719 645942236 /nfs/dbraw/zinc/94/22/36/645942236.db2.gz VLVNWYILJRBUBF-VHDGCEQUSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000924540421 646059802 /nfs/dbraw/zinc/05/98/02/646059802.db2.gz IFVJIZNLDBDZGD-JSGCOSHPSA-N 2 2 244.423 2.246 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccns1 ZINC000924647024 646083948 /nfs/dbraw/zinc/08/39/48/646083948.db2.gz CJIIHXRSERLWCH-UWVGGRQHSA-N 2 2 236.344 2.079 20 0 BEADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC[N@H+](C)C(C)C ZINC000924903059 646127733 /nfs/dbraw/zinc/12/77/33/646127733.db2.gz FLRLWNXMAIJULH-KGLIPLIRSA-N 2 2 244.423 2.246 20 0 BEADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000924903059 646127737 /nfs/dbraw/zinc/12/77/37/646127737.db2.gz FLRLWNXMAIJULH-KGLIPLIRSA-N 2 2 244.423 2.246 20 0 BEADLP C[C@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)[NH+](C)C ZINC000924957384 646141337 /nfs/dbraw/zinc/14/13/37/646141337.db2.gz LOGOQFUTOMYBIQ-PWSUYJOCSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000929638154 646216877 /nfs/dbraw/zinc/21/68/77/646216877.db2.gz AZXMBWPYSLPIJI-CQSZACIVSA-N 2 2 247.386 2.082 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000929638154 646216882 /nfs/dbraw/zinc/21/68/82/646216882.db2.gz AZXMBWPYSLPIJI-CQSZACIVSA-N 2 2 247.386 2.082 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000925490504 646300264 /nfs/dbraw/zinc/30/02/64/646300264.db2.gz OBFDYGMDQDWJQG-DJIHRAIXSA-N 2 2 204.317 2.073 20 0 BEADLP COCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925528680 646316670 /nfs/dbraw/zinc/31/66/70/646316670.db2.gz VHXSQHILEOSJMV-CQSZACIVSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000925572973 646341544 /nfs/dbraw/zinc/34/15/44/646341544.db2.gz LEAKPENAPHEMKJ-WCFLWFBJSA-N 2 2 236.384 2.170 20 0 BEADLP CS[C@H](C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925587078 646346061 /nfs/dbraw/zinc/34/60/61/646346061.db2.gz NBGXKGDJMPIBPQ-NTZNESFSSA-N 2 2 238.400 2.416 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925584088 646346112 /nfs/dbraw/zinc/34/61/12/646346112.db2.gz JSRDJOYTYPZZBG-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP COC/C(C)=C\C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992154 646386710 /nfs/dbraw/zinc/38/67/10/646386710.db2.gz NARURACTYHWVSZ-XLVZXTRVSA-N 2 2 249.358 2.182 20 0 BEADLP COC/C(C)=C\C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992154 646386715 /nfs/dbraw/zinc/38/67/15/646386715.db2.gz NARURACTYHWVSZ-XLVZXTRVSA-N 2 2 249.358 2.182 20 0 BEADLP FC(F)(F)C1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925670074 646399519 /nfs/dbraw/zinc/39/95/19/646399519.db2.gz HOPQJTCRUDVUCT-VIFPVBQESA-N 2 2 248.292 2.203 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000925669628 646399910 /nfs/dbraw/zinc/39/99/10/646399910.db2.gz CPEFTFPZPSNVIL-RKDXNWHRSA-N 2 2 236.281 2.059 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000925673705 646402906 /nfs/dbraw/zinc/40/29/06/646402906.db2.gz OYSYYWRUIRARKQ-WFASDCNBSA-N 2 2 246.354 2.011 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000925673704 646403426 /nfs/dbraw/zinc/40/34/26/646403426.db2.gz OYSYYWRUIRARKQ-SWLSCSKDSA-N 2 2 246.354 2.011 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000925727073 646452306 /nfs/dbraw/zinc/45/23/06/646452306.db2.gz XRWVTZCLVRKOPS-MIBAYGRRSA-N 2 2 248.370 2.230 20 0 BEADLP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])c[nH+]c1C ZINC000925768577 646468671 /nfs/dbraw/zinc/46/86/71/646468671.db2.gz KUMCPWRNTDYWOS-UWVGGRQHSA-N 2 2 207.321 2.236 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccoc1 ZINC000925782400 646478853 /nfs/dbraw/zinc/47/88/53/646478853.db2.gz LORQBJXWLKALIK-MWLCHTKSSA-N 2 2 244.285 2.175 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000925786280 646480595 /nfs/dbraw/zinc/48/05/95/646480595.db2.gz YVJFRLVFPQAOIA-WKPIXPDZSA-N 2 2 248.345 2.401 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925786995 646482540 /nfs/dbraw/zinc/48/25/40/646482540.db2.gz RPQGUYHHNRGQKL-LALPHHSUSA-N 2 2 248.370 2.344 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@H]3C=C[C@@H]1CC3)CC2 ZINC000926230305 646600671 /nfs/dbraw/zinc/60/06/71/646600671.db2.gz RZDJJAISYVKEHU-DGAVXFQQSA-N 2 2 243.354 2.142 20 0 BEADLP C[C@H](F)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926484806 646656135 /nfs/dbraw/zinc/65/61/35/646656135.db2.gz FDDPLPSYSVKQHB-XQQFMLRXSA-N 2 2 228.355 2.341 20 0 BEADLP C[C@H](F)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926484806 646656138 /nfs/dbraw/zinc/65/61/38/646656138.db2.gz FDDPLPSYSVKQHB-XQQFMLRXSA-N 2 2 228.355 2.341 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000721550389 711622446 /nfs/dbraw/zinc/62/24/46/711622446.db2.gz OAIMCMARYMLPOK-UPJWGTAASA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000721550386 711622582 /nfs/dbraw/zinc/62/25/82/711622582.db2.gz OAIMCMARYMLPOK-FRRDWIJNSA-N 2 2 242.407 2.120 20 0 BEADLP CSC1CC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000706931822 712161573 /nfs/dbraw/zinc/16/15/73/712161573.db2.gz UBUKGMQJPBJFDX-UNXYVOJBSA-N 2 2 242.432 2.343 20 0 BEADLP CCC1([NH3+])CC[NH+](Cc2cnc(C)s2)CC1 ZINC000714759118 712497948 /nfs/dbraw/zinc/49/79/48/712497948.db2.gz MNVCXNVUTJQCMW-UHFFFAOYSA-N 2 2 239.388 2.155 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccns1 ZINC000716046980 712548366 /nfs/dbraw/zinc/54/83/66/712548366.db2.gz IVXKOKFAVUGJFH-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccns1 ZINC000716046980 712548367 /nfs/dbraw/zinc/54/83/67/712548367.db2.gz IVXKOKFAVUGJFH-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718051948 712739182 /nfs/dbraw/zinc/73/91/82/712739182.db2.gz KGOBQXNZIRZJNM-ZDUSSCGKSA-N 2 2 236.359 2.410 20 0 BEADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718051948 712739185 /nfs/dbraw/zinc/73/91/85/712739185.db2.gz KGOBQXNZIRZJNM-ZDUSSCGKSA-N 2 2 236.359 2.410 20 0 BEADLP CSC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000719642756 712819451 /nfs/dbraw/zinc/81/94/51/712819451.db2.gz QOLOOZQGVMVYLQ-MNOVXSKESA-N 2 2 230.421 2.200 20 0 BEADLP CSC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000719642756 712819453 /nfs/dbraw/zinc/81/94/53/712819453.db2.gz QOLOOZQGVMVYLQ-MNOVXSKESA-N 2 2 230.421 2.200 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383106261 710977024 /nfs/dbraw/zinc/97/70/24/710977024.db2.gz DEXQLTQNYNYRQY-SZZQBSIJSA-N 2 2 248.395 2.143 20 0 BEADLP Cc1ccc2cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc2n1 ZINC000381209121 710609082 /nfs/dbraw/zinc/60/90/82/710609082.db2.gz TUJNUPAHQDJLDO-NSHDSACASA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2cc(C[N@H+](C)C[C@H](C)[NH3+])ccc2n1 ZINC000381209121 710609086 /nfs/dbraw/zinc/60/90/86/710609086.db2.gz TUJNUPAHQDJLDO-NSHDSACASA-N 2 2 243.354 2.322 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000381255902 710612263 /nfs/dbraw/zinc/61/22/63/710612263.db2.gz QUJTWAJLSVCUJM-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000381255902 710612265 /nfs/dbraw/zinc/61/22/65/710612265.db2.gz QUJTWAJLSVCUJM-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH2+]C[C@@H]1CCCCN1Cc1cc(C)cc(C)[nH+]1 ZINC000723846126 711539134 /nfs/dbraw/zinc/53/91/34/711539134.db2.gz NOGNOIZLGYLELF-HNNXBMFYSA-N 2 2 247.386 2.272 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000718573134 711661019 /nfs/dbraw/zinc/66/10/19/711661019.db2.gz VOTAIFGBKGPDPK-SNVBAGLBSA-N 2 2 220.307 2.235 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000718573134 711661021 /nfs/dbraw/zinc/66/10/21/711661021.db2.gz VOTAIFGBKGPDPK-SNVBAGLBSA-N 2 2 220.307 2.235 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000721245825 711794288 /nfs/dbraw/zinc/79/42/88/711794288.db2.gz GSVCSFJBWGRPLB-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000721245825 711794290 /nfs/dbraw/zinc/79/42/90/711794290.db2.gz GSVCSFJBWGRPLB-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCCC1 ZINC000224393180 711826757 /nfs/dbraw/zinc/82/67/57/711826757.db2.gz DOMQEAMHFPVLKD-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)Oc1ccccc1 ZINC000700321062 711989939 /nfs/dbraw/zinc/98/99/39/711989939.db2.gz VUSDHCDTBHJGRY-UMVBOHGHSA-N 2 2 248.370 2.184 20 0 BEADLP c1cn(-c2ccc(C[NH2+]C3CSC3)cc2)c[nH+]1 ZINC000702031686 712036852 /nfs/dbraw/zinc/03/68/52/712036852.db2.gz ZQAPDHKRICDUHM-UHFFFAOYSA-N 2 2 245.351 2.077 20 0 BEADLP CC(C)CCCC[NH2+]C[C@@H](C)[NH+](C)C ZINC000703952510 712092893 /nfs/dbraw/zinc/09/28/93/712092893.db2.gz HIRBBWVVEFPYFY-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP CC[N@@H+]1CC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000712581133 712433619 /nfs/dbraw/zinc/43/36/19/712433619.db2.gz UBNWIVBNGXFFFZ-SNVBAGLBSA-N 2 2 230.315 2.069 20 0 BEADLP CC[N@H+]1CC[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000712581133 712433620 /nfs/dbraw/zinc/43/36/20/712433620.db2.gz UBNWIVBNGXFFFZ-SNVBAGLBSA-N 2 2 230.315 2.069 20 0 BEADLP Cc1cc(C[N@@H+]2CC[NH2+]CCC23CCC3)ccn1 ZINC000713142804 712453212 /nfs/dbraw/zinc/45/32/12/712453212.db2.gz WZSHHWAUPKPCHE-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cc(C[N@H+]2CC[NH2+]CCC23CCC3)ccn1 ZINC000713142804 712453213 /nfs/dbraw/zinc/45/32/13/712453213.db2.gz WZSHHWAUPKPCHE-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP CC1(C)C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1[NH3+] ZINC000714351301 712483163 /nfs/dbraw/zinc/48/31/63/712483163.db2.gz YRIDXYSOIDXIMO-NWDGAFQWSA-N 2 2 240.391 2.003 20 0 BEADLP CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1[NH3+] ZINC000714351301 712483165 /nfs/dbraw/zinc/48/31/65/712483165.db2.gz YRIDXYSOIDXIMO-NWDGAFQWSA-N 2 2 240.391 2.003 20 0 BEADLP CC1(C)C[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] ZINC000714778462 712498538 /nfs/dbraw/zinc/49/85/38/712498538.db2.gz JQNPLRMFDQPWAQ-FRRDWIJNSA-N 2 2 222.376 2.092 20 0 BEADLP CC1(C)C[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1[NH3+] ZINC000714778462 712498539 /nfs/dbraw/zinc/49/85/39/712498539.db2.gz JQNPLRMFDQPWAQ-FRRDWIJNSA-N 2 2 222.376 2.092 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1C(F)(F)F ZINC000716998758 712602978 /nfs/dbraw/zinc/60/29/78/712602978.db2.gz LBQNSWABTRFQQK-WDEREUQCSA-N 2 2 248.292 2.164 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1C(F)(F)F ZINC000716998758 712602979 /nfs/dbraw/zinc/60/29/79/712602979.db2.gz LBQNSWABTRFQQK-WDEREUQCSA-N 2 2 248.292 2.164 20 0 BEADLP CC1(C)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000379994839 712645279 /nfs/dbraw/zinc/64/52/79/712645279.db2.gz ZTTLYJIOGAMIGI-VIFPVBQESA-N 2 2 220.307 2.091 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000380072744 712684854 /nfs/dbraw/zinc/68/48/54/712684854.db2.gz DOSCEGSFTUANCR-WDEREUQCSA-N 2 2 232.437 2.446 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037712605 712744601 /nfs/dbraw/zinc/74/46/01/712744601.db2.gz TZPRWKSRYZGRCE-MRVPVSSYSA-N 2 2 248.248 2.195 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000718862971 712786552 /nfs/dbraw/zinc/78/65/52/712786552.db2.gz XUAHPPDNKUNODO-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000718862971 712786553 /nfs/dbraw/zinc/78/65/53/712786553.db2.gz XUAHPPDNKUNODO-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028457 712799700 /nfs/dbraw/zinc/79/97/00/712799700.db2.gz TZXZXILTHBXYRE-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1C ZINC000719575790 712811603 /nfs/dbraw/zinc/81/16/03/712811603.db2.gz QNGKLEFJUUQIBT-QWRGUYRKSA-N 2 2 244.342 2.078 20 0 BEADLP C[C@H]1[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1C ZINC000719575790 712811604 /nfs/dbraw/zinc/81/16/04/712811604.db2.gz QNGKLEFJUUQIBT-QWRGUYRKSA-N 2 2 244.342 2.078 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000383938922 712831264 /nfs/dbraw/zinc/83/12/64/712831264.db2.gz GRMBTLCLYHKQKG-BFHYXJOUSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000038301989 712848543 /nfs/dbraw/zinc/84/85/43/712848543.db2.gz RKSJQMNRKQKFRA-YPMHNXCESA-N 2 2 204.317 2.089 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000721166063 712893764 /nfs/dbraw/zinc/89/37/64/712893764.db2.gz GAUDSIQNPAUVHC-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)CCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208736742 957155822 /nfs/dbraw/zinc/15/58/22/957155822.db2.gz NBIOKIUPBXFSTQ-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208736742 957155825 /nfs/dbraw/zinc/15/58/25/957155825.db2.gz NBIOKIUPBXFSTQ-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208736742 957155834 /nfs/dbraw/zinc/15/58/34/957155834.db2.gz NBIOKIUPBXFSTQ-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208736742 957155839 /nfs/dbraw/zinc/15/58/39/957155839.db2.gz NBIOKIUPBXFSTQ-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001164640129 719195527 /nfs/dbraw/zinc/19/55/27/719195527.db2.gz UPCRQFNMJXPARY-VXGBXAGGSA-N 2 2 249.358 2.009 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001164640129 719195530 /nfs/dbraw/zinc/19/55/30/719195530.db2.gz UPCRQFNMJXPARY-VXGBXAGGSA-N 2 2 249.358 2.009 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)s1 ZINC001210497105 957764722 /nfs/dbraw/zinc/76/47/22/957764722.db2.gz LCDWQENBIOXFJA-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)s1 ZINC001210497105 957764727 /nfs/dbraw/zinc/76/47/27/957764727.db2.gz LCDWQENBIOXFJA-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP CCOc1cc[nH+]c(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC001165039583 721890865 /nfs/dbraw/zinc/89/08/65/721890865.db2.gz OEFKPXVXXUWYBV-LBPRGKRZSA-N 2 2 249.358 2.011 20 0 BEADLP C[C@@H](CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC000697904768 964673512 /nfs/dbraw/zinc/67/35/12/964673512.db2.gz QMIQALWJUQLBKP-NSHDSACASA-N 2 2 224.323 2.256 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)sc1C ZINC001235990107 966209268 /nfs/dbraw/zinc/20/92/68/966209268.db2.gz LJTFIOBBFVEPRE-DGCLKSJQSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)sc1C ZINC001235990107 966209287 /nfs/dbraw/zinc/20/92/87/966209287.db2.gz LJTFIOBBFVEPRE-DGCLKSJQSA-N 2 2 236.384 2.288 20 0 BEADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCCCC1 ZINC000042371971 1165746201 /nfs/dbraw/zinc/74/62/01/1165746201.db2.gz MRZAKDYSLXUNAU-LBPRGKRZSA-N 2 2 210.365 2.393 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CCC2CCCCC2)CC12CC2 ZINC001204903762 967221889 /nfs/dbraw/zinc/22/18/89/967221889.db2.gz DAPRRKVIHNXRMQ-CYBMUJFWSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CCC2CCCCC2)CC12CC2 ZINC001204903762 967221901 /nfs/dbraw/zinc/22/19/01/967221901.db2.gz DAPRRKVIHNXRMQ-CYBMUJFWSA-N 2 2 222.376 2.380 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275041 968706806 /nfs/dbraw/zinc/70/68/06/968706806.db2.gz IVYORZSLCZGVCC-MNOVXSKESA-N 2 2 216.344 2.007 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275041 968706813 /nfs/dbraw/zinc/70/68/13/968706813.db2.gz IVYORZSLCZGVCC-MNOVXSKESA-N 2 2 216.344 2.007 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@H](F)C1 ZINC001207274526 968708563 /nfs/dbraw/zinc/70/85/63/968708563.db2.gz DJBRZNULYWBGGI-LBPRGKRZSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@H](F)C1 ZINC001207274526 968708571 /nfs/dbraw/zinc/70/85/71/968708571.db2.gz DJBRZNULYWBGGI-LBPRGKRZSA-N 2 2 230.371 2.398 20 0 BEADLP CSCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000228876171 1166226294 /nfs/dbraw/zinc/22/62/94/1166226294.db2.gz NODIFDIKRNCOQJ-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000228876171 1166226301 /nfs/dbraw/zinc/22/63/01/1166226301.db2.gz NODIFDIKRNCOQJ-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC000227678416 1166265688 /nfs/dbraw/zinc/26/56/88/1166265688.db2.gz QDQWYGRHTLSRDY-SWLSCSKDSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC000227678416 1166265695 /nfs/dbraw/zinc/26/56/95/1166265695.db2.gz QDQWYGRHTLSRDY-SWLSCSKDSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226018663 1166370893 /nfs/dbraw/zinc/37/08/93/1166370893.db2.gz LDJKXOFHZMKOGG-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226018663 1166370895 /nfs/dbraw/zinc/37/08/95/1166370895.db2.gz LDJKXOFHZMKOGG-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncs1 ZINC000309443052 1166639462 /nfs/dbraw/zinc/63/94/62/1166639462.db2.gz IZWMBQBQBCNEFA-LLVKDONJSA-N 2 2 241.404 2.353 20 0 BEADLP Cc1[nH+]cn([C@@H]2CC[C@H](C)C2)c1CC[NH3+] ZINC001170098046 970266827 /nfs/dbraw/zinc/26/68/27/970266827.db2.gz KHZPGXGWLRRPPM-GXSJLCMTSA-N 2 2 207.321 2.054 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC001170116691 970336605 /nfs/dbraw/zinc/33/66/05/970336605.db2.gz FUNNTVXJSYYRAQ-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC001170116691 970336618 /nfs/dbraw/zinc/33/66/18/970336618.db2.gz FUNNTVXJSYYRAQ-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001255644126 970417015 /nfs/dbraw/zinc/41/70/15/970417015.db2.gz LCEBVCGIHUNSTL-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001255644126 970417020 /nfs/dbraw/zinc/41/70/20/970417020.db2.gz LCEBVCGIHUNSTL-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC001170160199 970498636 /nfs/dbraw/zinc/49/86/36/970498636.db2.gz YFCKKLXJBSYVLN-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@H](C)C1 ZINC001170160199 970498643 /nfs/dbraw/zinc/49/86/43/970498643.db2.gz YFCKKLXJBSYVLN-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCCCC1=O ZINC001255948338 970562374 /nfs/dbraw/zinc/56/23/74/970562374.db2.gz JWYGIZMCIWPBEA-STQMWFEESA-N 2 2 240.391 2.208 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCCCC1=O ZINC001255948335 970584008 /nfs/dbraw/zinc/58/40/08/970584008.db2.gz JWYGIZMCIWPBEA-CHWSQXEVSA-N 2 2 240.391 2.208 20 0 BEADLP COc1ccccc1C[C@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405848943 1166889398 /nfs/dbraw/zinc/88/93/98/1166889398.db2.gz WNBOKJSNWYEFIM-WFASDCNBSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1C[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405848943 1166889403 /nfs/dbraw/zinc/88/94/03/1166889403.db2.gz WNBOKJSNWYEFIM-WFASDCNBSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000227078402 1166995013 /nfs/dbraw/zinc/99/50/13/1166995013.db2.gz KPYZFIAUQCJZJR-JQWIXIFHSA-N 2 2 248.374 2.082 20 0 BEADLP CCSC[C@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001173302085 975198517 /nfs/dbraw/zinc/19/85/17/975198517.db2.gz OHDYNUYKJBHNPQ-JTQLQIEISA-N 2 2 239.388 2.149 20 0 BEADLP CCSC[C@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001173302085 975198520 /nfs/dbraw/zinc/19/85/20/975198520.db2.gz OHDYNUYKJBHNPQ-JTQLQIEISA-N 2 2 239.388 2.149 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CCCC(C)C)C1 ZINC000251348235 1167136699 /nfs/dbraw/zinc/13/66/99/1167136699.db2.gz AYJXFSFFZWBAEM-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CCCC(C)C)C1 ZINC000251348235 1167136703 /nfs/dbraw/zinc/13/67/03/1167136703.db2.gz AYJXFSFFZWBAEM-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1C ZINC001204763960 1167185931 /nfs/dbraw/zinc/18/59/31/1167185931.db2.gz UODXYPHUEFMSER-HNNXBMFYSA-N 2 2 248.370 2.235 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)cc1C ZINC001204763960 1167185937 /nfs/dbraw/zinc/18/59/37/1167185937.db2.gz UODXYPHUEFMSER-HNNXBMFYSA-N 2 2 248.370 2.235 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000309014872 1167238180 /nfs/dbraw/zinc/23/81/80/1167238180.db2.gz UMKZWBIKXAESMA-OPRDCNLKSA-N 2 2 236.281 2.141 20 0 BEADLP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000309014872 1167238186 /nfs/dbraw/zinc/23/81/86/1167238186.db2.gz UMKZWBIKXAESMA-OPRDCNLKSA-N 2 2 236.281 2.141 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000309014869 1167238505 /nfs/dbraw/zinc/23/85/05/1167238505.db2.gz UMKZWBIKXAESMA-AEJSXWLSSA-N 2 2 236.281 2.141 20 0 BEADLP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000309014869 1167238514 /nfs/dbraw/zinc/23/85/14/1167238514.db2.gz UMKZWBIKXAESMA-AEJSXWLSSA-N 2 2 236.281 2.141 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000226296613 1167314185 /nfs/dbraw/zinc/31/41/85/1167314185.db2.gz IKSIHSGDLYJULR-OCCSQVGLSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000226296613 1167314189 /nfs/dbraw/zinc/31/41/89/1167314189.db2.gz IKSIHSGDLYJULR-OCCSQVGLSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385290171 1167388750 /nfs/dbraw/zinc/38/87/50/1167388750.db2.gz IDIPGGSHXHOIOH-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1cc(F)ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000385290171 1167388755 /nfs/dbraw/zinc/38/87/55/1167388755.db2.gz IDIPGGSHXHOIOH-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1cc[nH+]c(C)c1NC1=CCC[N@@H+](C)C1 ZINC001175575245 977568380 /nfs/dbraw/zinc/56/83/80/977568380.db2.gz PWMLDDXLSNVBLY-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1cc[nH+]c(C)c1NC1=CCC[N@H+](C)C1 ZINC001175575245 977568389 /nfs/dbraw/zinc/56/83/89/977568389.db2.gz PWMLDDXLSNVBLY-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1cc(C)c(NC2=CCC[N@H+](C)C2)c[nH+]1 ZINC001175574966 977573748 /nfs/dbraw/zinc/57/37/48/977573748.db2.gz HNKWNHOJKWCHOH-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP C[C@H](CC[NH2+][C@H](C)c1ccccn1)[NH+](C)C ZINC000697886215 1167554519 /nfs/dbraw/zinc/55/45/19/1167554519.db2.gz HFIWYFNOJLTHTC-VXGBXAGGSA-N 2 2 221.348 2.072 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000328141033 978169125 /nfs/dbraw/zinc/16/91/25/978169125.db2.gz BAXWYAAPVSDATH-JTQLQIEISA-N 2 2 238.297 2.403 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000328141033 978169130 /nfs/dbraw/zinc/16/91/30/978169130.db2.gz BAXWYAAPVSDATH-JTQLQIEISA-N 2 2 238.297 2.403 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)CC1 ZINC001205101506 1167756766 /nfs/dbraw/zinc/75/67/66/1167756766.db2.gz HKCHTNCROOSQJN-SNVBAGLBSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)CC1 ZINC001205101506 1167756767 /nfs/dbraw/zinc/75/67/67/1167756767.db2.gz HKCHTNCROOSQJN-SNVBAGLBSA-N 2 2 239.750 2.048 20 0 BEADLP C(CC1CCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037972 978957937 /nfs/dbraw/zinc/95/79/37/978957937.db2.gz KKARWKZALBCHLU-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CCCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235037972 978957941 /nfs/dbraw/zinc/95/79/41/978957941.db2.gz KKARWKZALBCHLU-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000693891263 1168371227 /nfs/dbraw/zinc/37/12/27/1168371227.db2.gz RKGRTWBYNNDGTM-CHWSQXEVSA-N 2 2 238.375 2.142 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000693891263 1168371232 /nfs/dbraw/zinc/37/12/32/1168371232.db2.gz RKGRTWBYNNDGTM-CHWSQXEVSA-N 2 2 238.375 2.142 20 0 BEADLP C[C@@H](CC1CC1)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931129 1168543303 /nfs/dbraw/zinc/54/33/03/1168543303.db2.gz CCYFVBBULYPYHJ-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](CC1CC1)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931129 1168543308 /nfs/dbraw/zinc/54/33/08/1168543308.db2.gz CCYFVBBULYPYHJ-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](CC1CC1)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086931129 1168543313 /nfs/dbraw/zinc/54/33/13/1168543313.db2.gz CCYFVBBULYPYHJ-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](CC1CC1)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000086931129 1168543318 /nfs/dbraw/zinc/54/33/18/1168543318.db2.gz CCYFVBBULYPYHJ-GXTWGEPZSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]([NH3+])c1cccc(-c2c[nH+]cn2C)c1 ZINC000258015051 1168613016 /nfs/dbraw/zinc/61/30/16/1168613016.db2.gz HNRZDARFSNIJAU-VIFPVBQESA-N 2 2 201.273 2.107 20 0 BEADLP CCCC[C@@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651394 1168657853 /nfs/dbraw/zinc/65/78/53/1168657853.db2.gz DDGAPVFOVYRBJT-YNEHKIRRSA-N 2 2 210.365 2.378 20 0 BEADLP CCCC[C@@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651394 1168657856 /nfs/dbraw/zinc/65/78/56/1168657856.db2.gz DDGAPVFOVYRBJT-YNEHKIRRSA-N 2 2 210.365 2.378 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717049512 1168912278 /nfs/dbraw/zinc/91/22/78/1168912278.db2.gz SPGNXSNNJTUBRG-AEJSXWLSSA-N 2 2 238.297 2.244 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717049512 1168912285 /nfs/dbraw/zinc/91/22/85/1168912285.db2.gz SPGNXSNNJTUBRG-AEJSXWLSSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H]([NH3+])c1ccccc1-c1c[nH+]cn1C ZINC000258204950 1168941153 /nfs/dbraw/zinc/94/11/53/1168941153.db2.gz XCBHIPRBMHVPKX-VIFPVBQESA-N 2 2 201.273 2.107 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000257733437 1168974914 /nfs/dbraw/zinc/97/49/14/1168974914.db2.gz XMQZZTPBTFKDFC-OAHLLOKOSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ccncc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000257733437 1168974924 /nfs/dbraw/zinc/97/49/24/1168974924.db2.gz XMQZZTPBTFKDFC-OAHLLOKOSA-N 2 2 245.370 2.108 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001172432299 974715133 /nfs/dbraw/zinc/71/51/33/974715133.db2.gz XVGAVGRUPKWVMZ-CYBMUJFWSA-N 2 2 239.363 2.066 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC001172432208 974716999 /nfs/dbraw/zinc/71/69/99/974716999.db2.gz WVHARACWGXNOIV-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]CC[NH+]1CCCC1 ZINC001172383011 974724309 /nfs/dbraw/zinc/72/43/09/974724309.db2.gz JETFLTZNIUYZTP-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172454732 974819823 /nfs/dbraw/zinc/81/98/23/974819823.db2.gz BSTOZOMZIZDUOQ-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172454732 974819826 /nfs/dbraw/zinc/81/98/26/974819826.db2.gz BSTOZOMZIZDUOQ-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001172457302 974822070 /nfs/dbraw/zinc/82/20/70/974822070.db2.gz ODCREQDQZNUJBE-GFCCVEGCSA-N 2 2 239.363 2.008 20 0 BEADLP CCCc1cc(N2CCC[C@H]([NH3+])[C@H]2C)nc(C)[nH+]1 ZINC001157749095 970782731 /nfs/dbraw/zinc/78/27/31/970782731.db2.gz YSLKTDMMFLZZKN-MFKMUULPSA-N 2 2 248.374 2.054 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001256396755 970803888 /nfs/dbraw/zinc/80/38/88/970803888.db2.gz JZNUKIWYCGNQLD-KBPBESRZSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1ccc([C@@H](C)CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC001206053158 970814758 /nfs/dbraw/zinc/81/47/58/970814758.db2.gz MHVPASNPARGXEO-DMDPSCGWSA-N 2 2 236.359 2.361 20 0 BEADLP Cc1ccc([C@@H](C)CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)o1 ZINC001206053158 970814764 /nfs/dbraw/zinc/81/47/64/970814764.db2.gz MHVPASNPARGXEO-DMDPSCGWSA-N 2 2 236.359 2.361 20 0 BEADLP CC(C)[N@H+](Cc1cccnc1)C1CC[NH+](C)CC1 ZINC001204078208 1169472477 /nfs/dbraw/zinc/47/24/77/1169472477.db2.gz RPJCPNITNUUPAK-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC(C)[N@@H+](Cc1cccnc1)C1CC[NH+](C)CC1 ZINC001204078208 1169472481 /nfs/dbraw/zinc/47/24/81/1169472481.db2.gz RPJCPNITNUUPAK-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC001206058590 970921349 /nfs/dbraw/zinc/92/13/49/970921349.db2.gz HWDLWNKABJDQAP-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1 ZINC001206058590 970921352 /nfs/dbraw/zinc/92/13/52/970921352.db2.gz HWDLWNKABJDQAP-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP C[C@@H](Cc1ccncc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256734568 970958956 /nfs/dbraw/zinc/95/89/56/970958956.db2.gz ZDSJNEOOAKPRKN-ZDUSSCGKSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@@H](Cc1ccncc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256734568 970958962 /nfs/dbraw/zinc/95/89/62/970958962.db2.gz ZDSJNEOOAKPRKN-ZDUSSCGKSA-N 2 2 247.386 2.039 20 0 BEADLP Cc1cccc(CC[NH+]2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001276738552 971029555 /nfs/dbraw/zinc/02/95/55/971029555.db2.gz GXLJDTLINUZXGP-UHFFFAOYSA-N 2 2 244.382 2.175 20 0 BEADLP Cc1cccc(CC[NH+]2CC3(C2)CC[N@H+](C)C3)c1 ZINC001276738552 971029569 /nfs/dbraw/zinc/02/95/69/971029569.db2.gz GXLJDTLINUZXGP-UHFFFAOYSA-N 2 2 244.382 2.175 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001257215167 971133966 /nfs/dbraw/zinc/13/39/66/971133966.db2.gz UCMXFFQONGPIAO-YPMHNXCESA-N 2 2 228.355 2.149 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001257215167 971133973 /nfs/dbraw/zinc/13/39/73/971133973.db2.gz UCMXFFQONGPIAO-YPMHNXCESA-N 2 2 228.355 2.149 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001257310349 971201426 /nfs/dbraw/zinc/20/14/26/971201426.db2.gz BPXTYZWGNLFNOP-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001257310349 971201435 /nfs/dbraw/zinc/20/14/35/971201435.db2.gz BPXTYZWGNLFNOP-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715001541 974016240 /nfs/dbraw/zinc/01/62/40/974016240.db2.gz YZLPONSUFXCPPN-UWVGGRQHSA-N 2 2 249.185 2.379 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715001541 974016258 /nfs/dbraw/zinc/01/62/58/974016258.db2.gz YZLPONSUFXCPPN-UWVGGRQHSA-N 2 2 249.185 2.379 20 0 BEADLP CCCC(CCC)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001257335260 971242307 /nfs/dbraw/zinc/24/23/07/971242307.db2.gz QNDLKUKJMMPGJG-CQSZACIVSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC(CCC)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001257335260 971242318 /nfs/dbraw/zinc/24/23/18/971242318.db2.gz QNDLKUKJMMPGJG-CQSZACIVSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000405890623 971320394 /nfs/dbraw/zinc/32/03/94/971320394.db2.gz OIGHJQWBFHLGOF-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000405890623 971320399 /nfs/dbraw/zinc/32/03/99/971320399.db2.gz OIGHJQWBFHLGOF-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C1CCCCC1)C2 ZINC001257455575 971378387 /nfs/dbraw/zinc/37/83/87/971378387.db2.gz IVXRXKPOFVJNGH-UHFFFAOYSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCCCC1)C2 ZINC001257455575 971378395 /nfs/dbraw/zinc/37/83/95/971378395.db2.gz IVXRXKPOFVJNGH-UHFFFAOYSA-N 2 2 219.332 2.340 20 0 BEADLP CC(=O)C(C)(C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258001627 971554949 /nfs/dbraw/zinc/55/49/49/971554949.db2.gz XLPLYNBNXQQEFS-UHFFFAOYSA-N 2 2 240.391 2.064 20 0 BEADLP CC(C)C[NH+]1CCC([NH+]2CC(C(F)F)C2)CC1 ZINC001258020211 971558413 /nfs/dbraw/zinc/55/84/13/971558413.db2.gz PYSGZKARTZFOTI-UHFFFAOYSA-N 2 2 246.345 2.304 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170709854 971613205 /nfs/dbraw/zinc/61/32/05/971613205.db2.gz CWSZDTRJGZSSJQ-XYYAHUGASA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001172315871 974522033 /nfs/dbraw/zinc/52/20/33/974522033.db2.gz LQDOSHUHNVIUGQ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001172315868 974522159 /nfs/dbraw/zinc/52/21/59/974522159.db2.gz LQDOSHUHNVIUGQ-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC001172322855 974532430 /nfs/dbraw/zinc/53/24/30/974532430.db2.gz ZCQVBXCFKATITO-AGIUHOORSA-N 2 2 230.396 2.120 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC(C)(C)C1 ZINC001246090343 972143047 /nfs/dbraw/zinc/14/30/47/972143047.db2.gz DZKHXAGSQVNJMS-CYDGBPFRSA-N 2 2 242.382 2.491 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001170959408 972164848 /nfs/dbraw/zinc/16/48/48/972164848.db2.gz YLIUIGVTEBSWDP-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001170959408 972164849 /nfs/dbraw/zinc/16/48/49/972164849.db2.gz YLIUIGVTEBSWDP-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP CC(C)CCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208736739 957153404 /nfs/dbraw/zinc/15/34/04/957153404.db2.gz NBIOKIUPBXFSTQ-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208736739 957153408 /nfs/dbraw/zinc/15/34/08/957153408.db2.gz NBIOKIUPBXFSTQ-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001208736739 957153416 /nfs/dbraw/zinc/15/34/16/957153416.db2.gz NBIOKIUPBXFSTQ-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001208736739 957153424 /nfs/dbraw/zinc/15/34/24/957153424.db2.gz NBIOKIUPBXFSTQ-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CCCCC[C@H](CC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246288653 972260024 /nfs/dbraw/zinc/26/00/24/972260024.db2.gz BPWOSZXEFHUYBV-MELADBBJSA-N 2 2 242.407 2.312 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC001209424655 957438436 /nfs/dbraw/zinc/43/84/36/957438436.db2.gz ATZSDPCQQQWQSJ-IACUBPJLSA-N 2 2 246.354 2.499 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC001209424655 957438439 /nfs/dbraw/zinc/43/84/39/957438439.db2.gz ATZSDPCQQQWQSJ-IACUBPJLSA-N 2 2 246.354 2.499 20 0 BEADLP Cc1cc(N)[nH+]cc1Nc1c[nH+]c2ccccn12 ZINC001209967166 957588413 /nfs/dbraw/zinc/58/84/13/957588413.db2.gz ILTMRSBKJADPJG-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399226117 958573720 /nfs/dbraw/zinc/57/37/20/958573720.db2.gz NBJXGHVBJFJNMS-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(NCc2cc[nH+]c(N)c2)[nH+]1 ZINC001167614594 959067146 /nfs/dbraw/zinc/06/71/46/959067146.db2.gz TXPHAFIGAVLLQT-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000692622679 960339844 /nfs/dbraw/zinc/33/98/44/960339844.db2.gz MNRGCPRRQOZZMC-XSCHDIRWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000692622679 960339852 /nfs/dbraw/zinc/33/98/52/960339852.db2.gz MNRGCPRRQOZZMC-XSCHDIRWSA-N 2 2 236.403 2.497 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695775177 960449217 /nfs/dbraw/zinc/44/92/17/960449217.db2.gz YARFZGOPQHEJBW-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695775177 960449221 /nfs/dbraw/zinc/44/92/21/960449221.db2.gz YARFZGOPQHEJBW-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[NH+](CC)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140707589 960521831 /nfs/dbraw/zinc/52/18/31/960521831.db2.gz TWMHNFMPIPERSH-UHFFFAOYSA-N 2 2 235.375 2.321 20 0 BEADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001140802235 960584962 /nfs/dbraw/zinc/58/49/62/960584962.db2.gz RNPRABKEWYUYAM-AOOOYVTPSA-N 2 2 213.284 2.015 20 0 BEADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001140802235 960584974 /nfs/dbraw/zinc/58/49/74/960584974.db2.gz RNPRABKEWYUYAM-AOOOYVTPSA-N 2 2 213.284 2.015 20 0 BEADLP FC[C@H]1[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140804781 960585653 /nfs/dbraw/zinc/58/56/53/960585653.db2.gz DXPDEJSQMPCRJA-UOJUARBOSA-N 2 2 245.301 2.210 20 0 BEADLP FC[C@H]1[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]12 ZINC001140804781 960585662 /nfs/dbraw/zinc/58/56/62/960585662.db2.gz DXPDEJSQMPCRJA-UOJUARBOSA-N 2 2 245.301 2.210 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1F ZINC001140802210 960590218 /nfs/dbraw/zinc/59/02/18/960590218.db2.gz QUOYEVOAFAVYTD-SKDRFNHKSA-N 2 2 233.290 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1F ZINC001140802210 960590226 /nfs/dbraw/zinc/59/02/26/960590226.db2.gz QUOYEVOAFAVYTD-SKDRFNHKSA-N 2 2 233.290 2.353 20 0 BEADLP COC[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802132 960590752 /nfs/dbraw/zinc/59/07/52/960590752.db2.gz OCNJMGWQNDBUGQ-NSHDSACASA-N 2 2 245.326 2.031 20 0 BEADLP COC[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802132 960590761 /nfs/dbraw/zinc/59/07/61/960590761.db2.gz OCNJMGWQNDBUGQ-NSHDSACASA-N 2 2 245.326 2.031 20 0 BEADLP F[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802603 960592461 /nfs/dbraw/zinc/59/24/61/960592461.db2.gz AKOLKJFEBAWJPW-LLVKDONJSA-N 2 2 233.290 2.497 20 0 BEADLP F[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802603 960592478 /nfs/dbraw/zinc/59/24/78/960592478.db2.gz AKOLKJFEBAWJPW-LLVKDONJSA-N 2 2 233.290 2.497 20 0 BEADLP C[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802357 960594741 /nfs/dbraw/zinc/59/47/41/960594741.db2.gz STOGSWBCKSVKPI-JTQLQIEISA-N 2 2 215.300 2.405 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802357 960594750 /nfs/dbraw/zinc/59/47/50/960594750.db2.gz STOGSWBCKSVKPI-JTQLQIEISA-N 2 2 215.300 2.405 20 0 BEADLP FC(F)C1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806858 960605416 /nfs/dbraw/zinc/60/54/16/960605416.db2.gz UXJSJCMLNVBPJT-UHFFFAOYSA-N 2 2 237.253 2.260 20 0 BEADLP Cc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)cc(C(C)C)[nH+]1 ZINC000709843886 961710334 /nfs/dbraw/zinc/71/03/34/961710334.db2.gz XKGFVERTKKYOOJ-JQWIXIFHSA-N 2 2 248.374 2.224 20 0 BEADLP c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c[nH]1 ZINC000092648749 961724352 /nfs/dbraw/zinc/72/43/52/961724352.db2.gz PYIYMUXIDQGCDD-UHFFFAOYSA-N 2 2 230.315 2.048 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167904699 961726767 /nfs/dbraw/zinc/72/67/67/961726767.db2.gz KJXTYYKOHMIUFO-BYNSBNAKSA-N 2 2 236.403 2.495 20 0 BEADLP CO[C@H](C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924908949 962295609 /nfs/dbraw/zinc/29/56/09/962295609.db2.gz JMXZSZPIDZXBNO-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H](C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924908949 962295630 /nfs/dbraw/zinc/29/56/30/962295630.db2.gz JMXZSZPIDZXBNO-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001155188570 963019201 /nfs/dbraw/zinc/01/92/01/963019201.db2.gz OFWBQMFZIULUEY-GHMZBOCLSA-N 2 2 248.374 2.245 20 0 BEADLP Cc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c(C)c(C)[nH+]1 ZINC001155410912 963069244 /nfs/dbraw/zinc/06/92/44/963069244.db2.gz QCNIEPQOVUQKOF-GXTWGEPZSA-N 2 2 246.358 2.098 20 0 BEADLP Cc1ccc(NCc2cc[nH+]c(N)c2)[nH+]c1C ZINC001156757625 963454242 /nfs/dbraw/zinc/45/42/42/963454242.db2.gz ZKOZOEGVVFVSOJ-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP Cc1c[nH+]c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1C ZINC001157280996 963565848 /nfs/dbraw/zinc/56/58/48/963565848.db2.gz CUMWNOFGMZMOSN-ZIAGYGMSSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1c[nH+]c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1C ZINC001157280996 963565860 /nfs/dbraw/zinc/56/58/60/963565860.db2.gz CUMWNOFGMZMOSN-ZIAGYGMSSA-N 2 2 245.370 2.229 20 0 BEADLP CCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168137031 963833230 /nfs/dbraw/zinc/83/32/30/963833230.db2.gz MMGCUBALSFZAJT-CYBMUJFWSA-N 2 2 233.359 2.042 20 0 BEADLP CCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168137031 963833236 /nfs/dbraw/zinc/83/32/36/963833236.db2.gz MMGCUBALSFZAJT-CYBMUJFWSA-N 2 2 233.359 2.042 20 0 BEADLP Cn1c[nH+]c2ccc(NC3(C)CC[NH2+]CC3)cc21 ZINC001168186535 963942757 /nfs/dbraw/zinc/94/27/57/963942757.db2.gz BTESQYUUDWBYAI-UHFFFAOYSA-N 2 2 244.342 2.127 20 0 BEADLP C[NH+]1CC(CNc2cc3ccccc3c[nH+]2)C1 ZINC001159218866 964021037 /nfs/dbraw/zinc/02/10/37/964021037.db2.gz RLJIUKKBQCIXCY-UHFFFAOYSA-N 2 2 227.311 2.208 20 0 BEADLP Nc1ccc(Nc2ccc3c(c2)C[NH2+]C3)c[nH+]1 ZINC001159282335 964047317 /nfs/dbraw/zinc/04/73/17/964047317.db2.gz STPVJSWNLNHJSY-UHFFFAOYSA-N 2 2 226.283 2.011 20 0 BEADLP Cc1cc2[nH+]s[nH]c-2cc1=NC1=CCC[NH2+]C1 ZINC001159933337 964228753 /nfs/dbraw/zinc/22/87/53/964228753.db2.gz WMYCEZWDMZMEGY-UHFFFAOYSA-N 2 2 246.339 2.289 20 0 BEADLP Cc1cc(Nc2cccc3[nH+]c[nH]c32)cc[nH+]1 ZINC001213026060 964404974 /nfs/dbraw/zinc/40/49/74/964404974.db2.gz GQSPJHMFTWAGGK-UHFFFAOYSA-N 2 2 224.267 2.432 20 0 BEADLP CCc1cccc(NCCCn2cc[nH+]c2)[nH+]1 ZINC001161688460 964687314 /nfs/dbraw/zinc/68/73/14/964687314.db2.gz SMDVAIDPDUSQQT-UHFFFAOYSA-N 2 2 230.315 2.343 20 0 BEADLP Cc1nc(NC2C[NH+](C(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC001162226383 964882846 /nfs/dbraw/zinc/88/28/46/964882846.db2.gz QSLZWWGCDWNTNQ-UHFFFAOYSA-N 2 2 248.374 2.296 20 0 BEADLP Cn1c[nH+]c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)cc21 ZINC001162396560 964954818 /nfs/dbraw/zinc/95/48/18/964954818.db2.gz LIVVCCAYZPKUPC-QWRGUYRKSA-N 2 2 244.342 2.255 20 0 BEADLP C[C@@H]1C[NH2+]CCC[C@@H]1C[NH2+]c1ccc(O)cc1 ZINC001162465505 964983643 /nfs/dbraw/zinc/98/36/43/964983643.db2.gz HTQJGONQJXFLIR-VXGBXAGGSA-N 2 2 234.343 2.440 20 0 BEADLP COc1cc[nH+]cc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162457262 964983865 /nfs/dbraw/zinc/98/38/65/964983865.db2.gz NJZXEAXLSJAWGR-NWDGAFQWSA-N 2 2 249.358 2.138 20 0 BEADLP COc1cc[nH+]cc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162457260 964985541 /nfs/dbraw/zinc/98/55/41/964985541.db2.gz NJZXEAXLSJAWGR-NEPJUHHUSA-N 2 2 249.358 2.138 20 0 BEADLP Nc1ccc[nH+]c1Nc1ccc(C[NH3+])c(F)c1 ZINC001162522678 965024331 /nfs/dbraw/zinc/02/43/31/965024331.db2.gz KTVKAVOUWJBTRR-UHFFFAOYSA-N 2 2 232.262 2.005 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](Nc2ccc(N)c[nH+]2)[C@@H](C)C1 ZINC001163360098 965360298 /nfs/dbraw/zinc/36/02/98/965360298.db2.gz BSRADBRQKCKZLW-AAEUAGOBSA-N 2 2 248.374 2.195 20 0 BEADLP CC(C)[N@H+]1CC[C@H](Nc2ccc(N)c[nH+]2)[C@@H](C)C1 ZINC001163360098 965360306 /nfs/dbraw/zinc/36/03/06/965360306.db2.gz BSRADBRQKCKZLW-AAEUAGOBSA-N 2 2 248.374 2.195 20 0 BEADLP Cc1c[nH+]c(N[C@H](C)C[NH+](C)C)c2[nH]ccc21 ZINC001163773299 965576553 /nfs/dbraw/zinc/57/65/53/965576553.db2.gz SZVKQNXXYVPYJX-SNVBAGLBSA-N 2 2 232.331 2.233 20 0 BEADLP Cc1c[nH+]c(N[C@@H](C)C[NH+](C)C)c2[nH]ccc21 ZINC001163773298 965579593 /nfs/dbraw/zinc/57/95/93/965579593.db2.gz SZVKQNXXYVPYJX-JTQLQIEISA-N 2 2 232.331 2.233 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001205094832 965731677 /nfs/dbraw/zinc/73/16/77/965731677.db2.gz QXRJRHJEIRXYBN-NSHDSACASA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001205094832 965731688 /nfs/dbraw/zinc/73/16/88/965731688.db2.gz QXRJRHJEIRXYBN-NSHDSACASA-N 2 2 240.297 2.278 20 0 BEADLP COc1cc[nH+]cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279667 966024276 /nfs/dbraw/zinc/02/42/76/966024276.db2.gz XOBNBIBFCHVKGN-LBPRGKRZSA-N 2 2 249.358 2.234 20 0 BEADLP COc1cc[nH+]cc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165279667 966024279 /nfs/dbraw/zinc/02/42/79/966024279.db2.gz XOBNBIBFCHVKGN-LBPRGKRZSA-N 2 2 249.358 2.234 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235986357 966204943 /nfs/dbraw/zinc/20/49/43/966204943.db2.gz CQIBNYZMSYUSAT-GXTWGEPZSA-N 2 2 248.395 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235986357 966204961 /nfs/dbraw/zinc/20/49/61/966204961.db2.gz CQIBNYZMSYUSAT-GXTWGEPZSA-N 2 2 248.395 2.332 20 0 BEADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@H]([NH3+])C2)o1 ZINC001236169577 966285955 /nfs/dbraw/zinc/28/59/55/966285955.db2.gz LDKNVWWAUOOSST-JQWIXIFHSA-N 2 2 222.332 2.115 20 0 BEADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@H]([NH3+])C2)o1 ZINC001236169577 966285977 /nfs/dbraw/zinc/28/59/77/966285977.db2.gz LDKNVWWAUOOSST-JQWIXIFHSA-N 2 2 222.332 2.115 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC001236246953 966315458 /nfs/dbraw/zinc/31/54/58/966315458.db2.gz MXFYRXXJOVFMFL-CYBMUJFWSA-N 2 2 248.370 2.235 20 0 BEADLP COc1cc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC001236246953 966315468 /nfs/dbraw/zinc/31/54/68/966315468.db2.gz MXFYRXXJOVFMFL-CYBMUJFWSA-N 2 2 248.370 2.235 20 0 BEADLP CC(C)c1ccc(N(C)C[C@@H]2CC[NH2+]C2)[nH+]c1 ZINC001166955928 966479535 /nfs/dbraw/zinc/47/95/35/966479535.db2.gz MCACPOMFRPTAQX-GFCCVEGCSA-N 2 2 233.359 2.251 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccccc12 ZINC001236865783 966603084 /nfs/dbraw/zinc/60/30/84/966603084.db2.gz PMIVPLJPNMXGFF-LBPRGKRZSA-N 2 2 231.343 2.337 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccccc12 ZINC001236865783 966603096 /nfs/dbraw/zinc/60/30/96/966603096.db2.gz PMIVPLJPNMXGFF-LBPRGKRZSA-N 2 2 231.343 2.337 20 0 BEADLP c1csc(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001204017737 966855382 /nfs/dbraw/zinc/85/53/82/966855382.db2.gz YOUXPQDYVWPPLR-UHFFFAOYSA-N 2 2 236.384 2.418 20 0 BEADLP C[NH+](C)Cc1ccccc1-c1ccc[nH+]c1N ZINC001239681204 967070311 /nfs/dbraw/zinc/07/03/11/967070311.db2.gz CYFKZWLXIZZZMS-UHFFFAOYSA-N 2 2 227.311 2.392 20 0 BEADLP CC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204611194 967103249 /nfs/dbraw/zinc/10/32/49/967103249.db2.gz DEXUJXCOELSZCP-AWEZNQCLSA-N 2 2 248.370 2.233 20 0 BEADLP CC[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204611194 967103256 /nfs/dbraw/zinc/10/32/56/967103256.db2.gz DEXUJXCOELSZCP-AWEZNQCLSA-N 2 2 248.370 2.233 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204790116 967169899 /nfs/dbraw/zinc/16/98/99/967169899.db2.gz GYFCLKMQAWQCEI-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204790116 967169904 /nfs/dbraw/zinc/16/99/04/967169904.db2.gz GYFCLKMQAWQCEI-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CCCCc2ccccc2)CC12CC2 ZINC001204903955 967221547 /nfs/dbraw/zinc/22/15/47/967221547.db2.gz HOXOPZWDTSOPMN-OAHLLOKOSA-N 2 2 244.382 2.432 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CCCCc2ccccc2)CC12CC2 ZINC001204903955 967221553 /nfs/dbraw/zinc/22/15/53/967221553.db2.gz HOXOPZWDTSOPMN-OAHLLOKOSA-N 2 2 244.382 2.432 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c(C)c1 ZINC001204904837 967227229 /nfs/dbraw/zinc/22/72/29/967227229.db2.gz ZUZNBFNJVDJLSF-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c(C)c1 ZINC001204904837 967227235 /nfs/dbraw/zinc/22/72/35/967227235.db2.gz ZUZNBFNJVDJLSF-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP CCc1cc(Nc2ccn3cc[nH+]c3c2)cc[nH+]1 ZINC001204965326 967266775 /nfs/dbraw/zinc/26/67/75/967266775.db2.gz AHWYQCMCFYMZAD-UHFFFAOYSA-N 2 2 238.294 2.457 20 0 BEADLP COc1cc(C)cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205075317 967325062 /nfs/dbraw/zinc/32/50/62/967325062.db2.gz HYLCIATXMJEAQA-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP COc1cc(C)cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205075317 967325073 /nfs/dbraw/zinc/32/50/73/967325073.db2.gz HYLCIATXMJEAQA-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cc(F)cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205075278 967328439 /nfs/dbraw/zinc/32/84/39/967328439.db2.gz GPSLNLNWPWBMAO-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1cc(F)cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205075278 967328447 /nfs/dbraw/zinc/32/84/47/967328447.db2.gz GPSLNLNWPWBMAO-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)CC1 ZINC001205102447 967347989 /nfs/dbraw/zinc/34/79/89/967347989.db2.gz SHSBCUDAQXLIKH-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)CC1 ZINC001205102447 967347998 /nfs/dbraw/zinc/34/79/98/967347998.db2.gz SHSBCUDAQXLIKH-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001205101179 967348858 /nfs/dbraw/zinc/34/88/58/967348858.db2.gz AVMOPDLGVLBMEU-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001205101179 967348861 /nfs/dbraw/zinc/34/88/61/967348861.db2.gz AVMOPDLGVLBMEU-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC001205117926 967362855 /nfs/dbraw/zinc/36/28/55/967362855.db2.gz ZALISCKVUARKGY-VIFPVBQESA-N 2 2 228.723 2.246 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC001205117926 967362861 /nfs/dbraw/zinc/36/28/61/967362861.db2.gz ZALISCKVUARKGY-VIFPVBQESA-N 2 2 228.723 2.246 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205177239 967413026 /nfs/dbraw/zinc/41/30/26/967413026.db2.gz DVVCVTPPIQJSLN-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001205177239 967413033 /nfs/dbraw/zinc/41/30/33/967413033.db2.gz DVVCVTPPIQJSLN-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP COc1ccc(C[NH2+]C2CC([NH+](C)C)C2)c(C)c1 ZINC000922214719 967606125 /nfs/dbraw/zinc/60/61/25/967606125.db2.gz RIFXSWJXUOSLHD-UHFFFAOYSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccsc2)C1 ZINC001205806657 967828641 /nfs/dbraw/zinc/82/86/41/967828641.db2.gz VDQDJFJEYQOZRT-CMPLNLGQSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccsc2)C1 ZINC001205806657 967828643 /nfs/dbraw/zinc/82/86/43/967828643.db2.gz VDQDJFJEYQOZRT-CMPLNLGQSA-N 2 2 224.373 2.307 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c21 ZINC001206058912 968028763 /nfs/dbraw/zinc/02/87/63/968028763.db2.gz YGEMQHUIHFEQLB-DGCLKSJQSA-N 2 2 243.354 2.255 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c21 ZINC001206058912 968028781 /nfs/dbraw/zinc/02/87/81/968028781.db2.gz YGEMQHUIHFEQLB-DGCLKSJQSA-N 2 2 243.354 2.255 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2cccs2)C1 ZINC001206344979 968234553 /nfs/dbraw/zinc/23/45/53/968234553.db2.gz YTCCEAGBASIOKJ-LBPRGKRZSA-N 2 2 242.363 2.401 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cccs2)C1 ZINC001206344979 968234556 /nfs/dbraw/zinc/23/45/56/968234556.db2.gz YTCCEAGBASIOKJ-LBPRGKRZSA-N 2 2 242.363 2.401 20 0 BEADLP CCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337735 968243765 /nfs/dbraw/zinc/24/37/65/968243765.db2.gz WAJOCWIKTYEPSR-LBPRGKRZSA-N 2 2 216.344 2.330 20 0 BEADLP CCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337735 968243774 /nfs/dbraw/zinc/24/37/74/968243774.db2.gz WAJOCWIKTYEPSR-LBPRGKRZSA-N 2 2 216.344 2.330 20 0 BEADLP CC(C)CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337938 968244947 /nfs/dbraw/zinc/24/49/47/968244947.db2.gz XAVJWUXFGMKVRF-LBPRGKRZSA-N 2 2 216.344 2.185 20 0 BEADLP CC(C)CC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337938 968244956 /nfs/dbraw/zinc/24/49/56/968244956.db2.gz XAVJWUXFGMKVRF-LBPRGKRZSA-N 2 2 216.344 2.185 20 0 BEADLP CSc1ccccc1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206729345 968443996 /nfs/dbraw/zinc/44/39/96/968443996.db2.gz CSIVZCUYIUURIN-UHFFFAOYSA-N 2 2 236.384 2.189 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)n1C ZINC001206793246 968475944 /nfs/dbraw/zinc/47/59/44/968475944.db2.gz TZVKVIZXYKBWCR-QWHCGFSZSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)n1C ZINC001206793246 968475948 /nfs/dbraw/zinc/47/59/48/968475948.db2.gz TZVKVIZXYKBWCR-QWHCGFSZSA-N 2 2 233.359 2.351 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164453646 968516839 /nfs/dbraw/zinc/51/68/39/968516839.db2.gz PPBYPKCYUIOCBT-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164453646 968516844 /nfs/dbraw/zinc/51/68/44/968516844.db2.gz PPBYPKCYUIOCBT-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](Cc1ccccn1)CC(C)(C)C[NH+](C)C ZINC001207282277 968712212 /nfs/dbraw/zinc/71/22/12/968712212.db2.gz GDDWGQIGBCLEJG-UHFFFAOYSA-N 2 2 249.402 2.491 20 0 BEADLP CC[N@@H+](Cc1ccccn1)CC(C)(C)C[NH+](C)C ZINC001207282277 968712213 /nfs/dbraw/zinc/71/22/13/968712213.db2.gz GDDWGQIGBCLEJG-UHFFFAOYSA-N 2 2 249.402 2.491 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207620852 968840846 /nfs/dbraw/zinc/84/08/46/968840846.db2.gz WXJSVXNQYGFFNL-BFHYXJOUSA-N 2 2 243.354 2.219 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207620852 968840850 /nfs/dbraw/zinc/84/08/50/968840850.db2.gz WXJSVXNQYGFFNL-BFHYXJOUSA-N 2 2 243.354 2.219 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207620878 968841763 /nfs/dbraw/zinc/84/17/63/968841763.db2.gz WXJSVXNQYGFFNL-MJBXVCDLSA-N 2 2 243.354 2.219 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207620878 968841767 /nfs/dbraw/zinc/84/17/67/968841767.db2.gz WXJSVXNQYGFFNL-MJBXVCDLSA-N 2 2 243.354 2.219 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000766245639 968867461 /nfs/dbraw/zinc/86/74/61/968867461.db2.gz BYVPKIRVHZAYCR-UHFFFAOYSA-N 2 2 233.359 2.458 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC2(CCCC2)C1 ZINC000766245639 968867465 /nfs/dbraw/zinc/86/74/65/968867465.db2.gz BYVPKIRVHZAYCR-UHFFFAOYSA-N 2 2 233.359 2.458 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763486 968869524 /nfs/dbraw/zinc/86/95/24/968869524.db2.gz QMFOPOBKOZVILH-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763486 968869528 /nfs/dbraw/zinc/86/95/28/968869528.db2.gz QMFOPOBKOZVILH-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763481 968878519 /nfs/dbraw/zinc/87/85/19/968878519.db2.gz QMFOPOBKOZVILH-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763481 968878527 /nfs/dbraw/zinc/87/85/27/968878527.db2.gz QMFOPOBKOZVILH-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP [NH3+]Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001241917712 969146550 /nfs/dbraw/zinc/14/65/50/969146550.db2.gz RGMIRYJODFSRFL-UHFFFAOYSA-N 2 2 239.322 2.208 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH+]2Cc3ccccc3C2)C1 ZINC001208604055 969155308 /nfs/dbraw/zinc/15/53/08/969155308.db2.gz KITGUFLYXAMMEB-ZDUSSCGKSA-N 2 2 230.355 2.344 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH+]2Cc3ccccc3C2)C1 ZINC001208604055 969155314 /nfs/dbraw/zinc/15/53/14/969155314.db2.gz KITGUFLYXAMMEB-ZDUSSCGKSA-N 2 2 230.355 2.344 20 0 BEADLP CC/C=C\CC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001208726394 969211321 /nfs/dbraw/zinc/21/13/21/969211321.db2.gz VGVMXYDNCIJWDY-PLNGDYQASA-N 2 2 219.332 2.363 20 0 BEADLP CC/C=C\CC[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001208726394 969211327 /nfs/dbraw/zinc/21/13/27/969211327.db2.gz VGVMXYDNCIJWDY-PLNGDYQASA-N 2 2 219.332 2.363 20 0 BEADLP CN(c1cccc(C2CC2)[nH+]1)C1CC[NH2+]CC1 ZINC001156180287 969213622 /nfs/dbraw/zinc/21/36/22/969213622.db2.gz ABTVSPVDKIRZIT-UHFFFAOYSA-N 2 2 231.343 2.147 20 0 BEADLP Cc1[nH+]ccc(N(CC[NH3+])c2cccnc2)c1F ZINC001168837399 969231734 /nfs/dbraw/zinc/23/17/34/969231734.db2.gz HIFFWYCTUUBTBO-UHFFFAOYSA-N 2 2 246.289 2.021 20 0 BEADLP C[N@H+](Cc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125229 969425285 /nfs/dbraw/zinc/42/52/85/969425285.db2.gz WSDCZPVGKKJGFG-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@@H+](Cc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125229 969425288 /nfs/dbraw/zinc/42/52/88/969425288.db2.gz WSDCZPVGKKJGFG-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125229 969425293 /nfs/dbraw/zinc/42/52/93/969425293.db2.gz WSDCZPVGKKJGFG-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1cccnc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125229 969425301 /nfs/dbraw/zinc/42/53/01/969425301.db2.gz WSDCZPVGKKJGFG-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3cccnc3C1)C2 ZINC001169125856 969427795 /nfs/dbraw/zinc/42/77/95/969427795.db2.gz MRAAHJFRFWQWCF-WDNDVIMCSA-N 2 2 243.354 2.022 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3cccnc3C1)C2 ZINC001169125856 969427801 /nfs/dbraw/zinc/42/78/01/969427801.db2.gz MRAAHJFRFWQWCF-WDNDVIMCSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3cccnc3C1)C2 ZINC001169125856 969427802 /nfs/dbraw/zinc/42/78/02/969427802.db2.gz MRAAHJFRFWQWCF-WDNDVIMCSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3cccnc3C1)C2 ZINC001169125856 969427808 /nfs/dbraw/zinc/42/78/08/969427808.db2.gz MRAAHJFRFWQWCF-WDNDVIMCSA-N 2 2 243.354 2.022 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3occc3C1)C2 ZINC001169155544 969473243 /nfs/dbraw/zinc/47/32/43/969473243.db2.gz QVAYEDOBXYDOSO-BTTYYORXSA-N 2 2 246.354 2.263 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3occc3C1)C2 ZINC001169155544 969473249 /nfs/dbraw/zinc/47/32/49/969473249.db2.gz QVAYEDOBXYDOSO-BTTYYORXSA-N 2 2 246.354 2.263 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3occc3C1)C2 ZINC001169155544 969473259 /nfs/dbraw/zinc/47/32/59/969473259.db2.gz QVAYEDOBXYDOSO-BTTYYORXSA-N 2 2 246.354 2.263 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3occc3C1)C2 ZINC001169155544 969473264 /nfs/dbraw/zinc/47/32/64/969473264.db2.gz QVAYEDOBXYDOSO-BTTYYORXSA-N 2 2 246.354 2.263 20 0 BEADLP CC[N@H+](Cc1ccccn1)C1CC[NH+](CC)CC1 ZINC001169264528 969518374 /nfs/dbraw/zinc/51/83/74/969518374.db2.gz HBLIKMKJEIGOQU-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[N@@H+](Cc1ccccn1)C1CC[NH+](CC)CC1 ZINC001169264528 969518380 /nfs/dbraw/zinc/51/83/80/969518380.db2.gz HBLIKMKJEIGOQU-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP Cc1cccc2c1C[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209728455 969579527 /nfs/dbraw/zinc/57/95/27/969579527.db2.gz FGRFPLQRZNEDHJ-UHFFFAOYSA-N 2 2 239.322 2.318 20 0 BEADLP Cc1cccc2c1C[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209728455 969579532 /nfs/dbraw/zinc/57/95/32/969579532.db2.gz FGRFPLQRZNEDHJ-UHFFFAOYSA-N 2 2 239.322 2.318 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209729477 969585965 /nfs/dbraw/zinc/58/59/65/969585965.db2.gz LMXWCLBOFIDXDZ-NSHDSACASA-N 2 2 219.332 2.116 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209729477 969585977 /nfs/dbraw/zinc/58/59/77/969585977.db2.gz LMXWCLBOFIDXDZ-NSHDSACASA-N 2 2 219.332 2.116 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209730651 969589004 /nfs/dbraw/zinc/58/90/04/969589004.db2.gz HORMOPBIOHJZLA-LBPRGKRZSA-N 2 2 219.332 2.259 20 0 BEADLP CC[C@H]1CCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209730651 969589012 /nfs/dbraw/zinc/58/90/12/969589012.db2.gz HORMOPBIOHJZLA-LBPRGKRZSA-N 2 2 219.332 2.259 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@H]1C ZINC001209733851 969593822 /nfs/dbraw/zinc/59/38/22/969593822.db2.gz IGCGGOLNBYCGJV-MNOVXSKESA-N 2 2 219.332 2.115 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@H]1C ZINC001209733851 969593826 /nfs/dbraw/zinc/59/38/26/969593826.db2.gz IGCGGOLNBYCGJV-MNOVXSKESA-N 2 2 219.332 2.115 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]COc2ccccc2)CC1 ZINC001254509098 969654105 /nfs/dbraw/zinc/65/41/05/969654105.db2.gz VZGFHAGOPJDLGE-ZDUSSCGKSA-N 2 2 234.343 2.097 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]COc2ccccc2)CC1 ZINC001254509098 969654112 /nfs/dbraw/zinc/65/41/12/969654112.db2.gz VZGFHAGOPJDLGE-ZDUSSCGKSA-N 2 2 234.343 2.097 20 0 BEADLP Cc1cc2cc(NCC[C@H]3CCC[NH2+]3)[nH+]cc2[nH]1 ZINC001169563309 969759051 /nfs/dbraw/zinc/75/90/51/969759051.db2.gz ZVHTVWVFQVLOHJ-GFCCVEGCSA-N 2 2 244.342 2.425 20 0 BEADLP F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833865 969795474 /nfs/dbraw/zinc/79/54/74/969795474.db2.gz SUFFZVMIARWBMP-MGPQQGTHSA-N 2 2 240.366 2.341 20 0 BEADLP CCC(CC)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832838 969796505 /nfs/dbraw/zinc/79/65/05/969796505.db2.gz RRRYNRCCONUKGH-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP FC1(F)CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833232 969796596 /nfs/dbraw/zinc/79/65/96/969796596.db2.gz NXGNGTZXJAEOLJ-RYUDHWBXSA-N 2 2 244.329 2.248 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839232 969801053 /nfs/dbraw/zinc/80/10/53/969801053.db2.gz OHMIDKRULPFWPR-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP C1=CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847665 969803335 /nfs/dbraw/zinc/80/33/35/969803335.db2.gz IGCOKQJHPMNZGC-KBPBESRZSA-N 2 2 220.360 2.169 20 0 BEADLP C1=CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847666 969803828 /nfs/dbraw/zinc/80/38/28/969803828.db2.gz IGCOKQJHPMNZGC-KGLIPLIRSA-N 2 2 220.360 2.169 20 0 BEADLP C1CC12CCC[N@@H+]2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254853770 969808781 /nfs/dbraw/zinc/80/87/81/969808781.db2.gz QYCZLRGJNDBGTL-ZDUSSCGKSA-N 2 2 220.360 2.099 20 0 BEADLP C1CC12CCC[N@H+]2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254853770 969808786 /nfs/dbraw/zinc/80/87/86/969808786.db2.gz QYCZLRGJNDBGTL-ZDUSSCGKSA-N 2 2 220.360 2.099 20 0 BEADLP C1CC2(C1)CC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254861732 969810159 /nfs/dbraw/zinc/81/01/59/969810159.db2.gz WBIJQYXLNPMIQX-CQSZACIVSA-N 2 2 234.387 2.347 20 0 BEADLP C1CC2(C1)CC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254861732 969810161 /nfs/dbraw/zinc/81/01/61/969810161.db2.gz WBIJQYXLNPMIQX-CQSZACIVSA-N 2 2 234.387 2.347 20 0 BEADLP C[C@@H]1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865065 969813593 /nfs/dbraw/zinc/81/35/93/969813593.db2.gz WKBLIHGZZROELY-GXTWGEPZSA-N 2 2 234.387 2.345 20 0 BEADLP C[C@@H]1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865065 969813600 /nfs/dbraw/zinc/81/36/00/969813600.db2.gz WKBLIHGZZROELY-GXTWGEPZSA-N 2 2 234.387 2.345 20 0 BEADLP C[N@@H+]1CCC[C@@](C)([NH2+]C2Cc3ccccc3C2)C1 ZINC001255018172 969846809 /nfs/dbraw/zinc/84/68/09/969846809.db2.gz HDFLPHJZFBSHJS-MRXNPFEDSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@@](C)([NH2+]C2Cc3ccccc3C2)C1 ZINC001255018172 969846810 /nfs/dbraw/zinc/84/68/10/969846810.db2.gz HDFLPHJZFBSHJS-MRXNPFEDSA-N 2 2 244.382 2.228 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CCC(OC)CC1 ZINC001255445491 970179703 /nfs/dbraw/zinc/17/97/03/970179703.db2.gz JKVPVFAOVATUSM-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(OC)CC1 ZINC001255445491 970179706 /nfs/dbraw/zinc/17/97/06/970179706.db2.gz JKVPVFAOVATUSM-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](Cc1ccccc1F)n1cc[nH+]c1CC[NH3+] ZINC001255829920 970502231 /nfs/dbraw/zinc/50/22/31/970502231.db2.gz AHKPXPFNMVCLQK-LLVKDONJSA-N 2 2 247.317 2.327 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001255940437 970569966 /nfs/dbraw/zinc/56/99/66/970569966.db2.gz CALIYQBIJQYBGQ-AWEZNQCLSA-N 3 2 243.439 2.166 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001255940437 970569970 /nfs/dbraw/zinc/56/99/70/970569970.db2.gz CALIYQBIJQYBGQ-AWEZNQCLSA-N 3 2 243.439 2.166 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC001170197488 970592019 /nfs/dbraw/zinc/59/20/19/970592019.db2.gz OUFBVVNXLNBDQB-IHRRRGAJSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC001170197488 970592023 /nfs/dbraw/zinc/59/20/23/970592023.db2.gz OUFBVVNXLNBDQB-IHRRRGAJSA-N 2 2 240.391 2.016 20 0 BEADLP CCCCc1nc(NCC2C[NH+](C)C2)cc(C)[nH+]1 ZINC001170252840 970659000 /nfs/dbraw/zinc/65/90/00/970659000.db2.gz DRVSIIYLPRVTNI-UHFFFAOYSA-N 2 2 248.374 2.101 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)nc1 ZINC001256196829 970688007 /nfs/dbraw/zinc/68/80/07/970688007.db2.gz YSLJRNFJTIODDF-GFCCVEGCSA-N 2 2 233.359 2.135 20 0 BEADLP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001256207262 970708095 /nfs/dbraw/zinc/70/80/95/970708095.db2.gz FNLVBRDAKALFDE-NEPJUHHUSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001256207262 970708101 /nfs/dbraw/zinc/70/81/01/970708101.db2.gz FNLVBRDAKALFDE-NEPJUHHUSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CCC[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246548243 972682419 /nfs/dbraw/zinc/68/24/19/972682419.db2.gz JSJCAOXQXYLGHW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CCC[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246548243 972682424 /nfs/dbraw/zinc/68/24/24/972682424.db2.gz JSJCAOXQXYLGHW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(CC[C@H](C)[NH+]2CC3(C[NH2+]C3)C2)cc1 ZINC001246611197 973032778 /nfs/dbraw/zinc/03/27/78/973032778.db2.gz AUNVVNHBZFQCKK-AWEZNQCLSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1cc(CO[C@H](C)C[NH+](C)C)cc(C)[nH+]1 ZINC001223420252 973039671 /nfs/dbraw/zinc/03/96/71/973039671.db2.gz JVXBBKGSJWWVOO-GFCCVEGCSA-N 2 2 222.332 2.165 20 0 BEADLP Cn1c[nH+]c2ccc(NC[C@H]3CCCC[NH2+]3)cc21 ZINC001171332953 973860546 /nfs/dbraw/zinc/86/05/46/973860546.db2.gz AZRHXJGHDYQMRY-GFCCVEGCSA-N 2 2 244.342 2.127 20 0 BEADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])cc1 ZINC001171660655 974122713 /nfs/dbraw/zinc/12/27/13/974122713.db2.gz NNTRVHJGIUPZCV-MRVWCRGKSA-N 2 2 218.344 2.005 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001172098406 974338682 /nfs/dbraw/zinc/33/86/82/974338682.db2.gz DIGVJKSQYACCDP-DEZZGGKRSA-N 2 2 249.358 2.088 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001172098406 974338698 /nfs/dbraw/zinc/33/86/98/974338698.db2.gz DIGVJKSQYACCDP-DEZZGGKRSA-N 2 2 249.358 2.088 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[nH+]cc1)C2 ZINC001225291368 974363993 /nfs/dbraw/zinc/36/39/93/974363993.db2.gz TZXMXADDEAUICR-PJXYFTJBSA-N 2 2 218.300 2.086 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[nH+]cc1)C2 ZINC001225291368 974363998 /nfs/dbraw/zinc/36/39/98/974363998.db2.gz TZXMXADDEAUICR-PJXYFTJBSA-N 2 2 218.300 2.086 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCOC(C)C ZINC001172431433 974712644 /nfs/dbraw/zinc/71/26/44/974712644.db2.gz NXXIYUMZCYLRDI-ZDUSSCGKSA-N 2 2 230.396 2.121 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172384176 974727352 /nfs/dbraw/zinc/72/73/52/974727352.db2.gz FCZGMCVUFNOBDY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172384176 974727358 /nfs/dbraw/zinc/72/73/58/974727358.db2.gz FCZGMCVUFNOBDY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001172435107 974765196 /nfs/dbraw/zinc/76/51/96/974765196.db2.gz XGXZZIBWOWBGDT-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001172435107 974765200 /nfs/dbraw/zinc/76/52/00/974765200.db2.gz XGXZZIBWOWBGDT-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP C/C=C/C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001331922733 974869380 /nfs/dbraw/zinc/86/93/80/974869380.db2.gz MPEKYCRRXXNLKP-ONEGZZNKSA-N 2 2 242.282 2.090 20 0 BEADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172540544 974876032 /nfs/dbraw/zinc/87/60/32/974876032.db2.gz OLGHKPYFRNKGNL-LXTVHRRPSA-N 2 2 230.355 2.402 20 0 BEADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+](C)C)CC2 ZINC001172825331 974948138 /nfs/dbraw/zinc/94/81/38/974948138.db2.gz GDZOIOWSPYITKI-CZUORRHYSA-N 2 2 246.398 2.392 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172914854 974963372 /nfs/dbraw/zinc/96/33/72/974963372.db2.gz KWTZCSMTJDTAOI-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172914854 974963377 /nfs/dbraw/zinc/96/33/77/974963377.db2.gz KWTZCSMTJDTAOI-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1CC[C@@H](n2c[nH+]c(C)c2CC[NH3+])C1 ZINC001173264506 975126294 /nfs/dbraw/zinc/12/62/94/975126294.db2.gz MLHXGFWCYBPBED-NWDGAFQWSA-N 2 2 221.348 2.444 20 0 BEADLP CCSC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001173293108 975168195 /nfs/dbraw/zinc/16/81/95/975168195.db2.gz XCNWSDPLSZEPDA-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CCSC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001173293107 975170893 /nfs/dbraw/zinc/17/08/93/975170893.db2.gz XCNWSDPLSZEPDA-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CCSC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001173302106 975200409 /nfs/dbraw/zinc/20/04/09/975200409.db2.gz OPCAYPDDXPZSKJ-NSHDSACASA-N 2 2 240.372 2.192 20 0 BEADLP CCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001173285629 975243869 /nfs/dbraw/zinc/24/38/69/975243869.db2.gz YYSSJAWQGMOTKV-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001173285629 975243873 /nfs/dbraw/zinc/24/38/73/975243873.db2.gz YYSSJAWQGMOTKV-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP C[NH+](C)Cc1ccccc1Nc1[nH+]cccc1N ZINC001173928063 976037422 /nfs/dbraw/zinc/03/74/22/976037422.db2.gz WLSIIGRJIVAHJX-UHFFFAOYSA-N 2 2 242.326 2.469 20 0 BEADLP CC[N@@H+]1CC[C@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC001228327266 976124801 /nfs/dbraw/zinc/12/48/01/976124801.db2.gz QIMSVNNFGSEONR-LBPRGKRZSA-N 2 2 245.326 2.344 20 0 BEADLP CC[N@H+]1CC[C@H](Oc2ccc3[nH]c(C)[nH+]c3c2)C1 ZINC001228327266 976124811 /nfs/dbraw/zinc/12/48/11/976124811.db2.gz QIMSVNNFGSEONR-LBPRGKRZSA-N 2 2 245.326 2.344 20 0 BEADLP Nc1cccc2[nH+]cn(-c3ccc4[nH+]ccn4c3)c21 ZINC001174276842 976504787 /nfs/dbraw/zinc/50/47/87/976504787.db2.gz SBSRRHJILCCNBY-UHFFFAOYSA-N 2 2 249.277 2.255 20 0 BEADLP Cc1[nH]c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c(C)[nH+]1 ZINC001334766344 976631789 /nfs/dbraw/zinc/63/17/89/976631789.db2.gz IJNPZRAUMOKOOO-KBPBESRZSA-N 2 2 249.358 2.074 20 0 BEADLP C[C@@H](c1cccc(OC2C[NH+](C)C2)c1)[NH+](C)C ZINC001229618525 976913196 /nfs/dbraw/zinc/91/31/96/976913196.db2.gz BLOOGTFTEYKNPU-NSHDSACASA-N 2 2 234.343 2.002 20 0 BEADLP Cc1cc(Nc2ccn3cc[nH+]c3c2)cc[nH+]1 ZINC001174655204 976941983 /nfs/dbraw/zinc/94/19/83/976941983.db2.gz XQSXNKJXLXIIPP-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP Cc1cc(C)c(NC2=CCC[N@@H+](C)C2)c[nH+]1 ZINC001175574966 977573736 /nfs/dbraw/zinc/57/37/36/977573736.db2.gz HNKWNHOJKWCHOH-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1[nH+]ccn1CCNc1cc(F)cc(C)[nH+]1 ZINC001336698049 977863634 /nfs/dbraw/zinc/86/36/34/977863634.db2.gz IHYHGZBGUDNJSD-UHFFFAOYSA-N 2 2 234.278 2.146 20 0 BEADLP COc1cc[nH+]cc1Nc1cc[nH+]c(N(C)C)c1 ZINC001176119473 977948948 /nfs/dbraw/zinc/94/89/48/977948948.db2.gz UMXOOZOIIJVQGW-UHFFFAOYSA-N 2 2 244.298 2.295 20 0 BEADLP CCc1cc(Nc2c[nH+]ccc2OC)cc[nH+]1 ZINC001176119624 977953255 /nfs/dbraw/zinc/95/32/55/977953255.db2.gz WWKFZRSYCCPRNZ-UHFFFAOYSA-N 2 2 229.283 2.213 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001232461258 978100750 /nfs/dbraw/zinc/10/07/50/978100750.db2.gz ZBWVADKGVGDFEH-VXGBXAGGSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC001232461258 978100752 /nfs/dbraw/zinc/10/07/52/978100752.db2.gz ZBWVADKGVGDFEH-VXGBXAGGSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1cc(F)cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC001337238256 978234246 /nfs/dbraw/zinc/23/42/46/978234246.db2.gz GBAFVNSTDSUXPX-WCQYABFASA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC001337238256 978234254 /nfs/dbraw/zinc/23/42/54/978234254.db2.gz GBAFVNSTDSUXPX-WCQYABFASA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)[nH+]1 ZINC001337431701 978333693 /nfs/dbraw/zinc/33/36/93/978333693.db2.gz LURLWJIBIUMBAM-KGYLQXTDSA-N 2 2 249.333 2.281 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)[nH+]1 ZINC001337431701 978333702 /nfs/dbraw/zinc/33/37/02/978333702.db2.gz LURLWJIBIUMBAM-KGYLQXTDSA-N 2 2 249.333 2.281 20 0 BEADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H](C)[NH3+])C(C)(C)C ZINC001337823726 978513969 /nfs/dbraw/zinc/51/39/69/978513969.db2.gz DRUDECBLJUCPHO-DGCLKSJQSA-N 2 2 235.375 2.414 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]3C[C@H]32)[nH+]1 ZINC001233363984 978575323 /nfs/dbraw/zinc/57/53/23/978575323.db2.gz JPFRCIMKBWMLJK-WCQYABFASA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]3C[C@H]32)[nH+]1 ZINC001233363984 978575327 /nfs/dbraw/zinc/57/53/27/978575327.db2.gz JPFRCIMKBWMLJK-WCQYABFASA-N 2 2 227.311 2.319 20 0 BEADLP CC[N@@H+]1CCC[C@@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233754416 978690190 /nfs/dbraw/zinc/69/01/90/978690190.db2.gz KKGDTIVJFOLDRO-GFCCVEGCSA-N 2 2 245.326 2.197 20 0 BEADLP CC[N@H+]1CCC[C@@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233754416 978690193 /nfs/dbraw/zinc/69/01/93/978690193.db2.gz KKGDTIVJFOLDRO-GFCCVEGCSA-N 2 2 245.326 2.197 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070325984 978836450 /nfs/dbraw/zinc/83/64/50/978836450.db2.gz KWTZCSMTJDTAOI-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070325984 978836453 /nfs/dbraw/zinc/83/64/53/978836453.db2.gz KWTZCSMTJDTAOI-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000070643539 978861440 /nfs/dbraw/zinc/86/14/40/978861440.db2.gz HYTJVFNUNBREOF-NEPJUHHUSA-N 2 2 221.348 2.131 20 0 BEADLP CCOC(=[NH2+])c1ccc(O[C@H]2CC[N@H+](C)C2)cc1 ZINC001234586063 978864054 /nfs/dbraw/zinc/86/40/54/978864054.db2.gz SLYDRWNODFHVSE-ZDUSSCGKSA-N 2 2 248.326 2.131 20 0 BEADLP CCOC(=[NH2+])c1ccc(O[C@H]2CC[N@@H+](C)C2)cc1 ZINC001234586063 978864057 /nfs/dbraw/zinc/86/40/57/978864057.db2.gz SLYDRWNODFHVSE-ZDUSSCGKSA-N 2 2 248.326 2.131 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070748164 978888875 /nfs/dbraw/zinc/88/88/75/978888875.db2.gz UIEXBWYODUZORN-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP C(CC1CCCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007435 978951034 /nfs/dbraw/zinc/95/10/34/978951034.db2.gz OPHPQDRQDIJNJN-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP C(CC1CCCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007435 978951038 /nfs/dbraw/zinc/95/10/38/978951038.db2.gz OPHPQDRQDIJNJN-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235039681 978958086 /nfs/dbraw/zinc/95/80/86/978958086.db2.gz XJVCFOKLRGDLFQ-AEGPPILISA-N 2 2 230.355 2.226 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235039681 978958091 /nfs/dbraw/zinc/95/80/91/978958091.db2.gz XJVCFOKLRGDLFQ-AEGPPILISA-N 2 2 230.355 2.226 20 0 BEADLP c1cc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)c2[nH]1 ZINC001235075026 978968616 /nfs/dbraw/zinc/96/86/16/978968616.db2.gz IUVSIZOTIZEQQZ-ZIAGYGMSSA-N 2 2 241.338 2.104 20 0 BEADLP c1cc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]43)c2[nH]1 ZINC001235075026 978968619 /nfs/dbraw/zinc/96/86/19/978968619.db2.gz IUVSIZOTIZEQQZ-ZIAGYGMSSA-N 2 2 241.338 2.104 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CC1CCC(F)(F)CC1)C2 ZINC001235165518 978985281 /nfs/dbraw/zinc/98/52/81/978985281.db2.gz KBJHMVKZYORXOC-NWDGAFQWSA-N 2 2 244.329 2.235 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CC1CCC(F)(F)CC1)C2 ZINC001235165518 978985285 /nfs/dbraw/zinc/98/52/85/978985285.db2.gz KBJHMVKZYORXOC-NWDGAFQWSA-N 2 2 244.329 2.235 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCCc1ccccc1)C2 ZINC001235164575 978985795 /nfs/dbraw/zinc/98/57/95/978985795.db2.gz BAOTWTVERUTUHY-JKSUJKDBSA-N 2 2 244.382 2.432 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCCc1ccccc1)C2 ZINC001235164575 978985800 /nfs/dbraw/zinc/98/58/00/978985800.db2.gz BAOTWTVERUTUHY-JKSUJKDBSA-N 2 2 244.382 2.432 20 0 BEADLP CCc1cccc(C[N@H+](CC)CCC[NH+](C)C)n1 ZINC001235262807 979014666 /nfs/dbraw/zinc/01/46/66/979014666.db2.gz FWRFHYCQAUGJSI-UHFFFAOYSA-N 2 2 249.402 2.418 20 0 BEADLP CCc1cccc(C[N@@H+](CC)CCC[NH+](C)C)n1 ZINC001235262807 979014671 /nfs/dbraw/zinc/01/46/71/979014671.db2.gz FWRFHYCQAUGJSI-UHFFFAOYSA-N 2 2 249.402 2.418 20 0 BEADLP CCc1ccccc1C[N@H+](CC[NH3+])C(C)C ZINC001235948457 979222729 /nfs/dbraw/zinc/22/27/29/979222729.db2.gz WSGHZFGNJHTMEP-UHFFFAOYSA-N 2 2 220.360 2.418 20 0 BEADLP CCc1ccccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235948457 979222735 /nfs/dbraw/zinc/22/27/35/979222735.db2.gz WSGHZFGNJHTMEP-UHFFFAOYSA-N 2 2 220.360 2.418 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235959043 979230004 /nfs/dbraw/zinc/23/00/04/979230004.db2.gz QFKNJCPMWAMBEA-UKRRQHHQSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001235959043 979230009 /nfs/dbraw/zinc/23/00/09/979230009.db2.gz QFKNJCPMWAMBEA-UKRRQHHQSA-N 2 2 248.370 2.015 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979856 979248914 /nfs/dbraw/zinc/24/89/14/979248914.db2.gz LLRSTVCCNSRFMJ-UKRRQHHQSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979856 979248924 /nfs/dbraw/zinc/24/89/24/979248924.db2.gz LLRSTVCCNSRFMJ-UKRRQHHQSA-N 2 2 241.338 2.091 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)c1 ZINC001236060314 979349550 /nfs/dbraw/zinc/34/95/50/979349550.db2.gz NXFYGKJDZCEDKL-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c(C)c1 ZINC001236060314 979349564 /nfs/dbraw/zinc/34/95/64/979349564.db2.gz NXFYGKJDZCEDKL-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236173339 979430494 /nfs/dbraw/zinc/43/04/94/979430494.db2.gz JLLDPRCCNWCQFB-ZDUSSCGKSA-N 2 2 218.344 2.090 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236173339 979430501 /nfs/dbraw/zinc/43/05/01/979430501.db2.gz JLLDPRCCNWCQFB-ZDUSSCGKSA-N 2 2 218.344 2.090 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001236174552 979436008 /nfs/dbraw/zinc/43/60/08/979436008.db2.gz VURGHQYYXBILRA-CQSZACIVSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001236174552 979436016 /nfs/dbraw/zinc/43/60/16/979436016.db2.gz VURGHQYYXBILRA-CQSZACIVSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001236174551 979436702 /nfs/dbraw/zinc/43/67/02/979436702.db2.gz VURGHQYYXBILRA-AWEZNQCLSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001236174551 979436707 /nfs/dbraw/zinc/43/67/07/979436707.db2.gz VURGHQYYXBILRA-AWEZNQCLSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc2cccnc2s1 ZINC001236250687 979469049 /nfs/dbraw/zinc/46/90/49/979469049.db2.gz JRJZLBTVSZVACF-LLVKDONJSA-N 2 2 247.367 2.219 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc2cccnc2s1 ZINC001236250687 979469051 /nfs/dbraw/zinc/46/90/51/979469051.db2.gz JRJZLBTVSZVACF-LLVKDONJSA-N 2 2 247.367 2.219 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)CCCO2 ZINC001236868821 979770177 /nfs/dbraw/zinc/77/01/77/979770177.db2.gz PTGSSCIUBZWSJR-AWEZNQCLSA-N 2 2 248.370 2.181 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC001236868821 979770193 /nfs/dbraw/zinc/77/01/93/979770193.db2.gz PTGSSCIUBZWSJR-AWEZNQCLSA-N 2 2 248.370 2.181 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(O)cc1C ZINC001236868948 979770530 /nfs/dbraw/zinc/77/05/30/979770530.db2.gz SHEBNOHPENRBPR-ZDUSSCGKSA-N 2 2 236.359 2.178 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(O)cc1C ZINC001236868948 979770533 /nfs/dbraw/zinc/77/05/33/979770533.db2.gz SHEBNOHPENRBPR-ZDUSSCGKSA-N 2 2 236.359 2.178 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(OC)ccc1C ZINC001236883416 979777164 /nfs/dbraw/zinc/77/71/64/979777164.db2.gz GGMYESIVXRMKNO-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(OC)ccc1C ZINC001236883416 979777169 /nfs/dbraw/zinc/77/71/69/979777169.db2.gz GGMYESIVXRMKNO-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1-n1cccc1 ZINC001236904402 979791132 /nfs/dbraw/zinc/79/11/32/979791132.db2.gz LDBXBXZDMGRFLV-ZDUSSCGKSA-N 2 2 243.354 2.256 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1-n1cccc1 ZINC001236904402 979791139 /nfs/dbraw/zinc/79/11/39/979791139.db2.gz LDBXBXZDMGRFLV-ZDUSSCGKSA-N 2 2 243.354 2.256 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2occc21 ZINC001236905170 979791327 /nfs/dbraw/zinc/79/13/27/979791327.db2.gz YTMQNEBNONNTOD-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2occc21 ZINC001236905170 979791333 /nfs/dbraw/zinc/79/13/33/979791333.db2.gz YTMQNEBNONNTOD-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2c1CCCC2 ZINC001236905178 979793350 /nfs/dbraw/zinc/79/33/50/979793350.db2.gz ZBGHJTNWAPPHKI-LBPRGKRZSA-N 2 2 232.371 2.344 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c1CCCC2 ZINC001236905178 979793355 /nfs/dbraw/zinc/79/33/55/979793355.db2.gz ZBGHJTNWAPPHKI-LBPRGKRZSA-N 2 2 232.371 2.344 20 0 BEADLP CSc1cc(C)cc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001236908836 979793909 /nfs/dbraw/zinc/79/39/09/979793909.db2.gz LYIRYTKSGONPQX-NSHDSACASA-N 2 2 238.400 2.496 20 0 BEADLP CSc1cc(C)cc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001236908836 979793921 /nfs/dbraw/zinc/79/39/21/979793921.db2.gz LYIRYTKSGONPQX-NSHDSACASA-N 2 2 238.400 2.496 20 0 BEADLP Cc1ccc(CC[NH+]2CC3(C2)CC[N@@H+](C)C3)cc1 ZINC001278066324 979845846 /nfs/dbraw/zinc/84/58/46/979845846.db2.gz DMVNFHMTMIBUMF-UHFFFAOYSA-N 2 2 244.382 2.175 20 0 BEADLP Cc1ccc(CC[NH+]2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001278066324 979845852 /nfs/dbraw/zinc/84/58/52/979845852.db2.gz DMVNFHMTMIBUMF-UHFFFAOYSA-N 2 2 244.382 2.175 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2c1CCCC2 ZINC001237204848 979846426 /nfs/dbraw/zinc/84/64/26/979846426.db2.gz UQRZXNFFPWZVRY-DOMZBBRYSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2c1CCCC2 ZINC001237204848 979846427 /nfs/dbraw/zinc/84/64/27/979846427.db2.gz UQRZXNFFPWZVRY-DOMZBBRYSA-N 2 2 244.382 2.487 20 0 BEADLP CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237275433 979858818 /nfs/dbraw/zinc/85/88/18/979858818.db2.gz NSSNEXNNUORLCI-UHFFFAOYSA-N 2 2 230.355 2.143 20 0 BEADLP Cc1[nH]c2ccc(CCC[NH+](C)C)cc2[nH+]1 ZINC001250164812 980125093 /nfs/dbraw/zinc/12/50/93/980125093.db2.gz OPFFKYABRAMDFX-UHFFFAOYSA-N 2 2 217.316 2.366 20 0 BEADLP Cc1cc(CC[NH+]2CCCC2)cc(C)[nH+]1 ZINC001250166589 980129353 /nfs/dbraw/zinc/12/93/53/980129353.db2.gz NBLHVYMXPXCQPD-UHFFFAOYSA-N 2 2 204.317 2.337 20 0 BEADLP Cc1[nH+]cc(Nc2cc(C)c[nH+]c2C)n1C ZINC001203660847 980503906 /nfs/dbraw/zinc/50/39/06/980503906.db2.gz PLBSCDFMNCQPPQ-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP Cc1cc(F)cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC001348009441 981244223 /nfs/dbraw/zinc/24/42/23/981244223.db2.gz PEEFFXODCYLQGU-PWSUYJOCSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(F)cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC001348009441 981244226 /nfs/dbraw/zinc/24/42/26/981244226.db2.gz PEEFFXODCYLQGU-PWSUYJOCSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC001348009439 981244762 /nfs/dbraw/zinc/24/47/62/981244762.db2.gz PEEFFXODCYLQGU-CMPLNLGQSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC001348009439 981244768 /nfs/dbraw/zinc/24/47/68/981244768.db2.gz PEEFFXODCYLQGU-CMPLNLGQSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(F)cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC001348009440 981245453 /nfs/dbraw/zinc/24/54/53/981245453.db2.gz PEEFFXODCYLQGU-JQWIXIFHSA-N 2 2 237.322 2.424 20 0 BEADLP Cc1cc(F)cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC001348009440 981245459 /nfs/dbraw/zinc/24/54/59/981245459.db2.gz PEEFFXODCYLQGU-JQWIXIFHSA-N 2 2 237.322 2.424 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(C2=CC[NH2+]CC2)c1 ZINC001240469241 981405419 /nfs/dbraw/zinc/40/54/19/981405419.db2.gz RTQOUPFWKMAPIV-UHFFFAOYSA-N 2 2 239.322 2.464 20 0 BEADLP c1cc(N2CCCC2)cc(C2=CCC[NH2+]C2)[nH+]1 ZINC001240651448 981559743 /nfs/dbraw/zinc/55/97/43/981559743.db2.gz HHNXAWCBFRTVRZ-UHFFFAOYSA-N 2 2 229.327 2.059 20 0 BEADLP Cc1c(C2=CCC[NH2+]C2)ccc2[nH+]ccn21 ZINC001240669833 981579101 /nfs/dbraw/zinc/57/91/01/981579101.db2.gz ANELOGDELNFKOC-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP COC1(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001349634320 981601496 /nfs/dbraw/zinc/60/14/96/981601496.db2.gz YHASVJKXIUZXTH-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001349634320 981601502 /nfs/dbraw/zinc/60/15/02/981601502.db2.gz YHASVJKXIUZXTH-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP C(c1ccc2[nH+]ccn2c1)=C1CC[NH2+]CC1 ZINC001240876065 981921405 /nfs/dbraw/zinc/92/14/05/981921405.db2.gz QGISFODLECHWHF-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP Cc1[nH+]ccc(C=C2CC[NH2+]CC2)c1C ZINC001240876892 981926806 /nfs/dbraw/zinc/92/68/06/981926806.db2.gz JLRKYNNJMMMJMC-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP COC1(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)CCC1 ZINC001352110628 982476583 /nfs/dbraw/zinc/47/65/83/982476583.db2.gz DJKFIMXMAGLUPM-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP COc1cc(C)[nH+]cc1C1=CC[N@H+](C)CC1 ZINC001241327580 982488891 /nfs/dbraw/zinc/48/88/91/982488891.db2.gz OSUDZOBAAZYQAE-UHFFFAOYSA-N 2 2 218.300 2.118 20 0 BEADLP COc1cc(C)[nH+]cc1C1=CC[N@@H+](C)CC1 ZINC001241327580 982488896 /nfs/dbraw/zinc/48/88/96/982488896.db2.gz OSUDZOBAAZYQAE-UHFFFAOYSA-N 2 2 218.300 2.118 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205806293 982571967 /nfs/dbraw/zinc/57/19/67/982571967.db2.gz TVAHUWLSWREWSZ-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205806293 982571972 /nfs/dbraw/zinc/57/19/72/982571972.db2.gz TVAHUWLSWREWSZ-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCC(F)(F)F)C1 ZINC001205807281 982574211 /nfs/dbraw/zinc/57/42/11/982574211.db2.gz ZNIQEHYDLXCXPS-NXEZZACHSA-N 2 2 238.297 2.388 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCC(F)(F)F)C1 ZINC001205807281 982574219 /nfs/dbraw/zinc/57/42/19/982574219.db2.gz ZNIQEHYDLXCXPS-NXEZZACHSA-N 2 2 238.297 2.388 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])ccc1O ZINC001205827019 982656076 /nfs/dbraw/zinc/65/60/76/982656076.db2.gz FNLVCFFXYBNUEG-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])ccc1O ZINC001205827019 982656082 /nfs/dbraw/zinc/65/60/82/982656082.db2.gz FNLVCFFXYBNUEG-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP CNc1ccccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205838161 982697859 /nfs/dbraw/zinc/69/78/59/982697859.db2.gz BABYIKWGRISICC-OCCSQVGLSA-N 2 2 247.386 2.288 20 0 BEADLP CNc1ccccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205838161 982697881 /nfs/dbraw/zinc/69/78/81/982697881.db2.gz BABYIKWGRISICC-OCCSQVGLSA-N 2 2 247.386 2.288 20 0 BEADLP C[N@@H+]1CCC=C(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001241567251 982813260 /nfs/dbraw/zinc/81/32/60/982813260.db2.gz SFXGZXCXLVDKTK-UHFFFAOYSA-N 2 2 243.354 2.401 20 0 BEADLP C[N@H+]1CCC=C(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001241567251 982813269 /nfs/dbraw/zinc/81/32/69/982813269.db2.gz SFXGZXCXLVDKTK-UHFFFAOYSA-N 2 2 243.354 2.401 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205853427 982867437 /nfs/dbraw/zinc/86/74/37/982867437.db2.gz ILNAPXFNFPEDCD-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(O)cc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205853427 982867440 /nfs/dbraw/zinc/86/74/40/982867440.db2.gz ILNAPXFNFPEDCD-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Fc1cccc(/C=C\C[NH2+]CCn2cc[nH+]c2)c1 ZINC001198943208 982874028 /nfs/dbraw/zinc/87/40/28/982874028.db2.gz VNZQEHFRAIMGKL-RQOWECAXSA-N 2 2 245.301 2.325 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C)n1 ZINC001199207942 982895449 /nfs/dbraw/zinc/89/54/49/982895449.db2.gz IXVVQBQKDGSNSO-CYBMUJFWSA-N 2 2 244.342 2.073 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(C)n1 ZINC001199207943 982896963 /nfs/dbraw/zinc/89/69/63/982896963.db2.gz IXVVQBQKDGSNSO-ZDUSSCGKSA-N 2 2 244.342 2.073 20 0 BEADLP c1ccc(NCCC[NH2+]Cc2ccncc2)[nH+]c1 ZINC001200902993 983120992 /nfs/dbraw/zinc/12/09/92/983120992.db2.gz ZFZYANLBBWMKSI-UHFFFAOYSA-N 2 2 242.326 2.068 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001354222017 983204588 /nfs/dbraw/zinc/20/45/88/983204588.db2.gz WLXKRTVGBLSDPK-WBMJQRKESA-N 2 2 244.382 2.405 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201504727 983269930 /nfs/dbraw/zinc/26/99/30/983269930.db2.gz YVGPTASBDWUORK-JTQLQIEISA-N 2 2 207.321 2.053 20 0 BEADLP CC[C@H](C)C[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201504727 983269941 /nfs/dbraw/zinc/26/99/41/983269941.db2.gz YVGPTASBDWUORK-JTQLQIEISA-N 2 2 207.321 2.053 20 0 BEADLP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201516953 983315625 /nfs/dbraw/zinc/31/56/25/983315625.db2.gz HREJGPUGYWVADR-RWMBFGLXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201516953 983315630 /nfs/dbraw/zinc/31/56/30/983315630.db2.gz HREJGPUGYWVADR-RWMBFGLXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201516953 983315636 /nfs/dbraw/zinc/31/56/36/983315636.db2.gz HREJGPUGYWVADR-RWMBFGLXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201516953 983315640 /nfs/dbraw/zinc/31/56/40/983315640.db2.gz HREJGPUGYWVADR-RWMBFGLXSA-N 2 2 210.365 2.059 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1ccc(C[NH+](C)C)cn1 ZINC001242078817 983327013 /nfs/dbraw/zinc/32/70/13/983327013.db2.gz RUYOCJNATXZTEQ-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccccc3)C[C@H]21 ZINC001201606095 983374380 /nfs/dbraw/zinc/37/43/80/983374380.db2.gz IJZYYHDXBSEGEN-JKSUJKDBSA-N 2 2 244.382 2.255 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC001201606095 983374406 /nfs/dbraw/zinc/37/44/06/983374406.db2.gz IJZYYHDXBSEGEN-JKSUJKDBSA-N 2 2 244.382 2.255 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(Cl)s2)CC[NH2+]1 ZINC000718147888 984393134 /nfs/dbraw/zinc/39/31/34/984393134.db2.gz ILMDKCXULPEBSY-YUMQZZPRSA-N 2 2 245.779 2.027 20 0 BEADLP C(C1CC1)[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275138666 984500324 /nfs/dbraw/zinc/50/03/24/984500324.db2.gz WFRXCRPAFKPNCY-UHFFFAOYSA-N 2 2 234.387 2.347 20 0 BEADLP C(C1CC1)[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275138666 984500332 /nfs/dbraw/zinc/50/03/32/984500332.db2.gz WFRXCRPAFKPNCY-UHFFFAOYSA-N 2 2 234.387 2.347 20 0 BEADLP CC[N@@H+](CC[NH3+])CCSC1CCCCC1 ZINC001577721123 984655077 /nfs/dbraw/zinc/65/50/77/984655077.db2.gz WGVRWBVBBFOPFX-UHFFFAOYSA-N 2 2 230.421 2.333 20 0 BEADLP CC[N@H+](CC[NH3+])CCSC1CCCCC1 ZINC001577721123 984655053 /nfs/dbraw/zinc/65/50/53/984655053.db2.gz WGVRWBVBBFOPFX-UHFFFAOYSA-N 2 2 230.421 2.333 20 0 BEADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccoc1)C2 ZINC001275943968 984741958 /nfs/dbraw/zinc/74/19/58/984741958.db2.gz VUICMLIPMMELTM-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccoc1)C2 ZINC001275943968 984742003 /nfs/dbraw/zinc/74/20/03/984742003.db2.gz VUICMLIPMMELTM-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC001275943968 984742039 /nfs/dbraw/zinc/74/20/39/984742039.db2.gz VUICMLIPMMELTM-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC001275943968 984742088 /nfs/dbraw/zinc/74/20/88/984742088.db2.gz VUICMLIPMMELTM-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP Nc1cc[nH+]c2cc(-c3ccc[nH+]c3N)ccc12 ZINC001243473083 985015701 /nfs/dbraw/zinc/01/57/01/985015701.db2.gz FMFUNLJVXNTUFK-UHFFFAOYSA-N 2 2 236.278 2.461 20 0 BEADLP C[N@H+](CC[NH3+])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001578471108 985106229 /nfs/dbraw/zinc/10/62/29/985106229.db2.gz SNHFRCJBIXFEFV-KGLIPLIRSA-N 2 2 248.370 2.123 20 0 BEADLP C[N@@H+](CC[NH3+])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001578471108 985106234 /nfs/dbraw/zinc/10/62/34/985106234.db2.gz SNHFRCJBIXFEFV-KGLIPLIRSA-N 2 2 248.370 2.123 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000688730521 985717234 /nfs/dbraw/zinc/71/72/34/985717234.db2.gz FMTNISOVQMEXEZ-VHSXEESVSA-N 2 2 234.334 2.337 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000688730521 985717267 /nfs/dbraw/zinc/71/72/67/985717267.db2.gz FMTNISOVQMEXEZ-VHSXEESVSA-N 2 2 234.334 2.337 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1cccnc1 ZINC001258610859 985984666 /nfs/dbraw/zinc/98/46/66/985984666.db2.gz YIHHSUZWMHTRAZ-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1cccnc1 ZINC001258610859 985984687 /nfs/dbraw/zinc/98/46/87/985984687.db2.gz YIHHSUZWMHTRAZ-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001579500216 986034893 /nfs/dbraw/zinc/03/48/93/986034893.db2.gz XXSAGQJLUNKXDR-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)CCC1 ZINC001462115794 986287215 /nfs/dbraw/zinc/28/72/15/986287215.db2.gz VRLZJIXQFNUHKA-AVGNSLFASA-N 2 2 222.376 2.249 20 0 BEADLP CNc1cc(-c2ccccc2C[NH3+])cc[nH+]1 ZINC001244971447 986540872 /nfs/dbraw/zinc/54/08/72/986540872.db2.gz GTDVSYGJRSSRMS-UHFFFAOYSA-N 2 2 213.284 2.249 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000378809804 986620124 /nfs/dbraw/zinc/62/01/24/986620124.db2.gz ZLGQSFAOTMOYCX-CYBMUJFWSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000378809804 986620131 /nfs/dbraw/zinc/62/01/31/986620131.db2.gz ZLGQSFAOTMOYCX-CYBMUJFWSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCc1ccccc1F)C2 ZINC001580158832 986627190 /nfs/dbraw/zinc/62/71/90/986627190.db2.gz XWLXKWMNEHQWFP-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCc1ccccc1F)C2 ZINC001580158832 986627210 /nfs/dbraw/zinc/62/72/10/986627210.db2.gz XWLXKWMNEHQWFP-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCc1ccccc1F)C2 ZINC001580158833 986631266 /nfs/dbraw/zinc/63/12/66/986631266.db2.gz XWLXKWMNEHQWFP-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCc1ccccc1F)C2 ZINC001580158833 986631285 /nfs/dbraw/zinc/63/12/85/986631285.db2.gz XWLXKWMNEHQWFP-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP Cc1cc(C)c(C[NH+]2CCC([NH+](C)C)CC2)[nH]1 ZINC001137321390 986760172 /nfs/dbraw/zinc/76/01/72/986760172.db2.gz JTFVEPYVOUGGOC-UHFFFAOYSA-N 2 2 235.375 2.158 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccnc(C)c1 ZINC001137417997 986887815 /nfs/dbraw/zinc/88/78/15/986887815.db2.gz GREXDCSDEFOPTM-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccnc(C)c1 ZINC001137417997 986887817 /nfs/dbraw/zinc/88/78/17/986887817.db2.gz GREXDCSDEFOPTM-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP c1cn([C@@H]2CCSC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001255290939 986893088 /nfs/dbraw/zinc/89/30/88/986893088.db2.gz NVTWPQYSZIKFMG-WDEREUQCSA-N 2 2 237.372 2.028 20 0 BEADLP Cc1cc(-c2ccc(CC[NH3+])cc2)c[nH+]c1N ZINC001245539670 986923278 /nfs/dbraw/zinc/92/32/78/986923278.db2.gz IIQBLSUOOCZKNO-UHFFFAOYSA-N 2 2 227.311 2.140 20 0 BEADLP Cc1cc(-c2ccc(C[NH+](C)C)cn2)c[nH+]c1N ZINC001245539996 986923995 /nfs/dbraw/zinc/92/39/95/986923995.db2.gz ZTZVFPDSOXSRHB-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP CCCC(CCC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246078349 987352459 /nfs/dbraw/zinc/35/24/59/987352459.db2.gz APGQHHYIZWYGSX-NEPJUHHUSA-N 2 2 216.344 2.245 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2F)C[C@@H](C)C1 ZINC001246085258 987383754 /nfs/dbraw/zinc/38/37/54/987383754.db2.gz HSEKUCWOMMJWBS-SJHCENCUSA-N 2 2 228.355 2.101 20 0 BEADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001246088198 987390017 /nfs/dbraw/zinc/39/00/17/987390017.db2.gz SFZHBPGQNFGIMR-QJPTWQEYSA-N 2 2 228.355 2.245 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246089177 987395210 /nfs/dbraw/zinc/39/52/10/987395210.db2.gz ZRZIXBDAHNYOGL-GARJFASQSA-N 2 2 248.411 2.196 20 0 BEADLP C[C@H]1CC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@H](C)C1 ZINC001246090791 987398482 /nfs/dbraw/zinc/39/84/82/987398482.db2.gz HSEKUCWOMMJWBS-AAXDQBDMSA-N 2 2 228.355 2.101 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090734 987399740 /nfs/dbraw/zinc/39/97/40/987399740.db2.gz YOSLBPYGJHCCKA-MJBXVCDLSA-N 2 2 242.407 2.169 20 0 BEADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246100965 987424820 /nfs/dbraw/zinc/42/48/20/987424820.db2.gz USFAFMHNUJZDDW-UTUOFQBUSA-N 2 2 216.344 2.101 20 0 BEADLP C[C@@H]1CC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@@H](C)C1 ZINC001246105935 987432776 /nfs/dbraw/zinc/43/27/76/987432776.db2.gz DGWYCABEEMPUDC-KQXIARHKSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@@H]1C ZINC001246112803 987450062 /nfs/dbraw/zinc/45/00/62/987450062.db2.gz SAFDMFZNCFMURU-MLGHIDQZSA-N 2 2 228.355 2.101 20 0 BEADLP CCCCC(CCCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246121302 987469106 /nfs/dbraw/zinc/46/91/06/987469106.db2.gz LAYJOUJWAFAOIR-QWHCGFSZSA-N 2 2 228.380 2.051 20 0 BEADLP Fc1cccc2c1C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246125915 987472927 /nfs/dbraw/zinc/47/29/27/987472927.db2.gz IQEGGOJGVUSXOW-OLZOCXBDSA-N 2 2 248.345 2.025 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246130794 987482880 /nfs/dbraw/zinc/48/28/80/987482880.db2.gz VJXGHENXXKZWOX-RISCZKNCSA-N 2 2 236.334 2.098 20 0 BEADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CS2 ZINC001246131452 987483011 /nfs/dbraw/zinc/48/30/11/987483011.db2.gz YFVOJMHAXNHZEV-QWHCGFSZSA-N 2 2 248.395 2.045 20 0 BEADLP FC1(C[NH2+][C@H]2CCCC[NH2+]C2)CCCCC1 ZINC001246164399 987525447 /nfs/dbraw/zinc/52/54/47/987525447.db2.gz AEGOADFUWFDNAS-LBPRGKRZSA-N 2 2 228.355 2.391 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246168838 987535022 /nfs/dbraw/zinc/53/50/22/987535022.db2.gz LHTYJQHUSRAAEP-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP CCC[C@@H](C)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246195607 987590949 /nfs/dbraw/zinc/59/09/49/987590949.db2.gz YOSLBPYGJHCCKA-HZSPNIEDSA-N 2 2 242.407 2.169 20 0 BEADLP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246240322 987643582 /nfs/dbraw/zinc/64/35/82/987643582.db2.gz UZWDMAQGQSGUKG-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP c1[nH]c2ccccc2c1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246242755 987646758 /nfs/dbraw/zinc/64/67/58/987646758.db2.gz HBZSBPBEHZXZCH-CYBMUJFWSA-N 2 2 243.354 2.400 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282651 987675837 /nfs/dbraw/zinc/67/58/37/987675837.db2.gz TWIRTCFGDDNTAR-SDJAHQOYSA-N 2 2 248.345 2.412 20 0 BEADLP Fc1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246281789 987676267 /nfs/dbraw/zinc/67/62/67/987676267.db2.gz PPAQCZYUPZGEOI-RDBSUJKOSA-N 2 2 234.318 2.023 20 0 BEADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccncc1 ZINC001246323824 987732440 /nfs/dbraw/zinc/73/24/40/987732440.db2.gz FVHFQFCUVQKDSS-UONOGXRCSA-N 2 2 233.359 2.264 20 0 BEADLP CCC1CCC([NH2+]C[C@H]2CSCC[NH2+]2)CC1 ZINC001246337634 987744781 /nfs/dbraw/zinc/74/47/81/987744781.db2.gz UOLRHYPINIGTLG-BPCQOVAHSA-N 2 2 242.432 2.250 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246372270 987775530 /nfs/dbraw/zinc/77/55/30/987775530.db2.gz ZMBIRXQBADUKOG-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP Fc1ncccc1[C@@H]([NH2+]C1CC[NH2+]CC1)C1CC1 ZINC001246456726 987811895 /nfs/dbraw/zinc/81/18/95/987811895.db2.gz LIXGRPCQPQUIQQ-ZDUSSCGKSA-N 2 2 249.333 2.013 20 0 BEADLP Fc1ccc(CC2([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246463224 987822952 /nfs/dbraw/zinc/82/29/52/987822952.db2.gz DWBLQONVOLALKF-AWEZNQCLSA-N 2 2 248.345 2.242 20 0 BEADLP c1cc2c(s1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246478918 987836638 /nfs/dbraw/zinc/83/66/38/987836638.db2.gz PUSKWENPNPOMPH-GXSJLCMTSA-N 2 2 222.357 2.077 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC001246514242 987865072 /nfs/dbraw/zinc/86/50/72/987865072.db2.gz IKUSCTYAHXNJFL-ZIAGYGMSSA-N 2 2 233.359 2.120 20 0 BEADLP Cc1cncc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246521080 987868853 /nfs/dbraw/zinc/86/88/53/987868853.db2.gz YZSCOBDLZXWCSR-HUUCEWRRSA-N 2 2 245.370 2.183 20 0 BEADLP CCCC[C@H](CCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546367 987926433 /nfs/dbraw/zinc/92/64/33/987926433.db2.gz GHHUXCRRRVRWKH-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](CCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246546367 987926448 /nfs/dbraw/zinc/92/64/48/987926448.db2.gz GHHUXCRRRVRWKH-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001118059940 988000286 /nfs/dbraw/zinc/00/02/86/988000286.db2.gz VHAJYOKBRKTJJG-MNOVXSKESA-N 2 2 242.725 2.449 20 0 BEADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(C)C ZINC001321819327 988006434 /nfs/dbraw/zinc/00/64/34/988006434.db2.gz SEZGDOVGGMYWDP-UHFFFAOYSA-N 2 2 244.298 2.170 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246615242 988250222 /nfs/dbraw/zinc/25/02/22/988250222.db2.gz RUXBZNUKHDVSEE-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001246634382 988318087 /nfs/dbraw/zinc/31/80/87/988318087.db2.gz NBLRPAXAKYJHGL-VNQPRFMTSA-N 2 2 244.382 2.362 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001246634382 988318105 /nfs/dbraw/zinc/31/81/05/988318105.db2.gz NBLRPAXAKYJHGL-VNQPRFMTSA-N 2 2 244.382 2.362 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637003 988332368 /nfs/dbraw/zinc/33/23/68/988332368.db2.gz IIZLUQXGDFMESW-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637003 988332386 /nfs/dbraw/zinc/33/23/86/988332386.db2.gz IIZLUQXGDFMESW-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001246638630 988341347 /nfs/dbraw/zinc/34/13/47/988341347.db2.gz NBLRPAXAKYJHGL-NUEKZKHPSA-N 2 2 244.382 2.362 20 0 BEADLP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001246638630 988341358 /nfs/dbraw/zinc/34/13/58/988341358.db2.gz NBLRPAXAKYJHGL-NUEKZKHPSA-N 2 2 244.382 2.362 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641471 988348499 /nfs/dbraw/zinc/34/84/99/988348499.db2.gz IIZLUQXGDFMESW-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641471 988348514 /nfs/dbraw/zinc/34/85/14/988348514.db2.gz IIZLUQXGDFMESW-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1F ZINC001118439084 988352124 /nfs/dbraw/zinc/35/21/24/988352124.db2.gz XOYPFGMNCYBSHT-UHFFFAOYSA-N 2 2 240.322 2.003 20 0 BEADLP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1F ZINC001118439084 988352129 /nfs/dbraw/zinc/35/21/29/988352129.db2.gz XOYPFGMNCYBSHT-UHFFFAOYSA-N 2 2 240.322 2.003 20 0 BEADLP CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246650422 988374091 /nfs/dbraw/zinc/37/40/91/988374091.db2.gz AKZBYICAZJVNHW-NTZNESFSSA-N 2 2 242.432 2.330 20 0 BEADLP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246650422 988374107 /nfs/dbraw/zinc/37/41/07/988374107.db2.gz AKZBYICAZJVNHW-NTZNESFSSA-N 2 2 242.432 2.330 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775775 988455605 /nfs/dbraw/zinc/45/56/05/988455605.db2.gz LDLUTRWJNWSZJP-YUELXQCFSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775775 988455613 /nfs/dbraw/zinc/45/56/13/988455613.db2.gz LDLUTRWJNWSZJP-YUELXQCFSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246859279 988593338 /nfs/dbraw/zinc/59/33/38/988593338.db2.gz JCWBCMKCAGATLQ-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246859279 988593359 /nfs/dbraw/zinc/59/33/59/988593359.db2.gz JCWBCMKCAGATLQ-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP Clc1cccc2c1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246867857 988628346 /nfs/dbraw/zinc/62/83/46/988628346.db2.gz KTAVTRQJNLIALI-UHFFFAOYSA-N 2 2 236.746 2.408 20 0 BEADLP Clc1cccc2c1C[N@H+](C1CC[NH2+]CC1)C2 ZINC001246867857 988628358 /nfs/dbraw/zinc/62/83/58/988628358.db2.gz KTAVTRQJNLIALI-UHFFFAOYSA-N 2 2 236.746 2.408 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246874966 988645047 /nfs/dbraw/zinc/64/50/47/988645047.db2.gz YACZOTQEKGIESG-WFASDCNBSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246874966 988645054 /nfs/dbraw/zinc/64/50/54/988645054.db2.gz YACZOTQEKGIESG-WFASDCNBSA-N 2 2 230.355 2.185 20 0 BEADLP CC[N@H+](CC[NH2+]C)[C@H](C)Cc1ccccc1F ZINC001246890694 988661647 /nfs/dbraw/zinc/66/16/47/988661647.db2.gz KJYBATAYCXZCJQ-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP CC[N@@H+](CC[NH2+]C)[C@H](C)Cc1ccccc1F ZINC001246890694 988661659 /nfs/dbraw/zinc/66/16/59/988661659.db2.gz KJYBATAYCXZCJQ-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246919703 988723417 /nfs/dbraw/zinc/72/34/17/988723417.db2.gz NXKCOEFLWNMDIA-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246919703 988723424 /nfs/dbraw/zinc/72/34/24/988723424.db2.gz NXKCOEFLWNMDIA-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2C[NH2+][C@@H]2C1 ZINC001246920458 988727644 /nfs/dbraw/zinc/72/76/44/988727644.db2.gz PKILCQGRLSPQER-BZUAXINKSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@H]2C[NH2+][C@@H]2C1 ZINC001246920458 988727659 /nfs/dbraw/zinc/72/76/59/988727659.db2.gz PKILCQGRLSPQER-BZUAXINKSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246933029 988757118 /nfs/dbraw/zinc/75/71/18/988757118.db2.gz PKILCQGRLSPQER-HRCADAONSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246933029 988757130 /nfs/dbraw/zinc/75/71/30/988757130.db2.gz PKILCQGRLSPQER-HRCADAONSA-N 2 2 244.382 2.301 20 0 BEADLP Cc1[nH+]cn(-c2cc[nH+]cc2C(F)(F)F)c1N ZINC001249586560 989319001 /nfs/dbraw/zinc/31/90/01/989319001.db2.gz RNEPRWWZLBIVDE-UHFFFAOYSA-N 2 2 242.204 2.177 20 0 BEADLP FC(F)(F)CCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001120039762 989574711 /nfs/dbraw/zinc/57/47/11/989574711.db2.gz MKJUZPUPAPECCB-SECBINFHSA-N 2 2 247.264 2.130 20 0 BEADLP Cc1cc(F)cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC001120851613 989923615 /nfs/dbraw/zinc/92/36/15/989923615.db2.gz XWQFHIMAQRLPLX-AWEZNQCLSA-N 2 2 249.333 2.061 20 0 BEADLP Cc1cc(F)cc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC001120851613 989923620 /nfs/dbraw/zinc/92/36/20/989923620.db2.gz XWQFHIMAQRLPLX-AWEZNQCLSA-N 2 2 249.333 2.061 20 0 BEADLP C[C@@H]1CCN(c2cc[nH+]cc2)C[C@@H]1n1cc[nH+]c1 ZINC001120860855 989931697 /nfs/dbraw/zinc/93/16/97/989931697.db2.gz UHKWYPFQFBKNMP-OCCSQVGLSA-N 2 2 242.326 2.366 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258182689 991084394 /nfs/dbraw/zinc/08/43/94/991084394.db2.gz APZJIHQTAKGSTK-GXTWGEPZSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258182689 991084397 /nfs/dbraw/zinc/08/43/97/991084397.db2.gz APZJIHQTAKGSTK-GXTWGEPZSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258196800 991110871 /nfs/dbraw/zinc/11/08/71/991110871.db2.gz FPPNQAZUUKZPCE-CYBMUJFWSA-N 2 2 248.370 2.381 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258206501 991125370 /nfs/dbraw/zinc/12/53/70/991125370.db2.gz JBCXHGZCXXUHMK-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258206501 991125376 /nfs/dbraw/zinc/12/53/76/991125376.db2.gz JBCXHGZCXXUHMK-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258205848 991125450 /nfs/dbraw/zinc/12/54/50/991125450.db2.gz ASQGPGFPEMUAMC-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258205848 991125455 /nfs/dbraw/zinc/12/54/55/991125455.db2.gz ASQGPGFPEMUAMC-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258213351 991131419 /nfs/dbraw/zinc/13/14/19/991131419.db2.gz ZTJGVJDDTWUIIH-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258213351 991131427 /nfs/dbraw/zinc/13/14/27/991131427.db2.gz ZTJGVJDDTWUIIH-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258224082 991160229 /nfs/dbraw/zinc/16/02/29/991160229.db2.gz KPSDJWZUBFXUFH-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258224082 991160243 /nfs/dbraw/zinc/16/02/43/991160243.db2.gz KPSDJWZUBFXUFH-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258224082 991160256 /nfs/dbraw/zinc/16/02/56/991160256.db2.gz KPSDJWZUBFXUFH-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258224082 991160269 /nfs/dbraw/zinc/16/02/69/991160269.db2.gz KPSDJWZUBFXUFH-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258224086 991162447 /nfs/dbraw/zinc/16/24/47/991162447.db2.gz KPSDJWZUBFXUFH-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258224086 991162454 /nfs/dbraw/zinc/16/24/54/991162454.db2.gz KPSDJWZUBFXUFH-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258224086 991162464 /nfs/dbraw/zinc/16/24/64/991162464.db2.gz KPSDJWZUBFXUFH-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258224086 991162473 /nfs/dbraw/zinc/16/24/73/991162473.db2.gz KPSDJWZUBFXUFH-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CC[N@H+](Cc1ccc(C)cn1)C1CC[NH+](C)CC1 ZINC001139838695 991396443 /nfs/dbraw/zinc/39/64/43/991396443.db2.gz MLNOQKCERHIPNN-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1ccc(C)cn1)C1CC[NH+](C)CC1 ZINC001139838695 991396451 /nfs/dbraw/zinc/39/64/51/991396451.db2.gz MLNOQKCERHIPNN-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC001258455262 991406079 /nfs/dbraw/zinc/40/60/79/991406079.db2.gz WQEPJZZPWSYUIE-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC001258455262 991406082 /nfs/dbraw/zinc/40/60/82/991406082.db2.gz WQEPJZZPWSYUIE-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CC1CC1 ZINC001258469356 991435902 /nfs/dbraw/zinc/43/59/02/991435902.db2.gz AQNLDOAIHWTKLS-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CC1CC1 ZINC001258469356 991435912 /nfs/dbraw/zinc/43/59/12/991435912.db2.gz AQNLDOAIHWTKLS-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258612890 991535261 /nfs/dbraw/zinc/53/52/61/991535261.db2.gz HUIUXFMMRYLHML-KGLIPLIRSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001258613235 991535696 /nfs/dbraw/zinc/53/56/96/991535696.db2.gz MFPGBIFGNSOLHA-ZFWWWQNUSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001258613235 991535705 /nfs/dbraw/zinc/53/57/05/991535705.db2.gz MFPGBIFGNSOLHA-ZFWWWQNUSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001258613232 991536244 /nfs/dbraw/zinc/53/62/44/991536244.db2.gz MFPGBIFGNSOLHA-DZGCQCFKSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001258613232 991536257 /nfs/dbraw/zinc/53/62/57/991536257.db2.gz MFPGBIFGNSOLHA-DZGCQCFKSA-N 2 2 247.386 2.085 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001258664851 991605461 /nfs/dbraw/zinc/60/54/61/991605461.db2.gz SVZGDIWJBUPFHH-GFCCVEGCSA-N 2 2 228.380 2.053 20 0 BEADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cncnc2)CC1 ZINC001258766049 991726163 /nfs/dbraw/zinc/72/61/63/991726163.db2.gz KGOAHGINAVIGCI-GFCCVEGCSA-N 2 2 248.374 2.002 20 0 BEADLP CCC[NH+]1CCC([NH2+]COc2ccccc2)CC1 ZINC001258768580 991733517 /nfs/dbraw/zinc/73/35/17/991733517.db2.gz SMZWXXRFRGPXHS-UHFFFAOYSA-N 2 2 248.370 2.487 20 0 BEADLP C[C@H]1CCC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258806736 991803527 /nfs/dbraw/zinc/80/35/27/991803527.db2.gz GQNCRGLRICLIHG-QWRGUYRKSA-N 2 2 207.321 2.136 20 0 BEADLP CS[C@H]1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441761 991870219 /nfs/dbraw/zinc/87/02/19/991870219.db2.gz CSCLBPBDZVKHHN-NEPJUHHUSA-N 2 2 239.388 2.099 20 0 BEADLP CS[C@H]1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441761 991870225 /nfs/dbraw/zinc/87/02/25/991870225.db2.gz CSCLBPBDZVKHHN-NEPJUHHUSA-N 2 2 239.388 2.099 20 0 BEADLP CC(C)(C[N@@H+]1CCC[C@H]([NH3+])C1)Oc1ccccc1 ZINC001575320069 993011957 /nfs/dbraw/zinc/01/19/57/993011957.db2.gz OAAUGXKJXKZXQR-ZDUSSCGKSA-N 2 2 248.370 2.267 20 0 BEADLP CC(C)(C[N@H+]1CCC[C@H]([NH3+])C1)Oc1ccccc1 ZINC001575320069 993011965 /nfs/dbraw/zinc/01/19/65/993011965.db2.gz OAAUGXKJXKZXQR-ZDUSSCGKSA-N 2 2 248.370 2.267 20 0 BEADLP CC(C)([NH3+])CNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC001575358036 993019375 /nfs/dbraw/zinc/01/93/75/993019375.db2.gz LHFUUKTVQULMDJ-UHFFFAOYSA-N 2 2 238.722 2.366 20 0 BEADLP CC(C)([NH3+])CNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC001575358036 993019381 /nfs/dbraw/zinc/01/93/81/993019381.db2.gz LHFUUKTVQULMDJ-UHFFFAOYSA-N 2 2 238.722 2.366 20 0 BEADLP CCc1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC001262683778 993024680 /nfs/dbraw/zinc/02/46/80/993024680.db2.gz VYYWCRLASHVAGC-CQSZACIVSA-N 2 2 247.386 2.422 20 0 BEADLP CCc1ccc(N(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC001262683778 993024686 /nfs/dbraw/zinc/02/46/86/993024686.db2.gz VYYWCRLASHVAGC-CQSZACIVSA-N 2 2 247.386 2.422 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC000378789477 993204725 /nfs/dbraw/zinc/20/47/25/993204725.db2.gz MWIKNHYMZKAIMQ-GFCCVEGCSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC000378789477 993204735 /nfs/dbraw/zinc/20/47/35/993204735.db2.gz MWIKNHYMZKAIMQ-GFCCVEGCSA-N 2 2 240.297 2.278 20 0 BEADLP CCCCCC[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC000379444415 993242427 /nfs/dbraw/zinc/24/24/27/993242427.db2.gz SJUXCCFNPIWLBW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000383246904 993484123 /nfs/dbraw/zinc/48/41/23/993484123.db2.gz DMNPAYITDASSSS-LBPRGKRZSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC000383246904 993484132 /nfs/dbraw/zinc/48/41/32/993484132.db2.gz DMNPAYITDASSSS-LBPRGKRZSA-N 2 2 240.297 2.278 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccoc1 ZINC000390462295 993788360 /nfs/dbraw/zinc/78/83/60/993788360.db2.gz GINXPMWTZGFHGJ-GFCCVEGCSA-N 2 2 224.348 2.490 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001620789692 1170130410 /nfs/dbraw/zinc/13/04/10/1170130410.db2.gz GCCVCPLVEOFQCE-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001620789692 1170130413 /nfs/dbraw/zinc/13/04/13/1170130413.db2.gz GCCVCPLVEOFQCE-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001621051722 1170190275 /nfs/dbraw/zinc/19/02/75/1170190275.db2.gz PJOBMLIKCGZXPF-CYBMUJFWSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC001621051722 1170190283 /nfs/dbraw/zinc/19/02/83/1170190283.db2.gz PJOBMLIKCGZXPF-CYBMUJFWSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1c[nH]c(Nc2cc[nH+]cc2C(F)(F)F)[nH+]1 ZINC001612114934 1170451809 /nfs/dbraw/zinc/45/18/09/1170451809.db2.gz QWWYARTZGWYMNX-UHFFFAOYSA-N 2 2 242.204 2.297 20 0 BEADLP CCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620679184 1170700193 /nfs/dbraw/zinc/70/01/93/1170700193.db2.gz VTZZERGPDQSPQU-UHFFFAOYSA-N 2 2 207.321 2.010 20 0 BEADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745302 1170706755 /nfs/dbraw/zinc/70/67/55/1170706755.db2.gz RHCUBEQKUFOXHZ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745302 1170706761 /nfs/dbraw/zinc/70/67/61/1170706761.db2.gz RHCUBEQKUFOXHZ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 ZINC001621560725 1170849553 /nfs/dbraw/zinc/84/95/53/1170849553.db2.gz VZVTZQVZTJJJNN-IHRRRGAJSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 ZINC001621560725 1170849565 /nfs/dbraw/zinc/84/95/65/1170849565.db2.gz VZVTZQVZTJJJNN-IHRRRGAJSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC001621560726 1170850465 /nfs/dbraw/zinc/85/04/65/1170850465.db2.gz VZVTZQVZTJJJNN-MELADBBJSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC001621560726 1170850476 /nfs/dbraw/zinc/85/04/76/1170850476.db2.gz VZVTZQVZTJJJNN-MELADBBJSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570400 1170855341 /nfs/dbraw/zinc/85/53/41/1170855341.db2.gz SYDSHKHFCQSOOU-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570400 1170855348 /nfs/dbraw/zinc/85/53/48/1170855348.db2.gz SYDSHKHFCQSOOU-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(NC[C@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000044493225 1171386346 /nfs/dbraw/zinc/38/63/46/1171386346.db2.gz UNUVIMMWZMOAHP-GFCCVEGCSA-N 2 2 248.374 2.462 20 0 BEADLP C[C@H](C[NH2+]Cc1cccc2[nH]ccc21)[NH+](C)C ZINC000070941036 398141681 /nfs/dbraw/zinc/14/16/81/398141681.db2.gz IXZLOWUZHHKAAI-LLVKDONJSA-N 2 2 231.343 2.208 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H]2C2CCC2)c[nH+]1 ZINC000161613198 349476513 /nfs/dbraw/zinc/47/65/13/349476513.db2.gz DNYPKBGLVNXRAQ-CYBMUJFWSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H]2C2CCC2)c[nH+]1 ZINC000161613198 349476516 /nfs/dbraw/zinc/47/65/16/349476516.db2.gz DNYPKBGLVNXRAQ-CYBMUJFWSA-N 2 2 219.332 2.148 20 0 BEADLP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190542 349501819 /nfs/dbraw/zinc/50/18/19/349501819.db2.gz HSSHJGUUIJJASS-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190542 349501822 /nfs/dbraw/zinc/50/18/22/349501822.db2.gz HSSHJGUUIJJASS-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1F ZINC000194536027 178005588 /nfs/dbraw/zinc/00/55/88/178005588.db2.gz AWZPPNDCHHCYKZ-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1F ZINC000194536027 178005591 /nfs/dbraw/zinc/00/55/91/178005591.db2.gz AWZPPNDCHHCYKZ-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1F ZINC000194536027 178005593 /nfs/dbraw/zinc/00/55/93/178005593.db2.gz AWZPPNDCHHCYKZ-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1F ZINC000194536027 178005596 /nfs/dbraw/zinc/00/55/96/178005596.db2.gz AWZPPNDCHHCYKZ-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cs1 ZINC000294877300 178005702 /nfs/dbraw/zinc/00/57/02/178005702.db2.gz QLIWSRCHLMFGII-QWHCGFSZSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cs1 ZINC000294877300 178005704 /nfs/dbraw/zinc/00/57/04/178005704.db2.gz QLIWSRCHLMFGII-QWHCGFSZSA-N 2 2 236.384 2.240 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000415012339 398153708 /nfs/dbraw/zinc/15/37/08/398153708.db2.gz SISSAAOKPWEXKX-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422907591 398157044 /nfs/dbraw/zinc/15/70/44/398157044.db2.gz XDOMMVWIHOKXDE-WFASDCNBSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000379807829 398168336 /nfs/dbraw/zinc/16/83/36/398168336.db2.gz OOJQRYLBHGCQIA-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000379807829 398168339 /nfs/dbraw/zinc/16/83/39/398168339.db2.gz OOJQRYLBHGCQIA-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233394 398165126 /nfs/dbraw/zinc/16/51/26/398165126.db2.gz JSRYUZYNDHKVRL-KYOSRNDESA-N 2 2 230.355 2.262 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@@H](C)O2)c[nH+]1 ZINC000453623437 398166043 /nfs/dbraw/zinc/16/60/43/398166043.db2.gz BOOHILJTKDKVHD-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000227440423 178086992 /nfs/dbraw/zinc/08/69/92/178086992.db2.gz PIIOEOHJHJFETJ-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000227440423 178086995 /nfs/dbraw/zinc/08/69/95/178086995.db2.gz PIIOEOHJHJFETJ-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313304744 398194236 /nfs/dbraw/zinc/19/42/36/398194236.db2.gz RUKCNKWUQQSTEP-WCQYABFASA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC1(C)C ZINC000336748583 398198602 /nfs/dbraw/zinc/19/86/02/398198602.db2.gz SRNXRLXVJSIHLX-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000250966627 178121999 /nfs/dbraw/zinc/12/19/99/178121999.db2.gz QFOWJNVDZVOIPK-NEPJUHHUSA-N 2 2 248.374 2.082 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+]2C)cn1 ZINC000354214773 187328189 /nfs/dbraw/zinc/32/81/89/187328189.db2.gz DEOXZWNTTQGQRD-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000354214773 187328191 /nfs/dbraw/zinc/32/81/91/187328191.db2.gz DEOXZWNTTQGQRD-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000040727044 178160608 /nfs/dbraw/zinc/16/06/08/178160608.db2.gz KTFSGMZEELMEGO-CYBMUJFWSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000040727044 178160610 /nfs/dbraw/zinc/16/06/10/178160610.db2.gz KTFSGMZEELMEGO-CYBMUJFWSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NCCc2cc[nH+]cc2C)nc(C)[nH+]1 ZINC000269941190 178163561 /nfs/dbraw/zinc/16/35/61/178163561.db2.gz FOMNUANWMYMRLM-UHFFFAOYSA-N 2 2 242.326 2.451 20 0 BEADLP Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)nc[nH+]1 ZINC000301225313 178166896 /nfs/dbraw/zinc/16/68/96/178166896.db2.gz FPIZIPLBQJHOCE-ZDUSSCGKSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1cc(NC[C@@H]2CCC[N@H+](C(C)C)C2)nc[nH+]1 ZINC000301225313 178166899 /nfs/dbraw/zinc/16/68/99/178166899.db2.gz FPIZIPLBQJHOCE-ZDUSSCGKSA-N 2 2 248.374 2.317 20 0 BEADLP COC1CC[NH+](CC[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000163721527 538929944 /nfs/dbraw/zinc/92/99/44/538929944.db2.gz BZAOWJAZEKAVAX-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NCc2ccc[nH+]c2N(C)C)cc[nH+]1 ZINC000302215051 178175212 /nfs/dbraw/zinc/17/52/12/178175212.db2.gz HANFDZQYDGKTBN-UHFFFAOYSA-N 2 2 242.326 2.463 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000576436535 365595236 /nfs/dbraw/zinc/59/52/36/365595236.db2.gz SQWYABUQIBUGEW-SWLSCSKDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000576436535 365595242 /nfs/dbraw/zinc/59/52/42/365595242.db2.gz SQWYABUQIBUGEW-SWLSCSKDSA-N 2 2 236.403 2.497 20 0 BEADLP CCC(CC)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000377716583 168352601 /nfs/dbraw/zinc/35/26/01/168352601.db2.gz MYQARAROTSXDHC-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CCC(CC)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000377716583 168352604 /nfs/dbraw/zinc/35/26/04/168352604.db2.gz MYQARAROTSXDHC-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP C[NH+](C)[C@@]1(C[NH2+]CC(C)(C)C)CCSC1 ZINC000165173860 538934884 /nfs/dbraw/zinc/93/48/84/538934884.db2.gz RUQVNDZKLCVARQ-GFCCVEGCSA-N 2 2 230.421 2.059 20 0 BEADLP CC[C@H]1CC[NH+](CC[N@H+]2CC[C@H](CC)C2)C1 ZINC000125166059 323000772 /nfs/dbraw/zinc/00/07/72/323000772.db2.gz QEYCRPLYBKNDRI-KBPBESRZSA-N 2 2 224.392 2.450 20 0 BEADLP CC[C@H]1CC[NH+](CC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000125166059 323000773 /nfs/dbraw/zinc/00/07/73/323000773.db2.gz QEYCRPLYBKNDRI-KBPBESRZSA-N 2 2 224.392 2.450 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCC[NH+](C)C)oc1C ZINC000282025615 178246545 /nfs/dbraw/zinc/24/65/45/178246545.db2.gz FFQMDPZPJAWWLW-NSHDSACASA-N 2 2 224.348 2.499 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)oc1C ZINC000282453144 178249159 /nfs/dbraw/zinc/24/91/59/178249159.db2.gz ZYDXJWDNQRAWPG-NSHDSACASA-N 2 2 233.315 2.444 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)o1 ZINC000235530463 178249414 /nfs/dbraw/zinc/24/94/14/178249414.db2.gz PCQJZLQDPRIEOE-JQWIXIFHSA-N 2 2 222.332 2.299 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC2(C)C)n1C ZINC000566498657 323003379 /nfs/dbraw/zinc/00/33/79/323003379.db2.gz FMOSSJWZCKOQHF-LBPRGKRZSA-N 2 2 221.348 2.397 20 0 BEADLP CCC(CC)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000123395204 168363052 /nfs/dbraw/zinc/36/30/52/168363052.db2.gz QNWFSYJDDVCIGV-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465874 136229121 /nfs/dbraw/zinc/22/91/21/136229121.db2.gz WQKPONNJNDISGY-HIFRSBDPSA-N 2 2 230.355 2.406 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473439 136229141 /nfs/dbraw/zinc/22/91/41/136229141.db2.gz WQKPONNJNDISGY-ZFWWWQNUSA-N 2 2 230.355 2.406 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000576637622 365646516 /nfs/dbraw/zinc/64/65/16/365646516.db2.gz UJSVQMNEDWWQRJ-NSHDSACASA-N 2 2 236.334 2.354 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000576637622 365646519 /nfs/dbraw/zinc/64/65/19/365646519.db2.gz UJSVQMNEDWWQRJ-NSHDSACASA-N 2 2 236.334 2.354 20 0 BEADLP COCCc1cc[nH+]c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000287373114 538944659 /nfs/dbraw/zinc/94/46/59/538944659.db2.gz HVVNZEVWABSCSM-JTQLQIEISA-N 2 2 246.314 2.167 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000162032589 349553414 /nfs/dbraw/zinc/55/34/14/349553414.db2.gz HXBQSRJVVAFHKJ-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000162032589 349553416 /nfs/dbraw/zinc/55/34/16/349553416.db2.gz HXBQSRJVVAFHKJ-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000386093879 398263139 /nfs/dbraw/zinc/26/31/39/398263139.db2.gz PUWPBSQETYSXAW-HUUCEWRRSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000386093879 398263142 /nfs/dbraw/zinc/26/31/42/398263142.db2.gz PUWPBSQETYSXAW-HUUCEWRRSA-N 2 2 248.370 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CO1 ZINC000647178704 398264940 /nfs/dbraw/zinc/26/49/40/398264940.db2.gz DNRCCGARHUYPAW-CHWSQXEVSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000299917194 398269277 /nfs/dbraw/zinc/26/92/77/398269277.db2.gz IDSXDVGHRJMCCU-VNQPRFMTSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000299917194 398269280 /nfs/dbraw/zinc/26/92/80/398269280.db2.gz IDSXDVGHRJMCCU-VNQPRFMTSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634228 365686402 /nfs/dbraw/zinc/68/64/02/365686402.db2.gz YQZUZWSLMDFHHU-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634228 365686404 /nfs/dbraw/zinc/68/64/04/365686404.db2.gz YQZUZWSLMDFHHU-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000335606625 136236225 /nfs/dbraw/zinc/23/62/25/136236225.db2.gz ZWQHFIHZRWCRCK-CHWSQXEVSA-N 2 2 220.360 2.312 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000335606625 136236226 /nfs/dbraw/zinc/23/62/26/136236226.db2.gz ZWQHFIHZRWCRCK-CHWSQXEVSA-N 2 2 220.360 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000335604189 136236093 /nfs/dbraw/zinc/23/60/93/136236093.db2.gz XFQWWQNAFBTOSP-RYUDHWBXSA-N 2 2 221.348 2.454 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc(-c2cccnc2)c1 ZINC000035837645 342785716 /nfs/dbraw/zinc/78/57/16/342785716.db2.gz PDJPEAYZFVTFHU-UHFFFAOYSA-N 2 2 241.338 2.139 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc(-c2cccnc2)c1 ZINC000035837645 342785717 /nfs/dbraw/zinc/78/57/17/342785717.db2.gz PDJPEAYZFVTFHU-UHFFFAOYSA-N 2 2 241.338 2.139 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671879 538972440 /nfs/dbraw/zinc/97/24/40/538972440.db2.gz PHIOUENANNZHAT-QWHCGFSZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671879 538972441 /nfs/dbraw/zinc/97/24/41/538972441.db2.gz PHIOUENANNZHAT-QWHCGFSZSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@@H]([N@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000583979889 342814744 /nfs/dbraw/zinc/81/47/44/342814744.db2.gz IEUPGTAXPBWIHB-LLVKDONJSA-N 2 2 223.364 2.329 20 0 BEADLP C[C@@H]([N@@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000583979889 342814745 /nfs/dbraw/zinc/81/47/45/342814745.db2.gz IEUPGTAXPBWIHB-LLVKDONJSA-N 2 2 223.364 2.329 20 0 BEADLP CC1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000381503124 539002781 /nfs/dbraw/zinc/00/27/81/539002781.db2.gz PJKUFFYREZSVOI-CYBMUJFWSA-N 2 2 222.376 2.251 20 0 BEADLP CC1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000381503124 539002782 /nfs/dbraw/zinc/00/27/82/539002782.db2.gz PJKUFFYREZSVOI-CYBMUJFWSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383956371 539012490 /nfs/dbraw/zinc/01/24/90/539012490.db2.gz HECQOAKWMCXCCV-MXWKQRLJSA-N 2 2 244.329 2.389 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383956371 539012491 /nfs/dbraw/zinc/01/24/91/539012491.db2.gz HECQOAKWMCXCCV-MXWKQRLJSA-N 2 2 244.329 2.389 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccs1 ZINC000035275189 342886873 /nfs/dbraw/zinc/88/68/73/342886873.db2.gz IZOSSOQBIFCSBB-JTQLQIEISA-N 2 2 221.329 2.123 20 0 BEADLP CC1(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000232879197 342888289 /nfs/dbraw/zinc/88/82/89/342888289.db2.gz VHMGQZSWBYTYBG-AWEZNQCLSA-N 2 2 230.355 2.263 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000584005403 342900380 /nfs/dbraw/zinc/90/03/80/342900380.db2.gz SLSWACJTVNHIMG-AAEUAGOBSA-N 2 2 221.348 2.397 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320252 342926993 /nfs/dbraw/zinc/92/69/93/342926993.db2.gz JYXIWNXSCDVXHB-NEPJUHHUSA-N 2 2 209.337 2.440 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000356839623 342936109 /nfs/dbraw/zinc/93/61/09/342936109.db2.gz FCXSKPCUOYFKEN-GFCCVEGCSA-N 2 2 244.342 2.191 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000120163337 398336968 /nfs/dbraw/zinc/33/69/68/398336968.db2.gz XVOVMQNCEHJZQP-NEPJUHHUSA-N 2 2 207.321 2.174 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000120163337 398336969 /nfs/dbraw/zinc/33/69/69/398336969.db2.gz XVOVMQNCEHJZQP-NEPJUHHUSA-N 2 2 207.321 2.174 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000177844316 536667214 /nfs/dbraw/zinc/66/72/14/536667214.db2.gz RPKVOXZNIFRHCU-KBPBESRZSA-N 2 2 244.423 2.367 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCC1 ZINC000313268159 259332940 /nfs/dbraw/zinc/33/29/40/259332940.db2.gz VENLCZUVUCTOMP-NSHDSACASA-N 2 2 221.348 2.131 20 0 BEADLP CC(C)c1nc(N(C)CC[N@H+](C)C2CC2)cc[nH+]1 ZINC000302247007 187207029 /nfs/dbraw/zinc/20/70/29/187207029.db2.gz KZXRXUMYQCBERQ-UHFFFAOYSA-N 2 2 248.374 2.130 20 0 BEADLP CC(C)c1nc(N(C)CC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000302247007 187207031 /nfs/dbraw/zinc/20/70/31/187207031.db2.gz KZXRXUMYQCBERQ-UHFFFAOYSA-N 2 2 248.374 2.130 20 0 BEADLP C[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000020203978 342976423 /nfs/dbraw/zinc/97/64/23/342976423.db2.gz VPGQZUDQYVYCTQ-ZDUSSCGKSA-N 2 2 234.343 2.341 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@@H](O)C2)c[nH+]1 ZINC000355170033 187211508 /nfs/dbraw/zinc/21/15/08/187211508.db2.gz VWAYDVOEVAHYAQ-HUUCEWRRSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1nc(C[NH2+]CCC[NH+]2CCCC2)cs1 ZINC000020253239 342978512 /nfs/dbraw/zinc/97/85/12/342978512.db2.gz SOROMVGBRVCGAK-UHFFFAOYSA-N 2 2 239.388 2.027 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000235459681 259343991 /nfs/dbraw/zinc/34/39/91/259343991.db2.gz GQICDCXOSFCUDQ-ZJUUUORDSA-N 2 2 218.300 2.431 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000580034211 343065493 /nfs/dbraw/zinc/06/54/93/343065493.db2.gz DIIIJFODYKIJPX-CHWSQXEVSA-N 2 2 236.359 2.142 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000580034211 343065496 /nfs/dbraw/zinc/06/54/96/343065496.db2.gz DIIIJFODYKIJPX-CHWSQXEVSA-N 2 2 236.359 2.142 20 0 BEADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177254020 346925037 /nfs/dbraw/zinc/92/50/37/346925037.db2.gz LOMCNVVQPXEQKS-UHFFFAOYSA-N 2 2 242.326 2.252 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000233892678 343115008 /nfs/dbraw/zinc/11/50/08/343115008.db2.gz WTRUFLKVLDMVES-ZIAGYGMSSA-N 2 2 218.344 2.479 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634680325 343147243 /nfs/dbraw/zinc/14/72/43/343147243.db2.gz QAPBHWGLIPXEBQ-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634680325 343147244 /nfs/dbraw/zinc/14/72/44/343147244.db2.gz QAPBHWGLIPXEBQ-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000128848598 343175505 /nfs/dbraw/zinc/17/55/05/343175505.db2.gz MQPHYMOMWIRMAT-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000128848598 343175507 /nfs/dbraw/zinc/17/55/07/343175507.db2.gz MQPHYMOMWIRMAT-CYBMUJFWSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167327888 343208984 /nfs/dbraw/zinc/20/89/84/343208984.db2.gz NCPBAIXRBTYYQR-QWRGUYRKSA-N 2 2 226.389 2.219 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000310024240 343215061 /nfs/dbraw/zinc/21/50/61/343215061.db2.gz ONCHHAKUDJMKCP-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000069675493 343288494 /nfs/dbraw/zinc/28/84/94/343288494.db2.gz NTOYHGUJQQWCQI-FOGDFJRCSA-N 2 2 207.321 2.324 20 0 BEADLP CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794289 343290854 /nfs/dbraw/zinc/29/08/54/343290854.db2.gz NRPAODGYQFHHGA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794289 343290855 /nfs/dbraw/zinc/29/08/55/343290855.db2.gz NRPAODGYQFHHGA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)s1 ZINC000070600439 343334272 /nfs/dbraw/zinc/33/42/72/343334272.db2.gz OGDWPFYHTAYXBO-SECBINFHSA-N 2 2 232.780 2.474 20 0 BEADLP Cc1ccsc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000035275128 343291699 /nfs/dbraw/zinc/29/16/99/343291699.db2.gz SOIQDHOGCGCUTP-LLVKDONJSA-N 2 2 235.356 2.431 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1F ZINC000035275015 343291748 /nfs/dbraw/zinc/29/17/48/343291748.db2.gz UJRJQGSTBJWLNK-LLVKDONJSA-N 2 2 233.290 2.201 20 0 BEADLP Cc1ccc(CCC[N@H+](CCO)CC2CC2)c[nH+]1 ZINC000348715753 136294327 /nfs/dbraw/zinc/29/43/27/136294327.db2.gz QTDFJAJOWHTLFM-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1ccc(CCC[N@@H+](CCO)CC2CC2)c[nH+]1 ZINC000348715753 136294328 /nfs/dbraw/zinc/29/43/28/136294328.db2.gz QTDFJAJOWHTLFM-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP COC1CC([N@H+](C)CCCc2ccc(C)[nH+]c2)C1 ZINC000348717824 136294662 /nfs/dbraw/zinc/29/46/62/136294662.db2.gz VRKWYKHXLLBMNU-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP COC1CC([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1 ZINC000348717824 136294663 /nfs/dbraw/zinc/29/46/63/136294663.db2.gz VRKWYKHXLLBMNU-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC1(C)CC1 ZINC000584064876 343312471 /nfs/dbraw/zinc/31/24/71/343312471.db2.gz PVPBQTPZQOTLOC-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038088061 343369739 /nfs/dbraw/zinc/36/97/39/343369739.db2.gz DQSQKCLUEGPBDG-QWHCGFSZSA-N 2 2 220.360 2.330 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000070558516 343334617 /nfs/dbraw/zinc/33/46/17/343334617.db2.gz SBTNRNRGEAEKCR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000070558516 343334619 /nfs/dbraw/zinc/33/46/19/343334619.db2.gz SBTNRNRGEAEKCR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683408 343338393 /nfs/dbraw/zinc/33/83/93/343338393.db2.gz YHNCJVLBOORJGA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683408 343338394 /nfs/dbraw/zinc/33/83/94/343338394.db2.gz YHNCJVLBOORJGA-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+](CC(CC)CC)[C@H]1CC[NH2+]C1 ZINC000070901923 343339264 /nfs/dbraw/zinc/33/92/64/343339264.db2.gz QAHXJQRQLRMJMV-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+](CC(CC)CC)[C@H]1CC[NH2+]C1 ZINC000070901923 343339265 /nfs/dbraw/zinc/33/92/65/343339265.db2.gz QAHXJQRQLRMJMV-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000037266956 343342255 /nfs/dbraw/zinc/34/22/55/343342255.db2.gz IBSGVHNHKLMGKX-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1sccc1Cl ZINC000335638524 136303035 /nfs/dbraw/zinc/30/30/35/136303035.db2.gz SYKPBVSULXUFDC-PSASIEDQSA-N 2 2 244.791 2.489 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037408312 343344561 /nfs/dbraw/zinc/34/45/61/343344561.db2.gz MSGRZRWQQGXTLQ-LBPRGKRZSA-N 2 2 234.343 2.162 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408312 343344562 /nfs/dbraw/zinc/34/45/62/343344562.db2.gz MSGRZRWQQGXTLQ-LBPRGKRZSA-N 2 2 234.343 2.162 20 0 BEADLP Clc1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000041041712 343413518 /nfs/dbraw/zinc/41/35/18/343413518.db2.gz PZQUWYSABAGAQA-UHFFFAOYSA-N 2 2 235.718 2.326 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)cn1 ZINC000349405052 136344950 /nfs/dbraw/zinc/34/49/50/136344950.db2.gz HCXLCOKCZFWKCP-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cn1 ZINC000349405052 136344951 /nfs/dbraw/zinc/34/49/51/136344951.db2.gz HCXLCOKCZFWKCP-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@@H](O)C2)c[nH+]1 ZINC000349354832 136342621 /nfs/dbraw/zinc/34/26/21/136342621.db2.gz UBTKDBFPNNNKJA-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c[nH+]1 ZINC000349354832 136342622 /nfs/dbraw/zinc/34/26/22/136342622.db2.gz UBTKDBFPNNNKJA-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H](F)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000351873038 136371215 /nfs/dbraw/zinc/37/12/15/136371215.db2.gz GQQKRUOAYJWRHK-JTQLQIEISA-N 2 2 225.311 2.337 20 0 BEADLP C[C@@H](F)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000351873039 136371348 /nfs/dbraw/zinc/37/13/48/136371348.db2.gz GQQKRUOAYJWRHK-SNVBAGLBSA-N 2 2 225.311 2.337 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958360 365764151 /nfs/dbraw/zinc/76/41/51/365764151.db2.gz GODSGZHAAVXPRL-FDYHWXHSSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958360 365764153 /nfs/dbraw/zinc/76/41/53/365764153.db2.gz GODSGZHAAVXPRL-FDYHWXHSSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1F ZINC000049557406 343602662 /nfs/dbraw/zinc/60/26/62/343602662.db2.gz YDHLYBDSNFLREO-SNVBAGLBSA-N 2 2 242.313 2.395 20 0 BEADLP Clc1cnccc1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436004 343733992 /nfs/dbraw/zinc/73/39/92/343733992.db2.gz DQOFEWASAXIZIV-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP Clc1cnccc1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436004 343733994 /nfs/dbraw/zinc/73/39/94/343733994.db2.gz DQOFEWASAXIZIV-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434120 343734712 /nfs/dbraw/zinc/73/47/12/343734712.db2.gz FCPRYMDTVOEYSK-SECBINFHSA-N 2 2 243.301 2.449 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434120 343734714 /nfs/dbraw/zinc/73/47/14/343734714.db2.gz FCPRYMDTVOEYSK-SECBINFHSA-N 2 2 243.301 2.449 20 0 BEADLP Clc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000088287662 343718739 /nfs/dbraw/zinc/71/87/39/343718739.db2.gz LYKCSJCXZRYQDU-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000088287662 343718740 /nfs/dbraw/zinc/71/87/40/343718740.db2.gz LYKCSJCXZRYQDU-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000045045921 343781559 /nfs/dbraw/zinc/78/15/59/343781559.db2.gz DSNHDYNBIKSWOC-AWEZNQCLSA-N 2 2 218.344 2.343 20 0 BEADLP CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000045045921 343781561 /nfs/dbraw/zinc/78/15/61/343781561.db2.gz DSNHDYNBIKSWOC-AWEZNQCLSA-N 2 2 218.344 2.343 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000041029168 343784392 /nfs/dbraw/zinc/78/43/92/343784392.db2.gz LVFPFFFVCNIRQX-YOIVXCQUSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000041029168 343784394 /nfs/dbraw/zinc/78/43/94/343784394.db2.gz LVFPFFFVCNIRQX-YOIVXCQUSA-N 2 2 216.328 2.123 20 0 BEADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC[N@H+](C)CCOC ZINC000651695224 537821578 /nfs/dbraw/zinc/82/15/78/537821578.db2.gz BIGKGLUEMXURLB-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000651695224 537821585 /nfs/dbraw/zinc/82/15/85/537821585.db2.gz BIGKGLUEMXURLB-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000336675241 537822635 /nfs/dbraw/zinc/82/26/35/537822635.db2.gz PJGCEAWSSXDQGY-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[N@H+](C)C1CC1 ZINC000336731051 537832556 /nfs/dbraw/zinc/83/25/56/537832556.db2.gz FBFDOAXJFQZUNI-DDTOSNHZSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000336731051 537832562 /nfs/dbraw/zinc/83/25/62/537832562.db2.gz FBFDOAXJFQZUNI-DDTOSNHZSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621776671 343899433 /nfs/dbraw/zinc/89/94/33/343899433.db2.gz SESFCKNLZNRAHN-CABZTGNLSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cncc(Cl)c1 ZINC000621776671 343899434 /nfs/dbraw/zinc/89/94/34/343899434.db2.gz SESFCKNLZNRAHN-CABZTGNLSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[N@H+](C)C1CC1 ZINC000336731054 537832884 /nfs/dbraw/zinc/83/28/84/537832884.db2.gz FBFDOAXJFQZUNI-SWHYSGLUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000336731054 537832893 /nfs/dbraw/zinc/83/28/93/537832893.db2.gz FBFDOAXJFQZUNI-SWHYSGLUSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000558613029 343975257 /nfs/dbraw/zinc/97/52/57/343975257.db2.gz NPVHVUHZLVWFEE-CYBMUJFWSA-N 2 2 239.363 2.066 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070748575 343955196 /nfs/dbraw/zinc/95/51/96/343955196.db2.gz PHDNCYGJXMRPRN-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070748575 343955198 /nfs/dbraw/zinc/95/51/98/343955198.db2.gz PHDNCYGJXMRPRN-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)ccc1F ZINC000634733373 344113253 /nfs/dbraw/zinc/11/32/53/344113253.db2.gz DMUOMTYBQQNYGF-HIFRSBDPSA-N 2 2 248.345 2.366 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299921432 344148575 /nfs/dbraw/zinc/14/85/75/344148575.db2.gz PYEZLDRUODIISK-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299921432 344148578 /nfs/dbraw/zinc/14/85/78/344148578.db2.gz PYEZLDRUODIISK-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000130182861 344218457 /nfs/dbraw/zinc/21/84/57/344218457.db2.gz WECGYBOYYIJPFE-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000088553597 344240560 /nfs/dbraw/zinc/24/05/60/344240560.db2.gz UGJABABNYSVLTD-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000088553597 344240561 /nfs/dbraw/zinc/24/05/61/344240561.db2.gz UGJABABNYSVLTD-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000131849389 344237391 /nfs/dbraw/zinc/23/73/91/344237391.db2.gz FWRUEMHSSOOAQD-SDDRHHMPSA-N 2 2 210.365 2.390 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000131849389 344237393 /nfs/dbraw/zinc/23/73/93/344237393.db2.gz FWRUEMHSSOOAQD-SDDRHHMPSA-N 2 2 210.365 2.390 20 0 BEADLP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641323314 362363796 /nfs/dbraw/zinc/36/37/96/362363796.db2.gz FYDIMGNKZSXMQK-NSHDSACASA-N 2 2 237.322 2.188 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](OC)C1)C1CC1 ZINC000233445709 537842966 /nfs/dbraw/zinc/84/29/66/537842966.db2.gz HECFJNHCCBHNAF-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](OC)C1)C1CC1 ZINC000233445709 537842971 /nfs/dbraw/zinc/84/29/71/537842971.db2.gz HECFJNHCCBHNAF-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cnc2ccccc2c1 ZINC000385066256 344314318 /nfs/dbraw/zinc/31/43/18/344314318.db2.gz GQYYELGVECCJTM-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000385066256 344314322 /nfs/dbraw/zinc/31/43/22/344314322.db2.gz GQYYELGVECCJTM-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2CCC2)C[N@@H+]1C1CC1 ZINC000132863694 344309547 /nfs/dbraw/zinc/30/95/47/344309547.db2.gz ONENFHJQTVEEIY-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2CCC2)C[N@H+]1C1CC1 ZINC000132863694 344309549 /nfs/dbraw/zinc/30/95/49/344309549.db2.gz ONENFHJQTVEEIY-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000385200179 344376300 /nfs/dbraw/zinc/37/63/00/344376300.db2.gz QYHMDURVEVIISZ-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000385200179 344376303 /nfs/dbraw/zinc/37/63/03/344376303.db2.gz QYHMDURVEVIISZ-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309951536 344478831 /nfs/dbraw/zinc/47/88/31/344478831.db2.gz GHYOZUFJFCTCBJ-REWJHTLYSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309951536 344478833 /nfs/dbraw/zinc/47/88/33/344478833.db2.gz GHYOZUFJFCTCBJ-REWJHTLYSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326276 344488617 /nfs/dbraw/zinc/48/86/17/344488617.db2.gz XSFBMNDDGMXXMZ-MNOVXSKESA-N 2 2 224.373 2.021 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326274 344488782 /nfs/dbraw/zinc/48/87/82/344488782.db2.gz XSFBMNDDGMXXMZ-GHMZBOCLSA-N 2 2 224.373 2.021 20 0 BEADLP Cc1ncc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000628176799 344903124 /nfs/dbraw/zinc/90/31/24/344903124.db2.gz YFQRPYCUOLYVAL-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000628176799 344903127 /nfs/dbraw/zinc/90/31/27/344903127.db2.gz YFQRPYCUOLYVAL-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP CC(C)[NH+]1CCC(N(C)c2cccc[nH+]2)CC1 ZINC000078783992 344905281 /nfs/dbraw/zinc/90/52/81/344905281.db2.gz XLLJWIRAJHTRKC-UHFFFAOYSA-N 2 2 233.359 2.391 20 0 BEADLP CCC1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000038088988 168520083 /nfs/dbraw/zinc/52/00/83/168520083.db2.gz MNMNSGUYTYWDPA-PNESKVBLSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156454268 345161216 /nfs/dbraw/zinc/16/12/16/345161216.db2.gz NUKVLELIUDTMDW-OLZOCXBDSA-N 2 2 221.348 2.422 20 0 BEADLP CC(C)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156454268 345161217 /nfs/dbraw/zinc/16/12/17/345161217.db2.gz NUKVLELIUDTMDW-OLZOCXBDSA-N 2 2 221.348 2.422 20 0 BEADLP CC[N@H+](CC12CC(C1)C[NH2+]2)C1CC(C)(C)C1 ZINC000634996707 345191213 /nfs/dbraw/zinc/19/12/13/345191213.db2.gz RGFAIENRLPAEIZ-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC12CC(C1)C[NH2+]2)C1CC(C)(C)C1 ZINC000634996707 345191215 /nfs/dbraw/zinc/19/12/15/345191215.db2.gz RGFAIENRLPAEIZ-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1c2ccsc2CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991768 345178497 /nfs/dbraw/zinc/17/84/97/345178497.db2.gz QWISUXUJONDFBG-IFQILLTASA-N 2 2 248.395 2.419 20 0 BEADLP C[C@H]1c2ccsc2CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991768 345178500 /nfs/dbraw/zinc/17/85/00/345178500.db2.gz QWISUXUJONDFBG-IFQILLTASA-N 2 2 248.395 2.419 20 0 BEADLP CC[C@H]1CCCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993402 345190473 /nfs/dbraw/zinc/19/04/73/345190473.db2.gz TVTIYYIQZWLOKP-MOKVOYLWSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@H]1CCCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993402 345190475 /nfs/dbraw/zinc/19/04/75/345190475.db2.gz TVTIYYIQZWLOKP-MOKVOYLWSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H](c1cccs1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991828 345179272 /nfs/dbraw/zinc/17/92/72/345179272.db2.gz SMTGTLQFNFMAMG-XSRFYTQQSA-N 2 2 236.384 2.493 20 0 BEADLP C[C@H](c1cccs1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991828 345179274 /nfs/dbraw/zinc/17/92/74/345179274.db2.gz SMTGTLQFNFMAMG-XSRFYTQQSA-N 2 2 236.384 2.493 20 0 BEADLP CC(C)C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992162 345179823 /nfs/dbraw/zinc/17/98/23/345179823.db2.gz GGWWSPLNDZKRBE-HSBZDZAISA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992162 345179824 /nfs/dbraw/zinc/17/98/24/345179824.db2.gz GGWWSPLNDZKRBE-HSBZDZAISA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)(C)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992587 345181113 /nfs/dbraw/zinc/18/11/13/345181113.db2.gz UUINOAXZFXCTCP-LXVYMNJGSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992587 345181116 /nfs/dbraw/zinc/18/11/16/345181116.db2.gz UUINOAXZFXCTCP-LXVYMNJGSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[N@H+](CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634994763 345182482 /nfs/dbraw/zinc/18/24/82/345182482.db2.gz MHSGJAOVEPYJHV-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[N@@H+](CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634994763 345182484 /nfs/dbraw/zinc/18/24/84/345182484.db2.gz MHSGJAOVEPYJHV-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1c(C)noc1C ZINC000634995435 345184970 /nfs/dbraw/zinc/18/49/70/345184970.db2.gz DUXHUPQXNIBOLS-LXVYMNJGSA-N 2 2 249.358 2.084 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992897 345188263 /nfs/dbraw/zinc/18/82/63/345188263.db2.gz FJNCTIAMIQHXCL-KBHBFKLGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992897 345188264 /nfs/dbraw/zinc/18/82/64/345188264.db2.gz FJNCTIAMIQHXCL-KBHBFKLGSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993815 345192197 /nfs/dbraw/zinc/19/21/97/345192197.db2.gz HGUPDRBWXFBEFQ-UHFFFAOYSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1cc(F)ccc1C[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993815 345192199 /nfs/dbraw/zinc/19/21/99/345192199.db2.gz HGUPDRBWXFBEFQ-UHFFFAOYSA-N 2 2 248.345 2.318 20 0 BEADLP C(C1CC1)[N@H+](CC12CC(C1)C[NH2+]2)C1CCC1 ZINC000634993838 345192229 /nfs/dbraw/zinc/19/22/29/345192229.db2.gz HWSXYAQBLDCICM-UHFFFAOYSA-N 2 2 220.360 2.003 20 0 BEADLP C(C1CC1)[N@@H+](CC12CC(C1)C[NH2+]2)C1CCC1 ZINC000634993838 345192230 /nfs/dbraw/zinc/19/22/30/345192230.db2.gz HWSXYAQBLDCICM-UHFFFAOYSA-N 2 2 220.360 2.003 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cccs2)C1 ZINC000634997070 345194060 /nfs/dbraw/zinc/19/40/60/345194060.db2.gz CCAWMAUMKKBQOV-NSHDSACASA-N 2 2 224.373 2.451 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccs2)C1 ZINC000634997070 345194062 /nfs/dbraw/zinc/19/40/62/345194062.db2.gz CCAWMAUMKKBQOV-NSHDSACASA-N 2 2 224.373 2.451 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc(O)c2)C1 ZINC000634997408 345195225 /nfs/dbraw/zinc/19/52/25/345195225.db2.gz KMFIHIUXSMCOOK-CYBMUJFWSA-N 2 2 234.343 2.096 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000634997408 345195228 /nfs/dbraw/zinc/19/52/28/345195228.db2.gz KMFIHIUXSMCOOK-CYBMUJFWSA-N 2 2 234.343 2.096 20 0 BEADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)F ZINC000635003411 345206201 /nfs/dbraw/zinc/20/62/01/345206201.db2.gz JGSIOUZARXKVKH-DGCLKSJQSA-N 2 2 238.350 2.283 20 0 BEADLP CC(C)(F)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000635004566 345207733 /nfs/dbraw/zinc/20/77/33/345207733.db2.gz PNUWGNDUEIIVEU-VXGBXAGGSA-N 2 2 222.307 2.469 20 0 BEADLP CC(C)(F)C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000635004557 345207880 /nfs/dbraw/zinc/20/78/80/345207880.db2.gz PNUWGNDUEIIVEU-NEPJUHHUSA-N 2 2 222.307 2.469 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000635013828 345218622 /nfs/dbraw/zinc/21/86/22/345218622.db2.gz WLVDVHDCZPFMPB-DOLQZWNJSA-N 2 2 236.281 2.057 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000562653739 345427771 /nfs/dbraw/zinc/42/77/71/345427771.db2.gz NRVNSYMEXIHUNK-HNNXBMFYSA-N 2 2 246.398 2.469 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000562653739 345427775 /nfs/dbraw/zinc/42/77/75/345427775.db2.gz NRVNSYMEXIHUNK-HNNXBMFYSA-N 2 2 246.398 2.469 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]1 ZINC000080960297 345455330 /nfs/dbraw/zinc/45/53/30/345455330.db2.gz BKSCJEGRMJZMOG-CYBMUJFWSA-N 2 2 242.326 2.184 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]1 ZINC000080960297 345455332 /nfs/dbraw/zinc/45/53/32/345455332.db2.gz BKSCJEGRMJZMOG-CYBMUJFWSA-N 2 2 242.326 2.184 20 0 BEADLP CCc1nc(NC(C)(C)c2[nH]cc[nH+]2)cc(C)[nH+]1 ZINC000641664331 362589569 /nfs/dbraw/zinc/58/95/69/362589569.db2.gz GEWVGWKWVOQNIE-UHFFFAOYSA-N 2 2 245.330 2.418 20 0 BEADLP Cc1nc2[nH]ccc2c(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000080970589 345456579 /nfs/dbraw/zinc/45/65/79/345456579.db2.gz HLVCVSMCVAVIDS-VIFPVBQESA-N 2 2 247.346 2.018 20 0 BEADLP Cc1cc[nH+]c(NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000091481808 345595094 /nfs/dbraw/zinc/59/50/94/345595094.db2.gz DPIMKNMNQVPBMB-GFCCVEGCSA-N 2 2 219.332 2.142 20 0 BEADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccnc1 ZINC000091264082 345590563 /nfs/dbraw/zinc/59/05/63/345590563.db2.gz OISAIVIGZBVPBO-CQSZACIVSA-N 2 2 244.342 2.265 20 0 BEADLP CSc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000641711688 362621587 /nfs/dbraw/zinc/62/15/87/362621587.db2.gz BUNRQIAPTRQLPR-JTQLQIEISA-N 2 2 242.388 2.431 20 0 BEADLP Fc1ccccc1C1([NH2+]C2CC[NH2+]CC2)CC1 ZINC000215641957 345742842 /nfs/dbraw/zinc/74/28/42/345742842.db2.gz JCPPFPNZIINPBK-UHFFFAOYSA-N 2 2 234.318 2.156 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1F ZINC000226036499 345750952 /nfs/dbraw/zinc/75/09/52/345750952.db2.gz NLILXBKFJBZLAK-UWVGGRQHSA-N 2 2 210.296 2.214 20 0 BEADLP Clc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000149823862 345716910 /nfs/dbraw/zinc/71/69/10/345716910.db2.gz JNJNPCDEIGJTBF-NSHDSACASA-N 2 2 245.153 2.445 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])o1 ZINC000562960212 345840015 /nfs/dbraw/zinc/84/00/15/345840015.db2.gz GHXHFLPVRTVJDG-IXOXFDKPSA-N 2 2 234.343 2.372 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])o1 ZINC000562960215 345840039 /nfs/dbraw/zinc/84/00/39/345840039.db2.gz GHXHFLPVRTVJDG-MGAJPHDKSA-N 2 2 234.343 2.372 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166877778 345925445 /nfs/dbraw/zinc/92/54/45/345925445.db2.gz XRUDINQYLIRQCG-NEPJUHHUSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166877778 345925446 /nfs/dbraw/zinc/92/54/46/345925446.db2.gz XRUDINQYLIRQCG-NEPJUHHUSA-N 2 2 238.400 2.363 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394743039 323099206 /nfs/dbraw/zinc/09/92/06/323099206.db2.gz SWGRJGCXNBDEJH-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394743039 323099207 /nfs/dbraw/zinc/09/92/07/323099207.db2.gz SWGRJGCXNBDEJH-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166889845 345943076 /nfs/dbraw/zinc/94/30/76/345943076.db2.gz FSEAPMJZVPWKTA-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166889845 345943079 /nfs/dbraw/zinc/94/30/79/345943079.db2.gz FSEAPMJZVPWKTA-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000166885510 187363514 /nfs/dbraw/zinc/36/35/14/187363514.db2.gz GKCZGCCKYLYJMP-ZYHUDNBSSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000166885510 187363515 /nfs/dbraw/zinc/36/35/15/187363515.db2.gz GKCZGCCKYLYJMP-ZYHUDNBSSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628233531 346192594 /nfs/dbraw/zinc/19/25/94/346192594.db2.gz IIQDENRJFHLRGQ-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628233531 346192595 /nfs/dbraw/zinc/19/25/95/346192595.db2.gz IIQDENRJFHLRGQ-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000336340289 346283084 /nfs/dbraw/zinc/28/30/84/346283084.db2.gz KMLHEAGEXXJJCD-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000336340289 346283087 /nfs/dbraw/zinc/28/30/87/346283087.db2.gz KMLHEAGEXXJJCD-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000336340289 346283088 /nfs/dbraw/zinc/28/30/88/346283088.db2.gz KMLHEAGEXXJJCD-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000336340289 346283090 /nfs/dbraw/zinc/28/30/90/346283090.db2.gz KMLHEAGEXXJJCD-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000336340295 346283453 /nfs/dbraw/zinc/28/34/53/346283453.db2.gz KMLHEAGEXXJJCD-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000336340295 346283456 /nfs/dbraw/zinc/28/34/56/346283456.db2.gz KMLHEAGEXXJJCD-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000336340295 346283460 /nfs/dbraw/zinc/28/34/60/346283460.db2.gz KMLHEAGEXXJJCD-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cn1 ZINC000336340295 346283469 /nfs/dbraw/zinc/28/34/69/346283469.db2.gz KMLHEAGEXXJJCD-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358282164 179033472 /nfs/dbraw/zinc/03/34/72/179033472.db2.gz BKVASGSFAVGZJQ-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358282164 179033477 /nfs/dbraw/zinc/03/34/77/179033477.db2.gz BKVASGSFAVGZJQ-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)n1 ZINC000336711666 179066333 /nfs/dbraw/zinc/06/63/33/179066333.db2.gz NZYAAWJQLYGUBO-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)n1 ZINC000336711666 179066336 /nfs/dbraw/zinc/06/63/36/179066336.db2.gz NZYAAWJQLYGUBO-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC(F)(F)C2)n1C ZINC000563440634 323125913 /nfs/dbraw/zinc/12/59/13/323125913.db2.gz NCXHSKGDJDQSFC-JTQLQIEISA-N 2 2 243.301 2.396 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000641797628 362744424 /nfs/dbraw/zinc/74/44/24/362744424.db2.gz DMTBROXJQMTGPK-JTQLQIEISA-N 2 2 220.307 2.235 20 0 BEADLP CCC(F)(F)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000641797628 362744427 /nfs/dbraw/zinc/74/44/27/362744427.db2.gz DMTBROXJQMTGPK-JTQLQIEISA-N 2 2 220.307 2.235 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccns1)C1CCCCC1 ZINC000641799883 362749664 /nfs/dbraw/zinc/74/96/64/362749664.db2.gz RZEXKZIHFKCISY-LBPRGKRZSA-N 2 2 239.388 2.140 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563438474 323125636 /nfs/dbraw/zinc/12/56/36/323125636.db2.gz DTLXIKFVDOVOQL-UWVGGRQHSA-N 2 2 209.337 2.253 20 0 BEADLP Cc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000035274955 179095593 /nfs/dbraw/zinc/09/55/93/179095593.db2.gz NLORNKKPXXLCFR-ZDUSSCGKSA-N 2 2 229.327 2.370 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1nsc2ccccc21 ZINC000641796756 362739976 /nfs/dbraw/zinc/73/99/76/362739976.db2.gz JBTRTBTWAPCIIX-UHFFFAOYSA-N 2 2 235.356 2.077 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1nsc2ccccc21 ZINC000641796756 362739983 /nfs/dbraw/zinc/73/99/83/362739983.db2.gz JBTRTBTWAPCIIX-UHFFFAOYSA-N 2 2 235.356 2.077 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000641797153 362741517 /nfs/dbraw/zinc/74/15/17/362741517.db2.gz WBNPSWSEIXXOMS-NXEZZACHSA-N 2 2 220.307 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000641797153 362741520 /nfs/dbraw/zinc/74/15/20/362741520.db2.gz WBNPSWSEIXXOMS-NXEZZACHSA-N 2 2 220.307 2.091 20 0 BEADLP Cc1cccc(C[C@@H]([NH2+]CC[NH+](C)C)C2CC2)c1 ZINC000273249218 179104724 /nfs/dbraw/zinc/10/47/24/179104724.db2.gz IWTWLSVWUXHUOU-MRXNPFEDSA-N 2 2 246.398 2.467 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000580062459 346502274 /nfs/dbraw/zinc/50/22/74/346502274.db2.gz FCJBLANSYTWOKO-BXUZGUMPSA-N 2 2 248.370 2.392 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806404 362764225 /nfs/dbraw/zinc/76/42/25/362764225.db2.gz RQZBKVHLRBCZFM-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806404 362764231 /nfs/dbraw/zinc/76/42/31/362764231.db2.gz RQZBKVHLRBCZFM-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000380065342 365836465 /nfs/dbraw/zinc/83/64/65/365836465.db2.gz BVCDBQFCCWIOAL-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000380065342 365836471 /nfs/dbraw/zinc/83/64/71/365836471.db2.gz BVCDBQFCCWIOAL-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000380065341 365836483 /nfs/dbraw/zinc/83/64/83/365836483.db2.gz BVCDBQFCCWIOAL-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000380065341 365836487 /nfs/dbraw/zinc/83/64/87/365836487.db2.gz BVCDBQFCCWIOAL-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H](C)C1 ZINC000166760920 346689051 /nfs/dbraw/zinc/68/90/51/346689051.db2.gz OIHOSFAKCWWKRQ-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP CC[N@H+]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H](C)C1 ZINC000166760920 346689057 /nfs/dbraw/zinc/68/90/57/346689057.db2.gz OIHOSFAKCWWKRQ-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP CCc1[nH+]ccn1Cc1cc[nH+]c(C)c1 ZINC000621994956 370650262 /nfs/dbraw/zinc/65/02/62/370650262.db2.gz OMDCKLXTIDDODN-UHFFFAOYSA-N 2 2 201.273 2.197 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688380 346806859 /nfs/dbraw/zinc/80/68/59/346806859.db2.gz GQIUXJHTFIUHML-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688380 346806861 /nfs/dbraw/zinc/80/68/61/346806861.db2.gz GQIUXJHTFIUHML-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044557630 179166908 /nfs/dbraw/zinc/16/69/08/179166908.db2.gz HRYWMEIAGQGGDT-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1cccc(OCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044557630 179166911 /nfs/dbraw/zinc/16/69/11/179166911.db2.gz HRYWMEIAGQGGDT-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP c1cn(CCC[NH+]2C[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000183186022 347121466 /nfs/dbraw/zinc/12/14/66/347121466.db2.gz OCMYOVYVXICBPV-CHWSQXEVSA-N 2 2 219.332 2.005 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000310038020 347221423 /nfs/dbraw/zinc/22/14/23/347221423.db2.gz VRTNLYPELSOAOZ-NEPJUHHUSA-N 2 2 221.348 2.366 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCCC1 ZINC000054077603 347436639 /nfs/dbraw/zinc/43/66/39/347436639.db2.gz OXRUARUZGFBBFA-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccs1 ZINC000020126840 259395748 /nfs/dbraw/zinc/39/57/48/259395748.db2.gz VAJKBPMXONDBIC-LLVKDONJSA-N 2 2 224.373 2.495 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000591082325 347616357 /nfs/dbraw/zinc/61/63/57/347616357.db2.gz OBIVATKRHZAVOO-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000591082325 347616358 /nfs/dbraw/zinc/61/63/58/347616358.db2.gz OBIVATKRHZAVOO-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335640865 179283017 /nfs/dbraw/zinc/28/30/17/179283017.db2.gz BRGWCHZRMYMULT-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000287187288 179290773 /nfs/dbraw/zinc/29/07/73/179290773.db2.gz VPEHBZMMTWMTHU-KBPBESRZSA-N 2 2 234.387 2.466 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358002520 179291403 /nfs/dbraw/zinc/29/14/03/179291403.db2.gz GHYJWQNQQKIGBZ-DZKIICNBSA-N 2 2 246.398 2.466 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358002520 179291405 /nfs/dbraw/zinc/29/14/05/179291405.db2.gz GHYJWQNQQKIGBZ-DZKIICNBSA-N 2 2 246.398 2.466 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+]CC[NH+](C)C ZINC000021963128 179321309 /nfs/dbraw/zinc/32/13/09/179321309.db2.gz CEFXLKACXVANQG-GFCCVEGCSA-N 2 2 206.333 2.207 20 0 BEADLP Cc1cccn2c(C[NH2+][C@@H]3CCSC3)c[nH+]c12 ZINC000336632738 179355412 /nfs/dbraw/zinc/35/54/12/179355412.db2.gz VLFMZODXVCYPQY-LLVKDONJSA-N 2 2 247.367 2.238 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC1([NH+](C)C)CCC1 ZINC000595039905 348176879 /nfs/dbraw/zinc/17/68/79/348176879.db2.gz HNNKGAVDWNZTAN-LLVKDONJSA-N 2 2 248.411 2.152 20 0 BEADLP Cc1cccnc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000093175725 179371417 /nfs/dbraw/zinc/37/14/17/179371417.db2.gz MPAAGWVEBJMRCF-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000093175725 179371419 /nfs/dbraw/zinc/37/14/19/179371419.db2.gz MPAAGWVEBJMRCF-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000093175725 179371424 /nfs/dbraw/zinc/37/14/24/179371424.db2.gz MPAAGWVEBJMRCF-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000093175725 179371427 /nfs/dbraw/zinc/37/14/27/179371427.db2.gz MPAAGWVEBJMRCF-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000071339142 179382636 /nfs/dbraw/zinc/38/26/36/179382636.db2.gz UWZVBUICFODJCZ-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000301634212 179433449 /nfs/dbraw/zinc/43/34/49/179433449.db2.gz KDEBQISNOMCNDV-ZDUSSCGKSA-N 2 2 231.343 2.065 20 0 BEADLP CSC1(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000597179629 348681707 /nfs/dbraw/zinc/68/17/07/348681707.db2.gz KNOXFWCLGQELRC-LLVKDONJSA-N 2 2 242.432 2.344 20 0 BEADLP CSC1(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000597179629 348681712 /nfs/dbraw/zinc/68/17/12/348681712.db2.gz KNOXFWCLGQELRC-LLVKDONJSA-N 2 2 242.432 2.344 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070327239 490208436 /nfs/dbraw/zinc/20/84/36/490208436.db2.gz XJZJVJRVOZDRKK-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250998318 538029609 /nfs/dbraw/zinc/02/96/09/538029609.db2.gz IMIONTBNBXLXGC-HIFRSBDPSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250998318 538029617 /nfs/dbraw/zinc/02/96/17/538029617.db2.gz IMIONTBNBXLXGC-HIFRSBDPSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)n1 ZINC000070732520 179794314 /nfs/dbraw/zinc/79/43/14/179794314.db2.gz ARCBSKBOGISRLJ-SNVBAGLBSA-N 2 2 239.388 2.196 20 0 BEADLP c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000250235459 349168528 /nfs/dbraw/zinc/16/85/28/349168528.db2.gz DTZSZIPXCASWMP-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000250235459 349168530 /nfs/dbraw/zinc/16/85/30/349168530.db2.gz DTZSZIPXCASWMP-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CC1(C)CC1 ZINC000309120718 350036402 /nfs/dbraw/zinc/03/64/02/350036402.db2.gz NQLFJEDBWXLJHZ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CC1(C)CC1 ZINC000309120718 350036405 /nfs/dbraw/zinc/03/64/05/350036405.db2.gz NQLFJEDBWXLJHZ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1nccs1 ZINC000070733416 350053887 /nfs/dbraw/zinc/05/38/87/350053887.db2.gz VYYBQYBVHQAPQX-JTQLQIEISA-N 2 2 227.377 2.182 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000049553983 180052106 /nfs/dbraw/zinc/05/21/06/180052106.db2.gz YZIJKFKBCCJHGM-UWVGGRQHSA-N 2 2 241.404 2.442 20 0 BEADLP CCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000132032528 191023546 /nfs/dbraw/zinc/02/35/46/191023546.db2.gz PKSSPDURUMOHKV-VXGBXAGGSA-N 2 2 210.365 2.391 20 0 BEADLP CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132032528 191023549 /nfs/dbraw/zinc/02/35/49/191023549.db2.gz PKSSPDURUMOHKV-VXGBXAGGSA-N 2 2 210.365 2.391 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000132138721 191025283 /nfs/dbraw/zinc/02/52/83/191025283.db2.gz MTEAFTDUOKWXHB-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000132138721 191025286 /nfs/dbraw/zinc/02/52/86/191025286.db2.gz MTEAFTDUOKWXHB-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C(C)C ZINC000020186697 180104253 /nfs/dbraw/zinc/10/42/53/180104253.db2.gz FHCJDEFMMGAOPW-UHFFFAOYSA-N 2 2 217.316 2.343 20 0 BEADLP Cc1nc(NC2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000361150642 180198772 /nfs/dbraw/zinc/19/87/72/180198772.db2.gz QNNZALKAAHKSOW-UHFFFAOYSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266458148 180203221 /nfs/dbraw/zinc/20/32/21/180203221.db2.gz YHZKZFQVXFELLR-RYUDHWBXSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266458148 180203223 /nfs/dbraw/zinc/20/32/23/180203223.db2.gz YHZKZFQVXFELLR-RYUDHWBXSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1[nH+]cccc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226832442 180225837 /nfs/dbraw/zinc/22/58/37/180225837.db2.gz GHJCZCWODRTUHJ-CMPLNLGQSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1[nH+]cccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226832442 180225840 /nfs/dbraw/zinc/22/58/40/180225840.db2.gz GHJCZCWODRTUHJ-CMPLNLGQSA-N 2 2 219.332 2.285 20 0 BEADLP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386229667 362951957 /nfs/dbraw/zinc/95/19/57/362951957.db2.gz LXYKHXLBIUXRNU-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386229667 362951964 /nfs/dbraw/zinc/95/19/64/362951964.db2.gz LXYKHXLBIUXRNU-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C ZINC000299056004 180250636 /nfs/dbraw/zinc/25/06/36/180250636.db2.gz RGGYAOYJMUKMCA-LLVKDONJSA-N 2 2 207.321 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C ZINC000299056004 180250639 /nfs/dbraw/zinc/25/06/39/180250639.db2.gz RGGYAOYJMUKMCA-LLVKDONJSA-N 2 2 207.321 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C ZINC000299056009 180250948 /nfs/dbraw/zinc/25/09/48/180250948.db2.gz RGGYAOYJMUKMCA-NSHDSACASA-N 2 2 207.321 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C ZINC000299056009 180250950 /nfs/dbraw/zinc/25/09/50/180250950.db2.gz RGGYAOYJMUKMCA-NSHDSACASA-N 2 2 207.321 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336303060 180253605 /nfs/dbraw/zinc/25/36/05/180253605.db2.gz WTEZCQRNVWBOBD-SNVBAGLBSA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000336303060 180253608 /nfs/dbraw/zinc/25/36/08/180253608.db2.gz WTEZCQRNVWBOBD-SNVBAGLBSA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCSCC[C@@H]1C ZINC000286293895 180254577 /nfs/dbraw/zinc/25/45/77/180254577.db2.gz VFKNOSFJUOERFW-NSHDSACASA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCSCC[C@@H]1C ZINC000286293895 180254579 /nfs/dbraw/zinc/25/45/79/180254579.db2.gz VFKNOSFJUOERFW-NSHDSACASA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000309059828 180255930 /nfs/dbraw/zinc/25/59/30/180255930.db2.gz SASBYMACLTYTOA-RYUDHWBXSA-N 2 2 221.348 2.169 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000252468341 538088643 /nfs/dbraw/zinc/08/86/43/538088643.db2.gz KWTZCSMTJDTAOI-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000252468341 538088645 /nfs/dbraw/zinc/08/86/45/538088645.db2.gz KWTZCSMTJDTAOI-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]cn(CCCCn2cc[nH+]c2C)c1C ZINC000120817411 180286435 /nfs/dbraw/zinc/28/64/35/180286435.db2.gz ZNTUHJGAYXKGHG-UHFFFAOYSA-N 2 2 232.331 2.485 20 0 BEADLP Cc1ncsc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000228290379 180315255 /nfs/dbraw/zinc/31/52/55/180315255.db2.gz YFBTXLNCFBMDLU-ONGXEEELSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000228290379 180315256 /nfs/dbraw/zinc/31/52/56/180315256.db2.gz YFBTXLNCFBMDLU-ONGXEEELSA-N 2 2 239.388 2.153 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC000309217579 323328947 /nfs/dbraw/zinc/32/89/47/323328947.db2.gz UOWZJTVYBWPFGS-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)C ZINC000309217579 323328951 /nfs/dbraw/zinc/32/89/51/323328951.db2.gz UOWZJTVYBWPFGS-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CCc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc[nH+]1 ZINC000040765239 350395029 /nfs/dbraw/zinc/39/50/29/350395029.db2.gz SAUDDFCDHKHYKF-LBPRGKRZSA-N 2 2 248.374 2.181 20 0 BEADLP CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc[nH+]1 ZINC000040765239 350395031 /nfs/dbraw/zinc/39/50/31/350395031.db2.gz SAUDDFCDHKHYKF-LBPRGKRZSA-N 2 2 248.374 2.181 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC=CCC1 ZINC000035275147 358456589 /nfs/dbraw/zinc/45/65/89/358456589.db2.gz WXACJPFUULJDEF-STQMWFEESA-N 2 2 219.332 2.218 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000309360443 323344088 /nfs/dbraw/zinc/34/40/88/323344088.db2.gz AKTPZPUUMHDKLY-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CC ZINC000070558518 350538209 /nfs/dbraw/zinc/53/82/09/350538209.db2.gz SBTNRNRGEAEKCR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000070558518 350538213 /nfs/dbraw/zinc/53/82/13/350538213.db2.gz SBTNRNRGEAEKCR-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000422788065 192469710 /nfs/dbraw/zinc/46/97/10/192469710.db2.gz VDTZVXQKUBRKFI-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397913350 350606688 /nfs/dbraw/zinc/60/66/88/350606688.db2.gz BWBPHFBQYRRJPR-LBPRGKRZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616601116 350781677 /nfs/dbraw/zinc/78/16/77/350781677.db2.gz OFWWVUVVQRYGHI-ZDUSSCGKSA-N 2 2 248.370 2.223 20 0 BEADLP COc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616601116 350781680 /nfs/dbraw/zinc/78/16/80/350781680.db2.gz OFWWVUVVQRYGHI-ZDUSSCGKSA-N 2 2 248.370 2.223 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000053344124 191124548 /nfs/dbraw/zinc/12/45/48/191124548.db2.gz ACHDOALILUCYBD-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000053344124 191124551 /nfs/dbraw/zinc/12/45/51/191124551.db2.gz ACHDOALILUCYBD-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000248535656 350862179 /nfs/dbraw/zinc/86/21/79/350862179.db2.gz YOAGPLXSRPVHPL-TZMCWYRMSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000248535656 350862183 /nfs/dbraw/zinc/86/21/83/350862183.db2.gz YOAGPLXSRPVHPL-TZMCWYRMSA-N 2 2 233.359 2.217 20 0 BEADLP C/C=C/C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000623738961 350881332 /nfs/dbraw/zinc/88/13/32/350881332.db2.gz CZXSWRKHNOBCQN-ONEGZZNKSA-N 2 2 215.300 2.308 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000336676844 350885239 /nfs/dbraw/zinc/88/52/39/350885239.db2.gz BYGKTXOULSXSPM-VXGBXAGGSA-N 2 2 221.348 2.222 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000336687536 350960524 /nfs/dbraw/zinc/96/05/24/350960524.db2.gz LJUCEOMVVSMNBQ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000623572975 363003870 /nfs/dbraw/zinc/00/38/70/363003870.db2.gz TZYQNNRHEUOHEK-MXAVVETBSA-N 2 2 236.403 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000623572975 363003877 /nfs/dbraw/zinc/00/38/77/363003877.db2.gz TZYQNNRHEUOHEK-MXAVVETBSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)n1 ZINC000386552805 363013669 /nfs/dbraw/zinc/01/36/69/363013669.db2.gz HHCSDRGHUWSMML-GXTWGEPZSA-N 2 2 233.359 2.010 20 0 BEADLP CC[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000264195091 351225923 /nfs/dbraw/zinc/22/59/23/351225923.db2.gz NSMCYUIIBFSJKC-UHFFFAOYSA-N 2 2 244.342 2.095 20 0 BEADLP CC[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000264195091 351225924 /nfs/dbraw/zinc/22/59/24/351225924.db2.gz NSMCYUIIBFSJKC-UHFFFAOYSA-N 2 2 244.342 2.095 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000266348025 351290045 /nfs/dbraw/zinc/29/00/45/351290045.db2.gz IZOUWDXOJZFSMY-GFCCVEGCSA-N 2 2 234.347 2.071 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000266348025 351290047 /nfs/dbraw/zinc/29/00/47/351290047.db2.gz IZOUWDXOJZFSMY-GFCCVEGCSA-N 2 2 234.347 2.071 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987301 351404355 /nfs/dbraw/zinc/40/43/55/351404355.db2.gz YOHBDVNKHVUXCV-JSGCOSHPSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987301 351404358 /nfs/dbraw/zinc/40/43/58/351404358.db2.gz YOHBDVNKHVUXCV-JSGCOSHPSA-N 2 2 218.344 2.259 20 0 BEADLP CCC[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)OCC ZINC000623599969 363037670 /nfs/dbraw/zinc/03/76/70/363037670.db2.gz WSMQOLLWYRWTRJ-CYBMUJFWSA-N 2 2 239.363 2.023 20 0 BEADLP c1cn(C2CC[NH+](CCC[C@@H]3CCO3)CC2)c[nH+]1 ZINC000637982348 351856785 /nfs/dbraw/zinc/85/67/85/351856785.db2.gz BVTDITXEISKEOF-CQSZACIVSA-N 2 2 249.358 2.089 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340238777 352103197 /nfs/dbraw/zinc/10/31/97/352103197.db2.gz KVVDTYWUPBRVHC-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340238777 352103199 /nfs/dbraw/zinc/10/31/99/352103199.db2.gz KVVDTYWUPBRVHC-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP COc1cccc2c(NCC(C)(C)[NH3+])cc[nH+]c12 ZINC000420194572 192174270 /nfs/dbraw/zinc/17/42/70/192174270.db2.gz FIUZPCJEYFVSPP-UHFFFAOYSA-N 2 2 245.326 2.393 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362700 352173308 /nfs/dbraw/zinc/17/33/08/352173308.db2.gz CJRFKPSAJYQSBH-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362700 352173312 /nfs/dbraw/zinc/17/33/12/352173312.db2.gz CJRFKPSAJYQSBH-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414900136 352175175 /nfs/dbraw/zinc/17/51/75/352175175.db2.gz VQTXHJWLXKXSEU-AWEZNQCLSA-N 2 2 248.370 2.301 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC1(F)F ZINC000638404885 352211419 /nfs/dbraw/zinc/21/14/19/352211419.db2.gz OWWABOGWMZJSPY-GHMZBOCLSA-N 2 2 243.301 2.297 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc2ccccc2o1 ZINC000638462923 352273969 /nfs/dbraw/zinc/27/39/69/352273969.db2.gz AOFVWGMLLHBWRJ-NSHDSACASA-N 2 2 247.342 2.258 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CC1 ZINC000638478714 352290029 /nfs/dbraw/zinc/29/00/29/352290029.db2.gz LAJQNYABXVIATN-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CC1 ZINC000638478714 352290033 /nfs/dbraw/zinc/29/00/33/352290033.db2.gz LAJQNYABXVIATN-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1CC1(F)F)C1CC1 ZINC000638478712 352290091 /nfs/dbraw/zinc/29/00/91/352290091.db2.gz LAJQNYABXVIATN-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1CC1(F)F)C1CC1 ZINC000638478712 352290095 /nfs/dbraw/zinc/29/00/95/352290095.db2.gz LAJQNYABXVIATN-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340478790 352383657 /nfs/dbraw/zinc/38/36/57/352383657.db2.gz MGNSCMZGLSBDDD-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340478790 352383659 /nfs/dbraw/zinc/38/36/59/352383659.db2.gz MGNSCMZGLSBDDD-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP C([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638582301 352413305 /nfs/dbraw/zinc/41/33/05/352413305.db2.gz MLAWMXHQSRHCCE-XGUBFFRZSA-N 2 2 234.387 2.106 20 0 BEADLP C([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638582301 352413307 /nfs/dbraw/zinc/41/33/07/352413307.db2.gz MLAWMXHQSRHCCE-XGUBFFRZSA-N 2 2 234.387 2.106 20 0 BEADLP C([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582504 352413388 /nfs/dbraw/zinc/41/33/88/352413388.db2.gz PBOYNYHRGHNYQG-FZKCQIBNSA-N 2 2 248.414 2.497 20 0 BEADLP C([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582504 352413390 /nfs/dbraw/zinc/41/33/90/352413390.db2.gz PBOYNYHRGHNYQG-FZKCQIBNSA-N 2 2 248.414 2.497 20 0 BEADLP C([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582505 352413793 /nfs/dbraw/zinc/41/37/93/352413793.db2.gz PBOYNYHRGHNYQG-LVQVYYBASA-N 2 2 248.414 2.497 20 0 BEADLP C([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582505 352413797 /nfs/dbraw/zinc/41/37/97/352413797.db2.gz PBOYNYHRGHNYQG-LVQVYYBASA-N 2 2 248.414 2.497 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC1(F)F ZINC000638582200 352415024 /nfs/dbraw/zinc/41/50/24/352415024.db2.gz JLGKNKPGGMRMAD-DLOVCJGASA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC1(F)F ZINC000638582200 352415026 /nfs/dbraw/zinc/41/50/26/352415026.db2.gz JLGKNKPGGMRMAD-DLOVCJGASA-N 2 2 244.329 2.104 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CC)OC ZINC000638602595 352438467 /nfs/dbraw/zinc/43/84/67/352438467.db2.gz DQSBTBZKYNDFSY-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CC)OC ZINC000638602595 352438471 /nfs/dbraw/zinc/43/84/71/352438471.db2.gz DQSBTBZKYNDFSY-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638603038 352439370 /nfs/dbraw/zinc/43/93/70/352439370.db2.gz GXXJAOTWFCXGIH-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000638603038 352439375 /nfs/dbraw/zinc/43/93/75/352439375.db2.gz GXXJAOTWFCXGIH-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638603049 352439602 /nfs/dbraw/zinc/43/96/02/352439602.db2.gz GXXJAOTWFCXGIH-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000638603049 352439603 /nfs/dbraw/zinc/43/96/03/352439603.db2.gz GXXJAOTWFCXGIH-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@](C)(CC)OC ZINC000638604694 352440288 /nfs/dbraw/zinc/44/02/88/352440288.db2.gz LTJZRHHKAWZZAZ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@](C)(CC)OC ZINC000638604694 352440291 /nfs/dbraw/zinc/44/02/91/352440291.db2.gz LTJZRHHKAWZZAZ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)C1(C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000638575797 352403193 /nfs/dbraw/zinc/40/31/93/352403193.db2.gz RYZGUVQFMYVDRR-GFCCVEGCSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1(C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000638575797 352403197 /nfs/dbraw/zinc/40/31/97/352403197.db2.gz RYZGUVQFMYVDRR-GFCCVEGCSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[N@H+](C)C1CC1 ZINC000638576339 352406775 /nfs/dbraw/zinc/40/67/75/352406775.db2.gz ZDURCFCQPSPQFF-RVMXOQNASA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000638576339 352406779 /nfs/dbraw/zinc/40/67/79/352406779.db2.gz ZDURCFCQPSPQFF-RVMXOQNASA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)o2)[C@@H](C)C1 ZINC000607957031 352467995 /nfs/dbraw/zinc/46/79/95/352467995.db2.gz RLGDZZRZJQZXHM-FZMZJTMJSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)o2)[C@@H](C)C1 ZINC000607957031 352467998 /nfs/dbraw/zinc/46/79/98/352467998.db2.gz RLGDZZRZJQZXHM-FZMZJTMJSA-N 2 2 236.359 2.408 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043326737 352637508 /nfs/dbraw/zinc/63/75/08/352637508.db2.gz VZJFADGTFMELPP-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000252180638 363194191 /nfs/dbraw/zinc/19/41/91/363194191.db2.gz SVQQXSBCZXHYKP-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP CCCC[C@H](C[NH3+])Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000420213954 192176597 /nfs/dbraw/zinc/17/65/97/192176597.db2.gz ZIRBNNFEQBJUPC-GFCCVEGCSA-N 2 2 248.374 2.014 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000334191622 352782641 /nfs/dbraw/zinc/78/26/41/352782641.db2.gz HSEBXALVNUWLPU-ZYHUDNBSSA-N 2 2 247.367 2.175 20 0 BEADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCCCO3)CC2)[nH]1 ZINC000334194982 352787558 /nfs/dbraw/zinc/78/75/58/352787558.db2.gz JICNBWPOKZFUAK-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]cc1Cl ZINC000334237193 352855640 /nfs/dbraw/zinc/85/56/40/352855640.db2.gz LVCFBGYLRHATNQ-VHSXEESVSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]cc1Cl ZINC000334237193 352855641 /nfs/dbraw/zinc/85/56/41/352855641.db2.gz LVCFBGYLRHATNQ-VHSXEESVSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000342847524 352873131 /nfs/dbraw/zinc/87/31/31/352873131.db2.gz CUCGJTFDCULUOH-ZFWWWQNUSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000342847524 352873138 /nfs/dbraw/zinc/87/31/38/352873138.db2.gz CUCGJTFDCULUOH-ZFWWWQNUSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000342847522 352873425 /nfs/dbraw/zinc/87/34/25/352873425.db2.gz CUCGJTFDCULUOH-HIFRSBDPSA-N 2 2 247.386 2.028 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000342847522 352873427 /nfs/dbraw/zinc/87/34/27/352873427.db2.gz CUCGJTFDCULUOH-HIFRSBDPSA-N 2 2 247.386 2.028 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000334328389 352964995 /nfs/dbraw/zinc/96/49/95/352964995.db2.gz MUQXJGMFOBMGCQ-VXGBXAGGSA-N 2 2 231.343 2.120 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)CC1(C)C ZINC000334396476 353069455 /nfs/dbraw/zinc/06/94/55/353069455.db2.gz WKJBUBKVIKKCTP-NSHDSACASA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000334396476 353069456 /nfs/dbraw/zinc/06/94/56/353069456.db2.gz WKJBUBKVIKKCTP-NSHDSACASA-N 2 2 221.348 2.312 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC000638865666 353039770 /nfs/dbraw/zinc/03/97/70/353039770.db2.gz KBZLXKMPCICVRO-KGLIPLIRSA-N 2 2 246.398 2.331 20 0 BEADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000292257253 188037154 /nfs/dbraw/zinc/03/71/54/188037154.db2.gz YHWQYLFJQOZIBE-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000292257253 188037155 /nfs/dbraw/zinc/03/71/55/188037155.db2.gz YHWQYLFJQOZIBE-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000292257253 188037157 /nfs/dbraw/zinc/03/71/57/188037157.db2.gz YHWQYLFJQOZIBE-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000292257253 188037158 /nfs/dbraw/zinc/03/71/58/188037158.db2.gz YHWQYLFJQOZIBE-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000157191779 538111223 /nfs/dbraw/zinc/11/12/23/538111223.db2.gz JQABIMGWLJDMDI-GVXVVHGQSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000157191779 538111224 /nfs/dbraw/zinc/11/12/24/538111224.db2.gz JQABIMGWLJDMDI-GVXVVHGQSA-N 2 2 222.376 2.390 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000328238899 353245745 /nfs/dbraw/zinc/24/57/45/353245745.db2.gz HROVKUAWJDJPKF-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000328238899 353245746 /nfs/dbraw/zinc/24/57/46/353245746.db2.gz HROVKUAWJDJPKF-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336768038 353277052 /nfs/dbraw/zinc/27/70/52/353277052.db2.gz UGCXGLXPXQNOEH-RWMBFGLXSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336768038 353277054 /nfs/dbraw/zinc/27/70/54/353277054.db2.gz UGCXGLXPXQNOEH-RWMBFGLXSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H](F)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156907 188233356 /nfs/dbraw/zinc/23/33/56/188233356.db2.gz UCGIOCNOMCNYNG-FKJOKYEKSA-N 2 2 228.355 2.292 20 0 BEADLP CC[C@@H](F)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156907 188233358 /nfs/dbraw/zinc/23/33/58/188233358.db2.gz UCGIOCNOMCNYNG-FKJOKYEKSA-N 2 2 228.355 2.292 20 0 BEADLP CC[C@@H](F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353156907 188233359 /nfs/dbraw/zinc/23/33/59/188233359.db2.gz UCGIOCNOMCNYNG-FKJOKYEKSA-N 2 2 228.355 2.292 20 0 BEADLP CC[C@@H](F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156907 188233361 /nfs/dbraw/zinc/23/33/61/188233361.db2.gz UCGIOCNOMCNYNG-FKJOKYEKSA-N 2 2 228.355 2.292 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@H]1[NH3+] ZINC000251929996 353293479 /nfs/dbraw/zinc/29/34/79/353293479.db2.gz YRKBCTLTJINTSN-BXKDBHETSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@H]1[NH3+] ZINC000251929996 353293483 /nfs/dbraw/zinc/29/34/83/353293483.db2.gz YRKBCTLTJINTSN-BXKDBHETSA-N 2 2 240.297 2.134 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309998803 188325493 /nfs/dbraw/zinc/32/54/93/188325493.db2.gz DDTAIMBKWHYDIY-QWRGUYRKSA-N 2 2 221.348 2.435 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309998803 188325495 /nfs/dbraw/zinc/32/54/95/188325495.db2.gz DDTAIMBKWHYDIY-QWRGUYRKSA-N 2 2 221.348 2.435 20 0 BEADLP F[C@@H]1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000334502591 353342487 /nfs/dbraw/zinc/34/24/87/353342487.db2.gz FIFADGXPSAVRSQ-GHMZBOCLSA-N 2 2 233.290 2.315 20 0 BEADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000165422486 188337516 /nfs/dbraw/zinc/33/75/16/188337516.db2.gz VXOJNCYAYSDWLR-VXGBXAGGSA-N 2 2 222.332 2.242 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC1(F)F ZINC000639085219 353423558 /nfs/dbraw/zinc/42/35/58/353423558.db2.gz DFFNADOPBRFBEU-VHSXEESVSA-N 2 2 232.318 2.104 20 0 BEADLP CC(C)C1(C[NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000639086515 353428092 /nfs/dbraw/zinc/42/80/92/353428092.db2.gz VXTZNNBYVLCPKS-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337990319 188365141 /nfs/dbraw/zinc/36/51/41/188365141.db2.gz BDZWLFNQBPWEIO-AEGPPILISA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000337990319 188365143 /nfs/dbraw/zinc/36/51/43/188365143.db2.gz BDZWLFNQBPWEIO-AEGPPILISA-N 2 2 234.387 2.391 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccns2)CC1 ZINC000639106201 353621356 /nfs/dbraw/zinc/62/13/56/353621356.db2.gz XAWQKKHYQHAUEQ-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccns2)CC1 ZINC000639106201 353621360 /nfs/dbraw/zinc/62/13/60/353621360.db2.gz XAWQKKHYQHAUEQ-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000149328572 181004699 /nfs/dbraw/zinc/00/46/99/181004699.db2.gz YSOHWDHGZLJVTK-CQSZACIVSA-N 2 2 245.301 2.299 20 0 BEADLP Fc1cccc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000163434797 181005904 /nfs/dbraw/zinc/00/59/04/181005904.db2.gz WSRAMDXXIWLNQH-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Fc1cccc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000163434797 181005907 /nfs/dbraw/zinc/00/59/07/181005907.db2.gz WSRAMDXXIWLNQH-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000343633815 353948868 /nfs/dbraw/zinc/94/88/68/353948868.db2.gz DMRKFBBTOHDCHN-KGLIPLIRSA-N 2 2 245.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000343633816 353948898 /nfs/dbraw/zinc/94/88/98/353948898.db2.gz DMRKFBBTOHDCHN-UONOGXRCSA-N 2 2 245.370 2.168 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000343557466 353921232 /nfs/dbraw/zinc/92/12/32/353921232.db2.gz CFJMITOWHJPPKU-WFASDCNBSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000343557466 353921235 /nfs/dbraw/zinc/92/12/35/353921235.db2.gz CFJMITOWHJPPKU-WFASDCNBSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000343609642 353933110 /nfs/dbraw/zinc/93/31/10/353933110.db2.gz QBAQXAUOHDVNCT-QVHKTLOISA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000343609642 353933113 /nfs/dbraw/zinc/93/31/13/353933113.db2.gz QBAQXAUOHDVNCT-QVHKTLOISA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1CCCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000334547074 353985002 /nfs/dbraw/zinc/98/50/02/353985002.db2.gz CTLFOZNXRYOXCW-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@H]1CCCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000334547074 353985005 /nfs/dbraw/zinc/98/50/05/353985005.db2.gz CTLFOZNXRYOXCW-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)s1 ZINC000224740552 363281558 /nfs/dbraw/zinc/28/15/58/363281558.db2.gz IRQLDCKLKDUNCN-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)s1 ZINC000224740552 363281559 /nfs/dbraw/zinc/28/15/59/363281559.db2.gz IRQLDCKLKDUNCN-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000343888716 354051417 /nfs/dbraw/zinc/05/14/17/354051417.db2.gz KFJNQNHDAPWGPO-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000343888716 354051420 /nfs/dbraw/zinc/05/14/20/354051420.db2.gz KFJNQNHDAPWGPO-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[NH2+]CC1)CCC2 ZINC000334585533 354208515 /nfs/dbraw/zinc/20/85/15/354208515.db2.gz HCALJEVRXCMPQQ-HNNXBMFYSA-N 2 2 248.345 2.498 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[NH2+]CC1)CCC2 ZINC000334585533 354208519 /nfs/dbraw/zinc/20/85/19/354208519.db2.gz HCALJEVRXCMPQQ-HNNXBMFYSA-N 2 2 248.345 2.498 20 0 BEADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1c[nH+]cn1C ZINC000334616194 354302863 /nfs/dbraw/zinc/30/28/63/354302863.db2.gz PQKBJOUGZOCLRR-YGRLFVJLSA-N 2 2 243.310 2.032 20 0 BEADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1c[nH+]cn1C ZINC000334616181 354303082 /nfs/dbraw/zinc/30/30/82/354303082.db2.gz PQKBJOUGZOCLRR-HZMBPMFUSA-N 2 2 243.310 2.032 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000345045341 354458117 /nfs/dbraw/zinc/45/81/17/354458117.db2.gz ZDJLZUKATUOQBW-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000345045341 354458120 /nfs/dbraw/zinc/45/81/20/354458120.db2.gz ZDJLZUKATUOQBW-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000334746927 354471356 /nfs/dbraw/zinc/47/13/56/354471356.db2.gz RABIJFBJQGTEBW-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000334746927 354471358 /nfs/dbraw/zinc/47/13/58/354471358.db2.gz RABIJFBJQGTEBW-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1oncc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334707304 354501941 /nfs/dbraw/zinc/50/19/41/354501941.db2.gz BAYUIJMXHRFFFT-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1oncc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334707304 354501947 /nfs/dbraw/zinc/50/19/47/354501947.db2.gz BAYUIJMXHRFFFT-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC000081568968 535262962 /nfs/dbraw/zinc/26/29/62/535262962.db2.gz CYFXLZRSRSCBNT-AWEZNQCLSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000081568968 535262969 /nfs/dbraw/zinc/26/29/69/535262969.db2.gz CYFXLZRSRSCBNT-AWEZNQCLSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000081568968 535262972 /nfs/dbraw/zinc/26/29/72/535262972.db2.gz CYFXLZRSRSCBNT-AWEZNQCLSA-N 2 2 247.386 2.245 20 0 BEADLP CC(C)C1CC([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000232537755 363375450 /nfs/dbraw/zinc/37/54/50/363375450.db2.gz ZXPUMWZJWLOYPD-WXRRBKDZSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)C1CC([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000232537755 363375456 /nfs/dbraw/zinc/37/54/56/363375456.db2.gz ZXPUMWZJWLOYPD-WXRRBKDZSA-N 2 2 210.365 2.105 20 0 BEADLP COC1CCC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000346329418 354898363 /nfs/dbraw/zinc/89/83/63/354898363.db2.gz MQQIDADIKLUGFL-BLYZHGLHSA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000346329418 354898365 /nfs/dbraw/zinc/89/83/65/354898365.db2.gz MQQIDADIKLUGFL-BLYZHGLHSA-N 2 2 240.391 2.016 20 0 BEADLP CC1([NH2+]Cc2ncc(Cl)s2)CC[NH2+]CC1 ZINC000335173557 354939715 /nfs/dbraw/zinc/93/97/15/354939715.db2.gz RYSRYBMGMVECPL-UHFFFAOYSA-N 2 2 245.779 2.028 20 0 BEADLP CC[N@H+](CCO)CC[NH2+][C@H](C)CCC=C(C)C ZINC000346549429 354984141 /nfs/dbraw/zinc/98/41/41/354984141.db2.gz BWSJDIHRHMWDTR-CQSZACIVSA-N 2 2 242.407 2.025 20 0 BEADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CCC=C(C)C ZINC000346549429 354984144 /nfs/dbraw/zinc/98/41/44/354984144.db2.gz BWSJDIHRHMWDTR-CQSZACIVSA-N 2 2 242.407 2.025 20 0 BEADLP CC(C)COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000346690148 355075403 /nfs/dbraw/zinc/07/54/03/355075403.db2.gz SDQLLVSEIYXHQG-CQSZACIVSA-N 2 2 248.370 2.254 20 0 BEADLP CC(C)COc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000346690148 355075407 /nfs/dbraw/zinc/07/54/07/355075407.db2.gz SDQLLVSEIYXHQG-CQSZACIVSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335218982 355057821 /nfs/dbraw/zinc/05/78/21/355057821.db2.gz SNUUBNNJQKODTA-SWLSCSKDSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC000639241962 355227677 /nfs/dbraw/zinc/22/76/77/355227677.db2.gz KPBWIZVBTXILDT-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC000639241962 355227678 /nfs/dbraw/zinc/22/76/78/355227678.db2.gz KPBWIZVBTXILDT-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP COCC[N@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000347619963 355237371 /nfs/dbraw/zinc/23/73/71/355237371.db2.gz WXBZDMHIMXMSGQ-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000347619963 355237376 /nfs/dbraw/zinc/23/73/76/355237376.db2.gz WXBZDMHIMXMSGQ-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000335280387 355244498 /nfs/dbraw/zinc/24/44/98/355244498.db2.gz MKIKFCIKPZEYPT-VXGBXAGGSA-N 2 2 239.750 2.095 20 0 BEADLP CCc1ncc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)s1 ZINC000415059878 191664794 /nfs/dbraw/zinc/66/47/94/191664794.db2.gz ZUQKPNDTYBMJLV-JTQLQIEISA-N 2 2 241.404 2.169 20 0 BEADLP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639302503 355647585 /nfs/dbraw/zinc/64/75/85/355647585.db2.gz GZPGYAIRESLXGW-GXTWGEPZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639302503 355647587 /nfs/dbraw/zinc/64/75/87/355647587.db2.gz GZPGYAIRESLXGW-GXTWGEPZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639302506 355648241 /nfs/dbraw/zinc/64/82/41/355648241.db2.gz GZPGYAIRESLXGW-TZMCWYRMSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639302506 355648245 /nfs/dbraw/zinc/64/82/45/355648245.db2.gz GZPGYAIRESLXGW-TZMCWYRMSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639305113 355654408 /nfs/dbraw/zinc/65/44/08/355654408.db2.gz JUKWSTQJYPNSMH-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639305113 355654411 /nfs/dbraw/zinc/65/44/11/355654411.db2.gz JUKWSTQJYPNSMH-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639304416 355658890 /nfs/dbraw/zinc/65/88/90/355658890.db2.gz ZKOHDSITLFJZJF-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639304416 355658892 /nfs/dbraw/zinc/65/88/92/355658892.db2.gz ZKOHDSITLFJZJF-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000353971151 355676067 /nfs/dbraw/zinc/67/60/67/355676067.db2.gz IJRHYADKCQAJFC-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000353971151 355676069 /nfs/dbraw/zinc/67/60/69/355676069.db2.gz IJRHYADKCQAJFC-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639329110 355739722 /nfs/dbraw/zinc/73/97/22/355739722.db2.gz FXGMGGFVMTWNFF-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639329110 355739725 /nfs/dbraw/zinc/73/97/25/355739725.db2.gz FXGMGGFVMTWNFF-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639331454 355748920 /nfs/dbraw/zinc/74/89/20/355748920.db2.gz YKMGYTCWEPJROZ-DCAQKATOSA-N 2 2 232.318 2.104 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639331454 355748923 /nfs/dbraw/zinc/74/89/23/355748923.db2.gz YKMGYTCWEPJROZ-DCAQKATOSA-N 2 2 232.318 2.104 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425356323 191821826 /nfs/dbraw/zinc/82/18/26/191821826.db2.gz MDZCIWJGZDEOFX-ZDEQEGDKSA-N 2 2 240.416 2.097 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000425356323 191821827 /nfs/dbraw/zinc/82/18/27/191821827.db2.gz MDZCIWJGZDEOFX-ZDEQEGDKSA-N 2 2 240.416 2.097 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C)c2)C1 ZINC000389150609 355728505 /nfs/dbraw/zinc/72/85/05/355728505.db2.gz JHJUZGZWNZDDOM-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(C)c2)C1 ZINC000389150609 355728507 /nfs/dbraw/zinc/72/85/07/355728507.db2.gz JHJUZGZWNZDDOM-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000398967896 355806851 /nfs/dbraw/zinc/80/68/51/355806851.db2.gz SNFRJFZMPVVKPN-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000389208498 355873124 /nfs/dbraw/zinc/87/31/24/355873124.db2.gz BKJCZARBMLBDAX-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000389208498 355873126 /nfs/dbraw/zinc/87/31/26/355873126.db2.gz BKJCZARBMLBDAX-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP FCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351889863 356153308 /nfs/dbraw/zinc/15/33/08/356153308.db2.gz LUBMOIFEXFJUHL-ZDUSSCGKSA-N 2 2 238.306 2.284 20 0 BEADLP CC(C)c1nc(N2CC[C@H](C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000420264321 192191186 /nfs/dbraw/zinc/19/11/86/192191186.db2.gz UTIHEPBIPFLCFE-NWDGAFQWSA-N 2 2 248.374 2.164 20 0 BEADLP CC(C)c1cc(N(C)CC[NH3+])nc(C(C)C)[nH+]1 ZINC000420273116 192196474 /nfs/dbraw/zinc/19/64/74/192196474.db2.gz CUPFTTQWYALNHJ-UHFFFAOYSA-N 2 2 236.363 2.118 20 0 BEADLP CC[NH+](CC)CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420291311 192203239 /nfs/dbraw/zinc/20/32/39/192203239.db2.gz NEWSERODBGBAFG-CQSZACIVSA-N 3 2 243.439 2.024 20 0 BEADLP CC[NH+](CC)CCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420291311 192203240 /nfs/dbraw/zinc/20/32/40/192203240.db2.gz NEWSERODBGBAFG-CQSZACIVSA-N 3 2 243.439 2.024 20 0 BEADLP C[N@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000420315493 192213192 /nfs/dbraw/zinc/21/31/92/192213192.db2.gz RPELYRDEDYLTIM-GFCCVEGCSA-N 2 2 249.358 2.126 20 0 BEADLP C[N@@H+](Cc1ncc(C2CC2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000420315493 192213193 /nfs/dbraw/zinc/21/31/93/192213193.db2.gz RPELYRDEDYLTIM-GFCCVEGCSA-N 2 2 249.358 2.126 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000420351788 192217152 /nfs/dbraw/zinc/21/71/52/192217152.db2.gz KXIOIUWMWHQRCV-QCZZGDTMSA-N 2 2 234.318 2.235 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC000420351788 192217153 /nfs/dbraw/zinc/21/71/53/192217153.db2.gz KXIOIUWMWHQRCV-QCZZGDTMSA-N 2 2 234.318 2.235 20 0 BEADLP COc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420366304 192226300 /nfs/dbraw/zinc/22/63/00/192226300.db2.gz MBEMDJWAUDYCCW-YWPYICTPSA-N 2 2 248.370 2.171 20 0 BEADLP CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](C)[NH3+] ZINC000420327772 192229979 /nfs/dbraw/zinc/22/99/79/192229979.db2.gz YRSKQQNAFXIFAW-NSHDSACASA-N 2 2 224.323 2.385 20 0 BEADLP CCC[N@H+](Cc1ccc(F)cc1)C[C@H](C)[NH3+] ZINC000420327772 192229982 /nfs/dbraw/zinc/22/99/82/192229982.db2.gz YRSKQQNAFXIFAW-NSHDSACASA-N 2 2 224.323 2.385 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccncc1Cl ZINC000420358398 192220276 /nfs/dbraw/zinc/22/02/76/192220276.db2.gz IQLAHDFJWDFFDN-LLVKDONJSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOc1ccccc1 ZINC000420362196 192221214 /nfs/dbraw/zinc/22/12/14/192221214.db2.gz ILRBSOSZUNMCSR-VNHYZAJKSA-N 2 2 248.370 2.042 20 0 BEADLP C[C@H]1OCC[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000639538848 356391667 /nfs/dbraw/zinc/39/16/67/356391667.db2.gz WHNZIBXWGNAXQX-YPMHNXCESA-N 2 2 249.358 2.014 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420363331 192223565 /nfs/dbraw/zinc/22/35/65/192223565.db2.gz JLBSKVSQOSFMLK-UMVBOHGHSA-N 2 2 232.371 2.471 20 0 BEADLP CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392619 192236326 /nfs/dbraw/zinc/23/63/26/192236326.db2.gz WDESQPRNOYGZEE-VHRBIJSZSA-N 2 2 236.334 2.351 20 0 BEADLP CC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392619 192236328 /nfs/dbraw/zinc/23/63/28/192236328.db2.gz WDESQPRNOYGZEE-VHRBIJSZSA-N 2 2 236.334 2.351 20 0 BEADLP CCCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420389879 192237198 /nfs/dbraw/zinc/23/71/98/192237198.db2.gz MJDPEBRKYFHFAT-UONOGXRCSA-N 2 2 236.334 2.352 20 0 BEADLP CCCC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420389879 192237201 /nfs/dbraw/zinc/23/72/01/192237201.db2.gz MJDPEBRKYFHFAT-UONOGXRCSA-N 2 2 236.334 2.352 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000420399455 192238725 /nfs/dbraw/zinc/23/87/25/192238725.db2.gz HVWGGJHURHIQOG-UFBFGSQYSA-N 2 2 228.286 2.353 20 0 BEADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CC[NH3+] ZINC000420374537 192232098 /nfs/dbraw/zinc/23/20/98/192232098.db2.gz NYTSCYHOKDOKFU-TZMCWYRMSA-N 2 2 248.370 2.427 20 0 BEADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CC[NH3+] ZINC000420374537 192232100 /nfs/dbraw/zinc/23/21/00/192232100.db2.gz NYTSCYHOKDOKFU-TZMCWYRMSA-N 2 2 248.370 2.427 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420377789 192233156 /nfs/dbraw/zinc/23/31/56/192233156.db2.gz WQADOBZICDLNSK-VNHYZAJKSA-N 2 2 232.371 2.471 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CC2(O)CCC2)c(C)[nH+]1 ZINC000639585372 356508234 /nfs/dbraw/zinc/50/82/34/356508234.db2.gz DGSSOCSZBOGDNW-UHFFFAOYSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CC2(O)CCC2)c(C)[nH+]1 ZINC000639585372 356508239 /nfs/dbraw/zinc/50/82/39/356508239.db2.gz DGSSOCSZBOGDNW-UHFFFAOYSA-N 2 2 248.370 2.354 20 0 BEADLP CC[C@]1(O)CC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639597387 356515639 /nfs/dbraw/zinc/51/56/39/356515639.db2.gz FKTKHDAWLMAIRI-HNNXBMFYSA-N 2 2 248.370 2.354 20 0 BEADLP CC[C@]1(O)CC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639597387 356515642 /nfs/dbraw/zinc/51/56/42/356515642.db2.gz FKTKHDAWLMAIRI-HNNXBMFYSA-N 2 2 248.370 2.354 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000179463334 366260489 /nfs/dbraw/zinc/26/04/89/366260489.db2.gz KIOHBOCDAOSVJF-ZDUSSCGKSA-N 2 2 241.338 2.330 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423014107 192539824 /nfs/dbraw/zinc/53/98/24/192539824.db2.gz OHNPXPQKGPCWDU-CABCVRRESA-N 3 2 247.386 2.040 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423014808 192540757 /nfs/dbraw/zinc/54/07/57/192540757.db2.gz JLBVWIHDYIVADJ-TYNCELHUSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000399093764 366319718 /nfs/dbraw/zinc/31/97/18/366319718.db2.gz XQLCXHCGXPLBCN-KOLCDFICSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155851990 538737845 /nfs/dbraw/zinc/73/78/45/538737845.db2.gz JUVIMKSUPKMYGI-YPMHNXCESA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155851990 538737850 /nfs/dbraw/zinc/73/78/50/538737850.db2.gz JUVIMKSUPKMYGI-YPMHNXCESA-N 2 2 238.400 2.363 20 0 BEADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[NH3+])cs1 ZINC000423195491 192620293 /nfs/dbraw/zinc/62/02/93/192620293.db2.gz SROCBNINLIGXEH-SECBINFHSA-N 2 2 227.377 2.266 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353668504 538755273 /nfs/dbraw/zinc/75/52/73/538755273.db2.gz GQYYUUFWVDBFJR-AVGNSLFASA-N 2 2 233.359 2.222 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2cc(C)nc(C)c2)n1C ZINC000582312273 357052438 /nfs/dbraw/zinc/05/24/38/357052438.db2.gz RAWOMDDIDGFEJK-UHFFFAOYSA-N 2 2 244.342 2.030 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000390653473 357109297 /nfs/dbraw/zinc/10/92/97/357109297.db2.gz PYQHRUVJOAUKKR-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000390653473 357109299 /nfs/dbraw/zinc/10/92/99/357109299.db2.gz PYQHRUVJOAUKKR-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389904830 357065095 /nfs/dbraw/zinc/06/50/95/357065095.db2.gz GFIMNPBGDKSXFU-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP CCC[C@@H](C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389904830 357065100 /nfs/dbraw/zinc/06/51/00/357065100.db2.gz GFIMNPBGDKSXFU-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000423227474 192640182 /nfs/dbraw/zinc/64/01/82/192640182.db2.gz VYMAMUDEVPONCY-RISCZKNCSA-N 2 2 218.344 2.037 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423234989 192642371 /nfs/dbraw/zinc/64/23/71/192642371.db2.gz AFHVSDDRJLMDEG-GFCCVEGCSA-N 2 2 236.359 2.264 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423243387 192649328 /nfs/dbraw/zinc/64/93/28/192649328.db2.gz WHLBKQQYYDYYKZ-DGFSRKRXSA-N 2 2 248.345 2.401 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1(SC)CCC1 ZINC000304279156 357161046 /nfs/dbraw/zinc/16/10/46/357161046.db2.gz LVXOUCCLWFQJSG-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1(SC)CCC1 ZINC000304279156 357161047 /nfs/dbraw/zinc/16/10/47/357161047.db2.gz LVXOUCCLWFQJSG-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000423249452 192651709 /nfs/dbraw/zinc/65/17/09/192651709.db2.gz SCUPMCNWFQFNAL-GFCCVEGCSA-N 2 2 206.333 2.255 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000391169750 357125566 /nfs/dbraw/zinc/12/55/66/357125566.db2.gz FQQXUPXYXKQYBK-CABCVRRESA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000391169750 357125569 /nfs/dbraw/zinc/12/55/69/357125569.db2.gz FQQXUPXYXKQYBK-CABCVRRESA-N 2 2 245.370 2.106 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000393608787 357288895 /nfs/dbraw/zinc/28/88/95/357288895.db2.gz RFHWLKZSAUSLBS-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000393608787 357288896 /nfs/dbraw/zinc/28/88/96/357288896.db2.gz RFHWLKZSAUSLBS-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423285097 192676694 /nfs/dbraw/zinc/67/66/94/192676694.db2.gz YVLQUMDMNUJNDZ-UWVGGRQHSA-N 2 2 242.388 2.391 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CS1 ZINC000628422660 357244498 /nfs/dbraw/zinc/24/44/98/357244498.db2.gz FULCXHXQEXTKEM-YNEHKIRRSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CS1 ZINC000628422660 357244500 /nfs/dbraw/zinc/24/45/00/357244500.db2.gz FULCXHXQEXTKEM-YNEHKIRRSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157658363 538833605 /nfs/dbraw/zinc/83/36/05/538833605.db2.gz HYZNNXXAGULHTO-YPMHNXCESA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157658363 538833608 /nfs/dbraw/zinc/83/36/08/538833608.db2.gz HYZNNXXAGULHTO-YPMHNXCESA-N 2 2 210.365 2.105 20 0 BEADLP Cn1c[nH+]cc1CNc1cc[nH+]c2ccccc12 ZINC000357603145 538832045 /nfs/dbraw/zinc/83/20/45/538832045.db2.gz IVECHEWLXXXZDH-UHFFFAOYSA-N 2 2 238.294 2.002 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000423298854 192687247 /nfs/dbraw/zinc/68/72/47/192687247.db2.gz OZPONGSRSZRMIS-NXEZZACHSA-N 2 2 227.377 2.311 20 0 BEADLP COCCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000395424274 357433465 /nfs/dbraw/zinc/43/34/65/357433465.db2.gz VQDAQZZGQWFBSR-CYBMUJFWSA-N 2 2 239.363 2.068 20 0 BEADLP C[C@H]1CC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000188573489 357562482 /nfs/dbraw/zinc/56/24/82/357562482.db2.gz YUBCKLUEFCAJET-JSGCOSHPSA-N 2 2 249.358 2.088 20 0 BEADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cncc(F)c1 ZINC000231434579 357614246 /nfs/dbraw/zinc/61/42/46/357614246.db2.gz XVUQLSZJAQLAMP-ZDUSSCGKSA-N 2 2 239.338 2.026 20 0 BEADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cncc(F)c1 ZINC000231434579 357614252 /nfs/dbraw/zinc/61/42/52/357614252.db2.gz XVUQLSZJAQLAMP-ZDUSSCGKSA-N 2 2 239.338 2.026 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000583257206 357732774 /nfs/dbraw/zinc/73/27/74/357732774.db2.gz PEIWJAZMZHLJJC-NSHDSACASA-N 2 2 239.338 2.259 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000191461937 357772574 /nfs/dbraw/zinc/77/25/74/357772574.db2.gz RPGFRGAMZULKFI-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000191461937 357772578 /nfs/dbraw/zinc/77/25/78/357772578.db2.gz RPGFRGAMZULKFI-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cscn2)n1C ZINC000583274855 357797787 /nfs/dbraw/zinc/79/77/87/357797787.db2.gz RLQCKJZYDUMJDX-QMMMGPOBSA-N 2 2 236.344 2.036 20 0 BEADLP Cc1c[nH+]ccc1N(C)CCCn1cc[nH+]c1 ZINC000192697795 357847815 /nfs/dbraw/zinc/84/78/15/357847815.db2.gz HOQTYVVYZZHPMJ-UHFFFAOYSA-N 2 2 230.315 2.113 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C[N@@H+]1C1CC1 ZINC000583871723 358074433 /nfs/dbraw/zinc/07/44/33/358074433.db2.gz YCCPLFNIDDYNJB-XQHKEYJVSA-N 2 2 240.366 2.482 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C[N@H+]1C1CC1 ZINC000583871723 358074435 /nfs/dbraw/zinc/07/44/35/358074435.db2.gz YCCPLFNIDDYNJB-XQHKEYJVSA-N 2 2 240.366 2.482 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](F)C2)C[N@@H+]1C1CC1 ZINC000583871722 358074569 /nfs/dbraw/zinc/07/45/69/358074569.db2.gz YCCPLFNIDDYNJB-VOAKCMCISA-N 2 2 240.366 2.482 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](F)C2)C[N@H+]1C1CC1 ZINC000583871722 358074571 /nfs/dbraw/zinc/07/45/71/358074571.db2.gz YCCPLFNIDDYNJB-VOAKCMCISA-N 2 2 240.366 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000583872593 358081870 /nfs/dbraw/zinc/08/18/70/358081870.db2.gz UXZDTOUWCODGTL-RVMXOQNASA-N 2 2 210.365 2.234 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000583872593 358081874 /nfs/dbraw/zinc/08/18/74/358081874.db2.gz UXZDTOUWCODGTL-RVMXOQNASA-N 2 2 210.365 2.234 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000221765341 358125254 /nfs/dbraw/zinc/12/52/54/358125254.db2.gz DHPONVZFNXOLAU-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000221765341 358125255 /nfs/dbraw/zinc/12/52/55/358125255.db2.gz DHPONVZFNXOLAU-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCC(C)(F)CC1 ZINC000640070794 358157183 /nfs/dbraw/zinc/15/71/83/358157183.db2.gz CMYDHWQOVYJECN-UHFFFAOYSA-N 2 2 225.311 2.016 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000225139966 358246617 /nfs/dbraw/zinc/24/66/17/358246617.db2.gz ZDURJWUOBBJZAI-SNVBAGLBSA-N 2 2 224.373 2.152 20 0 BEADLP C[C@H]1CSCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180246416 366402984 /nfs/dbraw/zinc/40/29/84/366402984.db2.gz IROUBNGMUNGJPM-NSHDSACASA-N 2 2 247.367 2.272 20 0 BEADLP C[C@H]1CSCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180246416 366402988 /nfs/dbraw/zinc/40/29/88/366402988.db2.gz IROUBNGMUNGJPM-NSHDSACASA-N 2 2 247.367 2.272 20 0 BEADLP C[C@@H]1CSCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180246397 366403160 /nfs/dbraw/zinc/40/31/60/366403160.db2.gz IROUBNGMUNGJPM-LLVKDONJSA-N 2 2 247.367 2.272 20 0 BEADLP C[C@@H]1CSCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180246397 366403164 /nfs/dbraw/zinc/40/31/64/366403164.db2.gz IROUBNGMUNGJPM-LLVKDONJSA-N 2 2 247.367 2.272 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000045094487 358400442 /nfs/dbraw/zinc/40/04/42/358400442.db2.gz ZYYRMRVMLYMRRR-ZDUSSCGKSA-N 2 2 244.342 2.409 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccncc1 ZINC000045094578 358400600 /nfs/dbraw/zinc/40/06/00/358400600.db2.gz VVXGJWARVOAGPO-CYBMUJFWSA-N 2 2 244.342 2.409 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683836 358551252 /nfs/dbraw/zinc/55/12/52/358551252.db2.gz FMZDNXSIEBHNQA-CYBMUJFWSA-N 2 2 234.318 2.152 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683836 358551255 /nfs/dbraw/zinc/55/12/55/358551255.db2.gz FMZDNXSIEBHNQA-CYBMUJFWSA-N 2 2 234.318 2.152 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683885 358551297 /nfs/dbraw/zinc/55/12/97/358551297.db2.gz YWLHVHCRXVFAJY-CQSZACIVSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683885 358551299 /nfs/dbraw/zinc/55/12/99/358551299.db2.gz YWLHVHCRXVFAJY-CQSZACIVSA-N 2 2 230.355 2.321 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000132178365 491134603 /nfs/dbraw/zinc/13/46/03/491134603.db2.gz PIFKAOWPQAVEJR-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(O)c2)CC1 ZINC000131572723 358682320 /nfs/dbraw/zinc/68/23/20/358682320.db2.gz UDGXSCPTFKFQST-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC000131572723 358682325 /nfs/dbraw/zinc/68/23/25/358682325.db2.gz UDGXSCPTFKFQST-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000051724227 358760756 /nfs/dbraw/zinc/76/07/56/358760756.db2.gz MDUYRWFVAORGQK-GFCCVEGCSA-N 2 2 248.370 2.416 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000051724227 358760758 /nfs/dbraw/zinc/76/07/58/358760758.db2.gz MDUYRWFVAORGQK-GFCCVEGCSA-N 2 2 248.370 2.416 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000219806955 134292397 /nfs/dbraw/zinc/29/23/97/134292397.db2.gz NNLFOHTXTYFYDB-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000219806955 134292398 /nfs/dbraw/zinc/29/23/98/134292398.db2.gz NNLFOHTXTYFYDB-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000053203622 358817946 /nfs/dbraw/zinc/81/79/46/358817946.db2.gz JXYHRZQSUZYSQQ-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000053203622 358817950 /nfs/dbraw/zinc/81/79/50/358817950.db2.gz JXYHRZQSUZYSQQ-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000134769383 358805321 /nfs/dbraw/zinc/80/53/21/358805321.db2.gz VHCSXRXGRHDSBV-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000134769383 358805323 /nfs/dbraw/zinc/80/53/23/358805323.db2.gz VHCSXRXGRHDSBV-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000219838371 134292036 /nfs/dbraw/zinc/29/20/36/134292036.db2.gz SSWWWGZNVORYHW-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000219838371 134292037 /nfs/dbraw/zinc/29/20/37/134292037.db2.gz SSWWWGZNVORYHW-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000054081342 358850564 /nfs/dbraw/zinc/85/05/64/358850564.db2.gz PHWBKKFTYPRCGJ-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000054081342 358850568 /nfs/dbraw/zinc/85/05/68/358850568.db2.gz PHWBKKFTYPRCGJ-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000220107696 134301305 /nfs/dbraw/zinc/30/13/05/134301305.db2.gz BVJQLBYPUDEJMM-HNNXBMFYSA-N 2 2 232.371 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000220107696 134301306 /nfs/dbraw/zinc/30/13/06/134301306.db2.gz BVJQLBYPUDEJMM-HNNXBMFYSA-N 2 2 232.371 2.406 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000177923559 134302070 /nfs/dbraw/zinc/30/20/70/134302070.db2.gz AAPLQBMYWFSWLI-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)[NH+](C)C ZINC000070347425 359050756 /nfs/dbraw/zinc/05/07/56/359050756.db2.gz RRWVRQWFYXYWFG-MELADBBJSA-N 2 2 242.407 2.120 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CCOC ZINC000070978410 359067971 /nfs/dbraw/zinc/06/79/71/359067971.db2.gz MAWZXCLWORBGDW-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000070978410 359067973 /nfs/dbraw/zinc/06/79/73/359067973.db2.gz MAWZXCLWORBGDW-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070562806 359059520 /nfs/dbraw/zinc/05/95/20/359059520.db2.gz QRSHUOIPNDIFSO-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000070732179 359063296 /nfs/dbraw/zinc/06/32/96/359063296.db2.gz KDMGDHREGNCABS-JTQLQIEISA-N 2 2 239.388 2.278 20 0 BEADLP CO[C@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000628481637 359353572 /nfs/dbraw/zinc/35/35/72/359353572.db2.gz MEHZURGFDVWOHZ-HDJSIYSDSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@H+](C)C1CC1 ZINC000308917820 491140183 /nfs/dbraw/zinc/14/01/83/491140183.db2.gz OCVSSPSJIFHDEI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@@H+](C)C1CC1 ZINC000308917820 491140184 /nfs/dbraw/zinc/14/01/84/491140184.db2.gz OCVSSPSJIFHDEI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000379555817 359543013 /nfs/dbraw/zinc/54/30/13/359543013.db2.gz HGFMFYUSDGOMGY-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000379555817 359543015 /nfs/dbraw/zinc/54/30/15/359543015.db2.gz HGFMFYUSDGOMGY-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C)c1 ZINC000423547541 192810707 /nfs/dbraw/zinc/81/07/07/192810707.db2.gz DLPIMSIHCQOLRP-GJZGRUSLSA-N 2 2 248.370 2.024 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC=C(Cl)Cl ZINC000403624786 359631472 /nfs/dbraw/zinc/63/14/72/359631472.db2.gz LSJZDOBZJSKMBT-YUMQZZPRSA-N 2 2 223.147 2.117 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC=C(Cl)Cl ZINC000403624786 359631478 /nfs/dbraw/zinc/63/14/78/359631478.db2.gz LSJZDOBZJSKMBT-YUMQZZPRSA-N 2 2 223.147 2.117 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000087012457 359893546 /nfs/dbraw/zinc/89/35/46/359893546.db2.gz DMYKTVBKGPZLBA-UHFFFAOYSA-N 2 2 218.344 2.215 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000087012457 359893550 /nfs/dbraw/zinc/89/35/50/359893550.db2.gz DMYKTVBKGPZLBA-UHFFFAOYSA-N 2 2 218.344 2.215 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000087012440 359893667 /nfs/dbraw/zinc/89/36/67/359893667.db2.gz KVZSVLRJHZENKX-AWEZNQCLSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000087012440 359893670 /nfs/dbraw/zinc/89/36/70/359893670.db2.gz KVZSVLRJHZENKX-AWEZNQCLSA-N 2 2 216.328 2.097 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000309313478 491146736 /nfs/dbraw/zinc/14/67/36/491146736.db2.gz OQROWXNOWUEWIF-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCF)C1 ZINC000090004046 360053264 /nfs/dbraw/zinc/05/32/64/360053264.db2.gz KUILPHASIIXYBS-LBPRGKRZSA-N 2 2 239.338 2.034 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCF)C1 ZINC000090004046 360053269 /nfs/dbraw/zinc/05/32/69/360053269.db2.gz KUILPHASIIXYBS-LBPRGKRZSA-N 2 2 239.338 2.034 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094365963 360304902 /nfs/dbraw/zinc/30/49/02/360304902.db2.gz JKWITMGEFHGQCW-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cc(N[C@H](C)CCC[NH3+])nc(C(C)C)[nH+]1 ZINC000094948073 360328371 /nfs/dbraw/zinc/32/83/71/360328371.db2.gz ITQCCGGMYIYHEN-SNVBAGLBSA-N 2 2 236.363 2.448 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)F)n2c1 ZINC000631189771 360527566 /nfs/dbraw/zinc/52/75/66/360527566.db2.gz SUPDPEMCFSEVDU-UHFFFAOYSA-N 2 2 235.306 2.480 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309554400 491151324 /nfs/dbraw/zinc/15/13/24/491151324.db2.gz LUBRKTOUUYMSAL-KGLIPLIRSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000488419240 219873702 /nfs/dbraw/zinc/87/37/02/219873702.db2.gz GYVQCPMXWJLWIU-VNQPRFMTSA-N 2 2 246.398 2.405 20 0 BEADLP c1c2ccccc2oc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414846668 200769701 /nfs/dbraw/zinc/76/97/01/200769701.db2.gz NUDSYSQLPKBAGN-GFCCVEGCSA-N 2 2 230.311 2.274 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1C ZINC000629390360 361037685 /nfs/dbraw/zinc/03/76/85/361037685.db2.gz PPPGEWOCTVAMKG-UONOGXRCSA-N 2 2 236.334 2.364 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629390220 361037707 /nfs/dbraw/zinc/03/77/07/361037707.db2.gz ASPRUYCLZOCJRJ-LSDHHAIUSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[NH2+]1 ZINC000629393544 361041901 /nfs/dbraw/zinc/04/19/01/361041901.db2.gz BWQWVGWGZYMWSG-JGOVJGDKSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C[NH2+]1 ZINC000629393545 361042445 /nfs/dbraw/zinc/04/24/45/361042445.db2.gz BWQWVGWGZYMWSG-VZFGUZNESA-N 2 2 230.355 2.430 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000629395500 361043078 /nfs/dbraw/zinc/04/30/78/361043078.db2.gz DGFDPTVKCIRULG-YPMHNXCESA-N 2 2 236.334 2.364 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1F ZINC000629395495 361043715 /nfs/dbraw/zinc/04/37/15/361043715.db2.gz DGFDPTVKCIRULG-DGCLKSJQSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[NH2+]1 ZINC000629396244 361044526 /nfs/dbraw/zinc/04/45/26/361044526.db2.gz JPRBFUOMCBMSCR-RNCFNFMXSA-N 2 2 240.297 2.195 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397325 361048126 /nfs/dbraw/zinc/04/81/26/361048126.db2.gz ZLPTVMKKBYHQGS-OCCSQVGLSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CCCC[NH3+] ZINC000423016275 200855491 /nfs/dbraw/zinc/85/54/91/200855491.db2.gz SPGYZZMHZVFLNS-CYBMUJFWSA-N 3 2 235.375 2.040 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000629409212 361057715 /nfs/dbraw/zinc/05/77/15/361057715.db2.gz CPKWKGFCIUFJJW-CYBMUJFWSA-N 2 2 216.328 2.016 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cnc(C)s1 ZINC000629527422 361129131 /nfs/dbraw/zinc/12/91/31/361129131.db2.gz VKGIRVHZOFTBNW-INTQDDNPSA-N 2 2 239.388 2.243 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000629527176 361129559 /nfs/dbraw/zinc/12/95/59/361129559.db2.gz MJXKFJYRMVOHNQ-KWCYVHTRSA-N 2 2 233.359 2.181 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccncc1 ZINC000629528160 361133119 /nfs/dbraw/zinc/13/31/19/361133119.db2.gz QVLIPDVRRNIFLI-MELADBBJSA-N 2 2 233.359 2.263 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000309715888 491154898 /nfs/dbraw/zinc/15/48/98/491154898.db2.gz YULUYGFHMSUCIU-UBHSHLNASA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000309715888 491154899 /nfs/dbraw/zinc/15/48/99/491154899.db2.gz YULUYGFHMSUCIU-UBHSHLNASA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000082837026 491155689 /nfs/dbraw/zinc/15/56/89/491155689.db2.gz QSVKIAYQYQPCNO-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000082837026 491155690 /nfs/dbraw/zinc/15/56/90/491155690.db2.gz QSVKIAYQYQPCNO-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cncc(F)c1 ZINC000629539322 361404652 /nfs/dbraw/zinc/40/46/52/361404652.db2.gz NZSUOSBPRXQARZ-GBIKHYSHSA-N 2 2 237.322 2.012 20 0 BEADLP COC1(C[C@@H](C)[NH2+]CC[N@H+](C)C(C)C)CCC1 ZINC000429519834 201113081 /nfs/dbraw/zinc/11/30/81/201113081.db2.gz BVWSLMUPVVVPCN-CYBMUJFWSA-N 2 2 242.407 2.264 20 0 BEADLP COC1(C[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C)CCC1 ZINC000429519834 201113085 /nfs/dbraw/zinc/11/30/85/201113085.db2.gz BVWSLMUPVVVPCN-CYBMUJFWSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000629544859 361424409 /nfs/dbraw/zinc/42/44/09/361424409.db2.gz DQQJZBWIIXBLBS-OUJBWJOFSA-N 2 2 222.307 2.227 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000629544838 361424420 /nfs/dbraw/zinc/42/44/20/361424420.db2.gz DBBSVYHFCSLXLF-ZLKJLUDKSA-N 2 2 216.328 2.014 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544798 361424580 /nfs/dbraw/zinc/42/45/80/361424580.db2.gz CXFHEFIJJIZGIC-GMXVVIOVSA-N 2 2 234.343 2.096 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629545507 361426802 /nfs/dbraw/zinc/42/68/02/361426802.db2.gz KZXCOXGORAUEEE-SGMGOOAPSA-N 2 2 218.344 2.396 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000629546424 361427877 /nfs/dbraw/zinc/42/78/77/361427877.db2.gz PQPFMZDCNOJFJO-FZZIBODNSA-N 2 2 249.333 2.012 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629546477 361428091 /nfs/dbraw/zinc/42/80/91/361428091.db2.gz YKCHVMRCLDYKGM-TYNCELHUSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000629548910 361434288 /nfs/dbraw/zinc/43/42/88/361434288.db2.gz RZEMLQIKCSTJRP-FZZIBODNSA-N 2 2 234.318 2.153 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548833 361434467 /nfs/dbraw/zinc/43/44/67/361434467.db2.gz RFGDJYDRMZHETH-GLQYFDAESA-N 2 2 230.355 2.322 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000629549010 361435650 /nfs/dbraw/zinc/43/56/50/361435650.db2.gz UCBWJXMFCYMRJM-WCQGTBRESA-N 2 2 236.384 2.466 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccoc1 ZINC000629542156 361418407 /nfs/dbraw/zinc/41/84/07/361418407.db2.gz ZKWVURJFYVDGDA-SCVCMEIPSA-N 2 2 208.305 2.071 20 0 BEADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544261 361419677 /nfs/dbraw/zinc/41/96/77/361419677.db2.gz INPIBOIXMCATKD-DDHJSBNISA-N 2 2 248.370 2.103 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1C)C1CC1 ZINC000151864022 201185691 /nfs/dbraw/zinc/18/56/91/201185691.db2.gz ZTGLSOQGNHHCGA-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1C)C1CC1 ZINC000151864022 201185693 /nfs/dbraw/zinc/18/56/93/201185693.db2.gz ZTGLSOQGNHHCGA-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)c2ncccc2c1 ZINC000629651498 361557572 /nfs/dbraw/zinc/55/75/72/361557572.db2.gz ROGYADSMYBMPLT-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(C)c2ncccc2c1 ZINC000629651498 361557573 /nfs/dbraw/zinc/55/75/73/361557573.db2.gz ROGYADSMYBMPLT-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000629650359 361548007 /nfs/dbraw/zinc/54/80/07/361548007.db2.gz SFIVTWRVGKFNAI-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP CCC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000448552624 201244394 /nfs/dbraw/zinc/24/43/94/201244394.db2.gz QGYOFAMWYQEAMY-GHMZBOCLSA-N 2 2 208.349 2.144 20 0 BEADLP CCC1([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000448552624 201244398 /nfs/dbraw/zinc/24/43/98/201244398.db2.gz QGYOFAMWYQEAMY-GHMZBOCLSA-N 2 2 208.349 2.144 20 0 BEADLP CNc1ccc(-c2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000629707682 361641270 /nfs/dbraw/zinc/64/12/70/361641270.db2.gz WQRXDQGQMLXUND-UHFFFAOYSA-N 2 2 241.338 2.274 20 0 BEADLP CCCc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000435393160 201267324 /nfs/dbraw/zinc/26/73/24/201267324.db2.gz ZGPHPDCUDBGNOB-LBPRGKRZSA-N 2 2 220.360 2.418 20 0 BEADLP CCCc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000435393160 201267327 /nfs/dbraw/zinc/26/73/27/201267327.db2.gz ZGPHPDCUDBGNOB-LBPRGKRZSA-N 2 2 220.360 2.418 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154598353 201285774 /nfs/dbraw/zinc/28/57/74/201285774.db2.gz JDIZORRKBUGLRP-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154598353 201285778 /nfs/dbraw/zinc/28/57/78/201285778.db2.gz JDIZORRKBUGLRP-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000154630607 201287984 /nfs/dbraw/zinc/28/79/84/201287984.db2.gz INXUPZBWZUDTNO-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000154630607 201287985 /nfs/dbraw/zinc/28/79/85/201287985.db2.gz INXUPZBWZUDTNO-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000435877837 201292546 /nfs/dbraw/zinc/29/25/46/201292546.db2.gz VOOBCZKTXYIGFB-DZGCQCFKSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000435877837 201292549 /nfs/dbraw/zinc/29/25/49/201292549.db2.gz VOOBCZKTXYIGFB-DZGCQCFKSA-N 2 2 248.370 2.058 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C(C)(C)C ZINC000155781208 201352619 /nfs/dbraw/zinc/35/26/19/201352619.db2.gz QRCJMONMMIQWGX-LLVKDONJSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)C ZINC000155781208 201352621 /nfs/dbraw/zinc/35/26/21/201352621.db2.gz QRCJMONMMIQWGX-LLVKDONJSA-N 2 2 200.370 2.351 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC[C@@H]3CCOC3)C2)[nH]1 ZINC000437578793 201358716 /nfs/dbraw/zinc/35/87/16/201358716.db2.gz JZWUNXGKUWAPOG-OLZOCXBDSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CC[C@@H]3CCOC3)C2)[nH]1 ZINC000437578793 201358719 /nfs/dbraw/zinc/35/87/19/201358719.db2.gz JZWUNXGKUWAPOG-OLZOCXBDSA-N 2 2 249.358 2.016 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(O)c1 ZINC000398949082 364202096 /nfs/dbraw/zinc/20/20/96/364202096.db2.gz AXLSTEHHTGUMSG-NTZNESFSSA-N 2 2 234.343 2.183 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000093074759 541346828 /nfs/dbraw/zinc/34/68/28/541346828.db2.gz IQLDSCKITIOBGH-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000093074759 541346833 /nfs/dbraw/zinc/34/68/33/541346833.db2.gz IQLDSCKITIOBGH-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[NH2+]1 ZINC000398961755 364379521 /nfs/dbraw/zinc/37/95/21/364379521.db2.gz NFIDXVWEYWEZIZ-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccncc1 ZINC000453098612 202701938 /nfs/dbraw/zinc/70/19/38/202701938.db2.gz VISPUVIUEMEFEJ-AWEZNQCLSA-N 2 2 233.359 2.218 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399015894 364722508 /nfs/dbraw/zinc/72/25/08/364722508.db2.gz DWONESDLNIYMIO-IUODEOHRSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734142 364728993 /nfs/dbraw/zinc/72/89/93/364728993.db2.gz BWPCLNADPVOUQZ-MFKMUULPSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734142 364728995 /nfs/dbraw/zinc/72/89/95/364728995.db2.gz BWPCLNADPVOUQZ-MFKMUULPSA-N 2 2 220.360 2.001 20 0 BEADLP Cc1c[nH+]c(C)nc1NC1CC[NH+](C(C)C)CC1 ZINC000573980986 364959251 /nfs/dbraw/zinc/95/92/51/364959251.db2.gz HFEYNVVTOIFAFT-UHFFFAOYSA-N 2 2 248.374 2.378 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](C)(F)C1 ZINC000574169093 365002568 /nfs/dbraw/zinc/00/25/68/365002568.db2.gz ANJDEADAIDYXFL-ZDUSSCGKSA-N 2 2 239.338 2.177 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](C)(F)C1 ZINC000574169093 365002573 /nfs/dbraw/zinc/00/25/73/365002573.db2.gz ANJDEADAIDYXFL-ZDUSSCGKSA-N 2 2 239.338 2.177 20 0 BEADLP [NH3+]CC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037712976 181397228 /nfs/dbraw/zinc/39/72/28/181397228.db2.gz RQBBKNGEUDTLPI-SNVBAGLBSA-N 2 2 242.775 2.425 20 0 BEADLP [NH3+]CC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037712977 181397408 /nfs/dbraw/zinc/39/74/08/181397408.db2.gz RQBBKNGEUDTLPI-JTQLQIEISA-N 2 2 242.775 2.425 20 0 BEADLP CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182620204 366922849 /nfs/dbraw/zinc/92/28/49/366922849.db2.gz VTVARRPFHRAECU-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182620204 366922858 /nfs/dbraw/zinc/92/28/58/366922858.db2.gz VTVARRPFHRAECU-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182622570 366923303 /nfs/dbraw/zinc/92/33/03/366923303.db2.gz FCQCUOAESDGGQJ-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182622570 366923305 /nfs/dbraw/zinc/92/33/05/366923305.db2.gz FCQCUOAESDGGQJ-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C2 ZINC000353605880 541483862 /nfs/dbraw/zinc/48/38/62/541483862.db2.gz CJUPWIAIZQFART-GRYCIOLGSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)CC2 ZINC000353605880 541483865 /nfs/dbraw/zinc/48/38/65/541483865.db2.gz CJUPWIAIZQFART-GRYCIOLGSA-N 2 2 231.343 2.045 20 0 BEADLP CCc1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000579893066 367063301 /nfs/dbraw/zinc/06/33/01/367063301.db2.gz QBUSJGLRAYGGGH-UHFFFAOYSA-N 2 2 224.348 2.226 20 0 BEADLP CCc1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000579893066 367063305 /nfs/dbraw/zinc/06/33/05/367063305.db2.gz QBUSJGLRAYGGGH-UHFFFAOYSA-N 2 2 224.348 2.226 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)CC1(C)C ZINC000380576896 367245722 /nfs/dbraw/zinc/24/57/22/367245722.db2.gz VIWIKQWORONPNJ-NEPJUHHUSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C)CC1(C)C ZINC000380576896 367245727 /nfs/dbraw/zinc/24/57/27/367245727.db2.gz VIWIKQWORONPNJ-NEPJUHHUSA-N 2 2 212.381 2.480 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000381436308 367402975 /nfs/dbraw/zinc/40/29/75/367402975.db2.gz CSHTUIZTHDCYNN-XDQVBPFNSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000381436308 367402979 /nfs/dbraw/zinc/40/29/79/367402979.db2.gz CSHTUIZTHDCYNN-XDQVBPFNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1cccs1 ZINC000381238184 367369317 /nfs/dbraw/zinc/36/93/17/367369317.db2.gz MIUZSRMAWXZJJG-DGCLKSJQSA-N 2 2 238.400 2.220 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1cccs1 ZINC000381238184 367369322 /nfs/dbraw/zinc/36/93/22/367369322.db2.gz MIUZSRMAWXZJJG-DGCLKSJQSA-N 2 2 238.400 2.220 20 0 BEADLP CCc1ccccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000382983230 367580356 /nfs/dbraw/zinc/58/03/56/367580356.db2.gz YNMNQIHTWROQHG-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000382983230 367580359 /nfs/dbraw/zinc/58/03/59/367580359.db2.gz YNMNQIHTWROQHG-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CC(C)=CCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000581618732 367637625 /nfs/dbraw/zinc/63/76/25/367637625.db2.gz MRWHXIVANPSPHA-UHFFFAOYSA-N 2 2 207.321 2.174 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C[NH2+]1 ZINC000399150952 367691534 /nfs/dbraw/zinc/69/15/34/367691534.db2.gz ZDYHQIABOMTLJV-KYOSRNDESA-N 2 2 230.355 2.404 20 0 BEADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384513643 367695028 /nfs/dbraw/zinc/69/50/28/367695028.db2.gz UVXAGLZZMRMLTH-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384513643 367695035 /nfs/dbraw/zinc/69/50/35/367695035.db2.gz UVXAGLZZMRMLTH-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000384723332 367720463 /nfs/dbraw/zinc/72/04/63/367720463.db2.gz IPVSDZCTFXTPKU-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000384723332 367720469 /nfs/dbraw/zinc/72/04/69/367720469.db2.gz IPVSDZCTFXTPKU-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP C[N@H+](Cc1cc(Cl)ccc1F)C1CC([NH3+])C1 ZINC000384999507 367771069 /nfs/dbraw/zinc/77/10/69/367771069.db2.gz LSZABNUCTZRUET-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP C[N@@H+](Cc1cc(Cl)ccc1F)C1CC([NH3+])C1 ZINC000384999507 367771073 /nfs/dbraw/zinc/77/10/73/367771073.db2.gz LSZABNUCTZRUET-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP Cc1cnccc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000385049253 367778461 /nfs/dbraw/zinc/77/84/61/367778461.db2.gz QHAPBGNUPCAXAM-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000385049253 367778464 /nfs/dbraw/zinc/77/84/64/367778464.db2.gz QHAPBGNUPCAXAM-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000385049257 367779178 /nfs/dbraw/zinc/77/91/78/367779178.db2.gz QHAPBGNUPCAXAM-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000385049257 367779185 /nfs/dbraw/zinc/77/91/85/367779185.db2.gz QHAPBGNUPCAXAM-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c1 ZINC000385282794 367816450 /nfs/dbraw/zinc/81/64/50/367816450.db2.gz ZXSHBDYHQHYHCN-ZBFHGGJFSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c1 ZINC000385282794 367816455 /nfs/dbraw/zinc/81/64/55/367816455.db2.gz ZXSHBDYHQHYHCN-ZBFHGGJFSA-N 2 2 244.382 2.406 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399179455 367851889 /nfs/dbraw/zinc/85/18/89/367851889.db2.gz ITVNXCRNKNQJSE-AVGNSLFASA-N 2 2 248.370 2.486 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399230112 367906045 /nfs/dbraw/zinc/90/60/45/367906045.db2.gz OXJOXILHQWHIMA-MBNYWOFBSA-N 2 2 248.370 2.486 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399228041 367907097 /nfs/dbraw/zinc/90/70/97/367907097.db2.gz OCFBFPYAMKBFKA-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000385992918 367894071 /nfs/dbraw/zinc/89/40/71/367894071.db2.gz JJUUJOKUMQFYSJ-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386008202 367895940 /nfs/dbraw/zinc/89/59/40/367895940.db2.gz MBGMGDGQKOSDRZ-RISCZKNCSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386034192 367900284 /nfs/dbraw/zinc/90/02/84/367900284.db2.gz RKNZQEJVDZCUJZ-GXTWGEPZSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)[C@H]1C ZINC000386315754 367950113 /nfs/dbraw/zinc/95/01/13/367950113.db2.gz XNCBTRXHMPGQOB-WVWOOGAGSA-N 2 2 218.344 2.321 20 0 BEADLP Cc1ncsc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386628559 368003182 /nfs/dbraw/zinc/00/31/82/368003182.db2.gz ZOBPFDOIBKOOCJ-MWLCHTKSSA-N 2 2 239.388 2.072 20 0 BEADLP CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386451713 367975079 /nfs/dbraw/zinc/97/50/79/367975079.db2.gz OAPAHCAZBHSMTQ-ZIAGYGMSSA-N 2 2 242.407 2.169 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000582013813 368154190 /nfs/dbraw/zinc/15/41/90/368154190.db2.gz XNNUDAYMAMSFJS-OLZOCXBDSA-N 2 2 248.374 2.378 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(C)C ZINC000101574150 368377395 /nfs/dbraw/zinc/37/73/95/368377395.db2.gz PQJZOMSAPMTJFK-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(C)C ZINC000101574150 368377396 /nfs/dbraw/zinc/37/73/96/368377396.db2.gz PQJZOMSAPMTJFK-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP Clc1cccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000059533419 368531959 /nfs/dbraw/zinc/53/19/59/368531959.db2.gz PWSBQOCAPRCNCE-CYBMUJFWSA-N 2 2 238.762 2.224 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1c(F)cccc1F ZINC000084946319 368861092 /nfs/dbraw/zinc/86/10/92/368861092.db2.gz UYGZWHBHMGJXRV-ZJUUUORDSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1c(F)cccc1F ZINC000084946319 368861097 /nfs/dbraw/zinc/86/10/97/368861097.db2.gz UYGZWHBHMGJXRV-ZJUUUORDSA-N 2 2 240.297 2.276 20 0 BEADLP COc1cccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631835282 369042851 /nfs/dbraw/zinc/04/28/51/369042851.db2.gz QGVGXCVRLGANFS-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP COc1cccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC000631835282 369042858 /nfs/dbraw/zinc/04/28/58/369042858.db2.gz QGVGXCVRLGANFS-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP C[C@@H]1CCC[C@@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297577 203251273 /nfs/dbraw/zinc/25/12/73/203251273.db2.gz JLYJUWOQIYIALJ-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[C@@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297577 203251278 /nfs/dbraw/zinc/25/12/78/203251278.db2.gz JLYJUWOQIYIALJ-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP CCC1(CC)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459349100 203263608 /nfs/dbraw/zinc/26/36/08/203263608.db2.gz UKRHZKFFMYPTFT-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP CCC1(CC)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459349100 203263610 /nfs/dbraw/zinc/26/36/10/203263610.db2.gz UKRHZKFFMYPTFT-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)CC1CCC1 ZINC000459452847 203285266 /nfs/dbraw/zinc/28/52/66/203285266.db2.gz WXXQQVUQOXGSKQ-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)CC1CCC1 ZINC000459452847 203285270 /nfs/dbraw/zinc/28/52/70/203285270.db2.gz WXXQQVUQOXGSKQ-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC3(CCC3)C2)CCC1 ZINC000459501892 203293275 /nfs/dbraw/zinc/29/32/75/203293275.db2.gz DFNJLDDKXGHPID-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2C2CC2)c1 ZINC000459657522 203330600 /nfs/dbraw/zinc/33/06/00/203330600.db2.gz IDLPINMCUQRMLW-KBPBESRZSA-N 2 2 233.359 2.131 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631859293 369468253 /nfs/dbraw/zinc/46/82/53/369468253.db2.gz MGBKAOBZXXOZDV-JSGCOSHPSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631859293 369468257 /nfs/dbraw/zinc/46/82/57/369468257.db2.gz MGBKAOBZXXOZDV-JSGCOSHPSA-N 2 2 248.370 2.395 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2C[C@@H]3C[C@H]2CS3)[nH+]1 ZINC000459751503 203356962 /nfs/dbraw/zinc/35/69/62/203356962.db2.gz KBNYFPPTCNTFEP-RYUDHWBXSA-N 2 2 245.351 2.024 20 0 BEADLP c1cn2c(cccc2C[N@H+]2C[C@@H]3C[C@H]2CS3)[nH+]1 ZINC000459751503 203356967 /nfs/dbraw/zinc/35/69/67/203356967.db2.gz KBNYFPPTCNTFEP-RYUDHWBXSA-N 2 2 245.351 2.024 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165312925 203383870 /nfs/dbraw/zinc/38/38/70/203383870.db2.gz HOQDIFJMWRBCPP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165312925 203383871 /nfs/dbraw/zinc/38/38/71/203383871.db2.gz HOQDIFJMWRBCPP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000165276826 203383473 /nfs/dbraw/zinc/38/34/73/203383473.db2.gz RAPPFWLLBLRHAO-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000621383994 370328093 /nfs/dbraw/zinc/32/80/93/370328093.db2.gz WPRANLIAOJAMIQ-PYNQCMFNSA-N 2 2 222.376 2.247 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000621383994 370328096 /nfs/dbraw/zinc/32/80/96/370328096.db2.gz WPRANLIAOJAMIQ-PYNQCMFNSA-N 2 2 222.376 2.247 20 0 BEADLP Clc1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000568236894 326331817 /nfs/dbraw/zinc/33/18/17/326331817.db2.gz XYGBWKCQMRMDLN-UHFFFAOYSA-N 2 2 228.723 2.118 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000621778276 370527754 /nfs/dbraw/zinc/52/77/54/370527754.db2.gz NLMXXPBDRWOMJW-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000621778276 370527760 /nfs/dbraw/zinc/52/77/60/370527760.db2.gz NLMXXPBDRWOMJW-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000624101208 371306275 /nfs/dbraw/zinc/30/62/75/371306275.db2.gz QODVNPOHHQVYKJ-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H]1C ZINC000624101208 371306282 /nfs/dbraw/zinc/30/62/82/371306282.db2.gz QODVNPOHHQVYKJ-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624101385 371307751 /nfs/dbraw/zinc/30/77/51/371307751.db2.gz CNGHRRQPCDGSJF-MQYQWHSLSA-N 2 2 236.403 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624101385 371307758 /nfs/dbraw/zinc/30/77/58/371307758.db2.gz CNGHRRQPCDGSJF-MQYQWHSLSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1C[C@@H]1C ZINC000624101362 371307962 /nfs/dbraw/zinc/30/79/62/371307962.db2.gz BBVDICZXIZGCIY-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1C[C@@H]1C ZINC000624101362 371307966 /nfs/dbraw/zinc/30/79/66/371307966.db2.gz BBVDICZXIZGCIY-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000624272043 371448352 /nfs/dbraw/zinc/44/83/52/371448352.db2.gz UCHWTRYTWONBSI-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000624272043 371448357 /nfs/dbraw/zinc/44/83/57/371448357.db2.gz UCHWTRYTWONBSI-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000624271935 371452517 /nfs/dbraw/zinc/45/25/17/371452517.db2.gz NCCYXICJDSOUHR-BFHYXJOUSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000624271935 371452519 /nfs/dbraw/zinc/45/25/19/371452519.db2.gz NCCYXICJDSOUHR-BFHYXJOUSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000624271936 371453063 /nfs/dbraw/zinc/45/30/63/371453063.db2.gz NCCYXICJDSOUHR-IHRRRGAJSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000624271936 371453065 /nfs/dbraw/zinc/45/30/65/371453065.db2.gz NCCYXICJDSOUHR-IHRRRGAJSA-N 2 2 222.376 2.249 20 0 BEADLP CCc1cc(NCCC[N@H+](C)C(C)C)nc[nH+]1 ZINC000226528846 371688150 /nfs/dbraw/zinc/68/81/50/371688150.db2.gz PHUWLZWDHMQFCG-UHFFFAOYSA-N 2 2 236.363 2.181 20 0 BEADLP CCc1cc(NCCC[N@@H+](C)C(C)C)nc[nH+]1 ZINC000226528846 371688158 /nfs/dbraw/zinc/68/81/58/371688158.db2.gz PHUWLZWDHMQFCG-UHFFFAOYSA-N 2 2 236.363 2.181 20 0 BEADLP Cc1cc(C)c(CN2CC[NH2+]CC2(C)C)c(C)[nH+]1 ZINC000631821521 372594715 /nfs/dbraw/zinc/59/47/15/372594715.db2.gz AITYUAFCILLWDC-UHFFFAOYSA-N 2 2 247.386 2.191 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCSc1ccccc1 ZINC000631858844 372658204 /nfs/dbraw/zinc/65/82/04/372658204.db2.gz FBPMMXHZMUYRQX-NEPJUHHUSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCSc1ccccc1 ZINC000631858844 372658206 /nfs/dbraw/zinc/65/82/06/372658206.db2.gz FBPMMXHZMUYRQX-NEPJUHHUSA-N 2 2 236.384 2.200 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c(C)n1 ZINC000631834847 372620744 /nfs/dbraw/zinc/62/07/44/372620744.db2.gz HCFFJDIYHNJNLZ-HNNXBMFYSA-N 2 2 247.386 2.402 20 0 BEADLP Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c(C)n1 ZINC000631834847 372620749 /nfs/dbraw/zinc/62/07/49/372620749.db2.gz HCFFJDIYHNJNLZ-HNNXBMFYSA-N 2 2 247.386 2.402 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](CCC2CCC2)C1 ZINC000631834690 372620777 /nfs/dbraw/zinc/62/07/77/372620777.db2.gz DDLWKPNSGIGICP-CYBMUJFWSA-N 2 2 210.365 2.380 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](CCC2CCC2)C1 ZINC000631834690 372620783 /nfs/dbraw/zinc/62/07/83/372620783.db2.gz DDLWKPNSGIGICP-CYBMUJFWSA-N 2 2 210.365 2.380 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860143 372660436 /nfs/dbraw/zinc/66/04/36/372660436.db2.gz UZQSSTADANRWNG-SYQHCUMBSA-N 2 2 240.391 2.003 20 0 BEADLP CCc1cccc(OCC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631857508 372656156 /nfs/dbraw/zinc/65/61/56/372656156.db2.gz JNWPMGUPKQVBMP-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP CCc1cccc(OCC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631857508 372656161 /nfs/dbraw/zinc/65/61/61/372656161.db2.gz JNWPMGUPKQVBMP-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c(C)s1 ZINC000631860108 372660351 /nfs/dbraw/zinc/66/03/51/372660351.db2.gz USRGENZLEDGEOF-PELKAZGASA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c(C)s1 ZINC000631860108 372660355 /nfs/dbraw/zinc/66/03/55/372660355.db2.gz USRGENZLEDGEOF-PELKAZGASA-N 2 2 224.373 2.286 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860143 372660432 /nfs/dbraw/zinc/66/04/32/372660432.db2.gz UZQSSTADANRWNG-SYQHCUMBSA-N 2 2 240.391 2.003 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861382 372662212 /nfs/dbraw/zinc/66/22/12/372662212.db2.gz ACFAGMZOXQCAAK-SMDDNHRTSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861382 372662218 /nfs/dbraw/zinc/66/22/18/372662218.db2.gz ACFAGMZOXQCAAK-SMDDNHRTSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCC(F)(F)F ZINC000631862521 372663491 /nfs/dbraw/zinc/66/34/91/372663491.db2.gz QKNXVKJGJGDOMA-BDAKNGLRSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000631862521 372663495 /nfs/dbraw/zinc/66/34/95/372663495.db2.gz QKNXVKJGJGDOMA-BDAKNGLRSA-N 2 2 224.270 2.141 20 0 BEADLP Cc1cccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631869040 372672265 /nfs/dbraw/zinc/67/22/65/372672265.db2.gz FGDHBOCBHOCCHY-CABCVRRESA-N 2 2 230.355 2.227 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671712 373588707 /nfs/dbraw/zinc/58/87/07/373588707.db2.gz CJNGXTDNILKVOC-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671712 373588711 /nfs/dbraw/zinc/58/87/11/373588711.db2.gz CJNGXTDNILKVOC-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000040671630 373589493 /nfs/dbraw/zinc/58/94/93/373589493.db2.gz NYZRABURUXVGPR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000040671630 373589502 /nfs/dbraw/zinc/58/95/02/373589502.db2.gz NYZRABURUXVGPR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000414908076 205782276 /nfs/dbraw/zinc/78/22/76/205782276.db2.gz AYJQGIHLSASNJD-DOMZBBRYSA-N 2 2 232.371 2.391 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc2cccnc21 ZINC000041160362 374116406 /nfs/dbraw/zinc/11/64/06/374116406.db2.gz ISMBKWDNAIWPIB-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc2cccnc21 ZINC000041160362 374116416 /nfs/dbraw/zinc/11/64/16/374116416.db2.gz ISMBKWDNAIWPIB-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000336766465 170034957 /nfs/dbraw/zinc/03/49/57/170034957.db2.gz ROUULIUTGSLEJW-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000336766465 170034958 /nfs/dbraw/zinc/03/49/58/170034958.db2.gz ROUULIUTGSLEJW-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000442665791 206082601 /nfs/dbraw/zinc/08/26/01/206082601.db2.gz NXYLBDCVIZMMRB-SNVBAGLBSA-N 2 2 222.307 2.137 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000442665791 206082606 /nfs/dbraw/zinc/08/26/06/206082606.db2.gz NXYLBDCVIZMMRB-SNVBAGLBSA-N 2 2 222.307 2.137 20 0 BEADLP CCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179669797 169081514 /nfs/dbraw/zinc/08/15/14/169081514.db2.gz JGVRIFAUXNUUIG-UHFFFAOYSA-N 2 2 203.289 2.176 20 0 BEADLP CCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179669797 169081515 /nfs/dbraw/zinc/08/15/15/169081515.db2.gz JGVRIFAUXNUUIG-UHFFFAOYSA-N 2 2 203.289 2.176 20 0 BEADLP CCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347658830 169082725 /nfs/dbraw/zinc/08/27/25/169082725.db2.gz WJCJBYPLQYEWAB-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP CCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347658830 169082729 /nfs/dbraw/zinc/08/27/29/169082729.db2.gz WJCJBYPLQYEWAB-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccccn1 ZINC000290514963 169156256 /nfs/dbraw/zinc/15/62/56/169156256.db2.gz PUIGIYREZUADTH-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccn1 ZINC000290514963 169156258 /nfs/dbraw/zinc/15/62/58/169156258.db2.gz PUIGIYREZUADTH-UHFFFAOYSA-N 2 2 235.375 2.245 20 0 BEADLP Oc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996706 183291320 /nfs/dbraw/zinc/29/13/20/183291320.db2.gz NODDYNNHDJWLEY-HUUCEWRRSA-N 2 2 246.354 2.109 20 0 BEADLP Oc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996706 183291321 /nfs/dbraw/zinc/29/13/21/183291321.db2.gz NODDYNNHDJWLEY-HUUCEWRRSA-N 2 2 246.354 2.109 20 0 BEADLP CCC[N@H+](CCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071331876 169168871 /nfs/dbraw/zinc/16/88/71/169168871.db2.gz LFZWVHWNANZKRE-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP CCC[N@@H+](CCOc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071331876 169168873 /nfs/dbraw/zinc/16/88/73/169168873.db2.gz LFZWVHWNANZKRE-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP CCC[N@H+](Cc1cccs1)[C@H]1CC[NH2+]C1 ZINC000070901842 169179954 /nfs/dbraw/zinc/17/99/54/169179954.db2.gz ISIQSOITEPPLQN-NSHDSACASA-N 2 2 224.373 2.322 20 0 BEADLP CCC[N@@H+](Cc1cccs1)[C@H]1CC[NH2+]C1 ZINC000070901842 169179955 /nfs/dbraw/zinc/17/99/55/169179955.db2.gz ISIQSOITEPPLQN-NSHDSACASA-N 2 2 224.373 2.322 20 0 BEADLP CCC[NH+]1CCC(CNc2cc(C)[nH+]cn2)CC1 ZINC000301226547 169187563 /nfs/dbraw/zinc/18/75/63/169187563.db2.gz GIBGITOEJJSBSO-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cc(F)ccc1C ZINC000161353416 169259630 /nfs/dbraw/zinc/25/96/30/169259630.db2.gz VRZJSBCVIKOSKV-UHFFFAOYSA-N 2 2 224.323 2.223 20 0 BEADLP c1cc(O[C@@H]2CC[N@@H+](C3CCCC3)C2)cc[nH+]1 ZINC000120162658 183360603 /nfs/dbraw/zinc/36/06/03/183360603.db2.gz HKUWREIQUBDGQN-CQSZACIVSA-N 2 2 232.327 2.477 20 0 BEADLP c1cc(O[C@@H]2CC[N@H+](C3CCCC3)C2)cc[nH+]1 ZINC000120162658 183360605 /nfs/dbraw/zinc/36/06/05/183360605.db2.gz HKUWREIQUBDGQN-CQSZACIVSA-N 2 2 232.327 2.477 20 0 BEADLP CCCOc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712505 169321623 /nfs/dbraw/zinc/32/16/23/169321623.db2.gz YFNRNLJKGXVPGE-NSHDSACASA-N 2 2 222.332 2.085 20 0 BEADLP CCCOc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000347184818 169324893 /nfs/dbraw/zinc/32/48/93/169324893.db2.gz YTNBXHPSVZYHNA-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000347184818 169324895 /nfs/dbraw/zinc/32/48/95/169324895.db2.gz YTNBXHPSVZYHNA-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252711 383923433 /nfs/dbraw/zinc/92/34/33/383923433.db2.gz PEIGWRATHGNDPO-WTIISPKJSA-N 2 2 228.355 2.054 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252711 383923436 /nfs/dbraw/zinc/92/34/36/383923436.db2.gz PEIGWRATHGNDPO-WTIISPKJSA-N 2 2 228.355 2.054 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000449351817 383926060 /nfs/dbraw/zinc/92/60/60/383926060.db2.gz RUGGFXOFZGLNRJ-PWSUYJOCSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(C)(F)F ZINC000449351817 383926066 /nfs/dbraw/zinc/92/60/66/383926066.db2.gz RUGGFXOFZGLNRJ-PWSUYJOCSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cscn1 ZINC000643543550 383984342 /nfs/dbraw/zinc/98/43/42/383984342.db2.gz ZLGWKBUZHJWGQY-ONGXEEELSA-N 2 2 239.388 2.311 20 0 BEADLP Cc1ccoc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000293877105 383994582 /nfs/dbraw/zinc/99/45/82/383994582.db2.gz YMGBOQZMXGNPFR-YHWZYXNKSA-N 2 2 234.343 2.303 20 0 BEADLP Cc1ccoc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000293877105 383994588 /nfs/dbraw/zinc/99/45/88/383994588.db2.gz YMGBOQZMXGNPFR-YHWZYXNKSA-N 2 2 234.343 2.303 20 0 BEADLP C[C@H](Cc1ccsc1)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000569416420 383997687 /nfs/dbraw/zinc/99/76/87/383997687.db2.gz URQBELVGSIRPQF-LLVKDONJSA-N 2 2 247.367 2.391 20 0 BEADLP C[C@H](Cc1ccsc1)[N@H+]1CCn2c[nH+]cc2C1 ZINC000569416420 383997691 /nfs/dbraw/zinc/99/76/91/383997691.db2.gz URQBELVGSIRPQF-LLVKDONJSA-N 2 2 247.367 2.391 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3[nH+]ccn3C)c2C[C@H]1C ZINC000296142640 383936666 /nfs/dbraw/zinc/93/66/66/383936666.db2.gz ZVNNMBFXJHRDDP-GHMZBOCLSA-N 2 2 244.342 2.036 20 0 BEADLP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545355 384012778 /nfs/dbraw/zinc/01/27/78/384012778.db2.gz DXOGIEWSVCGHNZ-KBPBESRZSA-N 2 2 245.370 2.191 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000564634040 384014931 /nfs/dbraw/zinc/01/49/31/384014931.db2.gz WKUPFOFBPZQVRY-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000564634040 384014935 /nfs/dbraw/zinc/01/49/35/384014935.db2.gz WKUPFOFBPZQVRY-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564973659 384053655 /nfs/dbraw/zinc/05/36/55/384053655.db2.gz NNUIHDNRRNDAIE-AWEZNQCLSA-N 2 2 247.386 2.259 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564973659 384053659 /nfs/dbraw/zinc/05/36/59/384053659.db2.gz NNUIHDNRRNDAIE-AWEZNQCLSA-N 2 2 247.386 2.259 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884872 384101378 /nfs/dbraw/zinc/10/13/78/384101378.db2.gz AGKAEZZMUCJZLN-LXTVHRRPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884872 384101381 /nfs/dbraw/zinc/10/13/81/384101381.db2.gz AGKAEZZMUCJZLN-LXTVHRRPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313249413 384150666 /nfs/dbraw/zinc/15/06/66/384150666.db2.gz AIMDAPPZZALJBQ-NWDGAFQWSA-N 2 2 221.348 2.131 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)o1 ZINC000041042093 384175219 /nfs/dbraw/zinc/17/52/19/384175219.db2.gz GQCLPNHXLYKSND-NSHDSACASA-N 2 2 219.288 2.135 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000041063998 384175305 /nfs/dbraw/zinc/17/53/05/384175305.db2.gz OIYQSLWQTBLTQX-YPMHNXCESA-N 2 2 245.326 2.389 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cn1 ZINC000092196267 384167414 /nfs/dbraw/zinc/16/74/14/384167414.db2.gz BXFCRLBPCUTUDN-WDEREUQCSA-N 2 2 239.338 2.212 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092196266 384167686 /nfs/dbraw/zinc/16/76/86/384167686.db2.gz BXFCRLBPCUTUDN-MNOVXSKESA-N 2 2 239.338 2.212 20 0 BEADLP Cc1ccoc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253805 384170493 /nfs/dbraw/zinc/17/04/93/384170493.db2.gz ZWUJGYFNTXFZNM-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccoc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253805 384170496 /nfs/dbraw/zinc/17/04/96/384170496.db2.gz ZWUJGYFNTXFZNM-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccoc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253805 384170497 /nfs/dbraw/zinc/17/04/97/384170497.db2.gz ZWUJGYFNTXFZNM-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccoc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253805 384170498 /nfs/dbraw/zinc/17/04/98/384170498.db2.gz ZWUJGYFNTXFZNM-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCc3ccccc32)c[nH+]1 ZINC000041119134 384177363 /nfs/dbraw/zinc/17/73/63/384177363.db2.gz ZOYZMDWTGHVFSZ-CQSZACIVSA-N 2 2 227.311 2.160 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000163213978 384178748 /nfs/dbraw/zinc/17/87/48/384178748.db2.gz FGNUTDODWHLUQN-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000163213978 384178751 /nfs/dbraw/zinc/17/87/51/384178751.db2.gz FGNUTDODWHLUQN-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP Cc1cc[nH+]c(NCC[NH+]2CCCCC2)c1 ZINC000043561692 384193423 /nfs/dbraw/zinc/19/34/23/384193423.db2.gz ZHHRFTRCNAPBBB-UHFFFAOYSA-N 2 2 219.332 2.288 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])c(C)s1 ZINC000133248104 384235749 /nfs/dbraw/zinc/23/57/49/384235749.db2.gz ULCUYBBRQFNHEM-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])c(C)s1 ZINC000133248104 384235753 /nfs/dbraw/zinc/23/57/53/384235753.db2.gz ULCUYBBRQFNHEM-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1CC1(C)C ZINC000309458198 384219271 /nfs/dbraw/zinc/21/92/71/384219271.db2.gz OAWIODQMGZWHNT-UMSGYPCISA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1CC1(C)C ZINC000309458198 384219275 /nfs/dbraw/zinc/21/92/75/384219275.db2.gz OAWIODQMGZWHNT-UMSGYPCISA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cncs1 ZINC000133007266 384219712 /nfs/dbraw/zinc/21/97/12/384219712.db2.gz XCRGOAQUHBKVGP-VHSXEESVSA-N 2 2 227.377 2.134 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cncs1 ZINC000133007092 384220939 /nfs/dbraw/zinc/22/09/39/384220939.db2.gz XCRGOAQUHBKVGP-ZJUUUORDSA-N 2 2 227.377 2.134 20 0 BEADLP Cc1cnc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000295347915 384223021 /nfs/dbraw/zinc/22/30/21/384223021.db2.gz IIZVIKBKCZKBHZ-UHFFFAOYSA-N 2 2 239.388 2.027 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)CC(F)F ZINC000647317937 384244086 /nfs/dbraw/zinc/24/40/86/384244086.db2.gz AHOOGNITXWKRLY-HOSYDEDBSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)CC(F)F ZINC000647317937 384244094 /nfs/dbraw/zinc/24/40/94/384244094.db2.gz AHOOGNITXWKRLY-HOSYDEDBSA-N 2 2 246.345 2.350 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000069626971 384247697 /nfs/dbraw/zinc/24/76/97/384247697.db2.gz GSEGQJJEOURWBQ-MWLCHTKSSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000069626971 384247701 /nfs/dbraw/zinc/24/77/01/384247701.db2.gz GSEGQJJEOURWBQ-MWLCHTKSSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@@H+]1C ZINC000093643899 384254962 /nfs/dbraw/zinc/25/49/62/384254962.db2.gz LPPBJCQMRIVJIA-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@H+]1C ZINC000093643899 384254964 /nfs/dbraw/zinc/25/49/64/384254964.db2.gz LPPBJCQMRIVJIA-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643899 384254968 /nfs/dbraw/zinc/25/49/68/384254968.db2.gz LPPBJCQMRIVJIA-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643899 384254970 /nfs/dbraw/zinc/25/49/70/384254970.db2.gz LPPBJCQMRIVJIA-GHMZBOCLSA-N 2 2 239.388 2.058 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H](CC(C)C)C[NH+](C)C)OC ZINC000319621197 384269431 /nfs/dbraw/zinc/26/94/31/384269431.db2.gz LLABFKPGRHKHPF-UONOGXRCSA-N 2 2 244.423 2.367 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]CC3(F)CC3)cn21 ZINC000647262938 384319419 /nfs/dbraw/zinc/31/94/19/384319419.db2.gz ZKWNBJRPPXOZBK-UHFFFAOYSA-N 2 2 247.317 2.277 20 0 BEADLP Cc1cc[nH+]c(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000043561649 384286959 /nfs/dbraw/zinc/28/69/59/384286959.db2.gz MBVIDNHOSDPEMA-LLVKDONJSA-N 2 2 216.288 2.087 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084342737 384391811 /nfs/dbraw/zinc/39/18/11/384391811.db2.gz OHKRTDLXXXAIOO-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084342737 384391816 /nfs/dbraw/zinc/39/18/16/384391816.db2.gz OHKRTDLXXXAIOO-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cn[nH]c1 ZINC000229635887 384396326 /nfs/dbraw/zinc/39/63/26/384396326.db2.gz AXXXJVPQINOGHG-CUOATXAZSA-N 2 2 242.326 2.205 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000335644056 384414632 /nfs/dbraw/zinc/41/46/32/384414632.db2.gz OAMMOSLZWACWQO-NOZJJQNGSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000335644271 384416146 /nfs/dbraw/zinc/41/61/46/384416146.db2.gz SQIYEUGDRZQFFE-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C(C)C)CCC2 ZINC000335605288 384379472 /nfs/dbraw/zinc/37/94/72/384379472.db2.gz PPAFFKQRNRWUEM-LLVKDONJSA-N 2 2 207.321 2.067 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000335606485 384380527 /nfs/dbraw/zinc/38/05/27/384380527.db2.gz ORYKGDDCNBOJDS-SKDRFNHKSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000335606485 384380533 /nfs/dbraw/zinc/38/05/33/384380533.db2.gz ORYKGDDCNBOJDS-SKDRFNHKSA-N 2 2 224.373 2.096 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335608601 384383302 /nfs/dbraw/zinc/38/33/02/384383302.db2.gz VSTFICAVHWYVOY-VIFPVBQESA-N 2 2 219.332 2.045 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335608601 384383310 /nfs/dbraw/zinc/38/33/10/384383310.db2.gz VSTFICAVHWYVOY-VIFPVBQESA-N 2 2 219.332 2.045 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000385210775 384466009 /nfs/dbraw/zinc/46/60/09/384466009.db2.gz WYLUDMKZAUIRGN-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1C ZINC000385210775 384466015 /nfs/dbraw/zinc/46/60/15/384466015.db2.gz WYLUDMKZAUIRGN-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000263845681 384500342 /nfs/dbraw/zinc/50/03/42/384500342.db2.gz KCVNULWSHBFLEB-MFKMUULPSA-N 2 2 245.326 2.426 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Br)cc1 ZINC000037712341 384508941 /nfs/dbraw/zinc/50/89/41/384508941.db2.gz UYENUOREVSFEGF-QMMMGPOBSA-N 2 2 243.148 2.058 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccccc1Br ZINC000037712396 384510919 /nfs/dbraw/zinc/51/09/19/384510919.db2.gz FOMWNEKRYIKHDB-QMMMGPOBSA-N 2 2 243.148 2.058 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccco1 ZINC000037249048 384489682 /nfs/dbraw/zinc/48/96/82/384489682.db2.gz OLHAJSKZKWYUKL-SNVBAGLBSA-N 2 2 208.305 2.024 20 0 BEADLP CC[C@@](C)(C[NH2+]C(C)(C)C[NH+]1CCCC1)OC ZINC000319812940 384494955 /nfs/dbraw/zinc/49/49/55/384494955.db2.gz HMYQXRJEAFFDQI-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000123019973 384527537 /nfs/dbraw/zinc/52/75/37/384527537.db2.gz WISKUJRCJLNXNB-MBNYWOFBSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000123019973 384527542 /nfs/dbraw/zinc/52/75/42/384527542.db2.gz WISKUJRCJLNXNB-MBNYWOFBSA-N 2 2 245.370 2.357 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000172196312 384548505 /nfs/dbraw/zinc/54/85/05/384548505.db2.gz QSBXCGUTRBOBCA-ZDUSSCGKSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000172196312 384548511 /nfs/dbraw/zinc/54/85/11/384548511.db2.gz QSBXCGUTRBOBCA-ZDUSSCGKSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000172197279 384548812 /nfs/dbraw/zinc/54/88/12/384548812.db2.gz QHPYTOPOEITZSM-LBPRGKRZSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000172197279 384548821 /nfs/dbraw/zinc/54/88/21/384548821.db2.gz QHPYTOPOEITZSM-LBPRGKRZSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000150058132 384556828 /nfs/dbraw/zinc/55/68/28/384556828.db2.gz MVMJMMPQCYYCPJ-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000150058132 384556852 /nfs/dbraw/zinc/55/68/52/384556852.db2.gz MVMJMMPQCYYCPJ-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc2nc(C)ccc2c1 ZINC000306058760 384568380 /nfs/dbraw/zinc/56/83/80/384568380.db2.gz YIFDTGNYOWOBPZ-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc2nc(C)ccc2c1 ZINC000306058760 384568386 /nfs/dbraw/zinc/56/83/86/384568386.db2.gz YIFDTGNYOWOBPZ-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065410 384576940 /nfs/dbraw/zinc/57/69/40/384576940.db2.gz BAZLODBENHYSGT-HZPDHXFCSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065410 384576944 /nfs/dbraw/zinc/57/69/44/384576944.db2.gz BAZLODBENHYSGT-HZPDHXFCSA-N 2 2 244.382 2.221 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(C2(C[NH3+])CCC2)cc1 ZINC000258408061 384584624 /nfs/dbraw/zinc/58/46/24/384584624.db2.gz YRPPNOXFIQQLLA-UHFFFAOYSA-N 2 2 241.338 2.468 20 0 BEADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000309801134 384622980 /nfs/dbraw/zinc/62/29/80/384622980.db2.gz RFJDBCWHNURSPC-UPJWGTAASA-N 2 2 219.332 2.051 20 0 BEADLP C[N@H+](Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC000036889050 384626448 /nfs/dbraw/zinc/62/64/48/384626448.db2.gz IBSAITSZWVSTBE-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1F)C1CC[NH2+]CC1 ZINC000036889050 384626461 /nfs/dbraw/zinc/62/64/61/384626461.db2.gz IBSAITSZWVSTBE-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP CCc1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000042541425 384643265 /nfs/dbraw/zinc/64/32/65/384643265.db2.gz KRFUGGIWOPSLNP-UHFFFAOYSA-N 2 2 235.356 2.297 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CC3CCC2CC3)c[nH+]1 ZINC000309838568 384657180 /nfs/dbraw/zinc/65/71/80/384657180.db2.gz NCDGICPEMQGEFH-WXRRBKDZSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]cn2C)o1 ZINC000082393954 384679634 /nfs/dbraw/zinc/67/96/34/384679634.db2.gz IXPIAAZGMPZHDK-JTQLQIEISA-N 2 2 219.288 2.172 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000647540119 384681758 /nfs/dbraw/zinc/68/17/58/384681758.db2.gz XIFCXGQNCXONOC-MQYQWHSLSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000647540119 384681768 /nfs/dbraw/zinc/68/17/68/384681768.db2.gz XIFCXGQNCXONOC-MQYQWHSLSA-N 2 2 242.382 2.445 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(F)(F)CC1 ZINC000647282836 384699974 /nfs/dbraw/zinc/69/99/74/384699974.db2.gz WSELANCHMNPOGH-JTQLQIEISA-N 2 2 243.301 2.439 20 0 BEADLP Cc1cnc([C@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000125259502 384705627 /nfs/dbraw/zinc/70/56/27/384705627.db2.gz BVWJWIIIBGAZBO-JTQLQIEISA-N 2 2 239.388 2.196 20 0 BEADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000083056188 384742169 /nfs/dbraw/zinc/74/21/69/384742169.db2.gz DYIKHJSAHONDAV-CYBMUJFWSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000647550734 384764980 /nfs/dbraw/zinc/76/49/80/384764980.db2.gz FDOQEMJYDGGXJX-RWSFTLGLSA-N 2 2 248.345 2.401 20 0 BEADLP CCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104720389 384837834 /nfs/dbraw/zinc/83/78/34/384837834.db2.gz HEXDYGIKARGGDL-UHFFFAOYSA-N 2 2 249.358 2.012 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000310022318 384789653 /nfs/dbraw/zinc/78/96/53/384789653.db2.gz NZUJLXTZRUIBSU-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000310022318 384789660 /nfs/dbraw/zinc/78/96/60/384789660.db2.gz NZUJLXTZRUIBSU-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000310023788 384790298 /nfs/dbraw/zinc/79/02/98/384790298.db2.gz OLHJBMQJQDOVPN-YWPUVAFDSA-N 2 2 222.376 2.390 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000310023788 384790301 /nfs/dbraw/zinc/79/03/01/384790301.db2.gz OLHJBMQJQDOVPN-YWPUVAFDSA-N 2 2 222.376 2.390 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423312298 384796677 /nfs/dbraw/zinc/79/66/77/384796677.db2.gz RNAHXXCQBPVKHC-AWEZNQCLSA-N 2 2 236.334 2.402 20 0 BEADLP CC1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000163399862 384798109 /nfs/dbraw/zinc/79/81/09/384798109.db2.gz YSUBYLIVZBOAML-UHFFFAOYSA-N 2 2 245.370 2.439 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC000403686406 384848907 /nfs/dbraw/zinc/84/89/07/384848907.db2.gz RDWMSCCULQHINT-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[N@H+](C)C1CC1 ZINC000403695774 384851466 /nfs/dbraw/zinc/85/14/66/384851466.db2.gz SIPYYPMTOLYCJK-YIYPIFLZSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000403695774 384851471 /nfs/dbraw/zinc/85/14/71/384851471.db2.gz SIPYYPMTOLYCJK-YIYPIFLZSA-N 2 2 236.403 2.495 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423393085 384851753 /nfs/dbraw/zinc/85/17/53/384851753.db2.gz YFLOSNHRLBMBQF-YGRLFVJLSA-N 2 2 236.334 2.401 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C(C1CC1)C1CC1)CCCC2 ZINC000367438775 384912398 /nfs/dbraw/zinc/91/23/98/384912398.db2.gz PEGKBKVLLSZKJP-UHFFFAOYSA-N 2 2 245.370 2.498 20 0 BEADLP CSc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000258764331 384944490 /nfs/dbraw/zinc/94/44/90/384944490.db2.gz AHDXMCNWABPHGV-LBPRGKRZSA-N 2 2 236.384 2.250 20 0 BEADLP CSc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000258764328 384944881 /nfs/dbraw/zinc/94/48/81/384944881.db2.gz AHDXMCNWABPHGV-GFCCVEGCSA-N 2 2 236.384 2.250 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261587699 384965472 /nfs/dbraw/zinc/96/54/72/384965472.db2.gz VDBWABGFIWPBQH-NWDGAFQWSA-N 2 2 247.342 2.236 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358325536 384969321 /nfs/dbraw/zinc/96/93/21/384969321.db2.gz FFAITCFLAZXGEJ-DOMZBBRYSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358325536 384969326 /nfs/dbraw/zinc/96/93/26/384969326.db2.gz FFAITCFLAZXGEJ-DOMZBBRYSA-N 2 2 248.370 2.043 20 0 BEADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000152158936 384971817 /nfs/dbraw/zinc/97/18/17/384971817.db2.gz PPGPGSMPEBTMSR-ZDUSSCGKSA-N 2 2 247.386 2.434 20 0 BEADLP CCC[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000187725064 384976556 /nfs/dbraw/zinc/97/65/56/384976556.db2.gz BLKHCSSPHWFYQN-LBPRGKRZSA-N 2 2 248.374 2.096 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2cc(C)ns2)CC1 ZINC000404424835 384992285 /nfs/dbraw/zinc/99/22/85/384992285.db2.gz XSMCSELVIQJREF-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000043327589 385001362 /nfs/dbraw/zinc/00/13/62/385001362.db2.gz ZFRAJAXWPLGORY-QWRGUYRKSA-N 2 2 224.373 2.459 20 0 BEADLP CCCC(CCC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130065196 385020282 /nfs/dbraw/zinc/02/02/82/385020282.db2.gz HBMZLFZQFUNFOV-NSHDSACASA-N 2 2 200.370 2.495 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157074100 385063844 /nfs/dbraw/zinc/06/38/44/385063844.db2.gz SAZGSUZVQJRIJL-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000157074100 385063848 /nfs/dbraw/zinc/06/38/48/385063848.db2.gz SAZGSUZVQJRIJL-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000340477812 385069271 /nfs/dbraw/zinc/06/92/71/385069271.db2.gz IKCDAFYKCOINQS-VXGBXAGGSA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)C1([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000340477812 385069277 /nfs/dbraw/zinc/06/92/77/385069277.db2.gz IKCDAFYKCOINQS-VXGBXAGGSA-N 2 2 222.376 2.390 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C ZINC000157105333 385073430 /nfs/dbraw/zinc/07/34/30/385073430.db2.gz IUFSTFDKBQFZTA-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C ZINC000157105333 385073441 /nfs/dbraw/zinc/07/34/41/385073441.db2.gz IUFSTFDKBQFZTA-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000128364432 385027010 /nfs/dbraw/zinc/02/70/10/385027010.db2.gz KTDWQMUSSHYTCO-AWEZNQCLSA-N 2 2 245.301 2.299 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000310787959 385042690 /nfs/dbraw/zinc/04/26/90/385042690.db2.gz QFFBKYQDHKLKBX-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000310787959 385042693 /nfs/dbraw/zinc/04/26/93/385042693.db2.gz QFFBKYQDHKLKBX-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP c1cn2c(cccc2C[NH+]2C3CCC2CC3)[nH+]1 ZINC000557620708 385046101 /nfs/dbraw/zinc/04/61/01/385046101.db2.gz ZFONUEINLJLGTJ-UHFFFAOYSA-N 2 2 227.311 2.461 20 0 BEADLP Cc1cc(NCc2c[nH+]c(C)cc2C)cc[nH+]1 ZINC000336257521 385104026 /nfs/dbraw/zinc/10/40/26/385104026.db2.gz WPXQMWJBXGTRTQ-UHFFFAOYSA-N 2 2 227.311 2.436 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H](O)C2CCC2)c[nH+]1 ZINC000449740594 385107393 /nfs/dbraw/zinc/10/73/93/385107393.db2.gz QDCLLTIGVSGMPZ-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+](C)C)CC(C)(C)C1 ZINC000019279439 385183711 /nfs/dbraw/zinc/18/37/11/385183711.db2.gz VDBLEXLJBNFLJP-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705694 385184780 /nfs/dbraw/zinc/18/47/80/385184780.db2.gz WQDUEWAYHKRNJK-UHFFFAOYSA-N 2 2 246.276 2.145 20 0 BEADLP Cc1cncc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000189898188 385196018 /nfs/dbraw/zinc/19/60/18/385196018.db2.gz JCMRABCHRDPHHH-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cncc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000189898188 385196025 /nfs/dbraw/zinc/19/60/25/385196025.db2.gz JCMRABCHRDPHHH-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cncc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000189898188 385196029 /nfs/dbraw/zinc/19/60/29/385196029.db2.gz JCMRABCHRDPHHH-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cncc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000189898188 385196035 /nfs/dbraw/zinc/19/60/35/385196035.db2.gz JCMRABCHRDPHHH-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)o1 ZINC000151967322 385146176 /nfs/dbraw/zinc/14/61/76/385146176.db2.gz LVIFNLMMMZAKTJ-LLVKDONJSA-N 2 2 224.348 2.444 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000189533931 385161566 /nfs/dbraw/zinc/16/15/66/385161566.db2.gz XRTMGWYDVQNHRF-DCBWTQNWSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000189533931 385161573 /nfs/dbraw/zinc/16/15/73/385161573.db2.gz XRTMGWYDVQNHRF-DCBWTQNWSA-N 2 2 240.391 2.015 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1C[C@H](C)[C@H]1C)C1CC1 ZINC000308884193 385240023 /nfs/dbraw/zinc/24/00/23/385240023.db2.gz FWABPEWANDGISF-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@H](C)[C@H]1C)C1CC1 ZINC000308884193 385240027 /nfs/dbraw/zinc/24/00/27/385240027.db2.gz FWABPEWANDGISF-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000157944578 385315725 /nfs/dbraw/zinc/31/57/25/385315725.db2.gz ATFLCEMJVGYENV-NWDGAFQWSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157943414 385316731 /nfs/dbraw/zinc/31/67/31/385316731.db2.gz DORVVXDCAIADHB-NWDGAFQWSA-N 2 2 238.350 2.296 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400801480 533111142 /nfs/dbraw/zinc/11/11/42/533111142.db2.gz USUYENNMOZACLD-XUJVJEKNSA-N 2 2 248.370 2.486 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)C1CCC1)C1CC1 ZINC000178442061 385262920 /nfs/dbraw/zinc/26/29/20/385262920.db2.gz CDSMOVKXZNYDGP-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)C1CCC1)C1CC1 ZINC000178442061 385262924 /nfs/dbraw/zinc/26/29/24/385262924.db2.gz CDSMOVKXZNYDGP-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC[NH3+] ZINC000037713038 385269055 /nfs/dbraw/zinc/26/90/55/385269055.db2.gz NLGVVGIBIBFYBZ-MRVPVSSYSA-N 2 2 241.404 2.358 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000234037812 385273032 /nfs/dbraw/zinc/27/30/32/385273032.db2.gz WTRUFLKVLDMVES-KBPBESRZSA-N 2 2 218.344 2.479 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C ZINC000308915204 385281243 /nfs/dbraw/zinc/28/12/43/385281243.db2.gz BBJBNCUHCQDTDC-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000449135987 385294774 /nfs/dbraw/zinc/29/47/74/385294774.db2.gz SSZYVSOZAVRMFR-RYUDHWBXSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000449135987 385294778 /nfs/dbraw/zinc/29/47/78/385294778.db2.gz SSZYVSOZAVRMFR-RYUDHWBXSA-N 2 2 236.359 2.283 20 0 BEADLP Cc1occc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000309063809 385390580 /nfs/dbraw/zinc/39/05/80/385390580.db2.gz XWWDEVCAKNXNQL-JTQLQIEISA-N 2 2 210.321 2.018 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000309062855 385390607 /nfs/dbraw/zinc/39/06/07/385390607.db2.gz XQYMRMGTNFYSSM-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000309062855 385390609 /nfs/dbraw/zinc/39/06/09/385390609.db2.gz XQYMRMGTNFYSSM-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000168613334 385379336 /nfs/dbraw/zinc/37/93/36/385379336.db2.gz DGSWCETUTKZKLX-WFASDCNBSA-N 2 2 232.371 2.084 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1nccc2ccccc21 ZINC000647496024 385380315 /nfs/dbraw/zinc/38/03/15/385380315.db2.gz CQINQKYIYROAHZ-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1nccc2ccccc21 ZINC000647496024 385380320 /nfs/dbraw/zinc/38/03/20/385380320.db2.gz CQINQKYIYROAHZ-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309048474 385381725 /nfs/dbraw/zinc/38/17/25/385381725.db2.gz POSPMTYJSSDDGF-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309048474 385381728 /nfs/dbraw/zinc/38/17/28/385381728.db2.gz POSPMTYJSSDDGF-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc2cnccc2c1 ZINC000647496149 385384093 /nfs/dbraw/zinc/38/40/93/385384093.db2.gz WYEWXRNMBAQNRM-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000647496149 385384095 /nfs/dbraw/zinc/38/40/95/385384095.db2.gz WYEWXRNMBAQNRM-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CC[C@](C)(C[NH2+]CC[NH+]1CCC(C)CC1)OC ZINC000319986301 385384854 /nfs/dbraw/zinc/38/48/54/385384854.db2.gz XWEYJCBMZUPIEB-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000309062854 385391417 /nfs/dbraw/zinc/39/14/17/385391417.db2.gz XQYMRMGTNFYSSM-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000309062854 385391423 /nfs/dbraw/zinc/39/14/23/385391423.db2.gz XQYMRMGTNFYSSM-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000309077459 385399079 /nfs/dbraw/zinc/39/90/79/385399079.db2.gz MFBIGHFCDAYCHS-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000309077459 385399083 /nfs/dbraw/zinc/39/90/83/385399083.db2.gz MFBIGHFCDAYCHS-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000155699703 385406832 /nfs/dbraw/zinc/40/68/32/385406832.db2.gz UXIVZNKGNMOVRY-GFCCVEGCSA-N 2 2 247.317 2.243 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309090863 385414203 /nfs/dbraw/zinc/41/42/03/385414203.db2.gz BBXCYDLGJCPQEB-YPMHNXCESA-N 2 2 208.349 2.025 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309090863 385414207 /nfs/dbraw/zinc/41/42/07/385414207.db2.gz BBXCYDLGJCPQEB-YPMHNXCESA-N 2 2 208.349 2.025 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)[NH+](C)C ZINC000157365039 385497684 /nfs/dbraw/zinc/49/76/84/385497684.db2.gz JIFGOYOUGFHMOU-VXGBXAGGSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncn1 ZINC000453136184 385544850 /nfs/dbraw/zinc/54/48/50/385544850.db2.gz PTKCLUUMKPZTOY-YNEHKIRRSA-N 2 2 248.374 2.000 20 0 BEADLP CC[NH+](CC)CCSCCCn1cc[nH+]c1 ZINC000180437840 385522927 /nfs/dbraw/zinc/52/29/27/385522927.db2.gz FMHNNXXQQOEVEU-UHFFFAOYSA-N 2 2 241.404 2.348 20 0 BEADLP C[NH+](C)[C@@]1(C[NH2+]CCC(C)(C)C)CCSC1 ZINC000309407204 385572710 /nfs/dbraw/zinc/57/27/10/385572710.db2.gz BCSXSRJCZNRMRI-CYBMUJFWSA-N 2 2 244.448 2.450 20 0 BEADLP CCN(CC)c1ccc(NC2CC[NH2+]CC2)c[nH+]1 ZINC000038041095 385599255 /nfs/dbraw/zinc/59/92/55/385599255.db2.gz JUONAXMLUXJSAD-UHFFFAOYSA-N 2 2 248.374 2.092 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1CC1(C)C ZINC000309458197 385590040 /nfs/dbraw/zinc/59/00/40/385590040.db2.gz OAWIODQMGZWHNT-QNWHQSFQSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1CC1(C)C ZINC000309458197 385590042 /nfs/dbraw/zinc/59/00/42/385590042.db2.gz OAWIODQMGZWHNT-QNWHQSFQSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)Oc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414849521 385623646 /nfs/dbraw/zinc/62/36/46/385623646.db2.gz RKVCLOFHISQAHJ-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597174907 385664880 /nfs/dbraw/zinc/66/48/80/385664880.db2.gz ZJYBVVGSOMVHSW-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000597174907 385664884 /nfs/dbraw/zinc/66/48/84/385664884.db2.gz ZJYBVVGSOMVHSW-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP COCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000337385273 385637667 /nfs/dbraw/zinc/63/76/67/385637667.db2.gz HHQYSPXDYTVODN-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414850435 385638699 /nfs/dbraw/zinc/63/86/99/385638699.db2.gz SFDOQXLCSSNDPA-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[NH+](C)C ZINC000309503983 385640950 /nfs/dbraw/zinc/64/09/50/385640950.db2.gz VLADJUBMTQPYSL-STQMWFEESA-N 2 2 220.360 2.330 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000309512553 385647179 /nfs/dbraw/zinc/64/71/79/385647179.db2.gz XVBNNOSOIOASQD-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000309516998 385650617 /nfs/dbraw/zinc/65/06/17/385650617.db2.gz YYGPHZZCURONOY-LOWVWBTDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000309516998 385650624 /nfs/dbraw/zinc/65/06/24/385650624.db2.gz YYGPHZZCURONOY-LOWVWBTDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000336734362 385665986 /nfs/dbraw/zinc/66/59/86/385665986.db2.gz HHHOAONDMDBUSF-WOPDTQHZSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000309542356 385683348 /nfs/dbraw/zinc/68/33/48/385683348.db2.gz GSACOZJODMXIHL-GFCCVEGCSA-N 2 2 221.348 2.224 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414853336 385686846 /nfs/dbraw/zinc/68/68/46/385686846.db2.gz XNOIKGOTGVNRKT-ZDUSSCGKSA-N 2 2 238.762 2.490 20 0 BEADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182789905 385707411 /nfs/dbraw/zinc/70/74/11/385707411.db2.gz ZTZCKXKPZHSHMT-NEPJUHHUSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@@H]1[C@H](C)SCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182789905 385707414 /nfs/dbraw/zinc/70/74/14/385707414.db2.gz ZTZCKXKPZHSHMT-NEPJUHHUSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(C)CC1 ZINC000309586657 385710733 /nfs/dbraw/zinc/71/07/33/385710733.db2.gz RYQMOYGQDHXDLJ-VHSXEESVSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1(C)CC1 ZINC000309586657 385710737 /nfs/dbraw/zinc/71/07/37/385710737.db2.gz RYQMOYGQDHXDLJ-VHSXEESVSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCSC1 ZINC000186738592 385785573 /nfs/dbraw/zinc/78/55/73/385785573.db2.gz OOBNIEBEBMSNMN-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000414858466 385736057 /nfs/dbraw/zinc/73/60/57/385736057.db2.gz JNFPEUCLJXDOCO-UHFFFAOYSA-N 2 2 244.741 2.487 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cncs2)CCCCCC1 ZINC000414858738 385736995 /nfs/dbraw/zinc/73/69/95/385736995.db2.gz KYFMFRCQVVAGRL-UHFFFAOYSA-N 2 2 239.388 2.284 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)nc2)C1 ZINC000414552877 385748138 /nfs/dbraw/zinc/74/81/38/385748138.db2.gz QRLCEAHXEITRBJ-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)nc2)C1 ZINC000414552877 385748142 /nfs/dbraw/zinc/74/81/42/385748142.db2.gz QRLCEAHXEITRBJ-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000270825699 385749381 /nfs/dbraw/zinc/74/93/81/385749381.db2.gz KLVHQRQOLUXJQL-LBPRGKRZSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000270825699 385749384 /nfs/dbraw/zinc/74/93/84/385749384.db2.gz KLVHQRQOLUXJQL-LBPRGKRZSA-N 2 2 207.321 2.004 20 0 BEADLP CCc1cccc(F)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414861719 385753128 /nfs/dbraw/zinc/75/31/28/385753128.db2.gz GDWXLBOPQWKVKC-LBPRGKRZSA-N 2 2 236.334 2.230 20 0 BEADLP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCSC1 ZINC000186738552 385784324 /nfs/dbraw/zinc/78/43/24/385784324.db2.gz OOBNIEBEBMSNMN-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000414952107 385823988 /nfs/dbraw/zinc/82/39/88/385823988.db2.gz ICAFPBJKFKQWFU-LLVKDONJSA-N 2 2 224.323 2.222 20 0 BEADLP CC[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977874 385825235 /nfs/dbraw/zinc/82/52/35/385825235.db2.gz NYSYYBYPLUGDGP-NEPJUHHUSA-N 2 2 237.347 2.014 20 0 BEADLP CC[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977874 385825237 /nfs/dbraw/zinc/82/52/37/385825237.db2.gz NYSYYBYPLUGDGP-NEPJUHHUSA-N 2 2 237.347 2.014 20 0 BEADLP CCC[NH2+]CC[NH2+]C/C=C\c1ccccc1 ZINC000414871833 385858637 /nfs/dbraw/zinc/85/86/37/385858637.db2.gz OOFZEPQYZYOQIY-TWGQIWQCSA-N 2 2 218.344 2.289 20 0 BEADLP CCC[NH2+]CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414870380 385847368 /nfs/dbraw/zinc/84/73/68/385847368.db2.gz MJCNBFWDPDHZRI-ARJAWSKDSA-N 2 2 236.334 2.428 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCCC1 ZINC000309687322 385788625 /nfs/dbraw/zinc/78/86/25/385788625.db2.gz HTMSOPXKLYEQCJ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCCC1 ZINC000309687322 385788627 /nfs/dbraw/zinc/78/86/27/385788627.db2.gz HTMSOPXKLYEQCJ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1noc(C)c1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814627 385868443 /nfs/dbraw/zinc/86/84/43/385868443.db2.gz WPYCXRMWZZJHAN-UHFFFAOYSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1noc(C)c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814627 385868447 /nfs/dbraw/zinc/86/84/47/385868447.db2.gz WPYCXRMWZZJHAN-UHFFFAOYSA-N 2 2 249.358 2.008 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000221153647 385981336 /nfs/dbraw/zinc/98/13/36/385981336.db2.gz BJWDXUONEQPGCF-UKRRQHHQSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000221153647 385981341 /nfs/dbraw/zinc/98/13/41/385981341.db2.gz BJWDXUONEQPGCF-UKRRQHHQSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@H](C[NH2+]C[C@@H](C)Cc1ccccc1)[NH+](C)C ZINC000273260734 385982116 /nfs/dbraw/zinc/98/21/16/385982116.db2.gz XYKBFGNFPXTVKX-UONOGXRCSA-N 2 2 234.387 2.405 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000335042113 385936130 /nfs/dbraw/zinc/93/61/30/385936130.db2.gz LXIOVSJVJCBNMA-TVQRCGJNSA-N 2 2 240.297 2.367 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335044614 385938799 /nfs/dbraw/zinc/93/87/99/385938799.db2.gz VROWLVMXJDOIEK-OCCSQVGLSA-N 2 2 234.318 2.155 20 0 BEADLP CCCc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414878933 385943591 /nfs/dbraw/zinc/94/35/91/385943591.db2.gz IADKURPBYHBILH-AWEZNQCLSA-N 2 2 218.344 2.091 20 0 BEADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@H]1C ZINC000414077834 385949458 /nfs/dbraw/zinc/94/94/58/385949458.db2.gz ZKAGTTVLBUDEEB-BZPMIXESSA-N 2 2 247.386 2.396 20 0 BEADLP C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCC[NH2+]1 ZINC000335057120 385955339 /nfs/dbraw/zinc/95/53/39/385955339.db2.gz XJGLYPNOZWBVST-GXFFZTMASA-N 2 2 231.343 2.207 20 0 BEADLP [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058176 385958386 /nfs/dbraw/zinc/95/83/86/385958386.db2.gz YQWMDFALPTZHEZ-RISCZKNCSA-N 2 2 231.343 2.194 20 0 BEADLP [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058174 385959459 /nfs/dbraw/zinc/95/94/59/385959459.db2.gz YQWMDFALPTZHEZ-FZMZJTMJSA-N 2 2 231.343 2.194 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)o1 ZINC000335059538 385961099 /nfs/dbraw/zinc/96/10/99/385961099.db2.gz CIUFISUCWXLVJT-NEPJUHHUSA-N 2 2 222.332 2.381 20 0 BEADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000647863754 385962076 /nfs/dbraw/zinc/96/20/76/385962076.db2.gz JSBMRADHXPRBAP-GXTWGEPZSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCC2CCCC2)CCO1 ZINC000647863754 385962081 /nfs/dbraw/zinc/96/20/81/385962081.db2.gz JSBMRADHXPRBAP-GXTWGEPZSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000285760370 385963708 /nfs/dbraw/zinc/96/37/08/385963708.db2.gz SDKXGLNOUMOABB-STQMWFEESA-N 2 2 244.342 2.326 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000336747191 385969845 /nfs/dbraw/zinc/96/98/45/385969845.db2.gz CDTXPPJKPPBZSU-SDDRHHMPSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000336747191 385969849 /nfs/dbraw/zinc/96/98/49/385969849.db2.gz CDTXPPJKPPBZSU-SDDRHHMPSA-N 2 2 210.365 2.105 20 0 BEADLP CC/C=C/C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000295134371 385974390 /nfs/dbraw/zinc/97/43/90/385974390.db2.gz YXMLIPOQQUZRRB-ONEGZZNKSA-N 2 2 215.300 2.390 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414149531 385997777 /nfs/dbraw/zinc/99/77/77/385997777.db2.gz XQULFJWVZVGGFN-BFHYXJOUSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414149531 385997781 /nfs/dbraw/zinc/99/77/81/385997781.db2.gz XQULFJWVZVGGFN-BFHYXJOUSA-N 2 2 222.376 2.273 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414111670 386006457 /nfs/dbraw/zinc/00/64/57/386006457.db2.gz JDHQPLQNDFNEKP-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414111670 386006462 /nfs/dbraw/zinc/00/64/62/386006462.db2.gz JDHQPLQNDFNEKP-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C ZINC000414114504 386009001 /nfs/dbraw/zinc/00/90/01/386009001.db2.gz OQPYTCJTYAFXIF-XMKDAVRRSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C ZINC000414114504 386009005 /nfs/dbraw/zinc/00/90/05/386009005.db2.gz OQPYTCJTYAFXIF-XMKDAVRRSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121553 386013404 /nfs/dbraw/zinc/01/34/04/386013404.db2.gz ZSRXJHHQBFOHRM-FGPLHTHASA-N 2 2 222.376 2.246 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121553 386013409 /nfs/dbraw/zinc/01/34/09/386013409.db2.gz ZSRXJHHQBFOHRM-FGPLHTHASA-N 2 2 222.376 2.246 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000414121254 386014612 /nfs/dbraw/zinc/01/46/12/386014612.db2.gz GFCCHGXNAHQCHE-AWEZNQCLSA-N 2 2 233.359 2.131 20 0 BEADLP C[C@]1(F)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000295342542 386016952 /nfs/dbraw/zinc/01/69/52/386016952.db2.gz ICALVLQBFSBYBN-LBPRGKRZSA-N 2 2 225.311 2.097 20 0 BEADLP C[C@]1(F)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000295342542 386016960 /nfs/dbraw/zinc/01/69/60/386016960.db2.gz ICALVLQBFSBYBN-LBPRGKRZSA-N 2 2 225.311 2.097 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335062498 386028805 /nfs/dbraw/zinc/02/88/05/386028805.db2.gz QLEYDUJFWFWPLL-DZGCQCFKSA-N 2 2 230.355 2.406 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336770791 386029463 /nfs/dbraw/zinc/02/94/63/386029463.db2.gz VWYUSTYOAPJBQF-NWDGAFQWSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000221997495 386031072 /nfs/dbraw/zinc/03/10/72/386031072.db2.gz XESFIQWNURMROU-MNOVXSKESA-N 2 2 248.305 2.157 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000414977362 386032147 /nfs/dbraw/zinc/03/21/47/386032147.db2.gz JSLXYFULXHSYTC-SNVBAGLBSA-N 2 2 244.285 2.115 20 0 BEADLP CN(c1cccc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286443522 386037073 /nfs/dbraw/zinc/03/70/73/386037073.db2.gz RNFDFCQSXOMMOK-FUNVUKJBSA-N 2 2 231.343 2.143 20 0 BEADLP CN(c1cccc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286443522 386037080 /nfs/dbraw/zinc/03/70/80/386037080.db2.gz RNFDFCQSXOMMOK-FUNVUKJBSA-N 2 2 231.343 2.143 20 0 BEADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419634 385996818 /nfs/dbraw/zinc/99/68/18/385996818.db2.gz QRAPCWWELYHIJA-STQMWFEESA-N 2 2 249.358 2.014 20 0 BEADLP CO[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419634 385996824 /nfs/dbraw/zinc/99/68/24/385996824.db2.gz QRAPCWWELYHIJA-STQMWFEESA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cn[nH]c1 ZINC000340521501 386121027 /nfs/dbraw/zinc/12/10/27/386121027.db2.gz LJUIIWGSJSUOHB-LMWSTFAQSA-N 2 2 248.374 2.077 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335073161 386065730 /nfs/dbraw/zinc/06/57/30/386065730.db2.gz HOFWYEYVVLIMBD-DZGCQCFKSA-N 2 2 230.355 2.324 20 0 BEADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000334449071 386083412 /nfs/dbraw/zinc/08/34/12/386083412.db2.gz RSYYNRUUXCZIEO-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP C[N@H+]1CCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000334449071 386083417 /nfs/dbraw/zinc/08/34/17/386083417.db2.gz RSYYNRUUXCZIEO-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000296204792 386148603 /nfs/dbraw/zinc/14/86/03/386148603.db2.gz ZHQIJVBCZYCWFK-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000296204792 386148608 /nfs/dbraw/zinc/14/86/08/386148608.db2.gz ZHQIJVBCZYCWFK-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000296204792 386148617 /nfs/dbraw/zinc/14/86/17/386148617.db2.gz ZHQIJVBCZYCWFK-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000296204792 386148622 /nfs/dbraw/zinc/14/86/22/386148622.db2.gz ZHQIJVBCZYCWFK-DZGCQCFKSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000296204797 386149651 /nfs/dbraw/zinc/14/96/51/386149651.db2.gz ZHQIJVBCZYCWFK-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000296204797 386149656 /nfs/dbraw/zinc/14/96/56/386149656.db2.gz ZHQIJVBCZYCWFK-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000296204797 386149658 /nfs/dbraw/zinc/14/96/58/386149658.db2.gz ZHQIJVBCZYCWFK-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000296204797 386149662 /nfs/dbraw/zinc/14/96/62/386149662.db2.gz ZHQIJVBCZYCWFK-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000296242431 386153167 /nfs/dbraw/zinc/15/31/67/386153167.db2.gz AXUHKMIFKCZQKS-LLVKDONJSA-N 2 2 230.315 2.006 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC=CCC2)CCC[N@@H+]1C ZINC000336722723 386164623 /nfs/dbraw/zinc/16/46/23/386164623.db2.gz ATHWDNCFXVSPMQ-MGPQQGTHSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC=CCC2)CCC[N@H+]1C ZINC000336722723 386164628 /nfs/dbraw/zinc/16/46/28/386164628.db2.gz ATHWDNCFXVSPMQ-MGPQQGTHSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336753688 386173241 /nfs/dbraw/zinc/17/32/41/386173241.db2.gz WMKDBQSEDOSIJQ-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336753688 386173247 /nfs/dbraw/zinc/17/32/47/386173247.db2.gz WMKDBQSEDOSIJQ-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000054465537 386127975 /nfs/dbraw/zinc/12/79/75/386127975.db2.gz PSDUHOQYEJOABO-NSHDSACASA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465537 386127978 /nfs/dbraw/zinc/12/79/78/386127978.db2.gz PSDUHOQYEJOABO-NSHDSACASA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000054465539 386128241 /nfs/dbraw/zinc/12/82/41/386128241.db2.gz PSDUHOQYEJOABO-LLVKDONJSA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465539 386128243 /nfs/dbraw/zinc/12/82/43/386128243.db2.gz PSDUHOQYEJOABO-LLVKDONJSA-N 2 2 232.352 2.434 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccncc1C ZINC000296057589 386128692 /nfs/dbraw/zinc/12/86/92/386128692.db2.gz PCNRRBYLQPSAKR-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cccc(OCC)c1 ZINC000414890452 386128683 /nfs/dbraw/zinc/12/86/83/386128683.db2.gz VBUJPFGLRKMHMA-UHFFFAOYSA-N 2 2 236.359 2.175 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccncc1C ZINC000296057589 386128698 /nfs/dbraw/zinc/12/86/98/386128698.db2.gz PCNRRBYLQPSAKR-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1C1CC1 ZINC000414346945 386136116 /nfs/dbraw/zinc/13/61/16/386136116.db2.gz VESCDXBUYCGGOB-CDGCEXEKSA-N 2 2 246.354 2.350 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1C1CC1 ZINC000414346945 386136119 /nfs/dbraw/zinc/13/61/19/386136119.db2.gz VESCDXBUYCGGOB-CDGCEXEKSA-N 2 2 246.354 2.350 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000275333664 386200831 /nfs/dbraw/zinc/20/08/31/386200831.db2.gz WLZQBTDEIPJEDR-OKILXGFUSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000275333664 386200835 /nfs/dbraw/zinc/20/08/35/386200835.db2.gz WLZQBTDEIPJEDR-OKILXGFUSA-N 2 2 248.370 2.432 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000414896394 386201289 /nfs/dbraw/zinc/20/12/89/386201289.db2.gz PACMXJZLLUQJLJ-ZDUSSCGKSA-N 2 2 230.311 2.260 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)ccc1F ZINC000131565527 386209869 /nfs/dbraw/zinc/20/98/69/386209869.db2.gz SAJXSMHVYNKMOQ-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(F)ccc1F ZINC000131565527 386209879 /nfs/dbraw/zinc/20/98/79/386209879.db2.gz SAJXSMHVYNKMOQ-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000414897299 386216595 /nfs/dbraw/zinc/21/65/95/386216595.db2.gz RCYLTERYJJZQFW-CYBMUJFWSA-N 2 2 248.301 2.399 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccn1 ZINC000414712032 386227987 /nfs/dbraw/zinc/22/79/87/386227987.db2.gz SDQWZLXPQLWHCY-OLZOCXBDSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000414712032 386227990 /nfs/dbraw/zinc/22/79/90/386227990.db2.gz SDQWZLXPQLWHCY-OLZOCXBDSA-N 2 2 235.375 2.448 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000347141902 386260403 /nfs/dbraw/zinc/26/04/03/386260403.db2.gz HXKPWOLKDLYGLD-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000347141902 386260405 /nfs/dbraw/zinc/26/04/05/386260405.db2.gz HXKPWOLKDLYGLD-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000347111876 386232658 /nfs/dbraw/zinc/23/26/58/386232658.db2.gz QELNFMHZIMOXRQ-XOULXFPDSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000347111876 386232665 /nfs/dbraw/zinc/23/26/65/386232665.db2.gz QELNFMHZIMOXRQ-XOULXFPDSA-N 2 2 240.297 2.257 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347120063 386234251 /nfs/dbraw/zinc/23/42/51/386234251.db2.gz JZSXCFWFYJDAQT-DGCLKSJQSA-N 2 2 238.306 2.283 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347120063 386234255 /nfs/dbraw/zinc/23/42/55/386234255.db2.gz JZSXCFWFYJDAQT-DGCLKSJQSA-N 2 2 238.306 2.283 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347120064 386235100 /nfs/dbraw/zinc/23/51/00/386235100.db2.gz JZSXCFWFYJDAQT-WCQYABFASA-N 2 2 238.306 2.283 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347120064 386235103 /nfs/dbraw/zinc/23/51/03/386235103.db2.gz JZSXCFWFYJDAQT-WCQYABFASA-N 2 2 238.306 2.283 20 0 BEADLP c1cn(CCC[N@@H+]2CCCc3occc3C2)c[nH+]1 ZINC000288833911 386235348 /nfs/dbraw/zinc/23/53/48/386235348.db2.gz OAOWDIZANCDUJI-UHFFFAOYSA-N 2 2 245.326 2.315 20 0 BEADLP c1cn(CCC[N@H+]2CCCc3occc3C2)c[nH+]1 ZINC000288833911 386235353 /nfs/dbraw/zinc/23/53/53/386235353.db2.gz OAOWDIZANCDUJI-UHFFFAOYSA-N 2 2 245.326 2.315 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347120065 386235530 /nfs/dbraw/zinc/23/55/30/386235530.db2.gz JZSXCFWFYJDAQT-YPMHNXCESA-N 2 2 238.306 2.283 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347120065 386235534 /nfs/dbraw/zinc/23/55/34/386235534.db2.gz JZSXCFWFYJDAQT-YPMHNXCESA-N 2 2 238.306 2.283 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638355612 386248726 /nfs/dbraw/zinc/24/87/26/386248726.db2.gz OMNYRCYFMVOGPT-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP CCCC[N@H+](CC[NH2+]C(C)(C)C)CCOC ZINC000414696287 386195464 /nfs/dbraw/zinc/19/54/64/386195464.db2.gz PDGXJROMXVFACR-UHFFFAOYSA-N 2 2 230.396 2.123 20 0 BEADLP CCCC[N@@H+](CC[NH2+]C(C)(C)C)CCOC ZINC000414696287 386195467 /nfs/dbraw/zinc/19/54/67/386195467.db2.gz PDGXJROMXVFACR-UHFFFAOYSA-N 2 2 230.396 2.123 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCOCC23CC3)c[nH+]1 ZINC000338994824 386197821 /nfs/dbraw/zinc/19/78/21/386197821.db2.gz CEWIGZQJRJTAGF-UHFFFAOYSA-N 2 2 246.354 2.187 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCOCC23CC3)c[nH+]1 ZINC000338994824 386197827 /nfs/dbraw/zinc/19/78/27/386197827.db2.gz CEWIGZQJRJTAGF-UHFFFAOYSA-N 2 2 246.354 2.187 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[N@H+](C)C1CC1 ZINC000336730900 386288907 /nfs/dbraw/zinc/28/89/07/386288907.db2.gz FAFWTWGYPFBQIG-GMXVVIOVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[N@@H+](C)C1CC1 ZINC000336730900 386288915 /nfs/dbraw/zinc/28/89/15/386288915.db2.gz FAFWTWGYPFBQIG-GMXVVIOVSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCCO1 ZINC000289358829 386289931 /nfs/dbraw/zinc/28/99/31/386289931.db2.gz YKDLGAYMMVGAIO-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP CCn1c[nH+]cc1CNc1[nH+]cccc1C ZINC000416428430 386302690 /nfs/dbraw/zinc/30/26/90/386302690.db2.gz UQLMQPKMSASHAJ-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP CCn1c[nH+]cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000416429823 386304739 /nfs/dbraw/zinc/30/47/39/386304739.db2.gz XHBGYGPYLGMKQO-UHFFFAOYSA-N 2 2 242.326 2.399 20 0 BEADLP CCC1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000453277518 386310827 /nfs/dbraw/zinc/31/08/27/386310827.db2.gz DESBREKQRWDOJS-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP CCC1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000453277518 386310830 /nfs/dbraw/zinc/31/08/30/386310830.db2.gz DESBREKQRWDOJS-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000415006276 386314556 /nfs/dbraw/zinc/31/45/56/386314556.db2.gz KGLBXVVLTHGUQM-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000289114014 386262787 /nfs/dbraw/zinc/26/27/87/386262787.db2.gz NENJZKHEYAQIIV-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H]1CCCO1 ZINC000289114014 386262789 /nfs/dbraw/zinc/26/27/89/386262789.db2.gz NENJZKHEYAQIIV-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP COc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347155545 386263270 /nfs/dbraw/zinc/26/32/70/386263270.db2.gz CYHLWURDDWMNGL-AWEZNQCLSA-N 2 2 246.354 2.022 20 0 BEADLP COc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347155545 386263273 /nfs/dbraw/zinc/26/32/73/386263273.db2.gz CYHLWURDDWMNGL-AWEZNQCLSA-N 2 2 246.354 2.022 20 0 BEADLP c1cncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366272502 386267427 /nfs/dbraw/zinc/26/74/27/386267427.db2.gz QHSFJZNGLBADCF-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP C[N@H+](CCC[NH+]1CCCC1)CCC(F)(F)F ZINC000336682295 386339641 /nfs/dbraw/zinc/33/96/41/386339641.db2.gz RGURIJLTDXQLCQ-UHFFFAOYSA-N 2 2 238.297 2.357 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCC1)CCC(F)(F)F ZINC000336682295 386339645 /nfs/dbraw/zinc/33/96/45/386339645.db2.gz RGURIJLTDXQLCQ-UHFFFAOYSA-N 2 2 238.297 2.357 20 0 BEADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CC1 ZINC000347349106 386342630 /nfs/dbraw/zinc/34/26/30/386342630.db2.gz VEXXCMNBFDWXFZ-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC1CC1 ZINC000347349106 386342633 /nfs/dbraw/zinc/34/26/33/386342633.db2.gz VEXXCMNBFDWXFZ-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+](CC[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000336687006 386348048 /nfs/dbraw/zinc/34/80/48/386348048.db2.gz XETJMCBHKGBBEU-SNVBAGLBSA-N 2 2 238.297 2.355 20 0 BEADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000336687006 386348051 /nfs/dbraw/zinc/34/80/51/386348051.db2.gz XETJMCBHKGBBEU-SNVBAGLBSA-N 2 2 238.297 2.355 20 0 BEADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCC(F)(F)F ZINC000336687006 386348052 /nfs/dbraw/zinc/34/80/52/386348052.db2.gz XETJMCBHKGBBEU-SNVBAGLBSA-N 2 2 238.297 2.355 20 0 BEADLP C[NH+](CC[C@H]1CCC[N@H+]1C)CCC(F)(F)F ZINC000336687006 386348054 /nfs/dbraw/zinc/34/80/54/386348054.db2.gz XETJMCBHKGBBEU-SNVBAGLBSA-N 2 2 238.297 2.355 20 0 BEADLP Cc1ccsc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000336691773 386362798 /nfs/dbraw/zinc/36/27/98/386362798.db2.gz CDKWALYYFSAYDU-UHFFFAOYSA-N 2 2 235.356 2.385 20 0 BEADLP Cc1ccsc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000336691773 386362805 /nfs/dbraw/zinc/36/28/05/386362805.db2.gz CDKWALYYFSAYDU-UHFFFAOYSA-N 2 2 235.356 2.385 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccccc1F ZINC000289993155 386382366 /nfs/dbraw/zinc/38/23/66/386382366.db2.gz KPOOKLIOSYZTHY-UHFFFAOYSA-N 2 2 247.317 2.234 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccccc1F ZINC000289993155 386382369 /nfs/dbraw/zinc/38/23/69/386382369.db2.gz KPOOKLIOSYZTHY-UHFFFAOYSA-N 2 2 247.317 2.234 20 0 BEADLP CC[N@H+](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265293688 386326811 /nfs/dbraw/zinc/32/68/11/386326811.db2.gz BVHJAGFGBRCBTN-UHFFFAOYSA-N 2 2 234.347 2.026 20 0 BEADLP CC[N@@H+](C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265293688 386326817 /nfs/dbraw/zinc/32/68/17/386326817.db2.gz BVHJAGFGBRCBTN-UHFFFAOYSA-N 2 2 234.347 2.026 20 0 BEADLP c1ccc2c(c1)cccc2C[NH2+][C@H]1CC[NH2+]C1 ZINC000094088748 386443505 /nfs/dbraw/zinc/44/35/05/386443505.db2.gz DJFVLLLBWMTXIB-AWEZNQCLSA-N 2 2 226.323 2.291 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000094078461 386445378 /nfs/dbraw/zinc/44/53/78/386445378.db2.gz RMPQGZKALXUFBW-ZIAGYGMSSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@@H](C)F)n2c1 ZINC000339491837 386446207 /nfs/dbraw/zinc/44/62/07/386446207.db2.gz OIGXXOPFZLCWTL-LLVKDONJSA-N 2 2 235.306 2.480 20 0 BEADLP COC[C@@H]1CCCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414754873 386390942 /nfs/dbraw/zinc/39/09/42/386390942.db2.gz GLNDFPSKAIBJAV-ZIAGYGMSSA-N 2 2 242.407 2.108 20 0 BEADLP COC[C@@H]1CCCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414754873 386390945 /nfs/dbraw/zinc/39/09/45/386390945.db2.gz GLNDFPSKAIBJAV-ZIAGYGMSSA-N 2 2 242.407 2.108 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(C)(C)O ZINC000290155137 386402273 /nfs/dbraw/zinc/40/22/73/386402273.db2.gz XAQJZLBPGFYSDB-UHFFFAOYSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(C)(C)O ZINC000290155137 386402277 /nfs/dbraw/zinc/40/22/77/386402277.db2.gz XAQJZLBPGFYSDB-UHFFFAOYSA-N 2 2 236.359 2.025 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H](C)C1 ZINC000414757843 386404916 /nfs/dbraw/zinc/40/49/16/386404916.db2.gz LVOGDSBQJKITJN-CHWSQXEVSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H](C)C1 ZINC000414757843 386404920 /nfs/dbraw/zinc/40/49/20/386404920.db2.gz LVOGDSBQJKITJN-CHWSQXEVSA-N 2 2 212.381 2.482 20 0 BEADLP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](C)[NH3+])s1 ZINC000442664576 386418766 /nfs/dbraw/zinc/41/87/66/386418766.db2.gz KGLHAEVJGSMDEE-SCZZXKLOSA-N 2 2 241.404 2.354 20 0 BEADLP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)[NH3+])s1 ZINC000442664576 386418767 /nfs/dbraw/zinc/41/87/67/386418767.db2.gz KGLHAEVJGSMDEE-SCZZXKLOSA-N 2 2 241.404 2.354 20 0 BEADLP Cn1c[nH+]cc1CNc1cccc(C2CC2)[nH+]1 ZINC000339429972 386423969 /nfs/dbraw/zinc/42/39/69/386423969.db2.gz XFXMIKIVNNARCS-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCOC(C)C ZINC000290389230 386428372 /nfs/dbraw/zinc/42/83/72/386428372.db2.gz OOFWROAVNKBEJQ-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000336714899 386432253 /nfs/dbraw/zinc/43/22/53/386432253.db2.gz QWIVAPMELUBWDA-OAHLLOKOSA-N 2 2 241.338 2.200 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000336714899 386432259 /nfs/dbraw/zinc/43/22/59/386432259.db2.gz QWIVAPMELUBWDA-OAHLLOKOSA-N 2 2 241.338 2.200 20 0 BEADLP CSCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266770646 386466731 /nfs/dbraw/zinc/46/67/31/386466731.db2.gz SEBQWBBZEDKANL-UHFFFAOYSA-N 2 2 239.388 2.342 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC12CCCC2 ZINC000336735819 386471566 /nfs/dbraw/zinc/47/15/66/386471566.db2.gz ONRICXNYQFMBEL-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP COc1ccccc1/C=C/C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414776454 386477693 /nfs/dbraw/zinc/47/76/93/386477693.db2.gz WVPWLQMZCDTWNU-COWJPUMTSA-N 2 2 246.354 2.130 20 0 BEADLP COc1ccccc1/C=C/C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414776454 386477695 /nfs/dbraw/zinc/47/76/95/386477695.db2.gz WVPWLQMZCDTWNU-COWJPUMTSA-N 2 2 246.354 2.130 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@H]1[NH3+] ZINC000647934969 386482759 /nfs/dbraw/zinc/48/27/59/386482759.db2.gz VSJZNONVKLLLHV-ZYHUDNBSSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@H]1[NH3+] ZINC000647934969 386482763 /nfs/dbraw/zinc/48/27/63/386482763.db2.gz VSJZNONVKLLLHV-ZYHUDNBSSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CC[C@H]1[NH3+] ZINC000647934685 386483350 /nfs/dbraw/zinc/48/33/50/386483350.db2.gz MQXNLTCJVDJCPY-IJLUTSLNSA-N 2 2 237.347 2.103 20 0 BEADLP CC[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CC[C@H]1[NH3+] ZINC000647934685 386483352 /nfs/dbraw/zinc/48/33/52/386483352.db2.gz MQXNLTCJVDJCPY-IJLUTSLNSA-N 2 2 237.347 2.103 20 0 BEADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1C ZINC000415043024 386529114 /nfs/dbraw/zinc/52/91/14/386529114.db2.gz REAHNCKXERKONU-AWEZNQCLSA-N 2 2 248.370 2.234 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339585493 386487426 /nfs/dbraw/zinc/48/74/26/386487426.db2.gz WSEQDANTMQNRSV-NWDGAFQWSA-N 2 2 237.322 2.128 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000417351495 386490172 /nfs/dbraw/zinc/49/01/72/386490172.db2.gz CVKNCOABNJDTTB-YNEHKIRRSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000417356000 386493282 /nfs/dbraw/zinc/49/32/82/386493282.db2.gz OWZAPRLDSVWVMF-UHFFFAOYSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)[C@H](C)[NH3+] ZINC000415015463 386500641 /nfs/dbraw/zinc/50/06/41/386500641.db2.gz NCUUHWBMQDRDGU-WDEREUQCSA-N 2 2 248.370 2.225 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC000336784107 386508577 /nfs/dbraw/zinc/50/85/77/386508577.db2.gz LJJVAXOICPXXMZ-CQSZACIVSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000336784107 386508584 /nfs/dbraw/zinc/50/85/84/386508584.db2.gz LJJVAXOICPXXMZ-CQSZACIVSA-N 2 2 247.386 2.475 20 0 BEADLP COc1ccc2oc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc2c1 ZINC000415019606 386508911 /nfs/dbraw/zinc/50/89/11/386508911.db2.gz SBQBKXAIVYMLFS-NXEZZACHSA-N 2 2 248.326 2.267 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000415051541 386509346 /nfs/dbraw/zinc/50/93/46/386509346.db2.gz ZVNLXKCLHIAVSY-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415029673 386516988 /nfs/dbraw/zinc/51/69/88/386516988.db2.gz BEFANODYHLVSIB-AWEZNQCLSA-N 2 2 248.370 2.234 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@H](CC3CC3)C2)c[nH+]1 ZINC000339682009 386518779 /nfs/dbraw/zinc/51/87/79/386518779.db2.gz WXPGNINKUWXHTA-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@H](CC3CC3)C2)c[nH+]1 ZINC000339682009 386518787 /nfs/dbraw/zinc/51/87/87/386518787.db2.gz WXPGNINKUWXHTA-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)[C@H]1C ZINC000336755463 386530473 /nfs/dbraw/zinc/53/04/73/386530473.db2.gz IWRCIFQTIIKHQK-MLGHIDQZSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC000336755463 386530477 /nfs/dbraw/zinc/53/04/77/386530477.db2.gz IWRCIFQTIIKHQK-MLGHIDQZSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1OCC[C@H]1[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797084 386578252 /nfs/dbraw/zinc/57/82/52/386578252.db2.gz ARKPLAXWZCUVTN-GXTWGEPZSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@@H](CNc1cc[nH+]c2ccncc12)C[NH+](C)C ZINC000291921785 386598453 /nfs/dbraw/zinc/59/84/53/386598453.db2.gz RNRKAGGTQIONGG-NSHDSACASA-N 2 2 244.342 2.239 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000453405124 386592954 /nfs/dbraw/zinc/59/29/54/386592954.db2.gz JFSQBOUCTQWHAP-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000453405124 386592960 /nfs/dbraw/zinc/59/29/60/386592960.db2.gz JFSQBOUCTQWHAP-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000414787425 386535567 /nfs/dbraw/zinc/53/55/67/386535567.db2.gz CKSDEWSATBLJFN-GFCCVEGCSA-N 2 2 226.751 2.413 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@H+](C)C1CC1 ZINC000519700711 386536056 /nfs/dbraw/zinc/53/60/56/386536056.db2.gz BADIOWDJACEDBU-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[N@@H+](C)C1CC1 ZINC000519700711 386536062 /nfs/dbraw/zinc/53/60/62/386536062.db2.gz BADIOWDJACEDBU-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1F ZINC000415057164 386539099 /nfs/dbraw/zinc/53/90/99/386539099.db2.gz RDGVLOIAJJKKQA-GFCCVEGCSA-N 2 2 224.323 2.289 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@H]1C[C@@H]1C ZINC000415063195 386544116 /nfs/dbraw/zinc/54/41/16/386544116.db2.gz HBMWZWFSGLPMCL-NJZAAPMLSA-N 2 2 232.371 2.494 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415063602 386544906 /nfs/dbraw/zinc/54/49/06/386544906.db2.gz AORWUULDYIZINT-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CC1CC1 ZINC000415066173 386548085 /nfs/dbraw/zinc/54/80/85/386548085.db2.gz OBFWPZMSGRKFLL-CQSZACIVSA-N 2 2 218.344 2.248 20 0 BEADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CC1CC1 ZINC000415066172 386549292 /nfs/dbraw/zinc/54/92/92/386549292.db2.gz OBFWPZMSGRKFLL-AWEZNQCLSA-N 2 2 218.344 2.248 20 0 BEADLP CC(C)C1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000054556397 386557520 /nfs/dbraw/zinc/55/75/20/386557520.db2.gz XOLZPLLUGQOKJW-RUXDESIVSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000054556397 386557528 /nfs/dbraw/zinc/55/75/28/386557528.db2.gz XOLZPLLUGQOKJW-RUXDESIVSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000123574139 386559039 /nfs/dbraw/zinc/55/90/39/386559039.db2.gz NEDUMIJPAAIDEU-NSHDSACASA-N 2 2 230.311 2.274 20 0 BEADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000123574139 386559044 /nfs/dbraw/zinc/55/90/44/386559044.db2.gz NEDUMIJPAAIDEU-NSHDSACASA-N 2 2 230.311 2.274 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)CF)c[nH+]1 ZINC000336756440 386565640 /nfs/dbraw/zinc/56/56/40/386565640.db2.gz JKOFQNTWFDWMEA-LLVKDONJSA-N 2 2 210.296 2.270 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414796126 386566732 /nfs/dbraw/zinc/56/67/32/386566732.db2.gz NOERIBVFIDRRNV-LBPRGKRZSA-N 2 2 228.286 2.038 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335496943 386621474 /nfs/dbraw/zinc/62/14/74/386621474.db2.gz VETMNAXIOPHSTG-TZMCWYRMSA-N 2 2 233.359 2.183 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000335498113 386623201 /nfs/dbraw/zinc/62/32/01/386623201.db2.gz CUOGKUJYZAJZFB-ONGXEEELSA-N 2 2 236.384 2.249 20 0 BEADLP CC(C)c1cnc(C[NH2+]CC(C)(C)[NH3+])s1 ZINC000414809202 386628669 /nfs/dbraw/zinc/62/86/69/386628669.db2.gz UXIJVTFRYRCTNC-UHFFFAOYSA-N 2 2 227.377 2.093 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1sccc1OC ZINC000414813088 386643425 /nfs/dbraw/zinc/64/34/25/386643425.db2.gz LVBYOLYVWPVDFC-SNVBAGLBSA-N 2 2 242.388 2.364 20 0 BEADLP CC(C)COc1cccc(C[NH2+][C@H](C)C[NH3+])c1 ZINC000414925593 386646492 /nfs/dbraw/zinc/64/64/92/386646492.db2.gz IHGZJKRGFMRHBV-GFCCVEGCSA-N 2 2 236.359 2.158 20 0 BEADLP Cc1nc(C[NH2+]C[C@H]([NH3+])CC(C)C)sc1C ZINC000415086140 386604205 /nfs/dbraw/zinc/60/42/05/386604205.db2.gz UGEDTDBWEGAXKI-LLVKDONJSA-N 2 2 241.404 2.223 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414923558 386608290 /nfs/dbraw/zinc/60/82/90/386608290.db2.gz HPZYTXXGSMWVFV-RISCZKNCSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)nc1 ZINC000414923456 386608324 /nfs/dbraw/zinc/60/83/24/386608324.db2.gz FGLYRWIHHRDRGG-AWEZNQCLSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2ccncc12 ZINC000268019346 386609306 /nfs/dbraw/zinc/60/93/06/386609306.db2.gz YHVNGGZWPGZQJM-NSHDSACASA-N 2 2 244.342 2.382 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820355 386663639 /nfs/dbraw/zinc/66/36/39/386663639.db2.gz AOBWHEWOOOUENN-PXYYCUNGSA-N 2 2 216.328 2.041 20 0 BEADLP Cc1occc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336419666 386664274 /nfs/dbraw/zinc/66/42/74/386664274.db2.gz IVFRWMDSHGHLNQ-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000336419666 386664275 /nfs/dbraw/zinc/66/42/75/386664275.db2.gz IVFRWMDSHGHLNQ-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000336419666 386664281 /nfs/dbraw/zinc/66/42/81/386664281.db2.gz IVFRWMDSHGHLNQ-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000336419666 386664284 /nfs/dbraw/zinc/66/42/84/386664284.db2.gz IVFRWMDSHGHLNQ-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP CC[NH2+]CC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414821021 386675003 /nfs/dbraw/zinc/67/50/03/386675003.db2.gz DOLCYPSXZBJRSF-ARJAWSKDSA-N 2 2 240.297 2.177 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000335468204 386683896 /nfs/dbraw/zinc/68/38/96/386683896.db2.gz MMLGVIIMUBAOBN-MWLCHTKSSA-N 2 2 222.332 2.230 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccnc1 ZINC000268707003 386684450 /nfs/dbraw/zinc/68/44/50/386684450.db2.gz FAEPTFUOUJQLGW-XUJVJEKNSA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccnc1 ZINC000268707003 386684457 /nfs/dbraw/zinc/68/44/57/386684457.db2.gz FAEPTFUOUJQLGW-XUJVJEKNSA-N 2 2 245.370 2.215 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000414824924 386687068 /nfs/dbraw/zinc/68/70/68/386687068.db2.gz RSOWPTGSFLSOHP-UHFFFAOYSA-N 2 2 236.359 2.030 20 0 BEADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000414828003 386699159 /nfs/dbraw/zinc/69/91/59/386699159.db2.gz IEKOMMHSQAJJHF-OLZOCXBDSA-N 2 2 236.384 2.172 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000043325960 386702085 /nfs/dbraw/zinc/70/20/85/386702085.db2.gz PXKLFHJFJWNKAF-GXSJLCMTSA-N 2 2 240.297 2.367 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000043324953 386702120 /nfs/dbraw/zinc/70/21/20/386702120.db2.gz WXGBUUFJXVQAJR-GXFFZTMASA-N 2 2 222.307 2.228 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000414828924 386702853 /nfs/dbraw/zinc/70/28/53/386702853.db2.gz LNESKBHKVWSPCY-UHFFFAOYSA-N 2 2 249.745 2.197 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324725 386703181 /nfs/dbraw/zinc/70/31/81/386703181.db2.gz LHCDDWXDTFCOKJ-GXTWGEPZSA-N 2 2 216.328 2.016 20 0 BEADLP c1cn(CC[NH2+][C@H](C2CC2)C2CCC2)c[nH+]1 ZINC000324983427 386704694 /nfs/dbraw/zinc/70/46/94/386704694.db2.gz SCBPWBBKOYCPKW-ZDUSSCGKSA-N 2 2 219.332 2.051 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000043327139 386707262 /nfs/dbraw/zinc/70/72/62/386707262.db2.gz IPVBKCBQTMOUBP-WDEREUQCSA-N 2 2 222.307 2.228 20 0 BEADLP FC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000526970611 386713343 /nfs/dbraw/zinc/71/33/43/386713343.db2.gz QVXPQRDXEYHIJS-ZDUSSCGKSA-N 2 2 240.366 2.296 20 0 BEADLP FC1(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000526970611 386713348 /nfs/dbraw/zinc/71/33/48/386713348.db2.gz QVXPQRDXEYHIJS-ZDUSSCGKSA-N 2 2 240.366 2.296 20 0 BEADLP COc1ccsc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414833495 386714939 /nfs/dbraw/zinc/71/49/39/386714939.db2.gz FVHCERSJDKYSBX-JTQLQIEISA-N 2 2 242.388 2.220 20 0 BEADLP FC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000526970350 386715142 /nfs/dbraw/zinc/71/51/42/386715142.db2.gz APILBQHDSHUXMG-UHFFFAOYSA-N 2 2 223.295 2.091 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000335542288 386725087 /nfs/dbraw/zinc/72/50/87/386725087.db2.gz HCORPAIPOZEIFN-WDEREUQCSA-N 2 2 239.388 2.201 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000335542285 386725208 /nfs/dbraw/zinc/72/52/08/386725208.db2.gz HCORPAIPOZEIFN-GHMZBOCLSA-N 2 2 239.388 2.201 20 0 BEADLP CC(C)c1ncc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000414842030 386747539 /nfs/dbraw/zinc/74/75/39/386747539.db2.gz IJYCKFTZRRNCSH-SNVBAGLBSA-N 2 2 239.388 2.108 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000336760975 386747808 /nfs/dbraw/zinc/74/78/08/386747808.db2.gz MFGQWJDRGBHRHF-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000336760975 386747813 /nfs/dbraw/zinc/74/78/13/386747813.db2.gz MFGQWJDRGBHRHF-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP [NH3+][C@H](C[NH2+]C1CCSCC1)c1ccccc1 ZINC000414842961 386757308 /nfs/dbraw/zinc/75/73/08/386757308.db2.gz ZVTNOQIOQGSJDQ-CYBMUJFWSA-N 2 2 236.384 2.172 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000394957604 386758594 /nfs/dbraw/zinc/75/85/94/386758594.db2.gz BYPXECMSKFILMK-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000394957604 386758601 /nfs/dbraw/zinc/75/86/01/386758601.db2.gz BYPXECMSKFILMK-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCC[C@@H]3CCO3)C2)[nH]1 ZINC000637953461 386760644 /nfs/dbraw/zinc/76/06/44/386760644.db2.gz QJZMFQLYFKRAHV-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CCC[C@@H]3CCO3)C2)[nH]1 ZINC000637953461 386760646 /nfs/dbraw/zinc/76/06/46/386760646.db2.gz QJZMFQLYFKRAHV-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414839031 386741983 /nfs/dbraw/zinc/74/19/83/386741983.db2.gz ZVTNCJXEGIYPFG-UHFFFAOYSA-N 2 2 241.338 2.058 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccon1 ZINC000349204814 386791194 /nfs/dbraw/zinc/79/11/94/386791194.db2.gz VIRKRWRILIKOPB-NWDGAFQWSA-N 2 2 237.347 2.200 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccon1 ZINC000349204814 386791198 /nfs/dbraw/zinc/79/11/98/386791198.db2.gz VIRKRWRILIKOPB-NWDGAFQWSA-N 2 2 237.347 2.200 20 0 BEADLP COc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)ccc1C ZINC000414934179 386794693 /nfs/dbraw/zinc/79/46/93/386794693.db2.gz BEHGOJZSUZDWRM-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@H]2CC=CCC2)CCC1 ZINC000165148586 386796126 /nfs/dbraw/zinc/79/61/26/386796126.db2.gz YBTJLEIRBAGYPZ-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414932107 386774960 /nfs/dbraw/zinc/77/49/60/386774960.db2.gz QSPFPGZUKLWIQF-IZIWTHDTSA-N 2 2 248.345 2.427 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC=CCC2)CCC1 ZINC000165148688 386797385 /nfs/dbraw/zinc/79/73/85/386797385.db2.gz YBTJLEIRBAGYPZ-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP Fc1ccc2oc(C[NH2+]C[C@H]3CCC[NH2+]3)cc2c1 ZINC000414845473 386798796 /nfs/dbraw/zinc/79/87/96/386798796.db2.gz LZMBTKZBSGODBH-GFCCVEGCSA-N 2 2 248.301 2.414 20 0 BEADLP CC(C)[N@@H+](C)C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000357577524 386808472 /nfs/dbraw/zinc/80/84/72/386808472.db2.gz DWISUFAWXSTGEF-JTQLQIEISA-N 2 2 247.346 2.099 20 0 BEADLP CC(C)[N@H+](C)C[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000357577524 386808479 /nfs/dbraw/zinc/80/84/79/386808479.db2.gz DWISUFAWXSTGEF-JTQLQIEISA-N 2 2 247.346 2.099 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000647939166 386809401 /nfs/dbraw/zinc/80/94/01/386809401.db2.gz DFKCWRQYMCXTLT-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1ccc(CC[N@H+]2CCn3c[nH+]cc3C2)cc1 ZINC000647939166 386809404 /nfs/dbraw/zinc/80/94/04/386809404.db2.gz DFKCWRQYMCXTLT-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000051632002 386834308 /nfs/dbraw/zinc/83/43/08/386834308.db2.gz BCDMVGZNVYTDHT-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000051632002 386834316 /nfs/dbraw/zinc/83/43/16/386834316.db2.gz BCDMVGZNVYTDHT-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000051632000 386835352 /nfs/dbraw/zinc/83/53/52/386835352.db2.gz BCDMVGZNVYTDHT-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000051632000 386835359 /nfs/dbraw/zinc/83/53/59/386835359.db2.gz BCDMVGZNVYTDHT-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP CCCC[N@H+](C)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000341111335 386841031 /nfs/dbraw/zinc/84/10/31/386841031.db2.gz FDDZQFJWZMUNNT-LBPRGKRZSA-N 2 2 236.363 2.317 20 0 BEADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000341111335 386841040 /nfs/dbraw/zinc/84/10/40/386841040.db2.gz FDDZQFJWZMUNNT-LBPRGKRZSA-N 2 2 236.363 2.317 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425343415 386856073 /nfs/dbraw/zinc/85/60/73/386856073.db2.gz IFXNJAQUKNRXJE-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425343415 386856076 /nfs/dbraw/zinc/85/60/76/386856076.db2.gz IFXNJAQUKNRXJE-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)cc1C ZINC000414937879 386857446 /nfs/dbraw/zinc/85/74/46/386857446.db2.gz CQUJVGNWUNPBCX-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP C[N@H+](CCF)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000293702280 386863087 /nfs/dbraw/zinc/86/30/87/386863087.db2.gz RSZJWSUKKQMNOU-UHFFFAOYSA-N 2 2 233.290 2.274 20 0 BEADLP C[N@@H+](CCF)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000293702280 386863094 /nfs/dbraw/zinc/86/30/94/386863094.db2.gz RSZJWSUKKQMNOU-UHFFFAOYSA-N 2 2 233.290 2.274 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336739252 386876238 /nfs/dbraw/zinc/87/62/38/386876238.db2.gz LBYQOQDAGHBFHO-VXGBXAGGSA-N 2 2 221.348 2.440 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000336744710 386876534 /nfs/dbraw/zinc/87/65/34/386876534.db2.gz ZVPBVWHRJHWXRE-GFCCVEGCSA-N 2 2 230.421 2.061 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1CCSC1 ZINC000336744710 386876540 /nfs/dbraw/zinc/87/65/40/386876540.db2.gz ZVPBVWHRJHWXRE-GFCCVEGCSA-N 2 2 230.421 2.061 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835405 386876982 /nfs/dbraw/zinc/87/69/82/386876982.db2.gz HXLLJLDLYVMNDL-DGCLKSJQSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835405 386876988 /nfs/dbraw/zinc/87/69/88/386876988.db2.gz HXLLJLDLYVMNDL-DGCLKSJQSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336744938 386883161 /nfs/dbraw/zinc/88/31/61/386883161.db2.gz AUQBULVFYCILTF-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336744938 386883162 /nfs/dbraw/zinc/88/31/62/386883162.db2.gz AUQBULVFYCILTF-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334843011 386888641 /nfs/dbraw/zinc/88/86/41/386888641.db2.gz QUDGRGUUACROPD-PHIMTYICSA-N 2 2 215.300 2.317 20 0 BEADLP C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334843011 386888644 /nfs/dbraw/zinc/88/86/44/386888644.db2.gz QUDGRGUUACROPD-PHIMTYICSA-N 2 2 215.300 2.317 20 0 BEADLP c1cc2c(cc1N[C@@H]1CCC[NH2+]C1)CCC[NH2+]2 ZINC000334861043 386913996 /nfs/dbraw/zinc/91/39/96/386913996.db2.gz AQUACOVMXDHUPS-CYBMUJFWSA-N 2 2 231.343 2.209 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)ccc1C ZINC000358228678 386915266 /nfs/dbraw/zinc/91/52/66/386915266.db2.gz VLCJSJNWHNLRGT-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)ccc1C ZINC000358228678 386915267 /nfs/dbraw/zinc/91/52/67/386915267.db2.gz VLCJSJNWHNLRGT-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000334861782 386915650 /nfs/dbraw/zinc/91/56/50/386915650.db2.gz DKTHRCLJOUVHAE-JOYOIKCWSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334861768 386916151 /nfs/dbraw/zinc/91/61/51/386916151.db2.gz GYMASLXZKMRNPQ-ZANVPECISA-N 2 2 240.297 2.052 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1C ZINC000334850132 386898553 /nfs/dbraw/zinc/89/85/53/386898553.db2.gz SJGGNUADTJJUPV-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000334852917 386902389 /nfs/dbraw/zinc/90/23/89/386902389.db2.gz CDXCZZREUKOSAS-RNCFNFMXSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1occc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000334855597 386906992 /nfs/dbraw/zinc/90/69/92/386906992.db2.gz JFFVQWGYMQOLOU-UHFFFAOYSA-N 2 2 222.332 2.114 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000334857884 386911135 /nfs/dbraw/zinc/91/11/35/386911135.db2.gz PYGOEGVNHABSRC-BXKDBHETSA-N 2 2 240.297 2.052 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000334864490 386919935 /nfs/dbraw/zinc/91/99/35/386919935.db2.gz GCJYLCXWBALUQP-SMDDNHRTSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000334864336 386920467 /nfs/dbraw/zinc/92/04/67/386920467.db2.gz ONFROFNCAGUNGU-OCCSQVGLSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358390337 386947382 /nfs/dbraw/zinc/94/73/82/386947382.db2.gz BXJZLSAGVJSFHN-YRGRVCCFSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358390337 386947385 /nfs/dbraw/zinc/94/73/85/386947385.db2.gz BXJZLSAGVJSFHN-YRGRVCCFSA-N 2 2 236.359 2.140 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000334869897 386931015 /nfs/dbraw/zinc/93/10/15/386931015.db2.gz QEWPIKMJBOZOSH-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000334869897 386931019 /nfs/dbraw/zinc/93/10/19/386931019.db2.gz QEWPIKMJBOZOSH-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000334869898 386931260 /nfs/dbraw/zinc/93/12/60/386931260.db2.gz QEWPIKMJBOZOSH-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000334869898 386931266 /nfs/dbraw/zinc/93/12/66/386931266.db2.gz QEWPIKMJBOZOSH-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000334874462 386934281 /nfs/dbraw/zinc/93/42/81/386934281.db2.gz NFPXPTWRELKKOZ-GFCCVEGCSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)s1 ZINC000334873960 386935449 /nfs/dbraw/zinc/93/54/49/386935449.db2.gz LTKIETDRWKROEA-LLVKDONJSA-N 2 2 224.373 2.287 20 0 BEADLP CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341662727 386939949 /nfs/dbraw/zinc/93/99/49/386939949.db2.gz VJIHINDCYMKKAX-DGCLKSJQSA-N 2 2 220.316 2.333 20 0 BEADLP CC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341662727 386939954 /nfs/dbraw/zinc/93/99/54/386939954.db2.gz VJIHINDCYMKKAX-DGCLKSJQSA-N 2 2 220.316 2.333 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000425351652 386961392 /nfs/dbraw/zinc/96/13/92/386961392.db2.gz MECHPFIEYDXOKN-QWHCGFSZSA-N 2 2 236.384 2.416 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)nc1C ZINC000314760263 386999130 /nfs/dbraw/zinc/99/91/30/386999130.db2.gz KASJLUQPKGJINY-SWLSCSKDSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)nc1C ZINC000314760263 386999138 /nfs/dbraw/zinc/99/91/38/386999138.db2.gz KASJLUQPKGJINY-SWLSCSKDSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(F)c1 ZINC000205040604 387000076 /nfs/dbraw/zinc/00/00/76/387000076.db2.gz RKAQKZHPTIQYAS-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425384304 387033136 /nfs/dbraw/zinc/03/31/36/387033136.db2.gz QCNQPDHJEUQXAH-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425384304 387033141 /nfs/dbraw/zinc/03/31/41/387033141.db2.gz QCNQPDHJEUQXAH-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945172 387017360 /nfs/dbraw/zinc/01/73/60/387017360.db2.gz NMTVSYAANJZJCM-JSGCOSHPSA-N 2 2 230.355 2.215 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945172 387017364 /nfs/dbraw/zinc/01/73/64/387017364.db2.gz NMTVSYAANJZJCM-JSGCOSHPSA-N 2 2 230.355 2.215 20 0 BEADLP C/C(Cl)=C/C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528389626 387025684 /nfs/dbraw/zinc/02/56/84/387025684.db2.gz UIFDKDRHYFXHED-DSDFTUOUSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C/C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528389626 387025686 /nfs/dbraw/zinc/02/56/86/387025686.db2.gz UIFDKDRHYFXHED-DSDFTUOUSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C/C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000528389626 387025690 /nfs/dbraw/zinc/02/56/90/387025690.db2.gz UIFDKDRHYFXHED-DSDFTUOUSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C/C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000528389626 387025693 /nfs/dbraw/zinc/02/56/93/387025693.db2.gz UIFDKDRHYFXHED-DSDFTUOUSA-N 2 2 230.783 2.403 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000228128456 387079732 /nfs/dbraw/zinc/07/97/32/387079732.db2.gz PEYXXZNCRIEZQI-VHDGCEQUSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[NH+](C)C ZINC000336765777 387082395 /nfs/dbraw/zinc/08/23/95/387082395.db2.gz RNDDOMVCQBMQLG-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(C)n1 ZINC000334997194 387088223 /nfs/dbraw/zinc/08/82/23/387088223.db2.gz AXWVLTJPNLTPPX-SWLSCSKDSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c(C)n1 ZINC000334997194 387088226 /nfs/dbraw/zinc/08/82/26/387088226.db2.gz AXWVLTJPNLTPPX-SWLSCSKDSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(C)n1 ZINC000334997238 387089045 /nfs/dbraw/zinc/08/90/45/387089045.db2.gz CALHTEXLSVUHGD-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(C)n1 ZINC000334997238 387089051 /nfs/dbraw/zinc/08/90/51/387089051.db2.gz CALHTEXLSVUHGD-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1C ZINC000335025446 387116392 /nfs/dbraw/zinc/11/63/92/387116392.db2.gz SJGCIIPPOQWEQS-QWHCGFSZSA-N 2 2 218.344 2.316 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000423307995 387143920 /nfs/dbraw/zinc/14/39/20/387143920.db2.gz ILZKSXHBONLELH-CQSZACIVSA-N 2 2 236.334 2.402 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423310849 387149069 /nfs/dbraw/zinc/14/90/69/387149069.db2.gz OPPBLNGFVNZRJD-NSHDSACASA-N 2 2 222.332 2.042 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423313515 387152467 /nfs/dbraw/zinc/15/24/67/387152467.db2.gz UONZLHWSBWLAOU-AWEZNQCLSA-N 2 2 236.334 2.402 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCC1 ZINC000322445158 259706793 /nfs/dbraw/zinc/70/67/93/259706793.db2.gz GMUKPBCFJMKXSQ-YPMHNXCESA-N 2 2 212.381 2.495 20 0 BEADLP C1CCC([N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000120097673 387160154 /nfs/dbraw/zinc/16/01/54/387160154.db2.gz OETFZQWMEHDBGC-CQSZACIVSA-N 2 2 222.376 2.489 20 0 BEADLP C1CCC([N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000120097673 387160156 /nfs/dbraw/zinc/16/01/56/387160156.db2.gz OETFZQWMEHDBGC-CQSZACIVSA-N 2 2 222.376 2.489 20 0 BEADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[NH2+]CCOC ZINC000423319807 387163060 /nfs/dbraw/zinc/16/30/60/387163060.db2.gz DBVUTZZHXMZGAK-MGPQQGTHSA-N 2 2 242.407 2.027 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000353245860 387163657 /nfs/dbraw/zinc/16/36/57/387163657.db2.gz YGXDWBJSJUUQFS-JTQLQIEISA-N 2 2 245.326 2.212 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000353245860 387163662 /nfs/dbraw/zinc/16/36/62/387163662.db2.gz YGXDWBJSJUUQFS-JTQLQIEISA-N 2 2 245.326 2.212 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000229265322 387164908 /nfs/dbraw/zinc/16/49/08/387164908.db2.gz IJCGIPFSZWGPGO-NEPJUHHUSA-N 2 2 222.332 2.018 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000229265322 387164912 /nfs/dbraw/zinc/16/49/12/387164912.db2.gz IJCGIPFSZWGPGO-NEPJUHHUSA-N 2 2 222.332 2.018 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)o1 ZINC000423329943 387172057 /nfs/dbraw/zinc/17/20/57/387172057.db2.gz PACBGFRLVWUBAP-JTQLQIEISA-N 2 2 222.332 2.374 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423332669 387177668 /nfs/dbraw/zinc/17/76/68/387177668.db2.gz QYBYVSVIKJVSDN-ZJUUUORDSA-N 2 2 224.373 2.406 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423331997 387177787 /nfs/dbraw/zinc/17/77/87/387177787.db2.gz QREGDJYKCRBXFO-HTQZYQBOSA-N 2 2 230.714 2.477 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423340174 387187142 /nfs/dbraw/zinc/18/71/42/387187142.db2.gz XEXDYGMXZWEACC-PELKAZGASA-N 2 2 228.286 2.353 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CO)C2)c[nH+]1 ZINC000353361466 387188147 /nfs/dbraw/zinc/18/81/47/387188147.db2.gz AMSAHYHKNVHURA-OAHLLOKOSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CO)C2)c[nH+]1 ZINC000353361466 387188154 /nfs/dbraw/zinc/18/81/54/387188154.db2.gz AMSAHYHKNVHURA-OAHLLOKOSA-N 2 2 248.370 2.027 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1sccc1OC ZINC000423305165 387139787 /nfs/dbraw/zinc/13/97/87/387139787.db2.gz BEODCOJYVGIDCN-SNVBAGLBSA-N 2 2 242.388 2.407 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccncc1F ZINC000423304328 387140077 /nfs/dbraw/zinc/14/00/77/387140077.db2.gz YJLCKZVDLRTAKR-MNOVXSKESA-N 2 2 239.338 2.389 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423354956 387206137 /nfs/dbraw/zinc/20/61/37/387206137.db2.gz DIPIKEGEBZQSHC-HUBLWGQQSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000423357536 387208817 /nfs/dbraw/zinc/20/88/17/387208817.db2.gz IGVXTHXUIBBOAX-WKPIXPDZSA-N 2 2 248.345 2.401 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1F ZINC000423359637 387209280 /nfs/dbraw/zinc/20/92/80/387209280.db2.gz DPVSBZSUEQFOAB-CABZTGNLSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000423363483 387215841 /nfs/dbraw/zinc/21/58/41/387215841.db2.gz JDKRCSOMMPYVHY-NKWVEPMBSA-N 2 2 232.249 2.102 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000353523973 387219632 /nfs/dbraw/zinc/21/96/32/387219632.db2.gz VFZYTAPMCDJNOV-OLZOCXBDSA-N 2 2 235.375 2.381 20 0 BEADLP C[C@@H]1CCCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000187961378 387222544 /nfs/dbraw/zinc/22/25/44/387222544.db2.gz VGZKJEKVBCHGKT-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1CCCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000187961378 387222550 /nfs/dbraw/zinc/22/25/50/387222550.db2.gz VGZKJEKVBCHGKT-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000423370593 387223960 /nfs/dbraw/zinc/22/39/60/387223960.db2.gz UJWMYNPOEBJCOL-WXHSDQCUSA-N 2 2 234.343 2.245 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423326819 387233154 /nfs/dbraw/zinc/23/31/54/387233154.db2.gz REEUPACXSJLFIA-FZMZJTMJSA-N 2 2 248.370 2.473 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]1C1CC1)C2 ZINC000353652835 387250033 /nfs/dbraw/zinc/25/00/33/387250033.db2.gz XUGWSOUWNUTZOJ-AGIUHOORSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1C1CC1)CC2 ZINC000353652835 387250036 /nfs/dbraw/zinc/25/00/36/387250036.db2.gz XUGWSOUWNUTZOJ-AGIUHOORSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1C1CC1)C2 ZINC000353652836 387250525 /nfs/dbraw/zinc/25/05/25/387250525.db2.gz XUGWSOUWNUTZOJ-FRRDWIJNSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1C1CC1)CC2 ZINC000353652836 387250530 /nfs/dbraw/zinc/25/05/30/387250530.db2.gz XUGWSOUWNUTZOJ-FRRDWIJNSA-N 2 2 245.370 2.435 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC(C)(C)O)c[nH+]1 ZINC000353654948 387251368 /nfs/dbraw/zinc/25/13/68/387251368.db2.gz WNUPORUKPGUELJ-UHFFFAOYSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC(C)(C)O)c[nH+]1 ZINC000353654948 387251370 /nfs/dbraw/zinc/25/13/70/387251370.db2.gz WNUPORUKPGUELJ-UHFFFAOYSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC[C@](C)(O)C2)c[nH+]1 ZINC000353657606 387251587 /nfs/dbraw/zinc/25/15/87/387251587.db2.gz HCXIXFODAUWKMA-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC[C@](C)(O)C2)c[nH+]1 ZINC000353657606 387251591 /nfs/dbraw/zinc/25/15/91/387251591.db2.gz HCXIXFODAUWKMA-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC2(C)C)C[N@@H+]1C1CC1 ZINC000300360511 387200138 /nfs/dbraw/zinc/20/01/38/387200138.db2.gz ZPPJEAQLTUJHEU-UTUOFQBUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC2(C)C)C[N@H+]1C1CC1 ZINC000300360511 387200143 /nfs/dbraw/zinc/20/01/43/387200143.db2.gz ZPPJEAQLTUJHEU-UTUOFQBUSA-N 2 2 222.376 2.247 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CC=CCC2)n1C ZINC000514952740 387314598 /nfs/dbraw/zinc/31/45/98/387314598.db2.gz ZSYYOTDYNSAOOL-ZDUSSCGKSA-N 2 2 219.332 2.317 20 0 BEADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cnn1C(C)C ZINC000423466849 387315527 /nfs/dbraw/zinc/31/55/27/387315527.db2.gz NRGXVEIYVXDBAH-MXWKQRLJSA-N 2 2 238.379 2.159 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423375268 387256490 /nfs/dbraw/zinc/25/64/90/387256490.db2.gz XTTORSWNKQVHNY-OBJOEFQTSA-N 2 2 233.359 2.039 20 0 BEADLP C[NH2+][C@H](C)C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423376463 387257828 /nfs/dbraw/zinc/25/78/28/387257828.db2.gz ATDBBIQQZZBDNT-RBZYPMLTSA-N 2 2 236.334 2.257 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccsc1 ZINC000423385427 387268122 /nfs/dbraw/zinc/26/81/22/387268122.db2.gz QZWIKJRGAIUYNA-NXEZZACHSA-N 2 2 212.362 2.397 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cs1 ZINC000423388946 387272967 /nfs/dbraw/zinc/27/29/67/387272967.db2.gz UOZCXCHRYLAFBX-QXEWZRGKSA-N 2 2 239.388 2.243 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000423388753 387274132 /nfs/dbraw/zinc/27/41/32/387274132.db2.gz ISWURMCLECZZHJ-IMTBSYHQSA-N 2 2 244.260 2.028 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000231632323 387277521 /nfs/dbraw/zinc/27/75/21/387277521.db2.gz XASJXOJFDAQIHI-UPJWGTAASA-N 2 2 220.360 2.310 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000231632323 387277524 /nfs/dbraw/zinc/27/75/24/387277524.db2.gz XASJXOJFDAQIHI-UPJWGTAASA-N 2 2 220.360 2.310 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC000423393051 387278462 /nfs/dbraw/zinc/27/84/62/387278462.db2.gz YCYKQUJHRGSCSG-RISCZKNCSA-N 2 2 218.344 2.262 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH2+]C)c1ccccc1OC ZINC000423394163 387281281 /nfs/dbraw/zinc/28/12/81/387281281.db2.gz PXWORPKKFCMBCU-YPMHNXCESA-N 2 2 236.359 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]2C)n1C ZINC000514734383 387281411 /nfs/dbraw/zinc/28/14/11/387281411.db2.gz DDTBSHMXYBFYAL-PWSUYJOCSA-N 2 2 221.348 2.254 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)[C@H](C)[NH3+] ZINC000423439211 387288697 /nfs/dbraw/zinc/28/86/97/387288697.db2.gz HRQRRMPOWXBEPT-JOAULVNJSA-N 2 2 240.297 2.277 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423439213 387288965 /nfs/dbraw/zinc/28/89/65/387288965.db2.gz HRQRRMPOWXBEPT-UBJUHAIHSA-N 2 2 240.297 2.277 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])o1 ZINC000423440311 387290849 /nfs/dbraw/zinc/29/08/49/387290849.db2.gz IMRLTDQGNXKVEE-BBBLOLIVSA-N 2 2 210.321 2.228 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])CC)s1 ZINC000423441823 387293441 /nfs/dbraw/zinc/29/34/41/387293441.db2.gz BFMBVCJZJSLSOU-PSASIEDQSA-N 2 2 241.404 2.402 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000162041960 387297243 /nfs/dbraw/zinc/29/72/43/387297243.db2.gz IHVJUMOYRROTFV-QMMMGPOBSA-N 2 2 232.249 2.142 20 0 BEADLP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccn1 ZINC000423453409 387300946 /nfs/dbraw/zinc/30/09/46/387300946.db2.gz XKVYDMFITYCBBK-DYEKYZERSA-N 2 2 235.375 2.494 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C)oc1C ZINC000423456121 387303578 /nfs/dbraw/zinc/30/35/78/387303578.db2.gz DFCRTGHBDWSUPG-MWLCHTKSSA-N 2 2 210.321 2.284 20 0 BEADLP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000643499891 387303534 /nfs/dbraw/zinc/30/35/34/387303534.db2.gz ZPDJTNMAQQUDLX-LSDHHAIUSA-N 2 2 230.355 2.479 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336477874 387304331 /nfs/dbraw/zinc/30/43/31/387304331.db2.gz JEADTBKWIYNJAO-NSHDSACASA-N 2 2 247.367 2.358 20 0 BEADLP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000643499836 387304394 /nfs/dbraw/zinc/30/43/94/387304394.db2.gz RTTLAVODYPBBHH-SMDDNHRTSA-N 2 2 246.354 2.024 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1sccc1OC ZINC000423458749 387306153 /nfs/dbraw/zinc/30/61/53/387306153.db2.gz HEWYGTYLOFOKJG-IUCAKERBSA-N 2 2 228.361 2.145 20 0 BEADLP CC1(C)C[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354290996 387355263 /nfs/dbraw/zinc/35/52/63/387355263.db2.gz ZCSWKJHVUKRGKK-NSHDSACASA-N 2 2 229.327 2.470 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCCOC2)c[nH+]1 ZINC000354329699 387362148 /nfs/dbraw/zinc/36/21/48/387362148.db2.gz LTPOLFDEJNUJNT-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000643502885 387364668 /nfs/dbraw/zinc/36/46/68/387364668.db2.gz UNKNZLMZHSFGDQ-TZMCWYRMSA-N 2 2 233.359 2.183 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643502932 387365740 /nfs/dbraw/zinc/36/57/40/387365740.db2.gz VHNGARGWIWAKRJ-ZIAGYGMSSA-N 2 2 233.359 2.264 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc(C)n1 ZINC000423543390 387368047 /nfs/dbraw/zinc/36/80/47/387368047.db2.gz HEXWVQCDFKCQGJ-ZFWWWQNUSA-N 2 2 247.386 2.319 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc(C)n1 ZINC000423543389 387368821 /nfs/dbraw/zinc/36/88/21/387368821.db2.gz HEXWVQCDFKCQGJ-UKRRQHHQSA-N 2 2 247.386 2.319 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C)c1 ZINC000423547543 387370961 /nfs/dbraw/zinc/37/09/61/387370961.db2.gz DLPIMSIHCQOLRP-HUUCEWRRSA-N 2 2 248.370 2.024 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH+](C)C ZINC000287098105 387371716 /nfs/dbraw/zinc/37/17/16/387371716.db2.gz PWHVWTURUPQWQW-RISCZKNCSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cn1 ZINC000423567133 387378319 /nfs/dbraw/zinc/37/83/19/387378319.db2.gz UURSLQUCLONUKS-SNVBAGLBSA-N 2 2 237.322 2.013 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccncc1 ZINC000423569280 387379728 /nfs/dbraw/zinc/37/97/28/387379728.db2.gz WBHRCEJNHDTQMJ-KGLIPLIRSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000336501073 387326832 /nfs/dbraw/zinc/32/68/32/387326832.db2.gz OJAOFZHUAVLAHZ-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000336501073 387326837 /nfs/dbraw/zinc/32/68/37/387326837.db2.gz OJAOFZHUAVLAHZ-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000423483176 387328362 /nfs/dbraw/zinc/32/83/62/387328362.db2.gz SDBFHBNAXBUFIB-DOMZBBRYSA-N 2 2 247.386 2.007 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000423483176 387328369 /nfs/dbraw/zinc/32/83/69/387328369.db2.gz SDBFHBNAXBUFIB-DOMZBBRYSA-N 2 2 247.386 2.007 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423484081 387329269 /nfs/dbraw/zinc/32/92/69/387329269.db2.gz YHSFJTZDGKLYFD-SCZZXKLOSA-N 2 2 227.739 2.123 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C ZINC000321972594 387339322 /nfs/dbraw/zinc/33/93/22/387339322.db2.gz BBVDICZXIZGCIY-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C ZINC000321972594 387339326 /nfs/dbraw/zinc/33/93/26/387339326.db2.gz BBVDICZXIZGCIY-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP COC[C@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354156730 387339433 /nfs/dbraw/zinc/33/94/33/387339433.db2.gz BNPNBEBEDATHJX-GFCCVEGCSA-N 2 2 236.359 2.195 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1C[C@@H]1C ZINC000321972592 387339988 /nfs/dbraw/zinc/33/99/88/387339988.db2.gz BBVDICZXIZGCIY-RVMXOQNASA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1C[C@@H]1C ZINC000321972592 387339990 /nfs/dbraw/zinc/33/99/90/387339990.db2.gz BBVDICZXIZGCIY-RVMXOQNASA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)[C@H]1C[C@H]1C ZINC000321997156 387345191 /nfs/dbraw/zinc/34/51/91/387345191.db2.gz FYZXLPTXSDYPEQ-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)[C@H]1C[C@H]1C ZINC000321997156 387345195 /nfs/dbraw/zinc/34/51/95/387345195.db2.gz FYZXLPTXSDYPEQ-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000643501224 387350919 /nfs/dbraw/zinc/35/09/19/387350919.db2.gz APLGUBXOIOXGSQ-OCCSQVGLSA-N 2 2 247.386 2.491 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C)cc1 ZINC000423520962 387353745 /nfs/dbraw/zinc/35/37/45/387353745.db2.gz KUDFTFGTCNKWDE-HUUCEWRRSA-N 2 2 248.370 2.024 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(OC)c1 ZINC000643506601 387461364 /nfs/dbraw/zinc/46/13/64/387461364.db2.gz CYBOKOUHFHPKRQ-OAHLLOKOSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccncc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000361411876 387456702 /nfs/dbraw/zinc/45/67/02/387456702.db2.gz CMSAPRLVSLKYCA-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccncc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000361411876 387456705 /nfs/dbraw/zinc/45/67/05/387456705.db2.gz CMSAPRLVSLKYCA-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccncc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000361411876 387456710 /nfs/dbraw/zinc/45/67/10/387456710.db2.gz CMSAPRLVSLKYCA-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccncc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000361411876 387456713 /nfs/dbraw/zinc/45/67/13/387456713.db2.gz CMSAPRLVSLKYCA-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP CCSCC[NH2+]CCc1cc[nH+]cc1C ZINC000273772086 387462391 /nfs/dbraw/zinc/46/23/91/387462391.db2.gz RFCCTANXTIOFKW-UHFFFAOYSA-N 2 2 224.373 2.275 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506359 387459706 /nfs/dbraw/zinc/45/97/06/387459706.db2.gz SUGZJZGCIGBETE-LBPRGKRZSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CO2 ZINC000643467368 387396854 /nfs/dbraw/zinc/39/68/54/387396854.db2.gz NQHAANNIKOHYSH-YUTCNCBUSA-N 2 2 246.354 2.159 20 0 BEADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000354588794 387400029 /nfs/dbraw/zinc/40/00/29/387400029.db2.gz XASVIBABXMCVQJ-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccncn1 ZINC000396060871 387532415 /nfs/dbraw/zinc/53/24/15/387532415.db2.gz XLTRFTUFOFAYPW-CYBMUJFWSA-N 2 2 248.374 2.003 20 0 BEADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC000122473197 387534800 /nfs/dbraw/zinc/53/48/00/387534800.db2.gz LCZXJPPCMQHCLU-STQMWFEESA-N 2 2 244.448 2.448 20 0 BEADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(F)CC2)C1 ZINC000527219399 387538056 /nfs/dbraw/zinc/53/80/56/387538056.db2.gz WUWBHSYVJPIPOJ-ZDUSSCGKSA-N 2 2 240.366 2.152 20 0 BEADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2(F)CC2)C1 ZINC000527219399 387538061 /nfs/dbraw/zinc/53/80/61/387538061.db2.gz WUWBHSYVJPIPOJ-ZDUSSCGKSA-N 2 2 240.366 2.152 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000527219399 387538066 /nfs/dbraw/zinc/53/80/66/387538066.db2.gz WUWBHSYVJPIPOJ-ZDUSSCGKSA-N 2 2 240.366 2.152 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000527219399 387538069 /nfs/dbraw/zinc/53/80/69/387538069.db2.gz WUWBHSYVJPIPOJ-ZDUSSCGKSA-N 2 2 240.366 2.152 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643505823 387463637 /nfs/dbraw/zinc/46/36/37/387463637.db2.gz AMTHWVVCKUVZHI-CQSZACIVSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506150 387465201 /nfs/dbraw/zinc/46/52/01/387465201.db2.gz MBBPWKUEHFZYLT-GFCCVEGCSA-N 2 2 218.344 2.398 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506026 387465271 /nfs/dbraw/zinc/46/52/71/387465271.db2.gz IBNNCURKQMJUQO-CQSZACIVSA-N 2 2 234.318 2.155 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506087 387465507 /nfs/dbraw/zinc/46/55/07/387465507.db2.gz KBGZJRVAJCYREF-GFCCVEGCSA-N 2 2 236.384 2.467 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC000361469968 387466498 /nfs/dbraw/zinc/46/64/98/387466498.db2.gz PSPYWBIUTBPGPY-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC000361469968 387466502 /nfs/dbraw/zinc/46/65/02/387466502.db2.gz PSPYWBIUTBPGPY-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000304379913 387471130 /nfs/dbraw/zinc/47/11/30/387471130.db2.gz WIGNVMVQWPHEDJ-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000304379913 387471132 /nfs/dbraw/zinc/47/11/32/387471132.db2.gz WIGNVMVQWPHEDJ-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1N(C)C ZINC000643507236 387476003 /nfs/dbraw/zinc/47/60/03/387476003.db2.gz WTDIWROLBADLIY-LBPRGKRZSA-N 2 2 247.386 2.155 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507111 387476088 /nfs/dbraw/zinc/47/60/88/387476088.db2.gz SKGHEZUJCYWLCX-NHYWBVRUSA-N 2 2 230.355 2.262 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396712864 387483784 /nfs/dbraw/zinc/48/37/84/387483784.db2.gz RTCWMQGLBVLNPQ-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507350 387484356 /nfs/dbraw/zinc/48/43/56/387484356.db2.gz AJGBTTOUGNMEIG-AWEZNQCLSA-N 2 2 246.354 2.111 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396701549 387486259 /nfs/dbraw/zinc/48/62/59/387486259.db2.gz NFJZOLFJNSGMNI-DOMZBBRYSA-N 2 2 232.371 2.479 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000304565219 387492331 /nfs/dbraw/zinc/49/23/31/387492331.db2.gz LVKNTQZQZQQJOK-YNEHKIRRSA-N 2 2 219.332 2.051 20 0 BEADLP CCC[NH+]1CCC([N@H+](C)CC2(F)CC2)CC1 ZINC000527509616 387586721 /nfs/dbraw/zinc/58/67/21/387586721.db2.gz HAKWXAUIOKAWNL-UHFFFAOYSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[NH+]1CCC([N@@H+](C)CC2(F)CC2)CC1 ZINC000527509616 387586725 /nfs/dbraw/zinc/58/67/25/387586725.db2.gz HAKWXAUIOKAWNL-UHFFFAOYSA-N 2 2 228.355 2.295 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC000355881391 387590058 /nfs/dbraw/zinc/59/00/58/387590058.db2.gz PTTWUJSNQAPNAO-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC000355881391 387590059 /nfs/dbraw/zinc/59/00/59/387590059.db2.gz PTTWUJSNQAPNAO-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000355881391 387590062 /nfs/dbraw/zinc/59/00/62/387590062.db2.gz PTTWUJSNQAPNAO-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000355881391 387590063 /nfs/dbraw/zinc/59/00/63/387590063.db2.gz PTTWUJSNQAPNAO-SNVBAGLBSA-N 2 2 238.297 2.212 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2cccnc21 ZINC000643511302 387593340 /nfs/dbraw/zinc/59/33/40/387593340.db2.gz XARJDLGSRZXKNC-KGLIPLIRSA-N 2 2 247.386 2.422 20 0 BEADLP COC1(C)C[NH+](CCCc2c[nH+]ccc2C)C1 ZINC000362309229 387593763 /nfs/dbraw/zinc/59/37/63/387593763.db2.gz OZYOLDZYPAGVOH-UHFFFAOYSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc(C[N@H+](C)CC[NH3+])ccc1Cl ZINC000162919717 387598775 /nfs/dbraw/zinc/59/87/75/387598775.db2.gz WPMHNDHIXLLDPM-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP Cc1cc(C[N@@H+](C)CC[NH3+])ccc1Cl ZINC000162919717 387598778 /nfs/dbraw/zinc/59/87/78/387598778.db2.gz WPMHNDHIXLLDPM-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc(C2CC2)c1 ZINC000422558875 387600952 /nfs/dbraw/zinc/60/09/52/387600952.db2.gz ZWFNQUDTKYOLTB-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)s1 ZINC000643516375 387622648 /nfs/dbraw/zinc/62/26/48/387622648.db2.gz MJEFAGCXEICLEA-WRWORJQWSA-N 2 2 239.388 2.148 20 0 BEADLP c1csc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000527533245 387623615 /nfs/dbraw/zinc/62/36/15/387623615.db2.gz SEHBWKODLFHYQE-LLVKDONJSA-N 2 2 222.357 2.122 20 0 BEADLP c1ccc2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCC1)C2 ZINC000035013050 387550037 /nfs/dbraw/zinc/55/00/37/387550037.db2.gz WDYIWZVNWVYURC-INIZCTEOSA-N 2 2 244.382 2.229 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000426472194 387573684 /nfs/dbraw/zinc/57/36/84/387573684.db2.gz OBJZZRVSFOFRGR-OLZOCXBDSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000426472194 387573689 /nfs/dbraw/zinc/57/36/89/387573689.db2.gz OBJZZRVSFOFRGR-OLZOCXBDSA-N 2 2 219.332 2.148 20 0 BEADLP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000430621240 387632538 /nfs/dbraw/zinc/63/25/38/387632538.db2.gz CMAPRKXAQURWQC-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC000430621240 387632541 /nfs/dbraw/zinc/63/25/41/387632541.db2.gz CMAPRKXAQURWQC-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422722363 387633740 /nfs/dbraw/zinc/63/37/40/387633740.db2.gz XKEVTVKOTLBKFL-UONOGXRCSA-N 2 2 248.370 2.443 20 0 BEADLP CN(C)c1ccccc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000430642856 387635364 /nfs/dbraw/zinc/63/53/64/387635364.db2.gz LBUKNEMRRCHGFP-AWEZNQCLSA-N 2 2 247.386 2.066 20 0 BEADLP CN(C)c1ccccc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000430642856 387635371 /nfs/dbraw/zinc/63/53/71/387635371.db2.gz LBUKNEMRRCHGFP-AWEZNQCLSA-N 2 2 247.386 2.066 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422730415 387638153 /nfs/dbraw/zinc/63/81/53/387638153.db2.gz DWBCGVJHVRYVSP-TZMCWYRMSA-N 2 2 248.370 2.173 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000123053010 387640650 /nfs/dbraw/zinc/64/06/50/387640650.db2.gz XCBZEVOSRPTGEX-BPNCWPANSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000123053010 387640653 /nfs/dbraw/zinc/64/06/53/387640653.db2.gz XCBZEVOSRPTGEX-BPNCWPANSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422747794 387651680 /nfs/dbraw/zinc/65/16/80/387651680.db2.gz RAAYXRJCDJKHMO-BZPMIXESSA-N 2 2 218.344 2.478 20 0 BEADLP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000440785536 387695587 /nfs/dbraw/zinc/69/55/87/387695587.db2.gz PNTDTRHNMRPLSR-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000440785536 387695591 /nfs/dbraw/zinc/69/55/91/387695591.db2.gz PNTDTRHNMRPLSR-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000440785536 387695596 /nfs/dbraw/zinc/69/55/96/387695596.db2.gz PNTDTRHNMRPLSR-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000440785536 387695599 /nfs/dbraw/zinc/69/55/99/387695599.db2.gz PNTDTRHNMRPLSR-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)[N@H+](C)C1CC1 ZINC000527655884 387662860 /nfs/dbraw/zinc/66/28/60/387662860.db2.gz UETKAUVQRSLDPF-FIXIBIHLSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000527655884 387662863 /nfs/dbraw/zinc/66/28/63/387662863.db2.gz UETKAUVQRSLDPF-FIXIBIHLSA-N 2 2 236.403 2.493 20 0 BEADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422777064 387674108 /nfs/dbraw/zinc/67/41/08/387674108.db2.gz FBYPHVZHLJJTBY-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781016 387681570 /nfs/dbraw/zinc/68/15/70/387681570.db2.gz JZKPHQONTFDZSE-KWCYVHTRSA-N 2 2 233.359 2.263 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)n1C ZINC000527736076 387682996 /nfs/dbraw/zinc/68/29/96/387682996.db2.gz PZMKZBZPVYMLHB-FRRDWIJNSA-N 2 2 233.359 2.254 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422791045 387692629 /nfs/dbraw/zinc/69/26/29/387692629.db2.gz VGUAHWSHCWKKOQ-IUODEOHRSA-N 2 2 232.371 2.337 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCC[NH2+]1 ZINC000422867225 387746577 /nfs/dbraw/zinc/74/65/77/387746577.db2.gz RWPAXLBFBMUESB-NEPJUHHUSA-N 2 2 224.373 2.368 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422871755 387749390 /nfs/dbraw/zinc/74/93/90/387749390.db2.gz DMRYJHSBNBCHCZ-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527842487 387751046 /nfs/dbraw/zinc/75/10/46/387751046.db2.gz KIAMTKAFEXANOX-MNOVXSKESA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527847047 387752212 /nfs/dbraw/zinc/75/22/12/387752212.db2.gz NTFBAGNZJOQAEB-XQQFMLRXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527847047 387752217 /nfs/dbraw/zinc/75/22/17/387752217.db2.gz NTFBAGNZJOQAEB-XQQFMLRXSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccco1)CCC2 ZINC000377830341 387752607 /nfs/dbraw/zinc/75/26/07/387752607.db2.gz CRYXOJBVYLSGIP-GFCCVEGCSA-N 2 2 245.326 2.452 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)C[N@@H+]1C1CC1 ZINC000157156226 387753380 /nfs/dbraw/zinc/75/33/80/387753380.db2.gz CMFHFNJUYUBRAQ-BDAKNGLRSA-N 2 2 236.281 2.154 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC(F)(F)F)C[N@H+]1C1CC1 ZINC000157156226 387753384 /nfs/dbraw/zinc/75/33/84/387753384.db2.gz CMFHFNJUYUBRAQ-BDAKNGLRSA-N 2 2 236.281 2.154 20 0 BEADLP CC[C@H](F)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000440783612 387697794 /nfs/dbraw/zinc/69/77/94/387697794.db2.gz LNMDZCWADJNYLX-STQMWFEESA-N 2 2 239.338 2.404 20 0 BEADLP CC[C@H](F)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000440783612 387697799 /nfs/dbraw/zinc/69/77/99/387697799.db2.gz LNMDZCWADJNYLX-STQMWFEESA-N 2 2 239.338 2.404 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422800005 387697984 /nfs/dbraw/zinc/69/79/84/387697984.db2.gz ZARKRKMVHFMGLL-UGFHNGPFSA-N 2 2 230.355 2.404 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000440787500 387700578 /nfs/dbraw/zinc/70/05/78/387700578.db2.gz WATJBLPSAYETNC-LLVKDONJSA-N 2 2 225.311 2.337 20 0 BEADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422806962 387706141 /nfs/dbraw/zinc/70/61/41/387706141.db2.gz JDADAZKPMFIQKT-HUUCEWRRSA-N 2 2 230.355 2.398 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000377269247 387708546 /nfs/dbraw/zinc/70/85/46/387708546.db2.gz WWXUVQZAZLVRFB-TZOMUSMUSA-N 2 2 216.756 2.155 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000377269247 387708554 /nfs/dbraw/zinc/70/85/54/387708554.db2.gz WWXUVQZAZLVRFB-TZOMUSMUSA-N 2 2 216.756 2.155 20 0 BEADLP C[C@]12C[N@H+](CCn3cc[nH+]c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452042311 387711369 /nfs/dbraw/zinc/71/13/69/387711369.db2.gz FGIWVSBQFIZJAH-CBBWQLFWSA-N 2 2 245.370 2.251 20 0 BEADLP C[C@]12C[N@@H+](CCn3cc[nH+]c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452042311 387711372 /nfs/dbraw/zinc/71/13/72/387711372.db2.gz FGIWVSBQFIZJAH-CBBWQLFWSA-N 2 2 245.370 2.251 20 0 BEADLP Cc1cc(F)c(C[NH2+]CCC[NH+](C)C)c(F)c1 ZINC000424142479 387730151 /nfs/dbraw/zinc/73/01/51/387730151.db2.gz YHQNWXYXVFNAAL-UHFFFAOYSA-N 2 2 242.313 2.315 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000643525972 387756135 /nfs/dbraw/zinc/75/61/35/387756135.db2.gz KYPNTHSELMALGR-RNFRBKRXSA-N 2 2 218.753 2.399 20 0 BEADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528186 387767136 /nfs/dbraw/zinc/76/71/36/387767136.db2.gz FHHPLRPFQBRTOS-IUCAKERBSA-N 2 2 242.750 2.346 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000643528305 387768093 /nfs/dbraw/zinc/76/80/93/387768093.db2.gz GTVILBYZXBIQQE-GHMZBOCLSA-N 2 2 229.327 2.233 20 0 BEADLP CC(C)C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccn1 ZINC000643528303 387768231 /nfs/dbraw/zinc/76/82/31/387768231.db2.gz GTLRXBHGIXOWBL-WCQYABFASA-N 2 2 221.348 2.106 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000643528855 387772028 /nfs/dbraw/zinc/77/20/28/387772028.db2.gz QFGAXCFGGRWANE-RNFRBKRXSA-N 2 2 232.249 2.102 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000643528980 387772767 /nfs/dbraw/zinc/77/27/67/387772767.db2.gz SGRKZROYPFJZOI-KOLCDFICSA-N 2 2 222.332 2.230 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643529392 387776490 /nfs/dbraw/zinc/77/64/90/387776490.db2.gz ZESUHCVLBZIETJ-MNOVXSKESA-N 2 2 222.332 2.001 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH3+])CCCO2 ZINC000643529340 387776692 /nfs/dbraw/zinc/77/66/92/387776692.db2.gz YUBFEXNHQSQNFV-DGCLKSJQSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000643529707 387777280 /nfs/dbraw/zinc/77/72/80/387777280.db2.gz PHUATQWIPYBCSB-RCOVLWMOSA-N 2 2 244.260 2.028 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC12CC2 ZINC000527896631 387777294 /nfs/dbraw/zinc/77/72/94/387777294.db2.gz CNNAQHLEOHRZGO-DCAQKATOSA-N 2 2 231.343 2.045 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC12CC2 ZINC000527896631 387777297 /nfs/dbraw/zinc/77/72/97/387777297.db2.gz CNNAQHLEOHRZGO-DCAQKATOSA-N 2 2 231.343 2.045 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC12CC2 ZINC000527897095 387777594 /nfs/dbraw/zinc/77/75/94/387777594.db2.gz ZJOZYAVPFARDBU-NEPJUHHUSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[N@@H+](Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000442650002 387812382 /nfs/dbraw/zinc/81/23/82/387812382.db2.gz ODGYRVMYMQNWTC-NSHDSACASA-N 2 2 224.323 2.383 20 0 BEADLP CC(C)[N@H+](Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000442650002 387812385 /nfs/dbraw/zinc/81/23/85/387812385.db2.gz ODGYRVMYMQNWTC-NSHDSACASA-N 2 2 224.323 2.383 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527942040 387781677 /nfs/dbraw/zinc/78/16/77/387781677.db2.gz APHRRBBWKPBFLN-SMDDNHRTSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527942040 387781683 /nfs/dbraw/zinc/78/16/83/387781683.db2.gz APHRRBBWKPBFLN-SMDDNHRTSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422979419 387789684 /nfs/dbraw/zinc/78/96/84/387789684.db2.gz MQXRAXVJWATNNW-VIUFGFMOSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC000309506223 387812943 /nfs/dbraw/zinc/81/29/43/387812943.db2.gz VZBOYDTZHKNVSZ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCCC1 ZINC000309506223 387812945 /nfs/dbraw/zinc/81/29/45/387812945.db2.gz VZBOYDTZHKNVSZ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422997437 387803591 /nfs/dbraw/zinc/80/35/91/387803591.db2.gz BANCUGRXTMUJHJ-SWLSCSKDSA-N 2 2 248.370 2.091 20 0 BEADLP FC(F)C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000442632822 387810832 /nfs/dbraw/zinc/81/08/32/387810832.db2.gz GFCHUMAKIIBWKN-UHFFFAOYSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527854819 387758334 /nfs/dbraw/zinc/75/83/34/387758334.db2.gz XFKVLYIOXFTPQD-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527854819 387758338 /nfs/dbraw/zinc/75/83/38/387758338.db2.gz XFKVLYIOXFTPQD-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1nccc2ccccc21 ZINC000643526552 387758458 /nfs/dbraw/zinc/75/84/58/387758458.db2.gz AXSKQSYFZWYANV-WDEREUQCSA-N 2 2 229.327 2.233 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129065365 387760281 /nfs/dbraw/zinc/76/02/81/387760281.db2.gz MIOQOVSAGGEUSU-CQSZACIVSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000129065365 387760285 /nfs/dbraw/zinc/76/02/85/387760285.db2.gz MIOQOVSAGGEUSU-CQSZACIVSA-N 2 2 248.345 2.460 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000643526916 387760180 /nfs/dbraw/zinc/76/01/80/387760180.db2.gz HLJTXXBYKDRGSP-RNFRBKRXSA-N 2 2 218.753 2.399 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643527035 387760916 /nfs/dbraw/zinc/76/09/16/387760916.db2.gz CFAWBUPAXVFRFB-GHMZBOCLSA-N 2 2 222.332 2.001 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643527036 387761096 /nfs/dbraw/zinc/76/10/96/387761096.db2.gz CFAWBUPAXVFRFB-MNOVXSKESA-N 2 2 222.332 2.001 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643527037 387761596 /nfs/dbraw/zinc/76/15/96/387761596.db2.gz CFAWBUPAXVFRFB-QWRGUYRKSA-N 2 2 222.332 2.001 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000643526917 387761613 /nfs/dbraw/zinc/76/16/13/387761613.db2.gz HLJTXXBYKDRGSP-RQJHMYQMSA-N 2 2 218.753 2.399 20 0 BEADLP C[C@H]([NH3+])C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000442665790 387820177 /nfs/dbraw/zinc/82/01/77/387820177.db2.gz NXYLBDCVIZMMRB-JTQLQIEISA-N 2 2 222.307 2.137 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000442665790 387820181 /nfs/dbraw/zinc/82/01/81/387820181.db2.gz NXYLBDCVIZMMRB-JTQLQIEISA-N 2 2 222.307 2.137 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010203 387822205 /nfs/dbraw/zinc/82/22/05/387822205.db2.gz JGGOOTFJKKEOIK-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010203 387822208 /nfs/dbraw/zinc/82/22/08/387822208.db2.gz JGGOOTFJKKEOIK-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@@](C)([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000442748691 387835091 /nfs/dbraw/zinc/83/50/91/387835091.db2.gz MVBPSYGFRQFTCR-BXKDBHETSA-N 2 2 240.351 2.090 20 0 BEADLP CCC[C@](C)([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000442748692 387835903 /nfs/dbraw/zinc/83/59/03/387835903.db2.gz MVBPSYGFRQFTCR-CABZTGNLSA-N 2 2 240.351 2.090 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014809 387838780 /nfs/dbraw/zinc/83/87/80/387838780.db2.gz JLBVWIHDYIVADJ-XUJVJEKNSA-N 2 2 247.386 2.435 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423014807 387839252 /nfs/dbraw/zinc/83/92/52/387839252.db2.gz JLBVWIHDYIVADJ-SLEUVZQESA-N 2 2 247.386 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cncc(F)c1 ZINC000423026366 387844454 /nfs/dbraw/zinc/84/44/54/387844454.db2.gz AYSPDLVVZOQDER-OUJBWJOFSA-N 2 2 237.322 2.012 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423026356 387844652 /nfs/dbraw/zinc/84/46/52/387844652.db2.gz AYSPDLVVZOQDER-CWSCBRNRSA-N 2 2 237.322 2.012 20 0 BEADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[NH3+])CCCO2 ZINC000062617127 387854267 /nfs/dbraw/zinc/85/42/67/387854267.db2.gz ZRCBAGALKCLHSJ-CYBMUJFWSA-N 2 2 234.343 2.065 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423051760 387859993 /nfs/dbraw/zinc/85/99/93/387859993.db2.gz OZDLEKZUIDHWCI-CIUDSAMLSA-N 2 2 224.270 2.057 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccs1 ZINC000643537579 387870536 /nfs/dbraw/zinc/87/05/36/387870536.db2.gz MAZQPXHZLJPQIZ-GARJFASQSA-N 2 2 242.363 2.489 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000442663157 387816179 /nfs/dbraw/zinc/81/61/79/387816179.db2.gz IWIGSVWZPKMOCQ-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000442663157 387816183 /nfs/dbraw/zinc/81/61/83/387816183.db2.gz IWIGSVWZPKMOCQ-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)no1 ZINC000423105833 387891017 /nfs/dbraw/zinc/89/10/17/387891017.db2.gz CMNXUPQMUQHDQV-SDDRHHMPSA-N 2 2 237.347 2.022 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1C(C)(C)C1(C)C ZINC000643537302 387875468 /nfs/dbraw/zinc/87/54/68/387875468.db2.gz DQYPRADYIFWKAE-VWYCJHECSA-N 2 2 242.382 2.347 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCCC[C@H]1C ZINC000643538386 387876488 /nfs/dbraw/zinc/87/64/88/387876488.db2.gz JBPFMFCQPQLNME-DGTMBMJNSA-N 2 2 242.382 2.491 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cs1 ZINC000643538860 387878715 /nfs/dbraw/zinc/87/87/15/387878715.db2.gz XZIRGQWOQHFJES-DLOVCJGASA-N 2 2 242.363 2.407 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)s1 ZINC000643539868 387881189 /nfs/dbraw/zinc/88/11/89/387881189.db2.gz IUQYOWSMXHHVAD-PRJMDXOYSA-N 2 2 227.377 2.146 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154538529 387899580 /nfs/dbraw/zinc/89/95/80/387899580.db2.gz HHAGTZJQXCTAMQ-QWRGUYRKSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000154538529 387899584 /nfs/dbraw/zinc/89/95/84/387899584.db2.gz HHAGTZJQXCTAMQ-QWRGUYRKSA-N 2 2 224.373 2.493 20 0 BEADLP Cc1cc(C[N@H+](C)CCn2cc[nH+]c2)ccc1F ZINC000444727794 387917514 /nfs/dbraw/zinc/91/75/14/387917514.db2.gz DAYBFFYUTDLOQV-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP Cc1cc(C[N@@H+](C)CCn2cc[nH+]c2)ccc1F ZINC000444727794 387917518 /nfs/dbraw/zinc/91/75/18/387917518.db2.gz DAYBFFYUTDLOQV-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP C[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[C@H]1CCCC[NH2+]1 ZINC000423152014 387929676 /nfs/dbraw/zinc/92/96/76/387929676.db2.gz FCRTWVNJPYHCRV-YVECIDJPSA-N 2 2 248.374 2.009 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100502 387930972 /nfs/dbraw/zinc/93/09/72/387930972.db2.gz AYRDRDBTRQEMJP-FZMZJTMJSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100502 387930974 /nfs/dbraw/zinc/93/09/74/387930974.db2.gz AYRDRDBTRQEMJP-FZMZJTMJSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000423145462 387923617 /nfs/dbraw/zinc/92/36/17/387923617.db2.gz KSDWYZUYKYSVRO-VOAKCMCISA-N 2 2 228.355 2.387 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1c[nH+]ccc1N ZINC000423147160 387923948 /nfs/dbraw/zinc/92/39/48/387923948.db2.gz RFNLEGDUJHOSRZ-PTOFAABTSA-N 2 2 223.295 2.035 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295616 387956183 /nfs/dbraw/zinc/95/61/83/387956183.db2.gz PVURWBDBSMYFCV-DLKVLKDVSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295616 387956186 /nfs/dbraw/zinc/95/61/86/387956186.db2.gz PVURWBDBSMYFCV-DLKVLKDVSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459443930 387943682 /nfs/dbraw/zinc/94/36/82/387943682.db2.gz YTMQDFSZYXLFBU-UPJWGTAASA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459443930 387943684 /nfs/dbraw/zinc/94/36/84/387943684.db2.gz YTMQDFSZYXLFBU-UPJWGTAASA-N 2 2 235.375 2.329 20 0 BEADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@@H]1C[C@@H]1C ZINC000321079401 387943709 /nfs/dbraw/zinc/94/37/09/387943709.db2.gz LOAMOXLAUXNXMX-LOWDOPEQSA-N 2 2 221.348 2.296 20 0 BEADLP c1cn(Cc2c[nH+]cn2Cc2ccccc2)c[nH+]1 ZINC000445601073 387951713 /nfs/dbraw/zinc/95/17/13/387951713.db2.gz PRJQFFXVURUZCU-UHFFFAOYSA-N 2 2 238.294 2.176 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245547863 387958933 /nfs/dbraw/zinc/95/89/33/387958933.db2.gz YBXOVNARLIMNTB-UONOGXRCSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245547863 387958938 /nfs/dbraw/zinc/95/89/38/387958938.db2.gz YBXOVNARLIMNTB-UONOGXRCSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245547863 387958942 /nfs/dbraw/zinc/95/89/42/387958942.db2.gz YBXOVNARLIMNTB-UONOGXRCSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245547863 387958947 /nfs/dbraw/zinc/95/89/47/387958947.db2.gz YBXOVNARLIMNTB-UONOGXRCSA-N 2 2 247.386 2.305 20 0 BEADLP CSc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1F ZINC000423187389 387972196 /nfs/dbraw/zinc/97/21/96/387972196.db2.gz PFUKUXYTIHFDKT-MRVPVSSYSA-N 2 2 228.336 2.157 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000400473831 387966494 /nfs/dbraw/zinc/96/64/94/387966494.db2.gz ZARKRKMVHFMGLL-CQDKDKBSSA-N 2 2 230.355 2.404 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cncs1 ZINC000423182084 387968584 /nfs/dbraw/zinc/96/85/84/387968584.db2.gz PSLFYEPCNTVWQY-SNVBAGLBSA-N 2 2 239.388 2.455 20 0 BEADLP Cc1nccnc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185295 387970564 /nfs/dbraw/zinc/97/05/64/387970564.db2.gz UZADXIXBKSCKAH-GFCCVEGCSA-N 2 2 248.374 2.097 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000158512048 387956786 /nfs/dbraw/zinc/95/67/86/387956786.db2.gz MWZCLSZNSZLLHT-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C)c(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000158512048 387956787 /nfs/dbraw/zinc/95/67/87/387956787.db2.gz MWZCLSZNSZLLHT-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccc(C)c(C)n1)[C@@H]1CCC[NH2+]1 ZINC000423170227 387957023 /nfs/dbraw/zinc/95/70/23/387957023.db2.gz LKVJLKDJDXHKLL-CABCVRRESA-N 2 2 247.386 2.319 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453067205 387978648 /nfs/dbraw/zinc/97/86/48/387978648.db2.gz YVWJOOHBUXTIES-CYBMUJFWSA-N 2 2 224.392 2.495 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423188616 387973168 /nfs/dbraw/zinc/97/31/68/387973168.db2.gz LULMUTRLZFXGQC-STQMWFEESA-N 2 2 248.370 2.488 20 0 BEADLP CCSc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423192961 387977725 /nfs/dbraw/zinc/97/77/25/387977725.db2.gz WBMHMGCGWBTUMQ-SNVBAGLBSA-N 2 2 224.373 2.408 20 0 BEADLP Cc1ccc([C@@H]([NH2+]CC[NH3+])C2CCCC2)o1 ZINC000423192951 387977945 /nfs/dbraw/zinc/97/79/45/387977945.db2.gz WAUSPMFPMXJCKY-ZDUSSCGKSA-N 2 2 222.332 2.368 20 0 BEADLP C[C@H](C[NH2+]C1CCc2ccccc2CC1)[NH+](C)C ZINC000453116660 387987900 /nfs/dbraw/zinc/98/79/00/387987900.db2.gz YDDMKTQEFBRIJY-CYBMUJFWSA-N 2 2 246.398 2.474 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(C)ccc1OC ZINC000423201727 387988288 /nfs/dbraw/zinc/98/82/88/387988288.db2.gz JFBCVKRFYOQKIR-GXTWGEPZSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367564 387992095 /nfs/dbraw/zinc/99/20/95/387992095.db2.gz MRAWPIOFIWEELA-NXEZZACHSA-N 2 2 240.372 2.116 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000423209614 387993167 /nfs/dbraw/zinc/99/31/67/387993167.db2.gz VHKFBMOYRQDBSK-LQJRIPTKSA-N 2 2 234.318 2.011 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423212514 387995193 /nfs/dbraw/zinc/99/51/93/387995193.db2.gz JRZZTOXQPXNDGK-OLZOCXBDSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cnccn1 ZINC000423197674 387983285 /nfs/dbraw/zinc/98/32/85/387983285.db2.gz ANPJIGMCIVMDSE-GFCCVEGCSA-N 2 2 248.374 2.179 20 0 BEADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423197488 387983711 /nfs/dbraw/zinc/98/37/11/387983711.db2.gz ZPBVZPWAJDIVPX-JSGCOSHPSA-N 2 2 233.359 2.264 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453102178 387983777 /nfs/dbraw/zinc/98/37/77/387983777.db2.gz XIOBZRIACOFXSC-AWEZNQCLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453102178 387983782 /nfs/dbraw/zinc/98/37/82/387983782.db2.gz XIOBZRIACOFXSC-AWEZNQCLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000423200476 387985126 /nfs/dbraw/zinc/98/51/26/387985126.db2.gz FUDANIPTPOKGCD-JSGCOSHPSA-N 2 2 234.343 2.098 20 0 BEADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000423199259 387985640 /nfs/dbraw/zinc/98/56/40/387985640.db2.gz BBLUVZJCUWCYNG-DGCLKSJQSA-N 2 2 236.746 2.279 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000423200271 387985889 /nfs/dbraw/zinc/98/58/89/387985889.db2.gz FFAJSMOCONIKQY-VHSXEESVSA-N 2 2 224.373 2.323 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cs1 ZINC000423214031 387998373 /nfs/dbraw/zinc/99/83/73/387998373.db2.gz ODOBJBDCRMUDAH-ONGXEEELSA-N 2 2 239.388 2.102 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423224254 388005140 /nfs/dbraw/zinc/00/51/40/388005140.db2.gz ISEPQJAWWQMBCT-NSHDSACASA-N 2 2 206.333 2.119 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000423225160 388007799 /nfs/dbraw/zinc/00/77/99/388007799.db2.gz LNPDNJPYMQVUPM-RISCZKNCSA-N 2 2 218.344 2.434 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000423240519 388024695 /nfs/dbraw/zinc/02/46/95/388024695.db2.gz HIFAMCKAYDOMFF-JTQLQIEISA-N 2 2 242.313 2.095 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423227525 388011485 /nfs/dbraw/zinc/01/14/85/388011485.db2.gz WDEGVPASWHGRDX-GFCCVEGCSA-N 2 2 224.735 2.136 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1csc(C)c1 ZINC000423230706 388015145 /nfs/dbraw/zinc/01/51/45/388015145.db2.gz FDFATKUCCOGCIO-JTQLQIEISA-N 2 2 212.362 2.317 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(F)cc(F)c1 ZINC000423229243 388015188 /nfs/dbraw/zinc/01/51/88/388015188.db2.gz ALBXAXKNLYPXQL-RNCFNFMXSA-N 2 2 240.297 2.367 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423234914 388018702 /nfs/dbraw/zinc/01/87/02/388018702.db2.gz MNLLCQDXCWVINK-SMDDNHRTSA-N 2 2 218.344 2.434 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cs1 ZINC000423234403 388019633 /nfs/dbraw/zinc/01/96/33/388019633.db2.gz LSAPJLQEEWTSTQ-JQWIXIFHSA-N 2 2 224.373 2.459 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)s1 ZINC000423238860 388022244 /nfs/dbraw/zinc/02/22/44/388022244.db2.gz FKXAGAUOIOMEIZ-SNVBAGLBSA-N 2 2 212.362 2.317 20 0 BEADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1CCOC1 ZINC000423250045 388032193 /nfs/dbraw/zinc/03/21/93/388032193.db2.gz UJLDLAKRUMSHRC-ILXRZTDVSA-N 2 2 248.370 2.091 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423253013 388035283 /nfs/dbraw/zinc/03/52/83/388035283.db2.gz YDZSXPGVDVHSAR-CYBMUJFWSA-N 2 2 222.307 2.012 20 0 BEADLP COC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCC1 ZINC000446757126 388037713 /nfs/dbraw/zinc/03/77/13/388037713.db2.gz QVGSGEHZLIWJCI-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnccn1 ZINC000423259410 388038406 /nfs/dbraw/zinc/03/84/06/388038406.db2.gz DRJOSCQLSVOPLE-YPMHNXCESA-N 2 2 248.374 2.035 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1nccs1 ZINC000423261135 388040156 /nfs/dbraw/zinc/04/01/56/388040156.db2.gz JDJGJNHBHUIGCB-VHSXEESVSA-N 2 2 227.377 2.167 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C[C@@H]1C ZINC000082836011 388041730 /nfs/dbraw/zinc/04/17/30/388041730.db2.gz RSNMYENOWNNFMP-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1F ZINC000423264612 388041829 /nfs/dbraw/zinc/04/18/29/388041829.db2.gz AJMSGUSMPHYJGO-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423243286 388026570 /nfs/dbraw/zinc/02/65/70/388026570.db2.gz JZCSIXCDYIQESK-NSHDSACASA-N 2 2 229.327 2.105 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245104 388027654 /nfs/dbraw/zinc/02/76/54/388027654.db2.gz YDDJBZHARZKVLG-ZJUUUORDSA-N 2 2 240.372 2.159 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](C1CC1)C1CCC1)C2 ZINC000453263337 388028233 /nfs/dbraw/zinc/02/82/33/388028233.db2.gz YTIAAMDLMMFHQI-WFASDCNBSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)CC2 ZINC000453263337 388028236 /nfs/dbraw/zinc/02/82/36/388028236.db2.gz YTIAAMDLMMFHQI-WFASDCNBSA-N 2 2 245.370 2.435 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423246255 388029741 /nfs/dbraw/zinc/02/97/41/388029741.db2.gz NDWJGADJLSWZKH-MFKMUULPSA-N 2 2 204.317 2.044 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]CC)c1cccnc1 ZINC000423247382 388030428 /nfs/dbraw/zinc/03/04/28/388030428.db2.gz PAIJCXJLOPETKW-CYBMUJFWSA-N 2 2 221.348 2.122 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccn1 ZINC000423271835 388050908 /nfs/dbraw/zinc/05/09/08/388050908.db2.gz YFUCWNHEFOKOSJ-NWDGAFQWSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)cn1 ZINC000423281360 388063748 /nfs/dbraw/zinc/06/37/48/388063748.db2.gz BBZGNMQXUOUEPD-MRVPVSSYSA-N 2 2 227.739 2.123 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(F)c1F ZINC000423282172 388064190 /nfs/dbraw/zinc/06/41/90/388064190.db2.gz CDVBIHTYIRLLDN-MRVPVSSYSA-N 2 2 228.286 2.353 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423281672 388064273 /nfs/dbraw/zinc/06/42/73/388064273.db2.gz UIPOFSYHDRNIHE-ZANVPECISA-N 2 2 222.307 2.214 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423283475 388064888 /nfs/dbraw/zinc/06/48/88/388064888.db2.gz FGTHEKGRWMOBFE-NSHDSACASA-N 2 2 236.359 2.473 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423285099 388069089 /nfs/dbraw/zinc/06/90/89/388069089.db2.gz YVLQUMDMNUJNDZ-ZJUUUORDSA-N 2 2 242.388 2.391 20 0 BEADLP COC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)C ZINC000453396515 388070813 /nfs/dbraw/zinc/07/08/13/388070813.db2.gz KUDZIHUMZULLGM-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)C ZINC000453396515 388070818 /nfs/dbraw/zinc/07/08/18/388070818.db2.gz KUDZIHUMZULLGM-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423288773 388072789 /nfs/dbraw/zinc/07/27/89/388072789.db2.gz UXSODIZLFVZOJP-JTQLQIEISA-N 2 2 221.348 2.032 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000084340589 388076830 /nfs/dbraw/zinc/07/68/30/388076830.db2.gz XFHXHILTKJBOHS-KGLIPLIRSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCOC1(C)C ZINC000453412046 388076976 /nfs/dbraw/zinc/07/69/76/388076976.db2.gz XNAWHXPQFYWWLP-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCOC1(C)C ZINC000453412046 388076979 /nfs/dbraw/zinc/07/69/79/388076979.db2.gz XNAWHXPQFYWWLP-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000453424489 388080424 /nfs/dbraw/zinc/08/04/24/388080424.db2.gz YDCFSQBHCHZUSN-DYEKYZERSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000453424489 388080425 /nfs/dbraw/zinc/08/04/25/388080425.db2.gz YDCFSQBHCHZUSN-DYEKYZERSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000453424490 388080709 /nfs/dbraw/zinc/08/07/09/388080709.db2.gz YDCFSQBHCHZUSN-MBNYWOFBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000453424490 388080711 /nfs/dbraw/zinc/08/07/11/388080711.db2.gz YDCFSQBHCHZUSN-MBNYWOFBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000453468433 388084169 /nfs/dbraw/zinc/08/41/69/388084169.db2.gz ZIAUVNSEKPRGJJ-RFQIPJPRSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000453468433 388084171 /nfs/dbraw/zinc/08/41/71/388084171.db2.gz ZIAUVNSEKPRGJJ-RFQIPJPRSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336659390 388086378 /nfs/dbraw/zinc/08/63/78/388086378.db2.gz JEZDSQUAKHUKBB-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336659390 388086380 /nfs/dbraw/zinc/08/63/80/388086380.db2.gz JEZDSQUAKHUKBB-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCCC1CCOCC1 ZINC000453602646 388091581 /nfs/dbraw/zinc/09/15/81/388091581.db2.gz GUCYGSRLEKEJLF-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453622943 388094982 /nfs/dbraw/zinc/09/49/82/388094982.db2.gz BANIYTSANNZFQI-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP c1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000086727381 388107996 /nfs/dbraw/zinc/10/79/96/388107996.db2.gz RRIXNDNSGNQXBW-KGLIPLIRSA-N 2 2 216.328 2.089 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423267300 388045374 /nfs/dbraw/zinc/04/53/74/388045374.db2.gz FEGIWSPQBSTBLA-KOLCDFICSA-N 2 2 241.766 2.369 20 0 BEADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1OC ZINC000423267590 388045419 /nfs/dbraw/zinc/04/54/19/388045419.db2.gz CTUIJIYEYGQRCP-UONOGXRCSA-N 2 2 248.370 2.473 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000423266883 388046400 /nfs/dbraw/zinc/04/64/00/388046400.db2.gz SOFBZNYEDBFPOT-JQWIXIFHSA-N 2 2 239.338 2.245 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449191987 388155583 /nfs/dbraw/zinc/15/55/83/388155583.db2.gz PZVCFHDVNANVLN-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449191987 388155585 /nfs/dbraw/zinc/15/55/85/388155585.db2.gz PZVCFHDVNANVLN-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449221032 388159102 /nfs/dbraw/zinc/15/91/02/388159102.db2.gz RXKNVKRPJSVKKL-GFCCVEGCSA-N 2 2 224.348 2.142 20 0 BEADLP COc1cc(C)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000449222286 388159251 /nfs/dbraw/zinc/15/92/51/388159251.db2.gz WCAIUTZXUUSFLT-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP Cc1cccc(CC[NH2+]C[C@H](C)[NH+](C)C)c1 ZINC000449225711 388159355 /nfs/dbraw/zinc/15/93/55/388159355.db2.gz OUSLKAUVGLETJJ-ZDUSSCGKSA-N 2 2 220.360 2.077 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449259974 388164063 /nfs/dbraw/zinc/16/40/63/388164063.db2.gz UHBZDYMITGTBTM-DGCLKSJQSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCC[C@H]1C ZINC000449268959 388164655 /nfs/dbraw/zinc/16/46/55/388164655.db2.gz KPQQPPCHERMBRF-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449322365 388172682 /nfs/dbraw/zinc/17/26/82/388172682.db2.gz XFHNTRXAPBJWRK-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449322365 388172683 /nfs/dbraw/zinc/17/26/83/388172683.db2.gz XFHNTRXAPBJWRK-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CCCn1cc[nH+]c1 ZINC000449059744 388136596 /nfs/dbraw/zinc/13/65/96/388136596.db2.gz BNJVSEQEUZRCBY-GFCCVEGCSA-N 2 2 233.315 2.087 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000449089494 388141259 /nfs/dbraw/zinc/14/12/59/388141259.db2.gz KSUMSJKILRZZBU-FZMZJTMJSA-N 2 2 236.359 2.140 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@@H+](C)C(C)C)c1 ZINC000449113889 388144315 /nfs/dbraw/zinc/14/43/15/388144315.db2.gz YAQMJSRKFBMHNM-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@H+](C)C(C)C)c1 ZINC000449113889 388144318 /nfs/dbraw/zinc/14/43/18/388144318.db2.gz YAQMJSRKFBMHNM-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)CCCOC)C1CCC1 ZINC000449171498 388152294 /nfs/dbraw/zinc/15/22/94/388152294.db2.gz KQEMMDYGHXJBLL-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)CCCOC)C1CCC1 ZINC000449171498 388152297 /nfs/dbraw/zinc/15/22/97/388152297.db2.gz KQEMMDYGHXJBLL-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@H](C)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000165139064 388251199 /nfs/dbraw/zinc/25/11/99/388251199.db2.gz WOACCBYDTTYYFG-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165159807 388251342 /nfs/dbraw/zinc/25/13/42/388251342.db2.gz GLEBLLLYLRCBRB-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165154680 388251446 /nfs/dbraw/zinc/25/14/46/388251446.db2.gz NAQMVELXIVEAAZ-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398573 388194420 /nfs/dbraw/zinc/19/44/20/388194420.db2.gz VPDOMVXASDOHRR-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398573 388194422 /nfs/dbraw/zinc/19/44/22/388194422.db2.gz VPDOMVXASDOHRR-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CC/C=C/C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449458605 388210729 /nfs/dbraw/zinc/21/07/29/388210729.db2.gz PHBDBQPAUAXSSS-AATRIKPKSA-N 2 2 239.388 2.261 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449487071 388216745 /nfs/dbraw/zinc/21/67/45/388216745.db2.gz WTYWOZQKGHWLTI-NMKXLXIOSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449487071 388216746 /nfs/dbraw/zinc/21/67/46/388216746.db2.gz WTYWOZQKGHWLTI-NMKXLXIOSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487328 388216785 /nfs/dbraw/zinc/21/67/85/388216785.db2.gz XYGNNPNLUKCKNB-AAEUAGOBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487328 388216786 /nfs/dbraw/zinc/21/67/86/388216786.db2.gz XYGNNPNLUKCKNB-AAEUAGOBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000449499269 388220210 /nfs/dbraw/zinc/22/02/10/388220210.db2.gz TWZCSUOICARAEW-QJPTWQEYSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000449499269 388220212 /nfs/dbraw/zinc/22/02/12/388220212.db2.gz TWZCSUOICARAEW-QJPTWQEYSA-N 2 2 246.345 2.352 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000449522508 388223822 /nfs/dbraw/zinc/22/38/22/388223822.db2.gz LDIZRGAKLQHLQV-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)[C@H](C)O ZINC000449544455 388227884 /nfs/dbraw/zinc/22/78/84/388227884.db2.gz QOMFRFPIHGLWCT-JSGCOSHPSA-N 2 2 236.359 2.072 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000235145933 388365049 /nfs/dbraw/zinc/36/50/49/388365049.db2.gz UZOGNVREASGQQE-IUCAKERBSA-N 2 2 244.285 2.286 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000572721725 388370902 /nfs/dbraw/zinc/37/09/02/388370902.db2.gz BVONCVDYMLCBQJ-AAEUAGOBSA-N 3 2 235.375 2.038 20 0 BEADLP C[C@@H](C[NH2+]Cc1c(F)cccc1F)C[NH+](C)C ZINC000291639880 388377072 /nfs/dbraw/zinc/37/70/72/388377072.db2.gz BILWRWBPIZNGHC-JTQLQIEISA-N 2 2 242.313 2.252 20 0 BEADLP Cc1sccc1C[NH2+]CC[NH+]1CCCC1 ZINC000294242232 388398193 /nfs/dbraw/zinc/39/81/93/388398193.db2.gz UCUSOVNZIRBWGV-UHFFFAOYSA-N 2 2 224.373 2.242 20 0 BEADLP CC[N@H+](CC[NH3+])CCSc1ccc(F)cc1 ZINC000300862691 388399549 /nfs/dbraw/zinc/39/95/49/388399549.db2.gz VOHBJGMUNSHGGL-UHFFFAOYSA-N 2 2 242.363 2.198 20 0 BEADLP CC[N@@H+](CC[NH3+])CCSc1ccc(F)cc1 ZINC000300862691 388399551 /nfs/dbraw/zinc/39/95/51/388399551.db2.gz VOHBJGMUNSHGGL-UHFFFAOYSA-N 2 2 242.363 2.198 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCc1ccccc1 ZINC000308609295 388445485 /nfs/dbraw/zinc/44/54/85/388445485.db2.gz RALAMEIXHBBAFB-UHFFFAOYSA-N 2 2 220.360 2.159 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000334671166 388446368 /nfs/dbraw/zinc/44/63/68/388446368.db2.gz OEYNZZNPVNXVBH-SWLSCSKDSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000334671166 388446370 /nfs/dbraw/zinc/44/63/70/388446370.db2.gz OEYNZZNPVNXVBH-SWLSCSKDSA-N 2 2 247.386 2.128 20 0 BEADLP FC1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000525987781 388452875 /nfs/dbraw/zinc/45/28/75/388452875.db2.gz BSSSTDASXVEUES-UHFFFAOYSA-N 2 2 245.301 2.464 20 0 BEADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCC2(C)C)CCSC1 ZINC000336674629 388462328 /nfs/dbraw/zinc/46/23/28/388462328.db2.gz AWXLNJYFMBWHDA-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[N@H+](C)C1CC1 ZINC000336697829 388464322 /nfs/dbraw/zinc/46/43/22/388464322.db2.gz OKBNICWGXJKDRM-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[N@@H+](C)C1CC1 ZINC000336697829 388464325 /nfs/dbraw/zinc/46/43/25/388464325.db2.gz OKBNICWGXJKDRM-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000328225889 388408032 /nfs/dbraw/zinc/40/80/32/388408032.db2.gz BSGUJLQZQPYNFD-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000328225889 388408036 /nfs/dbraw/zinc/40/80/36/388408036.db2.gz BSGUJLQZQPYNFD-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000328535081 388418153 /nfs/dbraw/zinc/41/81/53/388418153.db2.gz ZWTIYYDVCQIWCA-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)CCCS2)C1 ZINC000328535081 388418154 /nfs/dbraw/zinc/41/81/54/388418154.db2.gz ZWTIYYDVCQIWCA-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP c1[nH]c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245703918 388429158 /nfs/dbraw/zinc/42/91/58/388429158.db2.gz DQRXUHPVISTNMG-VXGBXAGGSA-N 2 2 237.372 2.270 20 0 BEADLP c1[nH]c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245703918 388429159 /nfs/dbraw/zinc/42/91/59/388429159.db2.gz DQRXUHPVISTNMG-VXGBXAGGSA-N 2 2 237.372 2.270 20 0 BEADLP CCC[C@@H]([NH2+]CC[N@H+](C)CC)C1CCC1 ZINC000322460272 388434921 /nfs/dbraw/zinc/43/49/21/388434921.db2.gz LBUCBXZCYRXIAW-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H]([NH2+]CC[N@@H+](C)CC)C1CCC1 ZINC000322460272 388434922 /nfs/dbraw/zinc/43/49/22/388434922.db2.gz LBUCBXZCYRXIAW-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@](C)(C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000322563750 388438976 /nfs/dbraw/zinc/43/89/76/388438976.db2.gz XQHZRIJYIYZICP-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@](C)(C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000322563750 388438978 /nfs/dbraw/zinc/43/89/78/388438978.db2.gz XQHZRIJYIYZICP-SGMGOOAPSA-N 2 2 240.391 2.016 20 0 BEADLP C/C(Cl)=C\C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528512140 388538283 /nfs/dbraw/zinc/53/82/83/388538283.db2.gz ILNPOQZHKWCRJZ-JPOQUURFSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000528512140 388538284 /nfs/dbraw/zinc/53/82/84/388538284.db2.gz ILNPOQZHKWCRJZ-JPOQUURFSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000528512140 388538285 /nfs/dbraw/zinc/53/82/85/388538285.db2.gz ILNPOQZHKWCRJZ-JPOQUURFSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000528512140 388538289 /nfs/dbraw/zinc/53/82/89/388538289.db2.gz ILNPOQZHKWCRJZ-JPOQUURFSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528512144 388538510 /nfs/dbraw/zinc/53/85/10/388538510.db2.gz ILNPOQZHKWCRJZ-NDZKXSSTSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528512144 388538513 /nfs/dbraw/zinc/53/85/13/388538513.db2.gz ILNPOQZHKWCRJZ-NDZKXSSTSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000528512144 388538516 /nfs/dbraw/zinc/53/85/16/388538516.db2.gz ILNPOQZHKWCRJZ-NDZKXSSTSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000528512144 388538519 /nfs/dbraw/zinc/53/85/19/388538519.db2.gz ILNPOQZHKWCRJZ-NDZKXSSTSA-N 2 2 228.767 2.157 20 0 BEADLP CCC(=O)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287147 388543184 /nfs/dbraw/zinc/54/31/84/388543184.db2.gz ISCXJULAGSTURB-ZDUSSCGKSA-N 2 2 249.358 2.279 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CC1(C)C ZINC000397690144 388490160 /nfs/dbraw/zinc/49/01/60/388490160.db2.gz WZLDOVNIANIWDM-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000397741339 388495890 /nfs/dbraw/zinc/49/58/90/388495890.db2.gz NCMFDKVBQGKNBY-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC1 ZINC000397833234 388503688 /nfs/dbraw/zinc/50/36/88/388503688.db2.gz NTCYFRYAXVHURZ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CC1(C)C ZINC000397853325 388506692 /nfs/dbraw/zinc/50/66/92/388506692.db2.gz SMYDREKUJYQFCF-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000397872232 388507957 /nfs/dbraw/zinc/50/79/57/388507957.db2.gz TWNDSRLWIVAYEY-AWEZNQCLSA-N 2 2 248.345 2.497 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000397882137 388509190 /nfs/dbraw/zinc/50/91/90/388509190.db2.gz ZGHNTWPTAWPFEI-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000347077225 388522468 /nfs/dbraw/zinc/52/24/68/388522468.db2.gz VGPUCMRQPHUMBG-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000347077225 388522471 /nfs/dbraw/zinc/52/24/71/388522471.db2.gz VGPUCMRQPHUMBG-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H]1CC=C(C)CC1 ZINC000550911706 388617373 /nfs/dbraw/zinc/61/73/73/388617373.db2.gz VMHBRIWATQJBJA-AWEZNQCLSA-N 2 2 240.391 2.043 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC=C(C)CC1 ZINC000550911706 388617377 /nfs/dbraw/zinc/61/73/77/388617377.db2.gz VMHBRIWATQJBJA-AWEZNQCLSA-N 2 2 240.391 2.043 20 0 BEADLP CC1CC[NH+](CCn2cc[nH+]c2C2CC2)CC1 ZINC000530129230 388614202 /nfs/dbraw/zinc/61/42/02/388614202.db2.gz JHYKMTDUVSRLRD-UHFFFAOYSA-N 2 2 233.359 2.492 20 0 BEADLP C[C@@H]1CC(F)(F)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528765781 388569711 /nfs/dbraw/zinc/56/97/11/388569711.db2.gz FRDLUFXPTYAFCK-LLVKDONJSA-N 2 2 243.301 2.393 20 0 BEADLP COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177642 388621192 /nfs/dbraw/zinc/62/11/92/388621192.db2.gz LLARZYZZPTUBNH-CQSZACIVSA-N 2 2 246.354 2.069 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000530218813 388631313 /nfs/dbraw/zinc/63/13/13/388631313.db2.gz JUNPJQBBOKYGBZ-AAEUAGOBSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccnc1 ZINC000530218816 388631739 /nfs/dbraw/zinc/63/17/39/388631739.db2.gz JUNPJQBBOKYGBZ-DGCLKSJQSA-N 2 2 231.343 2.017 20 0 BEADLP CC[C@@H]([NH2+]Cc1cccnc1C)[C@@H]1CCC[NH2+]1 ZINC000530224706 388633796 /nfs/dbraw/zinc/63/37/96/388633796.db2.gz WUVWIGIERRYYOV-KGLIPLIRSA-N 2 2 233.359 2.010 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083434957 388640219 /nfs/dbraw/zinc/64/02/19/388640219.db2.gz OWSOXVOBFKWIPC-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000251098464 388745312 /nfs/dbraw/zinc/74/53/12/388745312.db2.gz JOKJBBYLCAWLSY-AEJSXWLSSA-N 2 2 236.281 2.059 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000251884533 388755345 /nfs/dbraw/zinc/75/53/45/388755345.db2.gz VMFMZGOCYJUGLC-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000251884533 388755349 /nfs/dbraw/zinc/75/53/49/388755349.db2.gz VMFMZGOCYJUGLC-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1cc(Br)cs1 ZINC000229851354 388801931 /nfs/dbraw/zinc/80/19/31/388801931.db2.gz FPJDQEURFPTRMN-ZCFIWIBFSA-N 2 2 249.177 2.120 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252101919 388760837 /nfs/dbraw/zinc/76/08/37/388760837.db2.gz GJKRVHDTMGWFAZ-IJLUTSLNSA-N 2 2 207.321 2.050 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000229296260 388784082 /nfs/dbraw/zinc/78/40/82/388784082.db2.gz YJHFXGCMJALXLJ-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C)C1)C1CC1 ZINC000229296260 388784086 /nfs/dbraw/zinc/78/40/86/388784086.db2.gz YJHFXGCMJALXLJ-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000129724486 388867983 /nfs/dbraw/zinc/86/79/83/388867983.db2.gz VJWXMTKHZFCDMX-GXFFZTMASA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000129724486 388867987 /nfs/dbraw/zinc/86/79/87/388867987.db2.gz VJWXMTKHZFCDMX-GXFFZTMASA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000129723886 388868907 /nfs/dbraw/zinc/86/89/07/388868907.db2.gz VJWXMTKHZFCDMX-MFKMUULPSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000129723886 388868912 /nfs/dbraw/zinc/86/89/12/388868912.db2.gz VJWXMTKHZFCDMX-MFKMUULPSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000129771656 388871260 /nfs/dbraw/zinc/87/12/60/388871260.db2.gz QVTGLSWULLTEFU-SRVKXCTJSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000129771656 388871262 /nfs/dbraw/zinc/87/12/62/388871262.db2.gz QVTGLSWULLTEFU-SRVKXCTJSA-N 2 2 222.332 2.413 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000564822654 388891505 /nfs/dbraw/zinc/89/15/05/388891505.db2.gz UCYCGRKRIBZVOG-OLZOCXBDSA-N 2 2 248.370 2.406 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000566088782 388986261 /nfs/dbraw/zinc/98/62/61/388986261.db2.gz MKBUHEQOGAUGJG-BDAKNGLRSA-N 2 2 238.297 2.163 20 0 BEADLP CC1(C)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000271286359 389018829 /nfs/dbraw/zinc/01/88/29/389018829.db2.gz RDIBGACWZSYJJF-NSHDSACASA-N 2 2 215.300 2.222 20 0 BEADLP Cc1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[nH+]1 ZINC000274686594 132203639 /nfs/dbraw/zinc/20/36/39/132203639.db2.gz YOCUQPKUGPIQHV-GFCCVEGCSA-N 2 2 242.326 2.497 20 0 BEADLP CC(C)=CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340596078 132222230 /nfs/dbraw/zinc/22/22/30/132222230.db2.gz RIBGWVSFDOCFDW-UHFFFAOYSA-N 2 2 245.370 2.478 20 0 BEADLP CC[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000301377434 132253138 /nfs/dbraw/zinc/25/31/38/132253138.db2.gz WRGAJNVZIYZDFO-UHFFFAOYSA-N 2 2 247.367 2.438 20 0 BEADLP Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000094342808 132311995 /nfs/dbraw/zinc/31/19/95/132311995.db2.gz KPYZFIAUQCJZJR-PWSUYJOCSA-N 2 2 248.374 2.082 20 0 BEADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000036932220 132343050 /nfs/dbraw/zinc/34/30/50/132343050.db2.gz PUDIWOKDOGLMPL-GFCCVEGCSA-N 2 2 245.370 2.439 20 0 BEADLP c1ccc(N2CCC([NH2+]CC3CCC3)CC2)[nH+]c1 ZINC000037253515 132344305 /nfs/dbraw/zinc/34/43/05/132344305.db2.gz HWLCAEOTKYTNAR-UHFFFAOYSA-N 2 2 245.370 2.440 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000334734622 133743525 /nfs/dbraw/zinc/74/35/25/133743525.db2.gz HEJNJEGBCLQKHY-GFCCVEGCSA-N 2 2 247.367 2.358 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969282 134029441 /nfs/dbraw/zinc/02/94/41/134029441.db2.gz HXNHMPFYZBTMAT-HOJRLLLISA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969282 134029442 /nfs/dbraw/zinc/02/94/42/134029442.db2.gz HXNHMPFYZBTMAT-HOJRLLLISA-N 2 2 244.382 2.472 20 0 BEADLP C1=CC[C@H](C[N@@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000335996742 134042211 /nfs/dbraw/zinc/04/22/11/134042211.db2.gz ULJRYVLERRNENO-ZDUSSCGKSA-N 2 2 220.360 2.123 20 0 BEADLP C1=CC[C@H](C[N@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000335996742 134042212 /nfs/dbraw/zinc/04/22/12/134042212.db2.gz ULJRYVLERRNENO-ZDUSSCGKSA-N 2 2 220.360 2.123 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336038293 134060516 /nfs/dbraw/zinc/06/05/16/134060516.db2.gz RJKPQZZYPBALAA-NSHDSACASA-N 2 2 247.367 2.427 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336038293 134060517 /nfs/dbraw/zinc/06/05/17/134060517.db2.gz RJKPQZZYPBALAA-NSHDSACASA-N 2 2 247.367 2.427 20 0 BEADLP CCc1ccc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000352257106 134119438 /nfs/dbraw/zinc/11/94/38/134119438.db2.gz PWMPCVFFUKCWBX-UHFFFAOYSA-N 2 2 244.342 2.020 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000168699276 134242908 /nfs/dbraw/zinc/24/29/08/134242908.db2.gz MVEIMYASGPLFDI-IBEXFIOLSA-N 2 2 236.403 2.351 20 0 BEADLP CSCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000173620972 134276033 /nfs/dbraw/zinc/27/60/33/134276033.db2.gz VWEFASCRFBZNKJ-ZDUSSCGKSA-N 2 2 242.432 2.300 20 0 BEADLP CSCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000173620972 134276034 /nfs/dbraw/zinc/27/60/34/134276034.db2.gz VWEFASCRFBZNKJ-ZDUSSCGKSA-N 2 2 242.432 2.300 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000178384459 134309126 /nfs/dbraw/zinc/30/91/26/134309126.db2.gz CDTLKFXDYLJFOG-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000178384459 134309127 /nfs/dbraw/zinc/30/91/27/134309127.db2.gz CDTLKFXDYLJFOG-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221671499 134325765 /nfs/dbraw/zinc/32/57/65/134325765.db2.gz FWRUEMHSSOOAQD-TUAOUCFPSA-N 2 2 210.365 2.390 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221671499 134325766 /nfs/dbraw/zinc/32/57/66/134325766.db2.gz FWRUEMHSSOOAQD-TUAOUCFPSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000221672509 134325908 /nfs/dbraw/zinc/32/59/08/134325908.db2.gz SRLIAXABVISXIZ-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000222010357 134329043 /nfs/dbraw/zinc/32/90/43/134329043.db2.gz LOMVXXOMXCASGN-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185207502 134375113 /nfs/dbraw/zinc/37/51/13/134375113.db2.gz CWUPJPBVOZIXOA-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185207502 134375114 /nfs/dbraw/zinc/37/51/14/134375114.db2.gz CWUPJPBVOZIXOA-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000070477759 134918833 /nfs/dbraw/zinc/91/88/33/134918833.db2.gz QAKAVXVEZFCPBK-GFCCVEGCSA-N 2 2 248.374 2.002 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070643607 135001729 /nfs/dbraw/zinc/00/17/29/135001729.db2.gz BQEXHZMYFCZFFR-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCC(C)(C)C1)[NH+](C)C ZINC000070683164 135007847 /nfs/dbraw/zinc/00/78/47/135007847.db2.gz JYCSSWAIKGNZPE-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C[C@H]([NH3+])CC(C)C)n1 ZINC000070733697 135011643 /nfs/dbraw/zinc/01/16/43/135011643.db2.gz AVBHOORWCBWDNZ-WDEREUQCSA-N 2 2 241.404 2.476 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000248897562 135026660 /nfs/dbraw/zinc/02/66/60/135026660.db2.gz MYABEOKOYGZXEH-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000248897562 135026662 /nfs/dbraw/zinc/02/66/62/135026662.db2.gz MYABEOKOYGZXEH-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000251876242 135080581 /nfs/dbraw/zinc/08/05/81/135080581.db2.gz QWLHOFMKXYBXAW-WUHRBBMRSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)C ZINC000252136653 135084324 /nfs/dbraw/zinc/08/43/24/135084324.db2.gz LOMVXXOMXCASGN-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000252164272 135086099 /nfs/dbraw/zinc/08/60/99/135086099.db2.gz QGHHQRVHDATIHB-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000252156466 135086141 /nfs/dbraw/zinc/08/61/41/135086141.db2.gz PFEXFQONOYGOKR-AVGNSLFASA-N 2 2 212.381 2.338 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086729903 135095168 /nfs/dbraw/zinc/09/51/68/135095168.db2.gz KSPTTYSJLXJIRC-ONGXEEELSA-N 2 2 222.357 2.077 20 0 BEADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086727320 135095257 /nfs/dbraw/zinc/09/52/57/135095257.db2.gz WOOJKKMUDSWRAC-UONOGXRCSA-N 2 2 218.344 2.479 20 0 BEADLP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000086727382 135095275 /nfs/dbraw/zinc/09/52/75/135095275.db2.gz RRIXNDNSGNQXBW-ZIAGYGMSSA-N 2 2 216.328 2.089 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000252893960 135115786 /nfs/dbraw/zinc/11/57/86/135115786.db2.gz SGEXVEWJKONMJG-SMDDNHRTSA-N 2 2 236.334 2.256 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000252893960 135115789 /nfs/dbraw/zinc/11/57/89/135115789.db2.gz SGEXVEWJKONMJG-SMDDNHRTSA-N 2 2 236.334 2.256 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1coc2ccccc12 ZINC000259979106 135145955 /nfs/dbraw/zinc/14/59/55/135145955.db2.gz IORMGOTUMPFTNS-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1coc2ccccc12 ZINC000259979106 135145956 /nfs/dbraw/zinc/14/59/56/135145956.db2.gz IORMGOTUMPFTNS-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP CSc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000259989078 135146399 /nfs/dbraw/zinc/14/63/99/135146399.db2.gz JDOWHAWKTIDCIQ-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000259989078 135146401 /nfs/dbraw/zinc/14/64/01/135146401.db2.gz JDOWHAWKTIDCIQ-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000261530179 135157529 /nfs/dbraw/zinc/15/75/29/135157529.db2.gz XSCALPMSQODPHZ-IUCAKERBSA-N 2 2 212.724 2.165 20 0 BEADLP C[N@H+](Cc1ccccc1Cl)C1CC([NH3+])C1 ZINC000087653302 135160587 /nfs/dbraw/zinc/16/05/87/135160587.db2.gz KOLGPHCMHFGCGK-UHFFFAOYSA-N 2 2 224.735 2.262 20 0 BEADLP C[N@@H+](Cc1ccccc1Cl)C1CC([NH3+])C1 ZINC000087653302 135160589 /nfs/dbraw/zinc/16/05/89/135160589.db2.gz KOLGPHCMHFGCGK-UHFFFAOYSA-N 2 2 224.735 2.262 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000261533557 135165127 /nfs/dbraw/zinc/16/51/27/135165127.db2.gz KXGTUQCKHHBHIF-ZJUUUORDSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccs1 ZINC000261533557 135165128 /nfs/dbraw/zinc/16/51/28/135165128.db2.gz KXGTUQCKHHBHIF-ZJUUUORDSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533630 135165276 /nfs/dbraw/zinc/16/52/76/135165276.db2.gz INCURZNHJDLIOO-GIPNMCIBSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533630 135165278 /nfs/dbraw/zinc/16/52/78/135165278.db2.gz INCURZNHJDLIOO-GIPNMCIBSA-N 2 2 222.307 2.166 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000087771506 135167014 /nfs/dbraw/zinc/16/70/14/135167014.db2.gz MOSUSQVONNSUIA-NEPJUHHUSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000087771506 135167016 /nfs/dbraw/zinc/16/70/16/135167016.db2.gz MOSUSQVONNSUIA-NEPJUHHUSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000261535807 135170507 /nfs/dbraw/zinc/17/05/07/135170507.db2.gz PGZVZRPTVRWWEC-QPUJVOFHSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000261535807 135170508 /nfs/dbraw/zinc/17/05/08/135170508.db2.gz PGZVZRPTVRWWEC-QPUJVOFHSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1F ZINC000261538444 135176711 /nfs/dbraw/zinc/17/67/11/135176711.db2.gz YDOLDVDKTXAORP-SECBINFHSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCSc1ccccc1 ZINC000261539702 135178435 /nfs/dbraw/zinc/17/84/35/135178435.db2.gz DAAAAHLQGLKJTG-NSHDSACASA-N 2 2 224.373 2.058 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCSc1ccccc1 ZINC000261539702 135178437 /nfs/dbraw/zinc/17/84/37/135178437.db2.gz DAAAAHLQGLKJTG-NSHDSACASA-N 2 2 224.373 2.058 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000261543034 135183733 /nfs/dbraw/zinc/18/37/33/135183733.db2.gz CQKXEDHTPMJZNZ-TUAOUCFPSA-N 2 2 236.359 2.390 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000261543035 135183895 /nfs/dbraw/zinc/18/38/95/135183895.db2.gz CQKXEDHTPMJZNZ-UTUOFQBUSA-N 2 2 236.359 2.390 20 0 BEADLP COc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261544440 135185261 /nfs/dbraw/zinc/18/52/61/135185261.db2.gz YCVVVNPJYCZJLU-COPLHBTASA-N 2 2 234.343 2.035 20 0 BEADLP COc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261544440 135185262 /nfs/dbraw/zinc/18/52/62/135185262.db2.gz YCVVVNPJYCZJLU-COPLHBTASA-N 2 2 234.343 2.035 20 0 BEADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261551563 135190609 /nfs/dbraw/zinc/19/06/09/135190609.db2.gz MGBKWPCPWKOANT-BXUZGUMPSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261551563 135190611 /nfs/dbraw/zinc/19/06/11/135190611.db2.gz MGBKWPCPWKOANT-BXUZGUMPSA-N 2 2 234.343 2.007 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261553635 135192660 /nfs/dbraw/zinc/19/26/60/135192660.db2.gz AJOMBNPDRSKZPX-SWLSCSKDSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261553635 135192662 /nfs/dbraw/zinc/19/26/62/135192662.db2.gz AJOMBNPDRSKZPX-SWLSCSKDSA-N 2 2 248.345 2.318 20 0 BEADLP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC[NH3+])C1 ZINC000261563803 135205218 /nfs/dbraw/zinc/20/52/18/135205218.db2.gz BZXIJBHHBIFYKN-ZWNOBZJWSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC[NH3+])C1 ZINC000261563803 135205220 /nfs/dbraw/zinc/20/52/20/135205220.db2.gz BZXIJBHHBIFYKN-ZWNOBZJWSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H](C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC000084329150 135211043 /nfs/dbraw/zinc/21/10/43/135211043.db2.gz CYHLYNVWGHZACH-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccccc2Cl)CCC1 ZINC000261574547 135215451 /nfs/dbraw/zinc/21/54/51/135215451.db2.gz JFVUIGFVYSEYQL-UHFFFAOYSA-N 2 2 224.735 2.311 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000261581225 135221764 /nfs/dbraw/zinc/22/17/64/135221764.db2.gz NJYVXDLUOMLUJS-YIZRAAEISA-N 2 2 228.286 2.351 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000261581223 135221792 /nfs/dbraw/zinc/22/17/92/135221792.db2.gz NJYVXDLUOMLUJS-HLTSFMKQSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH3+])[C@@H]1c1cccc(F)c1 ZINC000261584847 135225940 /nfs/dbraw/zinc/22/59/40/135225940.db2.gz QBOWOIXQRZSSBB-GWCFXTLKSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH3+])[C@@H]1c1cccc(F)c1 ZINC000261584847 135225941 /nfs/dbraw/zinc/22/59/41/135225941.db2.gz QBOWOIXQRZSSBB-GWCFXTLKSA-N 2 2 222.307 2.167 20 0 BEADLP CC(C)([NH3+])C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000261596869 135236807 /nfs/dbraw/zinc/23/68/07/135236807.db2.gz ZAABTGGOFSMLKP-UHFFFAOYSA-N 2 2 212.381 2.482 20 0 BEADLP CSc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261599687 135237349 /nfs/dbraw/zinc/23/73/49/135237349.db2.gz ZWWDSWGKPXJPPA-GXFFZTMASA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261599687 135237351 /nfs/dbraw/zinc/23/73/51/135237351.db2.gz ZWWDSWGKPXJPPA-GXFFZTMASA-N 2 2 236.384 2.330 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1[NH3+] ZINC000261546486 135238772 /nfs/dbraw/zinc/23/87/72/135238772.db2.gz ZMLMJMNKUOEURP-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1[NH3+] ZINC000261546486 135238773 /nfs/dbraw/zinc/23/87/73/135238773.db2.gz ZMLMJMNKUOEURP-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP CCc1cccc(F)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261964057 135267211 /nfs/dbraw/zinc/26/72/11/135267211.db2.gz HOEVBLRMYFBDPR-HZMBPMFUSA-N 2 2 236.334 2.167 20 0 BEADLP CCc1cccc(F)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261964057 135267212 /nfs/dbraw/zinc/26/72/12/135267212.db2.gz HOEVBLRMYFBDPR-HZMBPMFUSA-N 2 2 236.334 2.167 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262100105 135278258 /nfs/dbraw/zinc/27/82/58/135278258.db2.gz VMHCDRRQGVUHQY-XHDPSFHLSA-N 2 2 248.370 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262100105 135278260 /nfs/dbraw/zinc/27/82/60/135278260.db2.gz VMHCDRRQGVUHQY-XHDPSFHLSA-N 2 2 248.370 2.037 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000262182770 135284613 /nfs/dbraw/zinc/28/46/13/135284613.db2.gz WYGZGADTWRWRGC-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000262182770 135284615 /nfs/dbraw/zinc/28/46/15/135284615.db2.gz WYGZGADTWRWRGC-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C)CC1 ZINC000334168204 135324399 /nfs/dbraw/zinc/32/43/99/135324399.db2.gz ALCFZQNYJBNXBH-LBPRGKRZSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C)CC1 ZINC000334168204 135324401 /nfs/dbraw/zinc/32/44/01/135324401.db2.gz ALCFZQNYJBNXBH-LBPRGKRZSA-N 2 2 221.348 2.314 20 0 BEADLP C[C@H]1SCC[N@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000262952178 135324718 /nfs/dbraw/zinc/32/47/18/135324718.db2.gz JTWNYDGYAHEMCB-DGCLKSJQSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]1SCC[N@@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000262952178 135324720 /nfs/dbraw/zinc/32/47/20/135324720.db2.gz JTWNYDGYAHEMCB-DGCLKSJQSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]1SCC[N@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000262952177 135325034 /nfs/dbraw/zinc/32/50/34/135325034.db2.gz JTWNYDGYAHEMCB-AAEUAGOBSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]1SCC[N@@H+](CC[NH3+])[C@@H]1c1ccccc1 ZINC000262952177 135325036 /nfs/dbraw/zinc/32/50/36/135325036.db2.gz JTWNYDGYAHEMCB-AAEUAGOBSA-N 2 2 236.384 2.124 20 0 BEADLP [NH3+]CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000263076571 135331534 /nfs/dbraw/zinc/33/15/34/135331534.db2.gz XDEQIPYWQLXLMH-GFCCVEGCSA-N 2 2 236.384 2.059 20 0 BEADLP [NH3+]CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000263076571 135331535 /nfs/dbraw/zinc/33/15/35/135331535.db2.gz XDEQIPYWQLXLMH-GFCCVEGCSA-N 2 2 236.384 2.059 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000343071519 135356222 /nfs/dbraw/zinc/35/62/22/135356222.db2.gz BJEXZVOZMAATBY-UMVBOHGHSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000343071519 135356224 /nfs/dbraw/zinc/35/62/24/135356224.db2.gz BJEXZVOZMAATBY-UMVBOHGHSA-N 2 2 232.371 2.330 20 0 BEADLP CCCCOCCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000343112908 135357758 /nfs/dbraw/zinc/35/77/58/135357758.db2.gz WLFQPXHPKNKTJQ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCCCOCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343112908 135357759 /nfs/dbraw/zinc/35/77/59/135357759.db2.gz WLFQPXHPKNKTJQ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343146578 135360564 /nfs/dbraw/zinc/36/05/64/135360564.db2.gz GMSKAGLEFJMXAE-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000299919030 135381603 /nfs/dbraw/zinc/38/16/03/135381603.db2.gz LAEKOVMASPMWJW-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000299919030 135381604 /nfs/dbraw/zinc/38/16/04/135381604.db2.gz LAEKOVMASPMWJW-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c(C)c1 ZINC000299917609 135381855 /nfs/dbraw/zinc/38/18/55/135381855.db2.gz IZLCVMLXJMIAIK-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c(C)c1 ZINC000299917609 135381857 /nfs/dbraw/zinc/38/18/57/135381857.db2.gz IZLCVMLXJMIAIK-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1C ZINC000299921735 135383488 /nfs/dbraw/zinc/38/34/88/135383488.db2.gz QOQRPDWKCQTVGQ-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1C ZINC000299921735 135383489 /nfs/dbraw/zinc/38/34/89/135383489.db2.gz QOQRPDWKCQTVGQ-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000086874123 135498038 /nfs/dbraw/zinc/49/80/38/135498038.db2.gz RWVBRFASXUNVBC-CQSZACIVSA-N 2 2 240.391 2.021 20 0 BEADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335031241 135868925 /nfs/dbraw/zinc/86/89/25/135868925.db2.gz GOVBRPBAFIIPIW-SWLSCSKDSA-N 2 2 245.370 2.275 20 0 BEADLP C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC000335282775 136000455 /nfs/dbraw/zinc/00/04/55/136000455.db2.gz VJEVGFOTJJENBD-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC000335282775 136000456 /nfs/dbraw/zinc/00/04/56/136000456.db2.gz VJEVGFOTJJENBD-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000335283650 136001836 /nfs/dbraw/zinc/00/18/36/136001836.db2.gz FCSDLSLHZQSNJQ-MNOVXSKESA-N 2 2 231.299 2.142 20 0 BEADLP CC1CCC([N@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000347734492 136004301 /nfs/dbraw/zinc/00/43/01/136004301.db2.gz PZNRCZPCOSMGNP-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP CC1CCC([N@@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000347734492 136004302 /nfs/dbraw/zinc/00/43/02/136004302.db2.gz PZNRCZPCOSMGNP-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)C(C1CC1)C1CC1 ZINC000347745778 136011137 /nfs/dbraw/zinc/01/11/37/136011137.db2.gz IBIFITCMGIVYRK-UHFFFAOYSA-N 2 2 233.359 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)C(C1CC1)C1CC1 ZINC000347745778 136011138 /nfs/dbraw/zinc/01/11/38/136011138.db2.gz IBIFITCMGIVYRK-UHFFFAOYSA-N 2 2 233.359 2.083 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC(O)CC1 ZINC000347922253 136018756 /nfs/dbraw/zinc/01/87/56/136018756.db2.gz NJSWBWAQZLFWMU-UHFFFAOYSA-N 2 2 248.370 2.216 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348086567 136034734 /nfs/dbraw/zinc/03/47/34/136034734.db2.gz PWJOFWVDNJNBMT-RABLLNBGSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348086567 136034735 /nfs/dbraw/zinc/03/47/35/136034735.db2.gz PWJOFWVDNJNBMT-RABLLNBGSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348086564 136034865 /nfs/dbraw/zinc/03/48/65/136034865.db2.gz PWJOFWVDNJNBMT-KAOXEZKKSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348086564 136034866 /nfs/dbraw/zinc/03/48/66/136034866.db2.gz PWJOFWVDNJNBMT-KAOXEZKKSA-N 2 2 234.387 2.247 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152310 136040166 /nfs/dbraw/zinc/04/01/66/136040166.db2.gz CGJOCRSQKPRJAJ-GXTWGEPZSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152310 136040167 /nfs/dbraw/zinc/04/01/67/136040167.db2.gz CGJOCRSQKPRJAJ-GXTWGEPZSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152310 136040168 /nfs/dbraw/zinc/04/01/68/136040168.db2.gz CGJOCRSQKPRJAJ-GXTWGEPZSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152310 136040169 /nfs/dbraw/zinc/04/01/69/136040169.db2.gz CGJOCRSQKPRJAJ-GXTWGEPZSA-N 2 2 248.374 2.031 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cn1 ZINC000348172912 136042658 /nfs/dbraw/zinc/04/26/58/136042658.db2.gz LGZKEOICHQXZOF-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cn1 ZINC000348172912 136042659 /nfs/dbraw/zinc/04/26/59/136042659.db2.gz LGZKEOICHQXZOF-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000348172912 136042660 /nfs/dbraw/zinc/04/26/60/136042660.db2.gz LGZKEOICHQXZOF-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000348172912 136042661 /nfs/dbraw/zinc/04/26/61/136042661.db2.gz LGZKEOICHQXZOF-CQSZACIVSA-N 2 2 247.386 2.028 20 0 BEADLP CCOC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000348175372 136043041 /nfs/dbraw/zinc/04/30/41/136043041.db2.gz QUCHXYAGLSGCFA-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000348227451 136048173 /nfs/dbraw/zinc/04/81/73/136048173.db2.gz DPQCDNHUUNFAIW-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000348256639 136057638 /nfs/dbraw/zinc/05/76/38/136057638.db2.gz WTSJGCOBGQLSGY-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000348256639 136057639 /nfs/dbraw/zinc/05/76/39/136057639.db2.gz WTSJGCOBGQLSGY-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H]1CCOC1 ZINC000348259215 136057711 /nfs/dbraw/zinc/05/77/11/136057711.db2.gz DJEBVIXREXTRPL-AWEZNQCLSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000348258844 136057749 /nfs/dbraw/zinc/05/77/49/136057749.db2.gz KUWABEXVANOBSI-BPLDGKMQSA-N 2 2 232.371 2.330 20 0 BEADLP c1cn(CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000348316038 136068376 /nfs/dbraw/zinc/06/83/76/136068376.db2.gz FZBMCTYYGOBEKK-CABCVRRESA-N 2 2 241.338 2.276 20 0 BEADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000348369697 136073219 /nfs/dbraw/zinc/07/32/19/136073219.db2.gz VELDRIBNEOVWIE-LBPRGKRZSA-N 2 2 248.374 2.049 20 0 BEADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000348369697 136073220 /nfs/dbraw/zinc/07/32/20/136073220.db2.gz VELDRIBNEOVWIE-LBPRGKRZSA-N 2 2 248.374 2.049 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1C1CC1 ZINC000335375190 136085032 /nfs/dbraw/zinc/08/50/32/136085032.db2.gz XISHNVZQZXJEAY-CFGSLIKFSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1C1CC1 ZINC000335375190 136085033 /nfs/dbraw/zinc/08/50/33/136085033.db2.gz XISHNVZQZXJEAY-CFGSLIKFSA-N 2 2 226.339 2.092 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000647531359 397779942 /nfs/dbraw/zinc/77/99/42/397779942.db2.gz QKNQMEJOZPTYIV-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccsc1)CC2 ZINC000309534289 397861818 /nfs/dbraw/zinc/86/18/18/397861818.db2.gz DYTUOAPUZXTEFQ-NSHDSACASA-N 2 2 233.340 2.049 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@H]2CCC[C@@H]21 ZINC000649541222 397934163 /nfs/dbraw/zinc/93/41/63/397934163.db2.gz VYOBCOYVPITKOX-MCIONIFRSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@H]2CCC[C@@H]21 ZINC000649541222 397934166 /nfs/dbraw/zinc/93/41/66/397934166.db2.gz VYOBCOYVPITKOX-MCIONIFRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000649541222 397934167 /nfs/dbraw/zinc/93/41/67/397934167.db2.gz VYOBCOYVPITKOX-MCIONIFRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000649541222 397934168 /nfs/dbraw/zinc/93/41/68/397934168.db2.gz VYOBCOYVPITKOX-MCIONIFRSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]2CCC[C@@H]21 ZINC000649541224 397934438 /nfs/dbraw/zinc/93/44/38/397934438.db2.gz VYOBCOYVPITKOX-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]2CCC[C@@H]21 ZINC000649541224 397934441 /nfs/dbraw/zinc/93/44/41/397934441.db2.gz VYOBCOYVPITKOX-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000649541224 397934443 /nfs/dbraw/zinc/93/44/43/397934443.db2.gz VYOBCOYVPITKOX-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000649541224 397934447 /nfs/dbraw/zinc/93/44/47/397934447.db2.gz VYOBCOYVPITKOX-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)Oc1cc[nH+]c(Cn2cc[nH+]c2)c1 ZINC000649553382 397948032 /nfs/dbraw/zinc/94/80/32/397948032.db2.gz NLKVIDQVRKWIHY-UHFFFAOYSA-N 2 2 217.272 2.114 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000629545367 397968908 /nfs/dbraw/zinc/96/89/08/397968908.db2.gz CUOGGBQANRJZFA-VQISRLSMSA-N 2 2 246.354 2.023 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000449232623 397952155 /nfs/dbraw/zinc/95/21/55/397952155.db2.gz IOCGOPPBTZBTDR-YRGRVCCFSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449232623 397952160 /nfs/dbraw/zinc/95/21/60/397952160.db2.gz IOCGOPPBTZBTDR-YRGRVCCFSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1)[NH+](C)C ZINC000449555814 397956356 /nfs/dbraw/zinc/95/63/56/397956356.db2.gz ISHCXDRWNYXZIX-RXNFCKPNSA-N 2 2 236.334 2.379 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389524856 397962452 /nfs/dbraw/zinc/96/24/52/397962452.db2.gz HOHHKXICOMDEHT-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389524856 397962456 /nfs/dbraw/zinc/96/24/56/397962456.db2.gz HOHHKXICOMDEHT-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1F ZINC000643535461 397916156 /nfs/dbraw/zinc/91/61/56/397916156.db2.gz DXESGARAQHSRDG-VWYCJHECSA-N 2 2 240.297 2.176 20 0 BEADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537908 397918589 /nfs/dbraw/zinc/91/85/89/397918589.db2.gz ULQIDDSJVKOENB-AGIUHOORSA-N 2 2 228.355 2.411 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(F)c1 ZINC000643537641 397919012 /nfs/dbraw/zinc/91/90/12/397919012.db2.gz NGZKOHIPSNGOLU-XDTLVQLUSA-N 2 2 240.297 2.176 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537939 397919997 /nfs/dbraw/zinc/91/99/97/397919997.db2.gz VBTRGFVQACEENB-NHULGOKLSA-N 2 2 248.345 2.210 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000274675062 398013005 /nfs/dbraw/zinc/01/30/05/398013005.db2.gz YRFAXPNPUQMIPO-QWHCGFSZSA-N 2 2 244.342 2.326 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414792122 398038984 /nfs/dbraw/zinc/03/89/84/398038984.db2.gz ISDDWYRMLQBWPF-CYBMUJFWSA-N 2 2 236.359 2.158 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000022141883 397972286 /nfs/dbraw/zinc/97/22/86/397972286.db2.gz QJKNLISBSNURNJ-CYBMUJFWSA-N 2 2 206.333 2.289 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272625687 397980561 /nfs/dbraw/zinc/98/05/61/397980561.db2.gz MNNJFUBWGPABCX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272625687 397980566 /nfs/dbraw/zinc/98/05/66/397980566.db2.gz MNNJFUBWGPABCX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272625687 397980571 /nfs/dbraw/zinc/98/05/71/397980571.db2.gz MNNJFUBWGPABCX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272625687 397980577 /nfs/dbraw/zinc/98/05/77/397980577.db2.gz MNNJFUBWGPABCX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP CCc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000051724887 398059032 /nfs/dbraw/zinc/05/90/32/398059032.db2.gz YKXFQCLSHPFVOL-LLVKDONJSA-N 2 2 224.348 2.272 20 0 BEADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000335044207 398125590 /nfs/dbraw/zinc/12/55/90/398125590.db2.gz UKWSMZJBQOGVFQ-NEPJUHHUSA-N 2 2 208.305 2.029 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000062771989 1172779595 /nfs/dbraw/zinc/77/95/95/1172779595.db2.gz ZBYIPZHVLRVDCC-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccoc1 ZINC000087290049 322877312 /nfs/dbraw/zinc/87/73/12/322877312.db2.gz ATDUNSNORLRWEX-MNOVXSKESA-N 2 2 210.321 2.270 20 0 BEADLP CCCn1c[nH+]cc1CNc1cc(OC)cc[nH+]1 ZINC001650891006 1172906909 /nfs/dbraw/zinc/90/69/09/1172906909.db2.gz YLCQMMLGNFDDNY-UHFFFAOYSA-N 2 2 246.314 2.309 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000334873507 487575668 /nfs/dbraw/zinc/57/56/68/487575668.db2.gz ZZIVMQMHCDAUAY-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000334873507 487575676 /nfs/dbraw/zinc/57/56/76/487575676.db2.gz ZZIVMQMHCDAUAY-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H]2CC2(C)C)n1C ZINC000668814112 487581232 /nfs/dbraw/zinc/58/12/32/487581232.db2.gz ACEQTUHFWCENMA-NSHDSACASA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H]2CC2(C)C)n1C ZINC000668814112 487581236 /nfs/dbraw/zinc/58/12/36/487581236.db2.gz ACEQTUHFWCENMA-NSHDSACASA-N 2 2 221.348 2.206 20 0 BEADLP C[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000685850109 487588348 /nfs/dbraw/zinc/58/83/48/487588348.db2.gz AOFOLELURHDSJS-LLVKDONJSA-N 2 2 221.348 2.381 20 0 BEADLP C[C@H](C[N@H+]1CCn2c[nH+]cc2C1)C(C)(C)C ZINC000685850109 487588354 /nfs/dbraw/zinc/58/83/54/487588354.db2.gz AOFOLELURHDSJS-LLVKDONJSA-N 2 2 221.348 2.381 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)CS1 ZINC000086935490 487593383 /nfs/dbraw/zinc/59/33/83/487593383.db2.gz WIDPASXWLABFLJ-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCC(C)CC2)CS1 ZINC000086935491 487593536 /nfs/dbraw/zinc/59/35/36/487593536.db2.gz WIDPASXWLABFLJ-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232461256 487595739 /nfs/dbraw/zinc/59/57/39/487595739.db2.gz IFBRSTLUEFSVDU-YPMHNXCESA-N 2 2 234.343 2.389 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662241491 409529669 /nfs/dbraw/zinc/52/96/69/409529669.db2.gz SVVNVBBRAKCRQS-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662241491 409529675 /nfs/dbraw/zinc/52/96/75/409529675.db2.gz SVVNVBBRAKCRQS-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@]1(F)C[NH2+]CC[N@H+](CCCC2CCC2)C1 ZINC000662274922 409585318 /nfs/dbraw/zinc/58/53/18/409585318.db2.gz YQVSVECXNWBPOG-ZDUSSCGKSA-N 2 2 228.355 2.200 20 0 BEADLP Cc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000663503583 410278553 /nfs/dbraw/zinc/27/85/53/410278553.db2.gz PUWQXDNIEMZYGO-SWLSCSKDSA-N 2 2 230.355 2.324 20 0 BEADLP c1cc2c(c(C[NH2+][C@H]3CCC[NH2+]C3)c1)CCC2 ZINC000650703539 410332242 /nfs/dbraw/zinc/33/22/42/410332242.db2.gz FSEJJKLLVOUDDG-AWEZNQCLSA-N 2 2 230.355 2.017 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703393 410332932 /nfs/dbraw/zinc/33/29/32/410332932.db2.gz YKQYOLGJBSBPNS-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC000650703393 410332937 /nfs/dbraw/zinc/33/29/37/410332937.db2.gz YKQYOLGJBSBPNS-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702709 410333869 /nfs/dbraw/zinc/33/38/69/410333869.db2.gz QLDAXLMWHGPVQT-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702709 410333874 /nfs/dbraw/zinc/33/38/74/410333874.db2.gz QLDAXLMWHGPVQT-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cccc2c1CCC2 ZINC000650703838 410335733 /nfs/dbraw/zinc/33/57/33/410335733.db2.gz USPYUIFBKITQRQ-UHFFFAOYSA-N 2 2 232.371 2.265 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000650720709 410361270 /nfs/dbraw/zinc/36/12/70/410361270.db2.gz ZENQAOVXMRFHND-CHWSQXEVSA-N 2 2 240.391 2.003 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000650720709 410361275 /nfs/dbraw/zinc/36/12/75/410361275.db2.gz ZENQAOVXMRFHND-CHWSQXEVSA-N 2 2 240.391 2.003 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000650741385 410372465 /nfs/dbraw/zinc/37/24/65/410372465.db2.gz CIUANLZKSFOQHH-SLBVQIDZSA-N 2 2 244.382 2.439 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000393358647 410676880 /nfs/dbraw/zinc/67/68/80/410676880.db2.gz YGVVACTZSYGJCT-CABCVRRESA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000393358647 410676885 /nfs/dbraw/zinc/67/68/85/410676885.db2.gz YGVVACTZSYGJCT-CABCVRRESA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](OC)c1ccccc1 ZINC000393358648 410677553 /nfs/dbraw/zinc/67/75/53/410677553.db2.gz YGVVACTZSYGJCT-GJZGRUSLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000393358648 410677561 /nfs/dbraw/zinc/67/75/61/410677561.db2.gz YGVVACTZSYGJCT-GJZGRUSLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000665296888 410817189 /nfs/dbraw/zinc/81/71/89/410817189.db2.gz ZEXMKWNMRWRYGE-NWDGAFQWSA-N 2 2 235.375 2.011 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000665295346 410794451 /nfs/dbraw/zinc/79/44/51/410794451.db2.gz CGELASQHDUFHCI-WCBMZHEXSA-N 2 2 239.388 2.026 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000665295385 410794768 /nfs/dbraw/zinc/79/47/68/410794768.db2.gz CPUHTWRORVCDMU-JSGCOSHPSA-N 2 2 235.375 2.366 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000665296639 410813992 /nfs/dbraw/zinc/81/39/92/410813992.db2.gz VTCUDTPBMZISQB-WCBMZHEXSA-N 2 2 210.321 2.155 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000651220922 410868410 /nfs/dbraw/zinc/86/84/10/410868410.db2.gz BQOHGYLWUKGAPT-WDEREUQCSA-N 2 2 200.370 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000651220920 410868679 /nfs/dbraw/zinc/86/86/79/410868679.db2.gz BQOHGYLWUKGAPT-MNOVXSKESA-N 2 2 200.370 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000651268516 410891697 /nfs/dbraw/zinc/89/16/97/410891697.db2.gz PBJPIGYADMQCMA-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000651268516 410891699 /nfs/dbraw/zinc/89/16/99/410891699.db2.gz PBJPIGYADMQCMA-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000128365190 167094993 /nfs/dbraw/zinc/09/49/93/167094993.db2.gz CZXFELRFIRUOAQ-UHFFFAOYSA-N 2 2 222.332 2.242 20 0 BEADLP CC(C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000125450302 167102870 /nfs/dbraw/zinc/10/28/70/167102870.db2.gz VIOPYCXGHFWWBD-UHFFFAOYSA-N 2 2 207.321 2.272 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000123440553 167294701 /nfs/dbraw/zinc/29/47/01/167294701.db2.gz FHEGZJUGNBAGEP-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000123440553 167294699 /nfs/dbraw/zinc/29/46/99/167294699.db2.gz FHEGZJUGNBAGEP-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041028021 167305654 /nfs/dbraw/zinc/30/56/54/167305654.db2.gz OLWGHDOJHDUFPE-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041028021 167305656 /nfs/dbraw/zinc/30/56/56/167305656.db2.gz OLWGHDOJHDUFPE-AWEZNQCLSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000094079210 167308935 /nfs/dbraw/zinc/30/89/35/167308935.db2.gz UFFHZPCRLOBTPD-GXTWGEPZSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000226769674 167379526 /nfs/dbraw/zinc/37/95/26/167379526.db2.gz SKBLASTUPTVFOX-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000226769674 167379529 /nfs/dbraw/zinc/37/95/29/167379529.db2.gz SKBLASTUPTVFOX-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@]1([NH2+]CCc2cc[nH+]cc2C)CCOC1 ZINC000397521523 410927020 /nfs/dbraw/zinc/92/70/20/410927020.db2.gz FOGHVVKTFIDLAZ-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000651684979 411135975 /nfs/dbraw/zinc/13/59/75/411135975.db2.gz DYWQHMXBYGJZDR-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000651684979 411135977 /nfs/dbraw/zinc/13/59/77/411135977.db2.gz DYWQHMXBYGJZDR-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000651731992 411139513 /nfs/dbraw/zinc/13/95/13/411139513.db2.gz FWEWAVBHXYMKIZ-DOMZBBRYSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000651731992 411139514 /nfs/dbraw/zinc/13/95/14/411139514.db2.gz FWEWAVBHXYMKIZ-DOMZBBRYSA-N 2 2 232.371 2.289 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCCC[C@@H]1C)[NH+](C)C ZINC000651822859 411146052 /nfs/dbraw/zinc/14/60/52/411146052.db2.gz MEVSKIHYVIXUEU-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP FCC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000661689927 411150973 /nfs/dbraw/zinc/15/09/73/411150973.db2.gz HLRUIMYCUDFSHN-CYBMUJFWSA-N 2 2 239.338 2.345 20 0 BEADLP FCC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000661689927 411150974 /nfs/dbraw/zinc/15/09/74/411150974.db2.gz HLRUIMYCUDFSHN-CYBMUJFWSA-N 2 2 239.338 2.345 20 0 BEADLP CCOC1CC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658094611 411243391 /nfs/dbraw/zinc/24/33/91/411243391.db2.gz ZDXNVKAITMCWOY-PNESKVBLSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC1CC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658094611 411243392 /nfs/dbraw/zinc/24/33/92/411243392.db2.gz ZDXNVKAITMCWOY-PNESKVBLSA-N 2 2 240.391 2.016 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096434 411243402 /nfs/dbraw/zinc/24/34/02/411243402.db2.gz POAQRXPJSWKSSW-NEPJUHHUSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096434 411243403 /nfs/dbraw/zinc/24/34/03/411243403.db2.gz POAQRXPJSWKSSW-NEPJUHHUSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000658094727 411243708 /nfs/dbraw/zinc/24/37/08/411243708.db2.gz ALFUULAALSIEQZ-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000658094727 411243710 /nfs/dbraw/zinc/24/37/10/411243710.db2.gz ALFUULAALSIEQZ-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H](C)C[N@H+](C)C(C)C ZINC000656189121 411197709 /nfs/dbraw/zinc/19/77/09/411197709.db2.gz XRAMLGRYFYEHML-LLVKDONJSA-N 2 2 236.363 2.234 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000656189121 411197711 /nfs/dbraw/zinc/19/77/11/411197711.db2.gz XRAMLGRYFYEHML-LLVKDONJSA-N 2 2 236.363 2.234 20 0 BEADLP COc1ccc2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656193379 411198473 /nfs/dbraw/zinc/19/84/73/411198473.db2.gz IULDGFPOBVONEV-HNNXBMFYSA-N 2 2 246.354 2.010 20 0 BEADLP COc1ccc2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656193379 411198474 /nfs/dbraw/zinc/19/84/74/411198474.db2.gz IULDGFPOBVONEV-HNNXBMFYSA-N 2 2 246.354 2.010 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000113701107 411245949 /nfs/dbraw/zinc/24/59/49/411245949.db2.gz BSCLFPFKYGPVTF-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000113701107 411245951 /nfs/dbraw/zinc/24/59/51/411245951.db2.gz BSCLFPFKYGPVTF-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C(F)F ZINC000658035212 411211746 /nfs/dbraw/zinc/21/17/46/411211746.db2.gz MJXHEIMKKDSQMK-VIFPVBQESA-N 2 2 245.317 2.232 20 0 BEADLP CCOC1CCC([NH2+][C@@H]2CC[N@H+](CC)C2)CC1 ZINC000658036793 411212303 /nfs/dbraw/zinc/21/23/03/411212303.db2.gz RKENEYBDEFWMLN-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+][C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000658036793 411212307 /nfs/dbraw/zinc/21/23/07/411212307.db2.gz RKENEYBDEFWMLN-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000655683263 411224142 /nfs/dbraw/zinc/22/41/42/411224142.db2.gz BDCVTSCJGXTLMQ-QWRGUYRKSA-N 2 2 230.421 2.200 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054344 411224347 /nfs/dbraw/zinc/22/43/47/411224347.db2.gz DNYJNNHJQRUNGK-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054344 411224350 /nfs/dbraw/zinc/22/43/50/411224350.db2.gz DNYJNNHJQRUNGK-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000658062936 411229640 /nfs/dbraw/zinc/22/96/40/411229640.db2.gz TVTWFZVYRWBPHG-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000658062936 411229643 /nfs/dbraw/zinc/22/96/43/411229643.db2.gz TVTWFZVYRWBPHG-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000658094704 411241955 /nfs/dbraw/zinc/24/19/55/411241955.db2.gz AKQFNJPRCGYOOC-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000658094704 411241958 /nfs/dbraw/zinc/24/19/58/411241958.db2.gz AKQFNJPRCGYOOC-AVGNSLFASA-N 2 2 240.391 2.016 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC12CCCC2 ZINC000653776857 411166972 /nfs/dbraw/zinc/16/69/72/411166972.db2.gz QPSIYIQBULNXLI-UHFFFAOYSA-N 2 2 233.359 2.371 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCC12CCCC2 ZINC000653776857 411166974 /nfs/dbraw/zinc/16/69/74/411166974.db2.gz QPSIYIQBULNXLI-UHFFFAOYSA-N 2 2 233.359 2.371 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@H+](C)C1CC1 ZINC000655717265 411276581 /nfs/dbraw/zinc/27/65/81/411276581.db2.gz ZKWYJNQSFBEEPA-UTUOFQBUSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@@H+](C)C1CC1 ZINC000655717265 411276583 /nfs/dbraw/zinc/27/65/83/411276583.db2.gz ZKWYJNQSFBEEPA-UTUOFQBUSA-N 2 2 242.432 2.343 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401665728 411276853 /nfs/dbraw/zinc/27/68/53/411276853.db2.gz HJPPTLFOYNRSDR-ONGXEEELSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164652 411277072 /nfs/dbraw/zinc/27/70/72/411277072.db2.gz GBHGFKMSDOJAIC-RKLWJJNISA-N 2 2 244.382 2.255 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164652 411277074 /nfs/dbraw/zinc/27/70/74/411277074.db2.gz GBHGFKMSDOJAIC-RKLWJJNISA-N 2 2 244.382 2.255 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164649 411277297 /nfs/dbraw/zinc/27/72/97/411277297.db2.gz GBHGFKMSDOJAIC-NOXHYTERSA-N 2 2 244.382 2.255 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164649 411277299 /nfs/dbraw/zinc/27/72/99/411277299.db2.gz GBHGFKMSDOJAIC-NOXHYTERSA-N 2 2 244.382 2.255 20 0 BEADLP CO[C@@H]1CCCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000649769739 411295110 /nfs/dbraw/zinc/29/51/10/411295110.db2.gz XRINXRAKOGQRAU-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CCCCO)c[nH+]1 ZINC000355109623 411301647 /nfs/dbraw/zinc/30/16/47/411301647.db2.gz FPRCAXILVARNGL-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CCCCO)c[nH+]1 ZINC000355109623 411301651 /nfs/dbraw/zinc/30/16/51/411301651.db2.gz FPRCAXILVARNGL-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CC2(C)C)C[N@@H+]1C1CC1 ZINC000658309692 411331024 /nfs/dbraw/zinc/33/10/24/411331024.db2.gz XWYHCRDIFSIXFR-JTNHKYCSSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@]2(C)CC2(C)C)C[N@H+]1C1CC1 ZINC000658309692 411331025 /nfs/dbraw/zinc/33/10/25/411331025.db2.gz XWYHCRDIFSIXFR-JTNHKYCSSA-N 2 2 222.376 2.390 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000658283837 411323097 /nfs/dbraw/zinc/32/30/97/411323097.db2.gz DFDDOBPNFGSPSA-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000658283837 411323099 /nfs/dbraw/zinc/32/30/99/411323099.db2.gz DFDDOBPNFGSPSA-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COc1ccccc1/C=C/C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783607 411360979 /nfs/dbraw/zinc/36/09/79/411360979.db2.gz RAWIDXHBCCXOQT-VQHVLOKHSA-N 2 2 248.370 2.378 20 0 BEADLP COc1ccccc1/C=C/C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783607 411360985 /nfs/dbraw/zinc/36/09/85/411360985.db2.gz RAWIDXHBCCXOQT-VQHVLOKHSA-N 2 2 248.370 2.378 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656786371 411366158 /nfs/dbraw/zinc/36/61/58/411366158.db2.gz XZEIDINGNHDUBB-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656786371 411366162 /nfs/dbraw/zinc/36/61/62/411366162.db2.gz XZEIDINGNHDUBB-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccccc2F)CCCC1 ZINC000656788178 411367892 /nfs/dbraw/zinc/36/78/92/411367892.db2.gz GCLFAYPZEMXVDA-UHFFFAOYSA-N 2 2 222.307 2.187 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313264671 411371853 /nfs/dbraw/zinc/37/18/53/411371853.db2.gz NQLRMUNUOOSYSK-LLVKDONJSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000658328048 411335601 /nfs/dbraw/zinc/33/56/01/411335601.db2.gz TWJCLPJULRXLAN-SWLSCSKDSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000658328048 411335606 /nfs/dbraw/zinc/33/56/06/411335606.db2.gz TWJCLPJULRXLAN-SWLSCSKDSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000658328047 411336056 /nfs/dbraw/zinc/33/60/56/411336056.db2.gz TWJCLPJULRXLAN-IUODEOHRSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1ccco1 ZINC000658328047 411336058 /nfs/dbraw/zinc/33/60/58/411336058.db2.gz TWJCLPJULRXLAN-IUODEOHRSA-N 2 2 248.370 2.285 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660584672 411338970 /nfs/dbraw/zinc/33/89/70/411338970.db2.gz UIANEIOMXQZZGU-SNVBAGLBSA-N 2 2 243.301 2.380 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000660584672 411338972 /nfs/dbraw/zinc/33/89/72/411338972.db2.gz UIANEIOMXQZZGU-SNVBAGLBSA-N 2 2 243.301 2.380 20 0 BEADLP C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000653488438 411378131 /nfs/dbraw/zinc/37/81/31/411378131.db2.gz VQDQVEVKRMZXME-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000653488438 411378135 /nfs/dbraw/zinc/37/81/35/411378135.db2.gz VQDQVEVKRMZXME-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(C)=C(C)C1 ZINC000280507071 168084103 /nfs/dbraw/zinc/08/41/03/168084103.db2.gz CQIUYWQUSGEJIK-UHFFFAOYSA-N 2 2 219.332 2.234 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC(C)=C(C)C1 ZINC000280507071 168084106 /nfs/dbraw/zinc/08/41/06/168084106.db2.gz CQIUYWQUSGEJIK-UHFFFAOYSA-N 2 2 219.332 2.234 20 0 BEADLP CC1CC([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000123571134 168145986 /nfs/dbraw/zinc/14/59/86/168145986.db2.gz CWVLQDJCFMCJAW-KGPNIALWSA-N 2 2 204.317 2.075 20 0 BEADLP CC1CCC([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC000049661739 168160141 /nfs/dbraw/zinc/16/01/41/168160141.db2.gz ZYFZMVOWPFMSGA-OTTFEQOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC1CCC([N@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC000049661739 168160144 /nfs/dbraw/zinc/16/01/44/168160144.db2.gz ZYFZMVOWPFMSGA-OTTFEQOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000041041858 168162768 /nfs/dbraw/zinc/16/27/68/168162768.db2.gz AVBYMHRLVUEYSH-UHFFFAOYSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)[C@H]1C ZINC000336649259 168181204 /nfs/dbraw/zinc/18/12/04/168181204.db2.gz DCOLFNSXWQFQQE-HZSPNIEDSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1(C)CC1 ZINC000040771785 168181405 /nfs/dbraw/zinc/18/14/05/168181405.db2.gz FOOXLXDMDUUPJQ-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000040771373 168181429 /nfs/dbraw/zinc/18/14/29/168181429.db2.gz NQUMZQNKSLQBGF-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2cscn2)[C@@H]1CC[NH3+] ZINC000404370234 411392853 /nfs/dbraw/zinc/39/28/53/411392853.db2.gz IQBIRJULGGQYLJ-ZYHUDNBSSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2cscn2)[C@@H]1CC[NH3+] ZINC000404370234 411392854 /nfs/dbraw/zinc/39/28/54/411392854.db2.gz IQBIRJULGGQYLJ-ZYHUDNBSSA-N 2 2 239.388 2.092 20 0 BEADLP CC(C)O[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000404672700 411404320 /nfs/dbraw/zinc/40/43/20/411404320.db2.gz WQYIOOPOUGSSFN-ZDUSSCGKSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)O[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000404672700 411404323 /nfs/dbraw/zinc/40/43/23/411404323.db2.gz WQYIOOPOUGSSFN-ZDUSSCGKSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)O[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000404672698 411404667 /nfs/dbraw/zinc/40/46/67/411404667.db2.gz WQYIOOPOUGSSFN-CYBMUJFWSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)O[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000404672698 411404671 /nfs/dbraw/zinc/40/46/71/411404671.db2.gz WQYIOOPOUGSSFN-CYBMUJFWSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1ccc[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000657317832 411462802 /nfs/dbraw/zinc/46/28/02/411462802.db2.gz ICAOAJSKDWDPJP-UHFFFAOYSA-N 2 2 228.299 2.145 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323794 411463817 /nfs/dbraw/zinc/46/38/17/411463817.db2.gz AGKAEZZMUCJZLN-KBXIAJHMSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323794 411463819 /nfs/dbraw/zinc/46/38/19/411463819.db2.gz AGKAEZZMUCJZLN-KBXIAJHMSA-N 2 2 236.403 2.497 20 0 BEADLP Fc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657291618 411452386 /nfs/dbraw/zinc/45/23/86/411452386.db2.gz UAIZZRYZQRLPTL-UHFFFAOYSA-N 2 2 245.301 2.258 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccnc1 ZINC000657291981 411453528 /nfs/dbraw/zinc/45/35/28/411453528.db2.gz FGYUZKOHMMKUNZ-LLVKDONJSA-N 2 2 242.326 2.075 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347832 411475300 /nfs/dbraw/zinc/47/53/00/411475300.db2.gz GQIUXJHTFIUHML-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347832 411475302 /nfs/dbraw/zinc/47/53/02/411475302.db2.gz GQIUXJHTFIUHML-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350877 411476250 /nfs/dbraw/zinc/47/62/50/411476250.db2.gz GFIUPIBGOZSXTE-ZYHUDNBSSA-N 2 2 219.332 2.108 20 0 BEADLP CC(C)C(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657356567 411477890 /nfs/dbraw/zinc/47/78/90/411477890.db2.gz NUQPYECXDLOZKX-UHFFFAOYSA-N 2 2 221.348 2.354 20 0 BEADLP CC(C)[C@@H](C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369734 411483710 /nfs/dbraw/zinc/48/37/10/411483710.db2.gz CXACSXNWWXTYCI-NSHDSACASA-N 2 2 221.348 2.211 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(F)(F)C2)n1C ZINC000657399388 411494833 /nfs/dbraw/zinc/49/48/33/411494833.db2.gz UNHZVENZGVZNNL-VIFPVBQESA-N 2 2 229.274 2.006 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC3CCC1CC3)CCC2 ZINC000657398847 411495573 /nfs/dbraw/zinc/49/55/73/411495573.db2.gz CZOIKVNGPYLKEQ-ORHYLEIMSA-N 2 2 245.370 2.498 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2CCC2)n1C ZINC000657417295 411501156 /nfs/dbraw/zinc/50/11/56/411501156.db2.gz LSUFHVWEWFOMBZ-VIFPVBQESA-N 2 2 207.321 2.007 20 0 BEADLP C[C@H]1CC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657456893 411514606 /nfs/dbraw/zinc/51/46/06/411514606.db2.gz ASZRRSKKLPQJBX-NWDGAFQWSA-N 2 2 233.359 2.355 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657456895 411515100 /nfs/dbraw/zinc/51/51/00/411515100.db2.gz ASZRRSKKLPQJBX-VXGBXAGGSA-N 2 2 233.359 2.355 20 0 BEADLP C[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657456555 411516423 /nfs/dbraw/zinc/51/64/23/411516423.db2.gz SEGUIOONWFQJQV-NEPJUHHUSA-N 2 2 233.359 2.355 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cc3cnccc3o2)C1 ZINC000655793020 411516460 /nfs/dbraw/zinc/51/64/60/411516460.db2.gz IERCWCDSJADQRA-UHFFFAOYSA-N 2 2 245.326 2.010 20 0 BEADLP c1coc([C@@H]2C[C@H]2[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657496374 411535408 /nfs/dbraw/zinc/53/54/08/411535408.db2.gz OURXKBPATIMQOM-VXGBXAGGSA-N 2 2 243.310 2.068 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000328468965 170012586 /nfs/dbraw/zinc/01/25/86/170012586.db2.gz KKWJNIVLIQGVDG-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000328468965 170012587 /nfs/dbraw/zinc/01/25/87/170012587.db2.gz KKWJNIVLIQGVDG-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000334578397 170014186 /nfs/dbraw/zinc/01/41/86/170014186.db2.gz JFMAIZJKSJPGMS-IAQYHMDHSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000334578397 170014188 /nfs/dbraw/zinc/01/41/88/170014188.db2.gz JFMAIZJKSJPGMS-IAQYHMDHSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655341 170015884 /nfs/dbraw/zinc/01/58/84/170015884.db2.gz AWVBMDNCIAUCGC-SNVBAGLBSA-N 2 2 242.750 2.364 20 0 BEADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655341 170015885 /nfs/dbraw/zinc/01/58/85/170015885.db2.gz AWVBMDNCIAUCGC-SNVBAGLBSA-N 2 2 242.750 2.364 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccncc2)C[C@@H]1C ZINC000353751789 170017608 /nfs/dbraw/zinc/01/76/08/170017608.db2.gz KGCLTBACXINFLE-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccncc2)C[C@@H]1C ZINC000353751789 170017610 /nfs/dbraw/zinc/01/76/10/170017610.db2.gz KGCLTBACXINFLE-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccncc2)C[C@@H]1C ZINC000353751789 170017611 /nfs/dbraw/zinc/01/76/11/170017611.db2.gz KGCLTBACXINFLE-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccncc2)C[C@@H]1C ZINC000353751789 170017613 /nfs/dbraw/zinc/01/76/13/170017613.db2.gz KGCLTBACXINFLE-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462312 170018541 /nfs/dbraw/zinc/01/85/41/170018541.db2.gz BVHVSPQNJOSHFL-HIFRSBDPSA-N 2 2 247.386 2.244 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462312 170018542 /nfs/dbraw/zinc/01/85/42/170018542.db2.gz BVHVSPQNJOSHFL-HIFRSBDPSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462312 170018543 /nfs/dbraw/zinc/01/85/43/170018543.db2.gz BVHVSPQNJOSHFL-HIFRSBDPSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccn2)[C@H](C)C1 ZINC000079462312 170018544 /nfs/dbraw/zinc/01/85/44/170018544.db2.gz BVHVSPQNJOSHFL-HIFRSBDPSA-N 2 2 247.386 2.244 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000336904778 170021883 /nfs/dbraw/zinc/02/18/83/170021883.db2.gz WIDKTLYOQIXPOA-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000336904778 170021885 /nfs/dbraw/zinc/02/18/85/170021885.db2.gz WIDKTLYOQIXPOA-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000328465069 170022873 /nfs/dbraw/zinc/02/28/73/170022873.db2.gz IYDJSBOIJRKQIA-STQMWFEESA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000328465069 170022875 /nfs/dbraw/zinc/02/28/75/170022875.db2.gz IYDJSBOIJRKQIA-STQMWFEESA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccn1C ZINC000091892993 170023772 /nfs/dbraw/zinc/02/37/72/170023772.db2.gz YTWODEIFYMNYNL-HIFRSBDPSA-N 2 2 247.386 2.084 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccn1C ZINC000091892993 170023773 /nfs/dbraw/zinc/02/37/73/170023773.db2.gz YTWODEIFYMNYNL-HIFRSBDPSA-N 2 2 247.386 2.084 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccn1C ZINC000091892993 170023775 /nfs/dbraw/zinc/02/37/75/170023775.db2.gz YTWODEIFYMNYNL-HIFRSBDPSA-N 2 2 247.386 2.084 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccn1C ZINC000091892993 170023777 /nfs/dbraw/zinc/02/37/77/170023777.db2.gz YTWODEIFYMNYNL-HIFRSBDPSA-N 2 2 247.386 2.084 20 0 BEADLP CC(C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655856664 411539619 /nfs/dbraw/zinc/53/96/19/411539619.db2.gz QBAOOLMNQRXIBI-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655856664 411539625 /nfs/dbraw/zinc/53/96/25/411539625.db2.gz QBAOOLMNQRXIBI-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC000336744976 170031589 /nfs/dbraw/zinc/03/15/89/170031589.db2.gz ABPHBZRUYRRUHD-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC000336744976 170031590 /nfs/dbraw/zinc/03/15/90/170031590.db2.gz ABPHBZRUYRRUHD-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cscc2C)C1 ZINC000309648242 170032117 /nfs/dbraw/zinc/03/21/17/170032117.db2.gz NBDAJQINQUBLGW-ZWNOBZJWSA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cscc2C)C1 ZINC000309648242 170032118 /nfs/dbraw/zinc/03/21/18/170032118.db2.gz NBDAJQINQUBLGW-ZWNOBZJWSA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCCCCSC)[C@@H](C)C1 ZINC000336776054 170034528 /nfs/dbraw/zinc/03/45/28/170034528.db2.gz DOCLVNIPELEXCL-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000655858462 411540281 /nfs/dbraw/zinc/54/02/81/411540281.db2.gz ZVNIANKBHZCXGJ-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000655858462 411540283 /nfs/dbraw/zinc/54/02/83/411540283.db2.gz ZVNIANKBHZCXGJ-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC000309678124 170037278 /nfs/dbraw/zinc/03/72/78/170037278.db2.gz YMBATAXDOBFODO-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC000309678124 170037280 /nfs/dbraw/zinc/03/72/80/170037280.db2.gz YMBATAXDOBFODO-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000336782591 170037854 /nfs/dbraw/zinc/03/78/54/170037854.db2.gz YDCFSQBHCHZUSN-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000336782591 170037855 /nfs/dbraw/zinc/03/78/55/170037855.db2.gz YDCFSQBHCHZUSN-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000309976826 170038144 /nfs/dbraw/zinc/03/81/44/170038144.db2.gz UAZFBWHXLWEFSU-LPEHRKFASA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(F)(F)F)C1 ZINC000309976826 170038146 /nfs/dbraw/zinc/03/81/46/170038146.db2.gz UAZFBWHXLWEFSU-LPEHRKFASA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccsc2)C1 ZINC000336778781 170038386 /nfs/dbraw/zinc/03/83/86/170038386.db2.gz MIGQMSORBUHCAQ-WCQYABFASA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccsc2)C1 ZINC000336778781 170038388 /nfs/dbraw/zinc/03/83/88/170038388.db2.gz MIGQMSORBUHCAQ-WCQYABFASA-N 2 2 238.400 2.220 20 0 BEADLP CC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524211 411540589 /nfs/dbraw/zinc/54/05/89/411540589.db2.gz JKNDDXUANPMHKJ-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524211 411540590 /nfs/dbraw/zinc/54/05/90/411540590.db2.gz JKNDDXUANPMHKJ-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccccc2C)C1 ZINC000358284354 170039151 /nfs/dbraw/zinc/03/91/51/170039151.db2.gz HMSNOXYURLHBPW-GOEBONIOSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccccc2C)C1 ZINC000358284354 170039152 /nfs/dbraw/zinc/03/91/52/170039152.db2.gz HMSNOXYURLHBPW-GOEBONIOSA-N 2 2 246.398 2.467 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000657527728 411541605 /nfs/dbraw/zinc/54/16/05/411541605.db2.gz YEDPXONFTAVYBK-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000657527728 411541607 /nfs/dbraw/zinc/54/16/07/411541607.db2.gz YEDPXONFTAVYBK-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000657527725 411541755 /nfs/dbraw/zinc/54/17/55/411541755.db2.gz YEDPXONFTAVYBK-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000657527725 411541756 /nfs/dbraw/zinc/54/17/56/411541756.db2.gz YEDPXONFTAVYBK-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000660127626 411542273 /nfs/dbraw/zinc/54/22/73/411542273.db2.gz DAZDGYFBDNEGOL-ZDUSSCGKSA-N 2 2 231.343 2.176 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000660127626 411542275 /nfs/dbraw/zinc/54/22/75/411542275.db2.gz DAZDGYFBDNEGOL-ZDUSSCGKSA-N 2 2 231.343 2.176 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CO1 ZINC000657526647 411542656 /nfs/dbraw/zinc/54/26/56/411542656.db2.gz KCVISXQZAUPRNA-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CO1 ZINC000657526647 411542657 /nfs/dbraw/zinc/54/26/57/411542657.db2.gz KCVISXQZAUPRNA-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccncc1 ZINC000657525205 411542967 /nfs/dbraw/zinc/54/29/67/411542967.db2.gz VKRDRXKBRJQZJI-ZDUSSCGKSA-N 2 2 233.359 2.044 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccncc1 ZINC000657525205 411542969 /nfs/dbraw/zinc/54/29/69/411542969.db2.gz VKRDRXKBRJQZJI-ZDUSSCGKSA-N 2 2 233.359 2.044 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526691 411543053 /nfs/dbraw/zinc/54/30/53/411543053.db2.gz LIUSPWDFHNAJKD-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526691 411543055 /nfs/dbraw/zinc/54/30/55/411543055.db2.gz LIUSPWDFHNAJKD-CQSZACIVSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)CC(F)F)n1C ZINC000657498708 411535942 /nfs/dbraw/zinc/53/59/42/411535942.db2.gz XOCODUIUVPYWOJ-QMMMGPOBSA-N 2 2 231.290 2.109 20 0 BEADLP COCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850837 411536765 /nfs/dbraw/zinc/53/67/65/411536765.db2.gz ZFZRLVHAIJFWHZ-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850837 411536767 /nfs/dbraw/zinc/53/67/67/411536767.db2.gz ZFZRLVHAIJFWHZ-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP C1C[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000655848671 411536825 /nfs/dbraw/zinc/53/68/25/411536825.db2.gz JPUMOXDINRNAFW-AGIUHOORSA-N 2 2 240.416 2.098 20 0 BEADLP C1C[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CS1 ZINC000655848671 411536826 /nfs/dbraw/zinc/53/68/26/411536826.db2.gz JPUMOXDINRNAFW-AGIUHOORSA-N 2 2 240.416 2.098 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000655849046 411536905 /nfs/dbraw/zinc/53/69/05/411536905.db2.gz LZHZSRUAJDGQFS-IACUBPJLSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000655849046 411536906 /nfs/dbraw/zinc/53/69/06/411536906.db2.gz LZHZSRUAJDGQFS-IACUBPJLSA-N 2 2 222.376 2.391 20 0 BEADLP CC[NH2+]CCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000038043422 170113031 /nfs/dbraw/zinc/11/30/31/170113031.db2.gz YSDMIEDFZBKILC-UHFFFAOYSA-N 2 2 236.363 2.320 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000228715020 170115282 /nfs/dbraw/zinc/11/52/82/170115282.db2.gz SKLLHAMWNOKMEX-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564221 411552197 /nfs/dbraw/zinc/55/21/97/411552197.db2.gz XBSFXACEOSZFQZ-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564221 411552198 /nfs/dbraw/zinc/55/21/98/411552198.db2.gz XBSFXACEOSZFQZ-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000657564213 411552220 /nfs/dbraw/zinc/55/22/20/411552220.db2.gz WTTBUMLWXDORMR-GFCCVEGCSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000657564213 411552221 /nfs/dbraw/zinc/55/22/21/411552221.db2.gz WTTBUMLWXDORMR-GFCCVEGCSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563793 411552394 /nfs/dbraw/zinc/55/23/94/411552394.db2.gz RDBRCTBDHRMZQK-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000657563793 411552395 /nfs/dbraw/zinc/55/23/95/411552395.db2.gz RDBRCTBDHRMZQK-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000086059468 170131080 /nfs/dbraw/zinc/13/10/80/170131080.db2.gz YQQAVSOXUOMUAK-UHFFFAOYSA-N 2 2 215.300 2.290 20 0 BEADLP CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289474226 170151275 /nfs/dbraw/zinc/15/12/75/170151275.db2.gz XINCUIPPVGOFBS-CHWSQXEVSA-N 2 2 204.317 2.041 20 0 BEADLP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289474226 170151277 /nfs/dbraw/zinc/15/12/77/170151277.db2.gz XINCUIPPVGOFBS-CHWSQXEVSA-N 2 2 204.317 2.041 20 0 BEADLP CCOC(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000186535833 170312795 /nfs/dbraw/zinc/31/27/95/170312795.db2.gz KYINOZKCLVJWHU-UHFFFAOYSA-N 2 2 247.342 2.239 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@@H+]1C1CC1 ZINC000657644926 411568651 /nfs/dbraw/zinc/56/86/51/411568651.db2.gz HGVMMHXXRBWNJM-GHMZBOCLSA-N 2 2 228.355 2.339 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@H+]1C1CC1 ZINC000657644926 411568653 /nfs/dbraw/zinc/56/86/53/411568653.db2.gz HGVMMHXXRBWNJM-GHMZBOCLSA-N 2 2 228.355 2.339 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@@H+]1C1CC1 ZINC000657644932 411568694 /nfs/dbraw/zinc/56/86/94/411568694.db2.gz HGVMMHXXRBWNJM-WDEREUQCSA-N 2 2 228.355 2.339 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)F)C[N@H+]1C1CC1 ZINC000657644932 411568696 /nfs/dbraw/zinc/56/86/96/411568696.db2.gz HGVMMHXXRBWNJM-WDEREUQCSA-N 2 2 228.355 2.339 20 0 BEADLP CCOCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336716392 170371887 /nfs/dbraw/zinc/37/18/87/170371887.db2.gz WKUOHVYYEZMBTK-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP CCOCC[N@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000179876916 170396498 /nfs/dbraw/zinc/39/64/98/170396498.db2.gz ATSOXLHHXNONNY-UHFFFAOYSA-N 2 2 247.342 2.193 20 0 BEADLP CCOCC[N@@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000179876916 170396500 /nfs/dbraw/zinc/39/65/00/170396500.db2.gz ATSOXLHHXNONNY-UHFFFAOYSA-N 2 2 247.342 2.193 20 0 BEADLP CC[C@@](C)([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657686293 411578783 /nfs/dbraw/zinc/57/87/83/411578783.db2.gz ADOHDFQYQYGPIB-CQSZACIVSA-N 2 2 233.359 2.498 20 0 BEADLP CC([NH2+]Cc1c[nH+]c2n1CCC2)(C1CC1)C1CC1 ZINC000657755209 411590313 /nfs/dbraw/zinc/59/03/13/411590313.db2.gz HOGZAUOUNBXNON-UHFFFAOYSA-N 2 2 245.370 2.498 20 0 BEADLP CCOc1ccc(NCc2c[nH+]cn2C)[nH+]c1C ZINC000657793515 411598485 /nfs/dbraw/zinc/59/84/85/411598485.db2.gz XEFQQRYDMXRIQW-UHFFFAOYSA-N 2 2 246.314 2.134 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657818396 411606075 /nfs/dbraw/zinc/60/60/75/411606075.db2.gz ARGOENNFIPIORP-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657818396 411606076 /nfs/dbraw/zinc/60/60/76/411606076.db2.gz ARGOENNFIPIORP-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C(F)F ZINC000657822227 411607203 /nfs/dbraw/zinc/60/72/03/411607203.db2.gz YJEWTWDCXNMWBZ-VIFPVBQESA-N 2 2 231.290 2.153 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000657875570 411615479 /nfs/dbraw/zinc/61/54/79/411615479.db2.gz GXLYEHCFNJAVJF-KBPBESRZSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000657875570 411615481 /nfs/dbraw/zinc/61/54/81/411615481.db2.gz GXLYEHCFNJAVJF-KBPBESRZSA-N 2 2 234.387 2.393 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCCC1CCC1 ZINC000660762839 411622337 /nfs/dbraw/zinc/62/23/37/411622337.db2.gz CODPPALWIZKTHL-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000086727087 487536696 /nfs/dbraw/zinc/53/66/96/487536696.db2.gz DSEYCUBIIDKSFA-HTQZYQBOSA-N 2 2 230.764 2.414 20 0 BEADLP c1c2ccccc2oc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501555 411685654 /nfs/dbraw/zinc/68/56/54/411685654.db2.gz JBLDTOXZMJCFHA-UHFFFAOYSA-N 2 2 242.322 2.274 20 0 BEADLP Clc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663502534 411686117 /nfs/dbraw/zinc/68/61/17/411686117.db2.gz UOZMMOSZVKHRNP-UHFFFAOYSA-N 2 2 236.746 2.182 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000663508111 411689333 /nfs/dbraw/zinc/68/93/33/411689333.db2.gz JFLLTQAYHMAOPP-JTQLQIEISA-N 2 2 247.317 2.071 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1C ZINC000663506956 411690962 /nfs/dbraw/zinc/69/09/62/411690962.db2.gz PQMYDHHEIFFFBC-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1C ZINC000663506956 411690967 /nfs/dbraw/zinc/69/09/67/411690967.db2.gz PQMYDHHEIFFFBC-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000663511166 411691896 /nfs/dbraw/zinc/69/18/96/411691896.db2.gz VSXMVXCPOCLQIP-LLVKDONJSA-N 2 2 248.370 2.098 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000420937498 411771562 /nfs/dbraw/zinc/77/15/62/411771562.db2.gz NUCJXSNUMRKFCT-FRRDWIJNSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000420937498 411771565 /nfs/dbraw/zinc/77/15/65/411771565.db2.gz NUCJXSNUMRKFCT-FRRDWIJNSA-N 2 2 249.358 2.157 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664173833 411879965 /nfs/dbraw/zinc/87/99/65/411879965.db2.gz HKFYAPKQOQJMAM-LLVKDONJSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664173833 411879969 /nfs/dbraw/zinc/87/99/69/411879969.db2.gz HKFYAPKQOQJMAM-LLVKDONJSA-N 2 2 234.347 2.070 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662045507 411963619 /nfs/dbraw/zinc/96/36/19/411963619.db2.gz YAVPSVQUQHHSJL-CQSZACIVSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662045507 411963626 /nfs/dbraw/zinc/96/36/26/411963626.db2.gz YAVPSVQUQHHSJL-CQSZACIVSA-N 2 2 247.386 2.475 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662241871 412036480 /nfs/dbraw/zinc/03/64/80/412036480.db2.gz XZSFSNFJANKKBK-HUUCEWRRSA-N 2 2 244.382 2.400 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662241871 412036482 /nfs/dbraw/zinc/03/64/82/412036482.db2.gz XZSFSNFJANKKBK-HUUCEWRRSA-N 2 2 244.382 2.400 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662241869 412037155 /nfs/dbraw/zinc/03/71/55/412037155.db2.gz XZSFSNFJANKKBK-CABCVRRESA-N 2 2 244.382 2.400 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662241869 412037159 /nfs/dbraw/zinc/03/71/59/412037159.db2.gz XZSFSNFJANKKBK-CABCVRRESA-N 2 2 244.382 2.400 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000310033064 171043452 /nfs/dbraw/zinc/04/34/52/171043452.db2.gz RTTUDAHXSURNJV-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000336737502 171044354 /nfs/dbraw/zinc/04/43/54/171044354.db2.gz QEVDUCXLNCQWKU-TUAOUCFPSA-N 2 2 207.321 2.050 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000336737500 171059375 /nfs/dbraw/zinc/05/93/75/171059375.db2.gz QEVDUCXLNCQWKU-QJPTWQEYSA-N 2 2 207.321 2.050 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336737498 171060289 /nfs/dbraw/zinc/06/02/89/171060289.db2.gz QEVDUCXLNCQWKU-IJLUTSLNSA-N 2 2 207.321 2.050 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000185632816 171156268 /nfs/dbraw/zinc/15/62/68/171156268.db2.gz OYUPROJFPIFWDV-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000185632816 171156271 /nfs/dbraw/zinc/15/62/71/171156271.db2.gz OYUPROJFPIFWDV-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+]CC[NH+](C)C ZINC000019266311 171299618 /nfs/dbraw/zinc/29/96/18/171299618.db2.gz VSOZEDLIDKKJEG-RYUDHWBXSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181118589 171317517 /nfs/dbraw/zinc/31/75/17/171317517.db2.gz DMPFIRUWHXDEOT-NSHDSACASA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000268694445 171339102 /nfs/dbraw/zinc/33/91/02/171339102.db2.gz AYVIMVKUNPJCDH-ZDUSSCGKSA-N 2 2 247.386 2.434 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596130 171341768 /nfs/dbraw/zinc/34/17/68/171341768.db2.gz GVTIUMJOVLXYBR-SMDDNHRTSA-N 2 2 218.344 2.262 20 0 BEADLP CC[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151521792 171343920 /nfs/dbraw/zinc/34/39/20/171343920.db2.gz MWIHARZCBGTMNE-NSHDSACASA-N 2 2 230.315 2.155 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336743981 171390442 /nfs/dbraw/zinc/39/04/42/171390442.db2.gz YRMQKPGTLTVFQU-WUHRBBMRSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336743981 171390443 /nfs/dbraw/zinc/39/04/43/171390443.db2.gz YRMQKPGTLTVFQU-WUHRBBMRSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336743978 171390959 /nfs/dbraw/zinc/39/09/59/171390959.db2.gz YRMQKPGTLTVFQU-RVMXOQNASA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336743978 171390961 /nfs/dbraw/zinc/39/09/61/171390961.db2.gz YRMQKPGTLTVFQU-RVMXOQNASA-N 2 2 212.381 2.493 20 0 BEADLP COc1cccc([C@]2(C)CC[N@H+](C[C@@H](C)[NH3+])C2)c1 ZINC000662311284 412094256 /nfs/dbraw/zinc/09/42/56/412094256.db2.gz RNYIXUWPMXPVTO-IUODEOHRSA-N 2 2 248.370 2.006 20 0 BEADLP COc1cccc([C@]2(C)CC[N@@H+](C[C@@H](C)[NH3+])C2)c1 ZINC000662311284 412094260 /nfs/dbraw/zinc/09/42/60/412094260.db2.gz RNYIXUWPMXPVTO-IUODEOHRSA-N 2 2 248.370 2.006 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662318620 412097751 /nfs/dbraw/zinc/09/77/51/412097751.db2.gz CNXATMOGJQTMEH-AAEUAGOBSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662318620 412097755 /nfs/dbraw/zinc/09/77/55/412097755.db2.gz CNXATMOGJQTMEH-AAEUAGOBSA-N 2 2 210.365 2.378 20 0 BEADLP CCC[N@@H+](Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000662317398 412099033 /nfs/dbraw/zinc/09/90/33/412099033.db2.gz XTVYZVJGHLIFHR-LLVKDONJSA-N 2 2 224.323 2.385 20 0 BEADLP CCC[N@H+](Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000662317398 412099037 /nfs/dbraw/zinc/09/90/37/412099037.db2.gz XTVYZVJGHLIFHR-LLVKDONJSA-N 2 2 224.323 2.385 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cscn1 ZINC000665247854 412192120 /nfs/dbraw/zinc/19/21/20/412192120.db2.gz KVWNSDDYAXADEB-SECBINFHSA-N 2 2 225.361 2.065 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c(C)n1 ZINC000665249085 412195395 /nfs/dbraw/zinc/19/53/95/412195395.db2.gz JJVJYPDNDVXQLI-JTQLQIEISA-N 2 2 248.374 2.016 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cncs1 ZINC000665249475 412195530 /nfs/dbraw/zinc/19/55/30/412195530.db2.gz RCTPJLSJPXAMNR-SECBINFHSA-N 2 2 225.361 2.065 20 0 BEADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000665276704 412219995 /nfs/dbraw/zinc/21/99/95/412219995.db2.gz KQSDSHFHFPXRFG-BMQDGWLCSA-N 2 2 222.357 2.151 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cscn1 ZINC000665281086 412220003 /nfs/dbraw/zinc/22/00/03/412220003.db2.gz UESUFTCZRDTSLR-NXEZZACHSA-N 2 2 227.377 2.167 20 0 BEADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665277118 412220361 /nfs/dbraw/zinc/22/03/61/412220361.db2.gz UGOVRPYEOKSVFM-GRZMOONWSA-N 2 2 222.357 2.151 20 0 BEADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665277111 412221758 /nfs/dbraw/zinc/22/17/58/412221758.db2.gz UCYHTIRJZIXSTF-LKSINWNRSA-N 2 2 216.328 2.089 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000665294389 412237584 /nfs/dbraw/zinc/23/75/84/412237584.db2.gz NQTGSBSSHOJIRE-RYUDHWBXSA-N 2 2 232.371 2.434 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000665294372 412238470 /nfs/dbraw/zinc/23/84/70/412238470.db2.gz NNKGHXIYKQDIPT-NWDGAFQWSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000665293701 412238750 /nfs/dbraw/zinc/23/87/50/412238750.db2.gz BDKDZYILQNXQSO-UWVGGRQHSA-N 2 2 240.322 2.093 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(F)cc1 ZINC000665293698 412238831 /nfs/dbraw/zinc/23/88/31/412238831.db2.gz BABAAFNNFIWNQI-ZWNOBZJWSA-N 2 2 224.323 2.474 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)s1 ZINC000665293787 412239036 /nfs/dbraw/zinc/23/90/36/412239036.db2.gz CVUTZBJROMQARJ-WCBMZHEXSA-N 2 2 212.362 2.315 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665293864 412239395 /nfs/dbraw/zinc/23/93/95/412239395.db2.gz DRMAKPNFXSOJJU-NEPJUHHUSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000665294617 412240832 /nfs/dbraw/zinc/24/08/32/412240832.db2.gz SAYNLSWPLBPJSS-BDAKNGLRSA-N 2 2 228.286 2.223 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000070073186 171795176 /nfs/dbraw/zinc/79/51/76/171795176.db2.gz CXTVPMAXKQXENI-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000070073186 171795178 /nfs/dbraw/zinc/79/51/78/171795178.db2.gz CXTVPMAXKQXENI-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335309656 171879813 /nfs/dbraw/zinc/87/98/13/171879813.db2.gz YPWNSIYIEWLFJL-HIFRSBDPSA-N 2 2 230.355 2.043 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335309656 171879815 /nfs/dbraw/zinc/87/98/15/171879815.db2.gz YPWNSIYIEWLFJL-HIFRSBDPSA-N 2 2 230.355 2.043 20 0 BEADLP CCc1ncc(C[NH2+][C@H](C)CC[NH+](C)C)s1 ZINC000049554429 172020621 /nfs/dbraw/zinc/02/06/21/172020621.db2.gz BZAWWXMSMMGXQX-SNVBAGLBSA-N 2 2 241.404 2.135 20 0 BEADLP CCc1nocc1C[N@H+](CC)CCC[NH+](C)C ZINC000353520669 172094466 /nfs/dbraw/zinc/09/44/66/172094466.db2.gz OMYZUMJTHLADJP-UHFFFAOYSA-N 2 2 239.363 2.011 20 0 BEADLP CCc1nocc1C[N@@H+](CC)CCC[NH+](C)C ZINC000353520669 172094471 /nfs/dbraw/zinc/09/44/71/172094471.db2.gz OMYZUMJTHLADJP-UHFFFAOYSA-N 2 2 239.363 2.011 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000035010286 172396515 /nfs/dbraw/zinc/39/65/15/172396515.db2.gz OAOUUGILWXFBNX-HNNXBMFYSA-N 2 2 246.398 2.474 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000221525454 487625515 /nfs/dbraw/zinc/62/55/15/487625515.db2.gz DCUGBGHBZKSIMT-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000221525454 487625517 /nfs/dbraw/zinc/62/55/17/487625517.db2.gz DCUGBGHBZKSIMT-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[N@@H+]1CCCC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000044563030 173009125 /nfs/dbraw/zinc/00/91/25/173009125.db2.gz CPASIMSAZABCOG-NSHDSACASA-N 2 2 244.342 2.459 20 0 BEADLP C[N@H+]1CCCC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000044563030 173009127 /nfs/dbraw/zinc/00/91/27/173009127.db2.gz CPASIMSAZABCOG-NSHDSACASA-N 2 2 244.342 2.459 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000040671788 173020715 /nfs/dbraw/zinc/02/07/15/173020715.db2.gz NYLVQMULNMSLSH-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000040671788 173020716 /nfs/dbraw/zinc/02/07/16/173020716.db2.gz NYLVQMULNMSLSH-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000227744202 173031740 /nfs/dbraw/zinc/03/17/40/173031740.db2.gz ZNRXSRYAGMLBTE-FUVBFXSKSA-N 2 2 230.355 2.384 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000227744202 173031742 /nfs/dbraw/zinc/03/17/42/173031742.db2.gz ZNRXSRYAGMLBTE-FUVBFXSKSA-N 2 2 230.355 2.384 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000221159287 173034227 /nfs/dbraw/zinc/03/42/27/173034227.db2.gz DLMKOBZOXXRKRV-LLVKDONJSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000221159287 173034229 /nfs/dbraw/zinc/03/42/29/173034229.db2.gz DLMKOBZOXXRKRV-LLVKDONJSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000040671694 173046759 /nfs/dbraw/zinc/04/67/59/173046759.db2.gz WSZKUVYKYFACGO-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000040671694 173046761 /nfs/dbraw/zinc/04/67/61/173046761.db2.gz WSZKUVYKYFACGO-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000163686844 173056346 /nfs/dbraw/zinc/05/63/46/173056346.db2.gz BLOKKIOEFRMTDS-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000163686844 173056348 /nfs/dbraw/zinc/05/63/48/173056348.db2.gz BLOKKIOEFRMTDS-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000042545501 173123521 /nfs/dbraw/zinc/12/35/21/173123521.db2.gz FZTQCACBPDGBCF-SHARSMKWSA-N 2 2 230.355 2.226 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000042545501 173123524 /nfs/dbraw/zinc/12/35/24/173123524.db2.gz FZTQCACBPDGBCF-SHARSMKWSA-N 2 2 230.355 2.226 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706351 173133845 /nfs/dbraw/zinc/13/38/45/173133845.db2.gz ZTCAWLVMQZNSNR-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706351 173133850 /nfs/dbraw/zinc/13/38/50/173133850.db2.gz ZTCAWLVMQZNSNR-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706351 173133853 /nfs/dbraw/zinc/13/38/53/173133853.db2.gz ZTCAWLVMQZNSNR-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706351 173133855 /nfs/dbraw/zinc/13/38/55/173133855.db2.gz ZTCAWLVMQZNSNR-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000042543757 173151490 /nfs/dbraw/zinc/15/14/90/173151490.db2.gz BURUZAIBZZOWNP-LBPRGKRZSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000042543757 173151493 /nfs/dbraw/zinc/15/14/93/173151493.db2.gz BURUZAIBZZOWNP-LBPRGKRZSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCF)C[C@@H]1c1ccccc1 ZINC000340379738 173151501 /nfs/dbraw/zinc/15/15/01/173151501.db2.gz STYZMLFLNPMCLX-UONOGXRCSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCF)C[C@@H]1c1ccccc1 ZINC000340379738 173151503 /nfs/dbraw/zinc/15/15/03/173151503.db2.gz STYZMLFLNPMCLX-UONOGXRCSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683217 173154163 /nfs/dbraw/zinc/15/41/63/173154163.db2.gz KGMMVMIZJBCJGF-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683217 173154165 /nfs/dbraw/zinc/15/41/65/173154165.db2.gz KGMMVMIZJBCJGF-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000272642059 173159648 /nfs/dbraw/zinc/15/96/48/173159648.db2.gz OLQWMUKCNNTMAV-LSDHHAIUSA-N 2 2 230.355 2.213 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000272642059 173159650 /nfs/dbraw/zinc/15/96/50/173159650.db2.gz OLQWMUKCNNTMAV-LSDHHAIUSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000272642059 173159652 /nfs/dbraw/zinc/15/96/52/173159652.db2.gz OLQWMUKCNNTMAV-LSDHHAIUSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000272642059 173159656 /nfs/dbraw/zinc/15/96/56/173159656.db2.gz OLQWMUKCNNTMAV-LSDHHAIUSA-N 2 2 230.355 2.213 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccs3)[C@@H]2C1 ZINC000272676211 173159696 /nfs/dbraw/zinc/15/96/96/173159696.db2.gz UROFWSQXTXZQRZ-WCQYABFASA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccs3)[C@@H]2C1 ZINC000272676211 173159699 /nfs/dbraw/zinc/15/96/99/173159699.db2.gz UROFWSQXTXZQRZ-WCQYABFASA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccs3)[C@@H]2C1 ZINC000272676211 173159700 /nfs/dbraw/zinc/15/97/00/173159700.db2.gz UROFWSQXTXZQRZ-WCQYABFASA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccs3)[C@@H]2C1 ZINC000272676211 173159703 /nfs/dbraw/zinc/15/97/03/173159703.db2.gz UROFWSQXTXZQRZ-WCQYABFASA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469155 173160124 /nfs/dbraw/zinc/16/01/24/173160124.db2.gz YPKJFFMAHKIXID-SWLSCSKDSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469155 173160128 /nfs/dbraw/zinc/16/01/28/173160128.db2.gz YPKJFFMAHKIXID-SWLSCSKDSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469155 173160130 /nfs/dbraw/zinc/16/01/30/173160130.db2.gz YPKJFFMAHKIXID-SWLSCSKDSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469155 173160131 /nfs/dbraw/zinc/16/01/31/173160131.db2.gz YPKJFFMAHKIXID-SWLSCSKDSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000039289705 173356028 /nfs/dbraw/zinc/35/60/28/173356028.db2.gz OFEKQKWJDWPJMC-UHFFFAOYSA-N 2 2 220.360 2.293 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000053033098 173371097 /nfs/dbraw/zinc/37/10/97/173371097.db2.gz IWYNKEBTOFYHHN-NSHDSACASA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000053033098 173371099 /nfs/dbraw/zinc/37/10/99/173371099.db2.gz IWYNKEBTOFYHHN-NSHDSACASA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000053703867 173380851 /nfs/dbraw/zinc/38/08/51/173380851.db2.gz YHNQTPNPJUJCHC-GFCCVEGCSA-N 2 2 248.374 2.097 20 0 BEADLP COC1(C[NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCCC1 ZINC000319944904 174002447 /nfs/dbraw/zinc/00/24/47/174002447.db2.gz USMBTCBFQRYHOZ-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCCC1 ZINC000319944904 174002451 /nfs/dbraw/zinc/00/24/51/174002451.db2.gz USMBTCBFQRYHOZ-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP COCC1([NH2+]CCCc2c[nH+]ccc2C)CCC1 ZINC000289099506 174109437 /nfs/dbraw/zinc/10/94/37/174109437.db2.gz BZXWWZFWMFDGBW-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP COCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209643 174190511 /nfs/dbraw/zinc/19/05/11/174190511.db2.gz QSVYAGCZQXHAON-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP COCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363300964 174191469 /nfs/dbraw/zinc/19/14/69/174191469.db2.gz AYUKLHMJCBTBSA-GFCCVEGCSA-N 2 2 237.347 2.016 20 0 BEADLP COCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363300964 174191472 /nfs/dbraw/zinc/19/14/72/174191472.db2.gz AYUKLHMJCBTBSA-GFCCVEGCSA-N 2 2 237.347 2.016 20 0 BEADLP COCCC[N@H+](C)CC[NH2+]C1CCCCCC1 ZINC000062036831 174216268 /nfs/dbraw/zinc/21/62/68/174216268.db2.gz GJUGQNODUISXSZ-UHFFFAOYSA-N 2 2 242.407 2.267 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+]C1CCCCCC1 ZINC000062036831 174216269 /nfs/dbraw/zinc/21/62/69/174216269.db2.gz GJUGQNODUISXSZ-UHFFFAOYSA-N 2 2 242.407 2.267 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000062036995 174216648 /nfs/dbraw/zinc/21/66/48/174216648.db2.gz OUGUCLKOOBFALA-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000062036995 174216649 /nfs/dbraw/zinc/21/66/49/174216649.db2.gz OUGUCLKOOBFALA-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284321509 174250166 /nfs/dbraw/zinc/25/01/66/174250166.db2.gz PTCFJZUASDRSFS-HUUCEWRRSA-N 2 2 248.370 2.058 20 0 BEADLP COCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284321509 174250168 /nfs/dbraw/zinc/25/01/68/174250168.db2.gz PTCFJZUASDRSFS-HUUCEWRRSA-N 2 2 248.370 2.058 20 0 BEADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000337387142 174397561 /nfs/dbraw/zinc/39/75/61/174397561.db2.gz IKSQIMOABMDTBV-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000337387142 174397562 /nfs/dbraw/zinc/39/75/62/174397562.db2.gz IKSQIMOABMDTBV-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000354337920 174731756 /nfs/dbraw/zinc/73/17/56/174731756.db2.gz CQVFTULIUQKBLC-HNNXBMFYSA-N 2 2 248.370 2.337 20 0 BEADLP COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044558267 175075337 /nfs/dbraw/zinc/07/53/37/175075337.db2.gz RUPILWKNARKHRQ-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C)cc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044558267 175075339 /nfs/dbraw/zinc/07/53/39/175075339.db2.gz RUPILWKNARKHRQ-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274837 175110654 /nfs/dbraw/zinc/11/06/54/175110654.db2.gz CYTWZLKOQVINAI-GFCCVEGCSA-N 2 2 245.326 2.070 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234951920 175176785 /nfs/dbraw/zinc/17/67/85/175176785.db2.gz RGKRJGKXWIGCKH-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119128 175188711 /nfs/dbraw/zinc/18/87/11/175188711.db2.gz QOOAYDLNIMUFDI-LBPRGKRZSA-N 2 2 245.326 2.243 20 0 BEADLP COc1ccc2cc(C[N@H+](C)CC[NH3+])ccc2c1 ZINC000054416861 175224555 /nfs/dbraw/zinc/22/45/55/175224555.db2.gz RNPSWQSUBFITAJ-UHFFFAOYSA-N 2 2 244.338 2.239 20 0 BEADLP COc1ccc2cc(C[N@@H+](C)CC[NH3+])ccc2c1 ZINC000054416861 175224557 /nfs/dbraw/zinc/22/45/57/175224557.db2.gz RNPSWQSUBFITAJ-UHFFFAOYSA-N 2 2 244.338 2.239 20 0 BEADLP COc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000261551961 175260226 /nfs/dbraw/zinc/26/02/26/175260226.db2.gz ZFGDCWQLGNSFSP-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000261551961 175260227 /nfs/dbraw/zinc/26/02/27/175260227.db2.gz ZFGDCWQLGNSFSP-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154559258 175351480 /nfs/dbraw/zinc/35/14/80/175351480.db2.gz WQCTWOUFMCWXNE-QWHCGFSZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154559258 175351481 /nfs/dbraw/zinc/35/14/81/175351481.db2.gz WQCTWOUFMCWXNE-QWHCGFSZSA-N 2 2 248.370 2.440 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cc(C)sc1C ZINC000556932933 322931575 /nfs/dbraw/zinc/93/15/75/322931575.db2.gz VZFYPTUIDFDFPV-UHFFFAOYSA-N 2 2 226.389 2.454 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCC(C)(C)C ZINC000049235072 175784384 /nfs/dbraw/zinc/78/43/84/175784384.db2.gz AFOSLJLBMMWWFF-NSHDSACASA-N 2 2 209.337 2.297 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000043325966 175924832 /nfs/dbraw/zinc/92/48/32/175924832.db2.gz PXKLFHJFJWNKAF-KOLCDFICSA-N 2 2 240.297 2.367 20 0 BEADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+](C)CC[NH3+] ZINC000054416845 176014058 /nfs/dbraw/zinc/01/40/58/176014058.db2.gz XYNMDIYFEJBXLN-QMMMGPOBSA-N 2 2 230.714 2.431 20 0 BEADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CC[NH3+] ZINC000054416845 176014060 /nfs/dbraw/zinc/01/40/60/176014060.db2.gz XYNMDIYFEJBXLN-QMMMGPOBSA-N 2 2 230.714 2.431 20 0 BEADLP C[C@@H](c1cccc(O)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000161761959 176019460 /nfs/dbraw/zinc/01/94/60/176019460.db2.gz DGIIUPYHXDHCCB-LBPRGKRZSA-N 2 2 245.326 2.282 20 0 BEADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000161761959 176019463 /nfs/dbraw/zinc/01/94/63/176019463.db2.gz DGIIUPYHXDHCCB-LBPRGKRZSA-N 2 2 245.326 2.282 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[NH+](C)C ZINC000300060345 176052292 /nfs/dbraw/zinc/05/22/92/176052292.db2.gz DUPUWMYQNDOULN-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000020125697 176080737 /nfs/dbraw/zinc/08/07/37/176080737.db2.gz ORPTVEVWAITWKA-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336779309 176097522 /nfs/dbraw/zinc/09/75/22/176097522.db2.gz NXRHQCLFZCLAPK-FRRDWIJNSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336779309 176097524 /nfs/dbraw/zinc/09/75/24/176097524.db2.gz NXRHQCLFZCLAPK-FRRDWIJNSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CCC[N@H+](CCOc2ccccc2)[C@@H]1C[NH3+] ZINC000043617142 176098463 /nfs/dbraw/zinc/09/84/63/176098463.db2.gz KMILFZGGMNSGDK-UKRRQHHQSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCOc2ccccc2)[C@@H]1C[NH3+] ZINC000043617142 176098464 /nfs/dbraw/zinc/09/84/64/176098464.db2.gz KMILFZGGMNSGDK-UKRRQHHQSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2cccs2)[C@@H]1C[NH3+] ZINC000069725972 176100736 /nfs/dbraw/zinc/10/07/36/176100736.db2.gz LWRNQDIZDRIJTB-ZYHUDNBSSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2cccs2)[C@@H]1C[NH3+] ZINC000069725972 176100737 /nfs/dbraw/zinc/10/07/37/176100737.db2.gz LWRNQDIZDRIJTB-ZYHUDNBSSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[NH+]1CCCC1 ZINC000020126766 176113821 /nfs/dbraw/zinc/11/38/21/176113821.db2.gz ZCSBFTSDRFTJLR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000070829432 176131324 /nfs/dbraw/zinc/13/13/24/176131324.db2.gz WDEBAOKPZSZQDD-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000054763359 176144131 /nfs/dbraw/zinc/14/41/31/176144131.db2.gz CAGJPCCRFKAEFN-FOGDFJRCSA-N 2 2 207.321 2.324 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044683797 176144814 /nfs/dbraw/zinc/14/48/14/176144814.db2.gz MCEHPZFJUMNZMR-FRRDWIJNSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044683797 176144815 /nfs/dbraw/zinc/14/48/15/176144815.db2.gz MCEHPZFJUMNZMR-FRRDWIJNSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353241196 176145121 /nfs/dbraw/zinc/14/51/21/176145121.db2.gz LHTIRYWHWREZMT-GRYCIOLGSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353241196 176145123 /nfs/dbraw/zinc/14/51/23/176145123.db2.gz LHTIRYWHWREZMT-GRYCIOLGSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000245623028 176168627 /nfs/dbraw/zinc/16/86/27/176168627.db2.gz OGSLGLURDJMZCT-DGCLKSJQSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000245623028 176168628 /nfs/dbraw/zinc/16/86/28/176168628.db2.gz OGSLGLURDJMZCT-DGCLKSJQSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000162117178 176197585 /nfs/dbraw/zinc/19/75/85/176197585.db2.gz UBMLJHCXSSHLNC-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162117178 176197587 /nfs/dbraw/zinc/19/75/87/176197587.db2.gz UBMLJHCXSSHLNC-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000309772310 176213948 /nfs/dbraw/zinc/21/39/48/176213948.db2.gz KSQQYWYFPXLBHQ-GMTAPVOTSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000309772310 176213949 /nfs/dbraw/zinc/21/39/49/176213949.db2.gz KSQQYWYFPXLBHQ-GMTAPVOTSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000105480549 176268515 /nfs/dbraw/zinc/26/85/15/176268515.db2.gz SGEXVEWJKONMJG-RISCZKNCSA-N 2 2 236.334 2.256 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000105480549 176268516 /nfs/dbraw/zinc/26/85/16/176268516.db2.gz SGEXVEWJKONMJG-RISCZKNCSA-N 2 2 236.334 2.256 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccco1 ZINC000275278153 176269786 /nfs/dbraw/zinc/26/97/86/176269786.db2.gz MPYXHVWRDCNBJN-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccco1 ZINC000275278153 176269787 /nfs/dbraw/zinc/26/97/87/176269787.db2.gz MPYXHVWRDCNBJN-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccco1 ZINC000275278153 176269788 /nfs/dbraw/zinc/26/97/88/176269788.db2.gz MPYXHVWRDCNBJN-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccco1 ZINC000275278153 176269789 /nfs/dbraw/zinc/26/97/89/176269789.db2.gz MPYXHVWRDCNBJN-YPMHNXCESA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562159 176272239 /nfs/dbraw/zinc/27/22/39/176272239.db2.gz IJPJDVRDNUJSMP-YPMHNXCESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562159 176272241 /nfs/dbraw/zinc/27/22/41/176272241.db2.gz IJPJDVRDNUJSMP-YPMHNXCESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000358188139 176274531 /nfs/dbraw/zinc/27/45/31/176274531.db2.gz LBDLKTKUTCFSIN-OEAJRASXSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000358188139 176274532 /nfs/dbraw/zinc/27/45/32/176274532.db2.gz LBDLKTKUTCFSIN-OEAJRASXSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000336750867 176275021 /nfs/dbraw/zinc/27/50/21/176275021.db2.gz FZZRVWVPRNLADX-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000336750867 176275022 /nfs/dbraw/zinc/27/50/22/176275022.db2.gz FZZRVWVPRNLADX-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000309455078 176277080 /nfs/dbraw/zinc/27/70/80/176277080.db2.gz NKVBABFJRJWXTE-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000309455078 176277081 /nfs/dbraw/zinc/27/70/81/176277081.db2.gz NKVBABFJRJWXTE-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358363138 176279250 /nfs/dbraw/zinc/27/92/50/176279250.db2.gz GCMMIKXAKCDHJF-DFBGVHRSSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1cccnc1)C1CC1 ZINC000358363138 176279252 /nfs/dbraw/zinc/27/92/52/176279252.db2.gz GCMMIKXAKCDHJF-DFBGVHRSSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000036907427 176279333 /nfs/dbraw/zinc/27/93/33/176279333.db2.gz GWPFGHSXIIMKFW-WZRBSPASSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000036907427 176279334 /nfs/dbraw/zinc/27/93/34/176279334.db2.gz GWPFGHSXIIMKFW-WZRBSPASSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000336783184 176281845 /nfs/dbraw/zinc/28/18/45/176281845.db2.gz ZQQQWRHJYIYOFQ-DGCLKSJQSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(C)CC1 ZINC000336783184 176281847 /nfs/dbraw/zinc/28/18/47/176281847.db2.gz ZQQQWRHJYIYOFQ-DGCLKSJQSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000104257055 176301648 /nfs/dbraw/zinc/30/16/48/176301648.db2.gz MXMCLHOLXLORKD-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000104257055 176301650 /nfs/dbraw/zinc/30/16/50/176301650.db2.gz MXMCLHOLXLORKD-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000180041368 176305684 /nfs/dbraw/zinc/30/56/84/176305684.db2.gz ARWDLLMJKPGUNA-LLVKDONJSA-N 2 2 247.367 2.272 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CCS1 ZINC000180041368 176305685 /nfs/dbraw/zinc/30/56/85/176305685.db2.gz ARWDLLMJKPGUNA-LLVKDONJSA-N 2 2 247.367 2.272 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@H+](CCC2CCCC2)C1 ZINC000049662257 176325746 /nfs/dbraw/zinc/32/57/46/176325746.db2.gz QQAOQSPTJVALOH-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1C[NH2+]CC[N@@H+](CCC2CCCC2)C1 ZINC000049662257 176325748 /nfs/dbraw/zinc/32/57/48/176325748.db2.gz QQAOQSPTJVALOH-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000122288329 176377298 /nfs/dbraw/zinc/37/72/98/176377298.db2.gz DUMZGPYCAWQWBO-TZMCWYRMSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@H+]1C1CC1 ZINC000122288329 176377299 /nfs/dbraw/zinc/37/72/99/176377299.db2.gz DUMZGPYCAWQWBO-TZMCWYRMSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC([NH3+])CC1 ZINC000034958693 177033993 /nfs/dbraw/zinc/03/39/93/177033993.db2.gz NZMFMUOZANLIKU-SECBINFHSA-N 2 2 240.297 2.449 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000336249793 177045625 /nfs/dbraw/zinc/04/56/25/177045625.db2.gz ZIXAQPUONLDFGG-GFCCVEGCSA-N 2 2 233.359 2.169 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CCSC1 ZINC000336782278 177074911 /nfs/dbraw/zinc/07/49/11/177074911.db2.gz XDESPVNHQNYIRT-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CCSC1 ZINC000336782278 177074912 /nfs/dbraw/zinc/07/49/12/177074912.db2.gz XDESPVNHQNYIRT-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000041041878 177082751 /nfs/dbraw/zinc/08/27/51/177082751.db2.gz XYIWJSKTGULVMO-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000044417874 177085152 /nfs/dbraw/zinc/08/51/52/177085152.db2.gz HYITYJGCPKRCMF-STQMWFEESA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000044417874 177085153 /nfs/dbraw/zinc/08/51/53/177085153.db2.gz HYITYJGCPKRCMF-STQMWFEESA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1CCCC[C@]1(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000308692379 177090249 /nfs/dbraw/zinc/09/02/49/177090249.db2.gz AVTJRXXNPYPMOL-JQWIXIFHSA-N 2 2 207.321 2.468 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2cccc(F)c2)[C@H]1C[NH3+] ZINC000251621203 177102174 /nfs/dbraw/zinc/10/21/74/177102174.db2.gz CNHJNSKPGPMEDR-FZMZJTMJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@H]1C[NH3+] ZINC000251621203 177102175 /nfs/dbraw/zinc/10/21/75/177102175.db2.gz CNHJNSKPGPMEDR-FZMZJTMJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000083390913 177141980 /nfs/dbraw/zinc/14/19/80/177141980.db2.gz IGUZUDDAVWJLMF-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000226365828 177142591 /nfs/dbraw/zinc/14/25/91/177142591.db2.gz GJKRVHDTMGWFAZ-QJPTWQEYSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056410 177191306 /nfs/dbraw/zinc/19/13/06/177191306.db2.gz KPADEYLJJUXKPQ-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056410 177191308 /nfs/dbraw/zinc/19/13/08/177191308.db2.gz KPADEYLJJUXKPQ-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948509 177203662 /nfs/dbraw/zinc/20/36/62/177203662.db2.gz NKUFQLCTEDVQFS-WFASDCNBSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1CC[C@H]([N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948509 177203664 /nfs/dbraw/zinc/20/36/64/177203664.db2.gz NKUFQLCTEDVQFS-WFASDCNBSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298644 177234667 /nfs/dbraw/zinc/23/46/67/177234667.db2.gz PVUIZJZJIBTBOO-SWLSCSKDSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298644 177234668 /nfs/dbraw/zinc/23/46/68/177234668.db2.gz PVUIZJZJIBTBOO-SWLSCSKDSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000275298644 177234669 /nfs/dbraw/zinc/23/46/69/177234669.db2.gz PVUIZJZJIBTBOO-SWLSCSKDSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(O)c1 ZINC000275298644 177234670 /nfs/dbraw/zinc/23/46/70/177234670.db2.gz PVUIZJZJIBTBOO-SWLSCSKDSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770775 177236300 /nfs/dbraw/zinc/23/63/00/177236300.db2.gz WZJZDPWMTVXXRJ-VOAKCMCISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000336770775 177236301 /nfs/dbraw/zinc/23/63/01/177236301.db2.gz WZJZDPWMTVXXRJ-VOAKCMCISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603244 177236632 /nfs/dbraw/zinc/23/66/32/177236632.db2.gz ZPSYGOJKZKAOQQ-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603244 177236633 /nfs/dbraw/zinc/23/66/33/177236633.db2.gz ZPSYGOJKZKAOQQ-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606369 177237715 /nfs/dbraw/zinc/23/77/15/177237715.db2.gz VELOHPOOKBVLJA-WCQYABFASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606369 177237716 /nfs/dbraw/zinc/23/77/16/177237716.db2.gz VELOHPOOKBVLJA-WCQYABFASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336753695 177239215 /nfs/dbraw/zinc/23/92/15/177239215.db2.gz WMOBHOPQXNGGKP-DMDPSCGWSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336753695 177239216 /nfs/dbraw/zinc/23/92/16/177239216.db2.gz WMOBHOPQXNGGKP-DMDPSCGWSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000270901773 177255405 /nfs/dbraw/zinc/25/54/05/177255405.db2.gz REHHYEUZKANQEZ-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000270901773 177255406 /nfs/dbraw/zinc/25/54/06/177255406.db2.gz REHHYEUZKANQEZ-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000251702131 177260914 /nfs/dbraw/zinc/26/09/14/177260914.db2.gz IYDSXCFCPTYEKO-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000251702131 177260915 /nfs/dbraw/zinc/26/09/15/177260915.db2.gz IYDSXCFCPTYEKO-TVQRCGJNSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000131677713 177324482 /nfs/dbraw/zinc/32/44/82/177324482.db2.gz OWRKWVDSZBYOPJ-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000131677713 177324483 /nfs/dbraw/zinc/32/44/83/177324483.db2.gz OWRKWVDSZBYOPJ-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000357710360 177330743 /nfs/dbraw/zinc/33/07/43/177330743.db2.gz OOXMTNZJJNAXMA-VHSXEESVSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(F)F)C[N@H+]1C1CC1 ZINC000357710360 177330744 /nfs/dbraw/zinc/33/07/44/177330744.db2.gz OOXMTNZJJNAXMA-VHSXEESVSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000036907430 177333909 /nfs/dbraw/zinc/33/39/09/177333909.db2.gz GWPFGHSXIIMKFW-NTZNESFSSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccco1 ZINC000036907430 177333910 /nfs/dbraw/zinc/33/39/10/177333910.db2.gz GWPFGHSXIIMKFW-NTZNESFSSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@H]1C[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000334989367 177342352 /nfs/dbraw/zinc/34/23/52/177342352.db2.gz GYCAYCKOSDCRLI-NWDGAFQWSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000270874473 177355753 /nfs/dbraw/zinc/35/57/53/177355753.db2.gz MKJKRPCDASYOPL-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000270874473 177355755 /nfs/dbraw/zinc/35/57/55/177355755.db2.gz MKJKRPCDASYOPL-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP Cc1cccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)[nH+]1 ZINC000487095914 225286511 /nfs/dbraw/zinc/28/65/11/225286511.db2.gz DVRSYRPIWTZJNW-CYBMUJFWSA-N 2 2 233.359 2.166 20 0 BEADLP Cc1cccc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)[nH+]1 ZINC000487095914 225286514 /nfs/dbraw/zinc/28/65/14/225286514.db2.gz DVRSYRPIWTZJNW-CYBMUJFWSA-N 2 2 233.359 2.166 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000487131106 225288827 /nfs/dbraw/zinc/28/88/27/225288827.db2.gz DMMRFPYGVXXHDH-ZDUSSCGKSA-N 2 2 233.359 2.166 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000487131106 225288828 /nfs/dbraw/zinc/28/88/28/225288828.db2.gz DMMRFPYGVXXHDH-ZDUSSCGKSA-N 2 2 233.359 2.166 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000487574467 225315399 /nfs/dbraw/zinc/31/53/99/225315399.db2.gz NGNKPQFSBMKYEM-SDDRHHMPSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494389314 226264687 /nfs/dbraw/zinc/26/46/87/226264687.db2.gz CBDOZOKVLLDRMV-JHJVBQTASA-N 2 2 233.359 2.366 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400408762 226342632 /nfs/dbraw/zinc/34/26/32/226342632.db2.gz SFGVVKQJRBZYFU-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cscc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400568321 226346533 /nfs/dbraw/zinc/34/65/33/226346533.db2.gz MYCOZKQIVAHRAO-ZYHUDNBSSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912610 487653481 /nfs/dbraw/zinc/65/34/81/487653481.db2.gz JQELBKSYRJLUQO-IAQYHMDHSA-N 2 2 243.354 2.208 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912610 487653485 /nfs/dbraw/zinc/65/34/85/487653485.db2.gz JQELBKSYRJLUQO-IAQYHMDHSA-N 2 2 243.354 2.208 20 0 BEADLP [NH3+]C[C@H]1C[N@H+](CCCC2CCCCC2)CCO1 ZINC000395100851 262764647 /nfs/dbraw/zinc/76/46/47/262764647.db2.gz HUIPUBMDNGDOGU-AWEZNQCLSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@H]1C[N@@H+](CCCC2CCCCC2)CCO1 ZINC000395100851 262764648 /nfs/dbraw/zinc/76/46/48/262764648.db2.gz HUIPUBMDNGDOGU-AWEZNQCLSA-N 2 2 240.391 2.006 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328470620 487693949 /nfs/dbraw/zinc/69/39/49/487693949.db2.gz LBUBOMRVIJAPCX-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328470620 487693952 /nfs/dbraw/zinc/69/39/52/487693952.db2.gz LBUBOMRVIJAPCX-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000669699658 487694134 /nfs/dbraw/zinc/69/41/34/487694134.db2.gz HZTHFDMNLXUYSB-KBPBESRZSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000669699658 487694136 /nfs/dbraw/zinc/69/41/36/487694136.db2.gz HZTHFDMNLXUYSB-KBPBESRZSA-N 2 2 234.387 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328470622 487694385 /nfs/dbraw/zinc/69/43/85/487694385.db2.gz LBUBOMRVIJAPCX-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000328470622 487694387 /nfs/dbraw/zinc/69/43/87/487694387.db2.gz LBUBOMRVIJAPCX-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCCC[NH2+]1 ZINC000395086234 262764178 /nfs/dbraw/zinc/76/41/78/262764178.db2.gz RQROOYSIAZLVPH-PWSUYJOCSA-N 2 2 224.373 2.368 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716754 487700792 /nfs/dbraw/zinc/70/07/92/487700792.db2.gz MVOAFMCAOBKZLH-RISCZKNCSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716754 487700797 /nfs/dbraw/zinc/70/07/97/487700797.db2.gz MVOAFMCAOBKZLH-RISCZKNCSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716755 487700859 /nfs/dbraw/zinc/70/08/59/487700859.db2.gz MVOAFMCAOBKZLH-SMDDNHRTSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716755 487700862 /nfs/dbraw/zinc/70/08/62/487700862.db2.gz MVOAFMCAOBKZLH-SMDDNHRTSA-N 2 2 244.338 2.473 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCC1 ZINC000097927655 487705339 /nfs/dbraw/zinc/70/53/39/487705339.db2.gz CMNWXFGKGXZJSK-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000681052883 487708305 /nfs/dbraw/zinc/70/83/05/487708305.db2.gz YASLDMGVNWGWSJ-JSGCOSHPSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000681052883 487708310 /nfs/dbraw/zinc/70/83/10/487708310.db2.gz YASLDMGVNWGWSJ-JSGCOSHPSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2COC(C)(C)C2)c[nH+]1 ZINC000668436029 487750592 /nfs/dbraw/zinc/75/05/92/487750592.db2.gz VDXZDTDUTWMPKT-CQSZACIVSA-N 2 2 248.370 2.480 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313259644 487763108 /nfs/dbraw/zinc/76/31/08/487763108.db2.gz FGGZZRFIUMOCFB-WCQYABFASA-N 2 2 221.348 2.131 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414950826 487774446 /nfs/dbraw/zinc/77/44/46/487774446.db2.gz IFTQCSNORPIAAD-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000294699148 487778446 /nfs/dbraw/zinc/77/84/46/487778446.db2.gz DZIHDFVWARXKTO-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000294699148 487778449 /nfs/dbraw/zinc/77/84/49/487778449.db2.gz DZIHDFVWARXKTO-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000294699148 487778451 /nfs/dbraw/zinc/77/84/51/487778451.db2.gz DZIHDFVWARXKTO-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000294699148 487778455 /nfs/dbraw/zinc/77/84/55/487778455.db2.gz DZIHDFVWARXKTO-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1C ZINC000039781757 487813728 /nfs/dbraw/zinc/81/37/28/487813728.db2.gz WVIMALIBOGENEI-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1C ZINC000039781757 487813734 /nfs/dbraw/zinc/81/37/34/487813734.db2.gz WVIMALIBOGENEI-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651669088 487814393 /nfs/dbraw/zinc/81/43/93/487814393.db2.gz FCDUUSCRTWEMPM-UHFFFAOYSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2cccs2)[C@H]1C[NH3+] ZINC000252138679 487818006 /nfs/dbraw/zinc/81/80/06/487818006.db2.gz LWRNQDIZDRIJTB-JQWIXIFHSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2cccs2)[C@H]1C[NH3+] ZINC000252138679 487818009 /nfs/dbraw/zinc/81/80/09/487818009.db2.gz LWRNQDIZDRIJTB-JQWIXIFHSA-N 2 2 224.373 2.307 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000229098988 487818764 /nfs/dbraw/zinc/81/87/64/487818764.db2.gz LVDHNIAKVKIGHC-VIFPVBQESA-N 2 2 246.276 2.403 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000234403426 487819106 /nfs/dbraw/zinc/81/91/06/487819106.db2.gz XKMXRBLOQIYBGQ-JTQLQIEISA-N 2 2 226.751 2.346 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000252211870 487823043 /nfs/dbraw/zinc/82/30/43/487823043.db2.gz YHOZXOQAOZVEAG-BTTYYORXSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1scnc1C1CC1 ZINC000414799077 487825092 /nfs/dbraw/zinc/82/50/92/487825092.db2.gz QZYKWSOIBGMFTA-SNVBAGLBSA-N 2 2 239.388 2.093 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401794499 487832110 /nfs/dbraw/zinc/83/21/10/487832110.db2.gz YFIGUXYTWRBRDX-SWLSCSKDSA-N 2 2 232.371 2.337 20 0 BEADLP CC[C@@]1(C)CCC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668153494 487854443 /nfs/dbraw/zinc/85/44/43/487854443.db2.gz QPKXNYUMZJQEDC-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000666783197 487857820 /nfs/dbraw/zinc/85/78/20/487857820.db2.gz ANKFMDLAGZXNGH-AWEZNQCLSA-N 2 2 230.355 2.406 20 0 BEADLP Clc1cscc1C[NH2+]C1CC[NH2+]CC1 ZINC000666734258 487868419 /nfs/dbraw/zinc/86/84/19/487868419.db2.gz QXVDRMUBKLLBNT-UHFFFAOYSA-N 2 2 230.764 2.243 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000670269541 487882647 /nfs/dbraw/zinc/88/26/47/487882647.db2.gz NWXDLLZIHUNDHI-NWDGAFQWSA-N 2 2 235.375 2.470 20 0 BEADLP CC[C@@H]1C[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](CC)CO1 ZINC000403782929 487887457 /nfs/dbraw/zinc/88/74/57/487887457.db2.gz GUINWKHKBRZPTK-HZSPNIEDSA-N 2 2 242.407 2.249 20 0 BEADLP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](CC)CO1 ZINC000403782929 487887459 /nfs/dbraw/zinc/88/74/59/487887459.db2.gz GUINWKHKBRZPTK-HZSPNIEDSA-N 2 2 242.407 2.249 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1nccc2ccccc21)C1CC1 ZINC000666834173 487887956 /nfs/dbraw/zinc/88/79/56/487887956.db2.gz SDXTVJLOPLMMKH-CQSZACIVSA-N 2 2 241.338 2.062 20 0 BEADLP c1ccc2[nH+]c(CCC[NH2+]C3CSC3)[nH]c2c1 ZINC000679840574 487901736 /nfs/dbraw/zinc/90/17/36/487901736.db2.gz JYSCKABMXJOZSN-UHFFFAOYSA-N 2 2 247.367 2.201 20 0 BEADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538406 487903027 /nfs/dbraw/zinc/90/30/27/487903027.db2.gz ZXCNARXOATVAIR-FZMZJTMJSA-N 2 2 248.370 2.396 20 0 BEADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538406 487903029 /nfs/dbraw/zinc/90/30/29/487903029.db2.gz ZXCNARXOATVAIR-FZMZJTMJSA-N 2 2 248.370 2.396 20 0 BEADLP C[C@@H](Cc1ccsc1)[N@H+](C)CC1C[NH+](C)C1 ZINC000668540090 487905123 /nfs/dbraw/zinc/90/51/23/487905123.db2.gz WHCUMERKXALBMM-NSHDSACASA-N 2 2 238.400 2.173 20 0 BEADLP C[C@@H](Cc1ccsc1)[N@@H+](C)CC1C[NH+](C)C1 ZINC000668540090 487905128 /nfs/dbraw/zinc/90/51/28/487905128.db2.gz WHCUMERKXALBMM-NSHDSACASA-N 2 2 238.400 2.173 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539864 487906583 /nfs/dbraw/zinc/90/65/83/487906583.db2.gz OPBRRGRTHHPEPQ-JSGCOSHPSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@H]1CCCC[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539864 487906585 /nfs/dbraw/zinc/90/65/85/487906585.db2.gz OPBRRGRTHHPEPQ-JSGCOSHPSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cscc1Cl ZINC000666930285 487907388 /nfs/dbraw/zinc/90/73/88/487907388.db2.gz VQWKECLBIGLFQI-RNFRBKRXSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@H]1CC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H](C)C1 ZINC000666946463 487911589 /nfs/dbraw/zinc/91/15/89/487911589.db2.gz DGWYCABEEMPUDC-DCQANWLSSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000666946718 487911675 /nfs/dbraw/zinc/91/16/75/487911675.db2.gz NEBJJZMSRVNFQC-RFGFWPKPSA-N 2 2 240.366 2.245 20 0 BEADLP C[C@@H](CCCCO)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000679332025 487912438 /nfs/dbraw/zinc/91/24/38/487912438.db2.gz CVWMFBOEQHGQSG-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](CCCCO)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000679332025 487912443 /nfs/dbraw/zinc/91/24/43/487912443.db2.gz CVWMFBOEQHGQSG-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652363293 487933413 /nfs/dbraw/zinc/93/34/13/487933413.db2.gz ACBPZOJQYCIBOG-QWRGUYRKSA-N 2 2 236.334 2.135 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000652363293 487933417 /nfs/dbraw/zinc/93/34/17/487933417.db2.gz ACBPZOJQYCIBOG-QWRGUYRKSA-N 2 2 236.334 2.135 20 0 BEADLP FC1(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000560459912 322987406 /nfs/dbraw/zinc/98/74/06/322987406.db2.gz HQKLWDIPRQRHKI-UHFFFAOYSA-N 2 2 246.289 2.240 20 0 BEADLP CC1(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000562427437 323019674 /nfs/dbraw/zinc/01/96/74/323019674.db2.gz SKTVYCOVFZZFEH-CYBMUJFWSA-N 2 2 232.327 2.335 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2ccccc2C)n1C ZINC000565241515 323036869 /nfs/dbraw/zinc/03/68/69/323036869.db2.gz FHOYITFDPZOLLF-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000570528701 323062421 /nfs/dbraw/zinc/06/24/21/323062421.db2.gz AUQDAMMREIYRQI-NEPJUHHUSA-N 2 2 231.343 2.336 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000570528701 323062422 /nfs/dbraw/zinc/06/24/22/323062422.db2.gz AUQDAMMREIYRQI-NEPJUHHUSA-N 2 2 231.343 2.336 20 0 BEADLP CC(C)[N@H+](Cc1ccccn1)CC(C)(C)[NH3+] ZINC000570569776 323063495 /nfs/dbraw/zinc/06/34/95/323063495.db2.gz BMOMWMNGMJQKSF-UHFFFAOYSA-N 2 2 221.348 2.029 20 0 BEADLP CC(C)[N@@H+](Cc1ccccn1)CC(C)(C)[NH3+] ZINC000570569776 323063496 /nfs/dbraw/zinc/06/34/96/323063496.db2.gz BMOMWMNGMJQKSF-UHFFFAOYSA-N 2 2 221.348 2.029 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@H]1C ZINC000570775941 323069851 /nfs/dbraw/zinc/06/98/51/323069851.db2.gz NZASTMZPOYDQIK-MDZLAQPJSA-N 2 2 233.359 2.354 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CC1(C)C ZINC000397760543 323091845 /nfs/dbraw/zinc/09/18/45/323091845.db2.gz DXMVOKVSTASWPL-QWRGUYRKSA-N 2 2 207.321 2.324 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000563415132 323123519 /nfs/dbraw/zinc/12/35/19/323123519.db2.gz BVWJRGAIBBRQQH-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000563532062 323129301 /nfs/dbraw/zinc/12/93/01/323129301.db2.gz UVEHPEJXJFWFFM-GJZGRUSLSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1C[C@@H](C)C[NH+](CCCc2c[nH+]cn2C)C1 ZINC000571104977 323135601 /nfs/dbraw/zinc/13/56/01/323135601.db2.gz ZEUIJMJKMGZUAL-CHWSQXEVSA-N 2 2 235.375 2.331 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)C1CC(C)(C)C1 ZINC000395466525 323227494 /nfs/dbraw/zinc/22/74/94/323227494.db2.gz RQHVQMRQHKTVRZ-UHFFFAOYSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)C1CC(C)(C)C1 ZINC000395466525 323227495 /nfs/dbraw/zinc/22/74/95/323227495.db2.gz RQHVQMRQHKTVRZ-UHFFFAOYSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042544489 323249630 /nfs/dbraw/zinc/24/96/30/323249630.db2.gz VHUXMLXEHVGPPB-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042544489 323249633 /nfs/dbraw/zinc/24/96/33/323249633.db2.gz VHUXMLXEHVGPPB-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000532523012 323272601 /nfs/dbraw/zinc/27/26/01/323272601.db2.gz QFFZZQWSPSCIOL-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000532523012 323272603 /nfs/dbraw/zinc/27/26/03/323272603.db2.gz QFFZZQWSPSCIOL-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000309115511 323319297 /nfs/dbraw/zinc/31/92/97/323319297.db2.gz LJGZXVWUKJLAAQ-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000309115511 323319301 /nfs/dbraw/zinc/31/93/01/323319301.db2.gz LJGZXVWUKJLAAQ-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000309360443 323344084 /nfs/dbraw/zinc/34/40/84/323344084.db2.gz AKTPZPUUMHDKLY-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000514781796 324112580 /nfs/dbraw/zinc/11/25/80/324112580.db2.gz KHUAEOFJZXTDDD-NSHDSACASA-N 2 2 223.364 2.377 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000515830315 324115947 /nfs/dbraw/zinc/11/59/47/324115947.db2.gz XJOWEOKVGSXGFO-SRVKXCTJSA-N 2 2 236.359 2.390 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529529553 324325205 /nfs/dbraw/zinc/32/52/05/324325205.db2.gz BYSQKQUSVGBBPF-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529529553 324325207 /nfs/dbraw/zinc/32/52/07/324325207.db2.gz BYSQKQUSVGBBPF-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CC(F)(F)C1 ZINC000529609842 324364085 /nfs/dbraw/zinc/36/40/85/324364085.db2.gz ALMCCDYVNDONAR-VIFPVBQESA-N 2 2 232.318 2.104 20 0 BEADLP COc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177640 324508384 /nfs/dbraw/zinc/50/83/84/324508384.db2.gz LLARZYZZPTUBNH-AWEZNQCLSA-N 2 2 246.354 2.069 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000130918483 325101989 /nfs/dbraw/zinc/10/19/89/325101989.db2.gz RTTOLAOJNRGBMG-ZDUSSCGKSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000130918483 325101991 /nfs/dbraw/zinc/10/19/91/325101991.db2.gz RTTOLAOJNRGBMG-ZDUSSCGKSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CC1CC1)[N@H+](C)C1CC1 ZINC000131012980 325107595 /nfs/dbraw/zinc/10/75/95/325107595.db2.gz FYDXIEFRBTYRMF-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CC1CC1)[N@@H+](C)C1CC1 ZINC000131012980 325107597 /nfs/dbraw/zinc/10/75/97/325107597.db2.gz FYDXIEFRBTYRMF-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C(C)C ZINC000131032196 325108106 /nfs/dbraw/zinc/10/81/06/325108106.db2.gz JENNFAOGFXQCGY-YPMHNXCESA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000131032196 325108112 /nfs/dbraw/zinc/10/81/12/325108112.db2.gz JENNFAOGFXQCGY-YPMHNXCESA-N 2 2 212.381 2.493 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC12CC2 ZINC000572543048 325710870 /nfs/dbraw/zinc/71/08/70/325710870.db2.gz XWPJALCQXQTMHJ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP COc1cccc2c1CCC[C@@H]2[NH2+]CC[NH+](C)C ZINC000554370670 325716235 /nfs/dbraw/zinc/71/62/35/325716235.db2.gz YAKLSSBTMUPFJP-AWEZNQCLSA-N 2 2 248.370 2.224 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000564822656 325812118 /nfs/dbraw/zinc/81/21/18/325812118.db2.gz UCYCGRKRIBZVOG-STQMWFEESA-N 2 2 248.370 2.406 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000565593372 325931685 /nfs/dbraw/zinc/93/16/85/325931685.db2.gz SVJZVHNOEXATNY-OXHZDVMGSA-N 2 2 248.370 2.491 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCC13CC3)C2 ZINC000566500640 326059768 /nfs/dbraw/zinc/05/97/68/326059768.db2.gz KSJZDSBQAJNVAC-GWCFXTLKSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC13CC3)CC2 ZINC000566500640 326059770 /nfs/dbraw/zinc/05/97/70/326059770.db2.gz KSJZDSBQAJNVAC-GWCFXTLKSA-N 2 2 231.343 2.189 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000566619680 326068407 /nfs/dbraw/zinc/06/84/07/326068407.db2.gz FIOLDQZQYXEZCK-NPPUXFBVSA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000566619680 326068409 /nfs/dbraw/zinc/06/84/09/326068409.db2.gz FIOLDQZQYXEZCK-NPPUXFBVSA-N 2 2 234.318 2.262 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CO2 ZINC000566791073 326082465 /nfs/dbraw/zinc/08/24/65/326082465.db2.gz NQHAANNIKOHYSH-XBFCOCLRSA-N 2 2 246.354 2.159 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000566902750 326092391 /nfs/dbraw/zinc/09/23/91/326092391.db2.gz KOLKPEMBDBLWHA-GDZOZFIRSA-N 2 2 234.318 2.260 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000566902750 326092392 /nfs/dbraw/zinc/09/23/92/326092392.db2.gz KOLKPEMBDBLWHA-GDZOZFIRSA-N 2 2 234.318 2.260 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000154539912 326149615 /nfs/dbraw/zinc/14/96/15/326149615.db2.gz DEPNTWHKSLPEBR-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000154539912 326149618 /nfs/dbraw/zinc/14/96/18/326149618.db2.gz DEPNTWHKSLPEBR-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C(C)C)C1CC1)C1CC1 ZINC000155886752 326213560 /nfs/dbraw/zinc/21/35/60/326213560.db2.gz SRDNUMPMENVRAP-AWEZNQCLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C(C)C)C1CC1)C1CC1 ZINC000155886752 326213562 /nfs/dbraw/zinc/21/35/62/326213562.db2.gz SRDNUMPMENVRAP-AWEZNQCLSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1csc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000567627808 326232333 /nfs/dbraw/zinc/23/23/33/326232333.db2.gz AOCRJSMRUXLHBA-UHFFFAOYSA-N 2 2 235.356 2.388 20 0 BEADLP COC(C)(C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000157192529 326260565 /nfs/dbraw/zinc/26/05/65/326260565.db2.gz RJAJARWKMGAHJB-UHFFFAOYSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1cscc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000567916314 326283273 /nfs/dbraw/zinc/28/32/73/326283273.db2.gz QWJUCEBCCIGMBW-UHFFFAOYSA-N 2 2 235.356 2.388 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2CC(C)(C)C2)n1C ZINC000568269736 326338009 /nfs/dbraw/zinc/33/80/09/326338009.db2.gz VZLHIPJCHQJWBY-UHFFFAOYSA-N 2 2 221.348 2.254 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C(C)(C)C2CC2)n1C ZINC000568273731 326339349 /nfs/dbraw/zinc/33/93/49/326339349.db2.gz YNKBZIOHNBBYRU-UHFFFAOYSA-N 2 2 207.321 2.007 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CCCC23CC3)c[nH+]1 ZINC000568275220 326339777 /nfs/dbraw/zinc/33/97/77/326339777.db2.gz NDLKFKDEWDDOBT-GFCCVEGCSA-N 2 2 219.332 2.196 20 0 BEADLP CCc1[nH+]ccn1CC[NH+]1CCC(C)CC1 ZINC000158757908 326343013 /nfs/dbraw/zinc/34/30/13/326343013.db2.gz FSAJVXWMFGEALQ-UHFFFAOYSA-N 2 2 221.348 2.177 20 0 BEADLP CC[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568643229 326370327 /nfs/dbraw/zinc/37/03/27/326370327.db2.gz GYIQORXWEVYPHF-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP CC[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568643229 326370329 /nfs/dbraw/zinc/37/03/29/326370329.db2.gz GYIQORXWEVYPHF-LBPRGKRZSA-N 2 2 221.348 2.085 20 0 BEADLP Cc1[nH+]cc(CNc2ccc(C)c[nH+]2)n1C ZINC000569021399 326387281 /nfs/dbraw/zinc/38/72/81/326387281.db2.gz XTAZKFZFFTXPTI-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000235524200 487976719 /nfs/dbraw/zinc/97/67/19/487976719.db2.gz ZCARBAIOTNPISB-AAEUAGOBSA-N 2 2 234.343 2.185 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400539179 533712140 /nfs/dbraw/zinc/71/21/40/533712140.db2.gz ULHQOUWLRYTIMM-TYNCELHUSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@H]1C[C@H]1C ZINC000668617492 488014454 /nfs/dbraw/zinc/01/44/54/488014454.db2.gz YXFDJDXROAIWQI-HZSPNIEDSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667471559 488017150 /nfs/dbraw/zinc/01/71/50/488017150.db2.gz CDSLNLVVTIKMMT-NSHDSACASA-N 2 2 219.332 2.061 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667471559 488017157 /nfs/dbraw/zinc/01/71/57/488017157.db2.gz CDSLNLVVTIKMMT-NSHDSACASA-N 2 2 219.332 2.061 20 0 BEADLP Cc1ccc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)o1 ZINC000667476310 488021957 /nfs/dbraw/zinc/02/19/57/488021957.db2.gz ULBSYASXMYRKDX-UHFFFAOYSA-N 2 2 233.315 2.262 20 0 BEADLP Cc1ccc(C[N@H+](C)Cc2c[nH+]c(C)n2C)o1 ZINC000667476310 488021959 /nfs/dbraw/zinc/02/19/59/488021959.db2.gz ULBSYASXMYRKDX-UHFFFAOYSA-N 2 2 233.315 2.262 20 0 BEADLP CC[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667545124 488041857 /nfs/dbraw/zinc/04/18/57/488041857.db2.gz YCDMJJGIEOAJFM-LLVKDONJSA-N 2 2 219.332 2.204 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C)CC2)n1C ZINC000667561441 488046752 /nfs/dbraw/zinc/04/67/52/488046752.db2.gz XCBOADMCEKGSOC-LLVKDONJSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C)CC2)n1C ZINC000667561441 488046756 /nfs/dbraw/zinc/04/67/56/488046756.db2.gz XCBOADMCEKGSOC-LLVKDONJSA-N 2 2 221.348 2.351 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)CCS1 ZINC000667650120 488073470 /nfs/dbraw/zinc/07/34/70/488073470.db2.gz MOIIWBRZNIXICN-GFCCVEGCSA-N 2 2 239.388 2.056 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)CCS1 ZINC000667650120 488073473 /nfs/dbraw/zinc/07/34/73/488073473.db2.gz MOIIWBRZNIXICN-GFCCVEGCSA-N 2 2 239.388 2.056 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667664539 488079876 /nfs/dbraw/zinc/07/98/76/488079876.db2.gz NLPVPLZAWZTGIK-WDEREUQCSA-N 2 2 219.332 2.060 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000389490632 488098473 /nfs/dbraw/zinc/09/84/73/488098473.db2.gz ZNCBVQFFPPMQAS-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000389490632 488098476 /nfs/dbraw/zinc/09/84/76/488098476.db2.gz ZNCBVQFFPPMQAS-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc(C[NH+]2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667712971 488098513 /nfs/dbraw/zinc/09/85/13/488098513.db2.gz UMBKTDCEKLTBGG-UHFFFAOYSA-N 2 2 242.326 2.253 20 0 BEADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000668679031 488105607 /nfs/dbraw/zinc/10/56/07/488105607.db2.gz XQYMHMZOOUCPIB-RYUDHWBXSA-N 2 2 219.332 2.306 20 0 BEADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000668679031 488105614 /nfs/dbraw/zinc/10/56/14/488105614.db2.gz XQYMHMZOOUCPIB-RYUDHWBXSA-N 2 2 219.332 2.306 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683108800 488106318 /nfs/dbraw/zinc/10/63/18/488106318.db2.gz DMPRDCJVKGCMHY-FRRDWIJNSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683108800 488106323 /nfs/dbraw/zinc/10/63/23/488106323.db2.gz DMPRDCJVKGCMHY-FRRDWIJNSA-N 2 2 219.332 2.176 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000397653410 488129054 /nfs/dbraw/zinc/12/90/54/488129054.db2.gz MGAZSFYNXJMOMP-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000397653410 488129057 /nfs/dbraw/zinc/12/90/57/488129057.db2.gz MGAZSFYNXJMOMP-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000094528197 487538085 /nfs/dbraw/zinc/53/80/85/487538085.db2.gz OKTGHLFWSDBKLQ-CQSZACIVSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528197 487538087 /nfs/dbraw/zinc/53/80/87/487538087.db2.gz OKTGHLFWSDBKLQ-CQSZACIVSA-N 2 2 230.355 2.487 20 0 BEADLP C[N@H+](Cc1ccccc1C1CC1)[C@H]1CC[NH2+]C1 ZINC000094528227 487539273 /nfs/dbraw/zinc/53/92/73/487539273.db2.gz PUZWJOGTPIELAJ-AWEZNQCLSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000162136765 487539445 /nfs/dbraw/zinc/53/94/45/487539445.db2.gz DEYGIYWJYLJSNW-JTQLQIEISA-N 2 2 226.751 2.346 20 0 BEADLP C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CC[NH2+]C1 ZINC000094528227 487539282 /nfs/dbraw/zinc/53/92/82/487539282.db2.gz PUZWJOGTPIELAJ-AWEZNQCLSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000086728538 487540141 /nfs/dbraw/zinc/54/01/41/487540141.db2.gz NNEUZVIDSBUEIP-CHWSQXEVSA-N 2 2 218.344 2.316 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000162145991 487540868 /nfs/dbraw/zinc/54/08/68/487540868.db2.gz GNYPXMPPMHEUOV-ZETCQYMHSA-N 2 2 218.753 2.099 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+](C)CC(C)(C)[NH3+] ZINC000662293643 487542332 /nfs/dbraw/zinc/54/23/32/487542332.db2.gz HAQWHTLQZGDOKU-VIFPVBQESA-N 2 2 222.323 2.337 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293643 487542336 /nfs/dbraw/zinc/54/23/36/487542336.db2.gz HAQWHTLQZGDOKU-VIFPVBQESA-N 2 2 222.323 2.337 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000162185502 487542657 /nfs/dbraw/zinc/54/26/57/487542657.db2.gz HMPYJEBHMPNNEX-JTQLQIEISA-N 2 2 226.751 2.346 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@H](C)C1 ZINC000668249752 487553619 /nfs/dbraw/zinc/55/36/19/487553619.db2.gz ARNYXQDCIRIFES-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H](C)C1 ZINC000668249752 487553624 /nfs/dbraw/zinc/55/36/24/487553624.db2.gz ARNYXQDCIRIFES-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc2ncccc12 ZINC000231819122 487477029 /nfs/dbraw/zinc/47/70/29/487477029.db2.gz OXHPQOOOZGVFIW-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc2ncccc12 ZINC000231819122 487477031 /nfs/dbraw/zinc/47/70/31/487477031.db2.gz OXHPQOOOZGVFIW-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CCc1cc(NCc2[nH+]ccn2CC)nc(C)[nH+]1 ZINC000295079272 487480839 /nfs/dbraw/zinc/48/08/39/487480839.db2.gz XMHQVZOIJLWWHX-UHFFFAOYSA-N 2 2 245.330 2.176 20 0 BEADLP CCC1(CC)C[NH+](Cc2c[nH+]c(C)n2C)C1 ZINC000668231172 487496417 /nfs/dbraw/zinc/49/64/17/487496417.db2.gz PDTVIAJQKMYRMO-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997319 487497413 /nfs/dbraw/zinc/49/74/13/487497413.db2.gz XWTPMPIGDYIRLG-HIFRSBDPSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997319 487497417 /nfs/dbraw/zinc/49/74/17/487497417.db2.gz XWTPMPIGDYIRLG-HIFRSBDPSA-N 2 2 248.370 2.015 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000685452247 487523749 /nfs/dbraw/zinc/52/37/49/487523749.db2.gz DYSZCCZZXRJDTQ-UHFFFAOYSA-N 2 2 241.404 2.143 20 0 BEADLP Cc1nc(C)c(C[N@H+](C)CCC[NH+](C)C)s1 ZINC000685452247 487523754 /nfs/dbraw/zinc/52/37/54/487523754.db2.gz DYSZCCZZXRJDTQ-UHFFFAOYSA-N 2 2 241.404 2.143 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086726932 487535688 /nfs/dbraw/zinc/53/56/88/487535688.db2.gz ROSBIJUKRNXACO-SMDDNHRTSA-N 2 2 218.344 2.262 20 0 BEADLP C(=C\c1ccccc1)\C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000685850118 487588551 /nfs/dbraw/zinc/58/85/51/487588551.db2.gz HNGXMOHAJRMCDC-DAXSKMNVSA-N 2 2 239.322 2.412 20 0 BEADLP C(=C\c1ccccc1)\C[N@H+]1CCn2c[nH+]cc2C1 ZINC000685850118 487588558 /nfs/dbraw/zinc/58/85/58/487588558.db2.gz HNGXMOHAJRMCDC-DAXSKMNVSA-N 2 2 239.322 2.412 20 0 BEADLP CCn1c[nH+]cc1C[NH2+]Cc1ccc(C)o1 ZINC000085183928 488134741 /nfs/dbraw/zinc/13/47/41/488134741.db2.gz UOUVWYOZGUVIEW-UHFFFAOYSA-N 2 2 219.288 2.094 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000397741970 488142933 /nfs/dbraw/zinc/14/29/33/488142933.db2.gz HRASUOPYIYKZBW-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC2(C)C)C1 ZINC000397741970 488142937 /nfs/dbraw/zinc/14/29/37/488142937.db2.gz HRASUOPYIYKZBW-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088698 488151338 /nfs/dbraw/zinc/15/13/38/488151338.db2.gz NQBGHYABVUFMPQ-XWUBHJNHSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[C@H]1C ZINC000666088698 488151342 /nfs/dbraw/zinc/15/13/42/488151342.db2.gz NQBGHYABVUFMPQ-XWUBHJNHSA-N 2 2 222.376 2.105 20 0 BEADLP c1cn(CC[NH+]2C3CCCC2CCC3)c[nH+]1 ZINC000677984192 488169262 /nfs/dbraw/zinc/16/92/62/488169262.db2.gz HYWZFXFYASHFPG-UHFFFAOYSA-N 2 2 219.332 2.290 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CCCC2 ZINC000668115221 488205753 /nfs/dbraw/zinc/20/57/53/488205753.db2.gz UNWAXNRVWJKQHF-XBFCOCLRSA-N 2 2 245.370 2.498 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)CCCC2 ZINC000668115220 488205974 /nfs/dbraw/zinc/20/59/74/488205974.db2.gz UNWAXNRVWJKQHF-KWCYVHTRSA-N 2 2 245.370 2.498 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000668154131 488210911 /nfs/dbraw/zinc/21/09/11/488210911.db2.gz GBIKKAPZACIWOM-IACUBPJLSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)n1C ZINC000668177590 488214880 /nfs/dbraw/zinc/21/48/80/488214880.db2.gz ADXUHFXXLMPCDB-ZDUSSCGKSA-N 2 2 233.359 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)n1C ZINC000668177590 488214883 /nfs/dbraw/zinc/21/48/83/488214883.db2.gz ADXUHFXXLMPCDB-ZDUSSCGKSA-N 2 2 233.359 2.349 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC(C3CC3)CC2)n1C ZINC000668186221 488216788 /nfs/dbraw/zinc/21/67/88/488216788.db2.gz FALBCYCDVHZXFD-UHFFFAOYSA-N 2 2 233.359 2.351 20 0 BEADLP CC[C@@H]1CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668189997 488218077 /nfs/dbraw/zinc/21/80/77/488218077.db2.gz WXKHQYLNGCXFLS-GFCCVEGCSA-N 2 2 242.326 2.252 20 0 BEADLP CC[C@@H]1CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668189997 488218085 /nfs/dbraw/zinc/21/80/85/488218085.db2.gz WXKHQYLNGCXFLS-GFCCVEGCSA-N 2 2 242.326 2.252 20 0 BEADLP Cn1cccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235499 488222868 /nfs/dbraw/zinc/22/28/68/488222868.db2.gz KMAWBDZKHYOBNK-CQSZACIVSA-N 2 2 244.342 2.059 20 0 BEADLP Cn1cccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235499 488222870 /nfs/dbraw/zinc/22/28/70/488222870.db2.gz KMAWBDZKHYOBNK-CQSZACIVSA-N 2 2 244.342 2.059 20 0 BEADLP FC1(F)CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000678609346 488272421 /nfs/dbraw/zinc/27/24/21/488272421.db2.gz MBANLEJWQCKKBF-LLVKDONJSA-N 2 2 244.329 2.391 20 0 BEADLP FC1(F)CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000678609346 488272423 /nfs/dbraw/zinc/27/24/23/488272423.db2.gz MBANLEJWQCKKBF-LLVKDONJSA-N 2 2 244.329 2.391 20 0 BEADLP FC(F)(F)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000678891478 488293658 /nfs/dbraw/zinc/29/36/58/488293658.db2.gz HAIFSXSAXGXJEO-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP FC(F)(F)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000678891478 488293661 /nfs/dbraw/zinc/29/36/61/488293661.db2.gz HAIFSXSAXGXJEO-SNVBAGLBSA-N 2 2 247.264 2.157 20 0 BEADLP CC[C@](C)(O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000684367321 488301873 /nfs/dbraw/zinc/30/18/73/488301873.db2.gz AUVKDDYBBGGWFQ-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC2CC(O)C2)c[nH+]1 ZINC000684406092 488306866 /nfs/dbraw/zinc/30/68/66/488306866.db2.gz UONCTFGAGATAJB-UHFFFAOYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC2CC(O)C2)c[nH+]1 ZINC000684406092 488306869 /nfs/dbraw/zinc/30/68/69/488306869.db2.gz UONCTFGAGATAJB-UHFFFAOYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1c[nH+]ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684572860 488328484 /nfs/dbraw/zinc/32/84/84/488328484.db2.gz LNQPNUGEMWBCQE-ZDUSSCGKSA-N 2 2 242.326 2.428 20 0 BEADLP C1=CC[C@H](C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000122521842 490148488 /nfs/dbraw/zinc/14/84/88/490148488.db2.gz UFIJUTSVXDFZDW-ZFWWWQNUSA-N 2 2 234.387 2.417 20 0 BEADLP C1=CC[C@H](C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000122521842 490148490 /nfs/dbraw/zinc/14/84/90/490148490.db2.gz UFIJUTSVXDFZDW-ZFWWWQNUSA-N 2 2 234.387 2.417 20 0 BEADLP c1cn(CCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000302649766 490204047 /nfs/dbraw/zinc/20/40/47/490204047.db2.gz HGLPLRFMWUDTFD-HZSPNIEDSA-N 2 2 233.359 2.442 20 0 BEADLP CCCCOCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000071201383 490258727 /nfs/dbraw/zinc/25/87/27/490258727.db2.gz WVWORBCUZFJGGV-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCOCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000071201383 490258736 /nfs/dbraw/zinc/25/87/36/490258736.db2.gz WVWORBCUZFJGGV-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000328507872 490297670 /nfs/dbraw/zinc/29/76/70/490297670.db2.gz MCSXYBXZYWUMDI-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000328507872 490297676 /nfs/dbraw/zinc/29/76/76/490297676.db2.gz MCSXYBXZYWUMDI-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCCC1(C)C ZINC000130383916 490385043 /nfs/dbraw/zinc/38/50/43/490385043.db2.gz GVDJWPXZFNCCQG-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP c1cn2c(cccc2C[NH2+]C2CC=CC2)[nH+]1 ZINC000128513953 490580656 /nfs/dbraw/zinc/58/06/56/490580656.db2.gz XDEDMNOJPOBUCR-UHFFFAOYSA-N 2 2 213.284 2.143 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000038040961 491076438 /nfs/dbraw/zinc/07/64/38/491076438.db2.gz VHBAFLOXXUCPQU-SECBINFHSA-N 2 2 240.297 2.367 20 0 BEADLP C[C@H](C[N@H+](C)CC1C[NH+](C)C1)C(C)(C)C ZINC000668538627 491127325 /nfs/dbraw/zinc/12/73/25/491127325.db2.gz FNJLZERZFBUKOX-LLVKDONJSA-N 2 2 212.381 2.162 20 0 BEADLP C[C@H](C[N@@H+](C)CC1C[NH+](C)C1)C(C)(C)C ZINC000668538627 491127326 /nfs/dbraw/zinc/12/73/26/491127326.db2.gz FNJLZERZFBUKOX-LLVKDONJSA-N 2 2 212.381 2.162 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H](C)SC1)C1CC1 ZINC000655704625 491062520 /nfs/dbraw/zinc/06/25/20/491062520.db2.gz HCELGOCDWGUIGA-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H](C)SC1)C1CC1 ZINC000655704625 491062522 /nfs/dbraw/zinc/06/25/22/491062522.db2.gz HCELGOCDWGUIGA-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c[nH+]1 ZINC000474817844 491077490 /nfs/dbraw/zinc/07/74/90/491077490.db2.gz OXHUSKHGCYPEGN-KFWWJZLASA-N 2 2 246.354 2.232 20 0 BEADLP CCc1cc(N[C@H]2CCC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000088760214 491108192 /nfs/dbraw/zinc/10/81/92/491108192.db2.gz JFVYFQFGINYSHJ-ZDUSSCGKSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1cc(N[C@H]2CCC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000088760214 491108193 /nfs/dbraw/zinc/10/81/93/491108193.db2.gz JFVYFQFGINYSHJ-ZDUSSCGKSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1cc(N[C@@H](C)Cn2cc[nH+]c2)nc(C)[nH+]1 ZINC000088760270 491108478 /nfs/dbraw/zinc/10/84/78/491108478.db2.gz OQIOAHYRZCSLOB-JTQLQIEISA-N 2 2 245.330 2.045 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000309902544 491128460 /nfs/dbraw/zinc/12/84/60/491128460.db2.gz IMWQMMLKWUCLOH-UHFFFAOYSA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000309902544 491128461 /nfs/dbraw/zinc/12/84/61/491128461.db2.gz IMWQMMLKWUCLOH-UHFFFAOYSA-N 2 2 234.334 2.352 20 0 BEADLP C[NH+](C)CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000091660206 491131238 /nfs/dbraw/zinc/13/12/38/491131238.db2.gz YDFCAVVOFNOBGR-ZDUSSCGKSA-N 2 2 233.359 2.000 20 0 BEADLP C[NH+](C)CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091660205 491131260 /nfs/dbraw/zinc/13/12/60/491131260.db2.gz YDFCAVVOFNOBGR-CYBMUJFWSA-N 2 2 233.359 2.000 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309085069 533734641 /nfs/dbraw/zinc/73/46/41/533734641.db2.gz WGWHEOLDKVOOJT-WCFLWFBJSA-N 2 2 210.365 2.105 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400539178 533777779 /nfs/dbraw/zinc/77/77/79/533777779.db2.gz ULHQOUWLRYTIMM-SLEUVZQESA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494389313 533880791 /nfs/dbraw/zinc/88/07/91/533880791.db2.gz CBDOZOKVLLDRMV-FRRDWIJNSA-N 2 2 233.359 2.366 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400503931 533920574 /nfs/dbraw/zinc/92/05/74/533920574.db2.gz CRZXLKJYSWINSP-ZANVPECISA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000400653102 533927676 /nfs/dbraw/zinc/92/76/76/533927676.db2.gz QFRQHZMQJFHYGW-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000482826339 527932662 /nfs/dbraw/zinc/93/26/62/527932662.db2.gz MHQGRSVFXNEBGJ-MBNYWOFBSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000482826339 527932669 /nfs/dbraw/zinc/93/26/69/527932669.db2.gz MHQGRSVFXNEBGJ-MBNYWOFBSA-N 2 2 233.359 2.072 20 0 BEADLP CC(C)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343146169 535159923 /nfs/dbraw/zinc/15/99/23/535159923.db2.gz FEUWEGPEUGKLSU-GFCCVEGCSA-N 2 2 209.337 2.250 20 0 BEADLP CC(C)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343146169 535159926 /nfs/dbraw/zinc/15/99/26/535159926.db2.gz FEUWEGPEUGKLSU-GFCCVEGCSA-N 2 2 209.337 2.250 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC000081568968 535262957 /nfs/dbraw/zinc/26/29/57/535262957.db2.gz CYFXLZRSRSCBNT-AWEZNQCLSA-N 2 2 247.386 2.245 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336103308 535308941 /nfs/dbraw/zinc/30/89/41/535308941.db2.gz ZOAMODUNCOZSMS-NWDGAFQWSA-N 2 2 233.359 2.366 20 0 BEADLP CCO[C@@H]1C[C@H]([NH2+]CC[NH+](CC)CC)C1(C)C ZINC000085379345 535498910 /nfs/dbraw/zinc/49/89/10/535498910.db2.gz ZOBVDCQSAVHTHK-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251953058 535513821 /nfs/dbraw/zinc/51/38/21/535513821.db2.gz USTBBZAKRNRBHF-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251953058 535513823 /nfs/dbraw/zinc/51/38/23/535513823.db2.gz USTBBZAKRNRBHF-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251953058 535513829 /nfs/dbraw/zinc/51/38/29/535513829.db2.gz USTBBZAKRNRBHF-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000251953058 535513830 /nfs/dbraw/zinc/51/38/30/535513830.db2.gz USTBBZAKRNRBHF-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000283326495 535566380 /nfs/dbraw/zinc/56/63/80/535566380.db2.gz PCOAHZZIBZJWBJ-CYBMUJFWSA-N 2 2 233.359 2.311 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000335300067 535886327 /nfs/dbraw/zinc/88/63/27/535886327.db2.gz SJIXCGUORGVVIR-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000335300067 535886334 /nfs/dbraw/zinc/88/63/34/535886334.db2.gz SJIXCGUORGVVIR-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000237054477 536011187 /nfs/dbraw/zinc/01/11/87/536011187.db2.gz IMHDRCQERITEFJ-UHFFFAOYSA-N 2 2 245.326 2.026 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccc(SC(F)F)cc1 ZINC000262695525 536368561 /nfs/dbraw/zinc/36/85/61/536368561.db2.gz BCPLRGHUSJWYOC-UHFFFAOYSA-N 2 2 246.326 2.392 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccc(SC(F)F)cc1 ZINC000262695525 536368566 /nfs/dbraw/zinc/36/85/66/536368566.db2.gz BCPLRGHUSJWYOC-UHFFFAOYSA-N 2 2 246.326 2.392 20 0 BEADLP C[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266158957 536424273 /nfs/dbraw/zinc/42/42/73/536424273.db2.gz VXFLTZTVTKQVFP-UHFFFAOYSA-N 2 2 233.340 2.048 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000893354596 583120827 /nfs/dbraw/zinc/12/08/27/583120827.db2.gz NREKTENSUDXVEU-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000893354596 583120829 /nfs/dbraw/zinc/12/08/29/583120829.db2.gz NREKTENSUDXVEU-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728707 588769510 /nfs/dbraw/zinc/76/95/10/588769510.db2.gz VDFOENSJPOCRFX-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728707 588769511 /nfs/dbraw/zinc/76/95/11/588769511.db2.gz VDFOENSJPOCRFX-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000854233089 588781224 /nfs/dbraw/zinc/78/12/24/588781224.db2.gz XHIWFECMEJHOCS-GHMZBOCLSA-N 2 2 224.323 2.393 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)[C@@H]1C ZINC000313301099 582681715 /nfs/dbraw/zinc/68/17/15/582681715.db2.gz OMYIDJQDXLXOPK-BZPMIXESSA-N 2 2 235.375 2.377 20 0 BEADLP CC[N@H+](Cc1ccc(C)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000104329031 582793592 /nfs/dbraw/zinc/79/35/92/582793592.db2.gz LTAUNZFCCHJNJU-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@@H+](Cc1ccc(C)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000104329031 582793594 /nfs/dbraw/zinc/79/35/94/582793594.db2.gz LTAUNZFCCHJNJU-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP c1cn(Cc2cccc(Cn3cc[nH+]c3)c2)c[nH+]1 ZINC000113730800 588852744 /nfs/dbraw/zinc/85/27/44/588852744.db2.gz HGYFIFXDQPTNHU-UHFFFAOYSA-N 2 2 238.294 2.176 20 0 BEADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccon1 ZINC000148630499 582887912 /nfs/dbraw/zinc/88/79/12/582887912.db2.gz WQEYXUMVQYMYFB-VXGBXAGGSA-N 2 2 237.347 2.075 20 0 BEADLP Cc1oncc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000782488240 582909436 /nfs/dbraw/zinc/90/94/36/582909436.db2.gz ACTWLTXKOFGMLN-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1oncc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000782488240 582909437 /nfs/dbraw/zinc/90/94/37/582909437.db2.gz ACTWLTXKOFGMLN-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP CCCSC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892568338 582915277 /nfs/dbraw/zinc/91/52/77/582915277.db2.gz YPHBGGURPXXEPX-VXGBXAGGSA-N 2 2 241.404 2.393 20 0 BEADLP C[C@H](O)c1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674454 582948767 /nfs/dbraw/zinc/94/87/67/582948767.db2.gz VJEQDKWYTYAAPX-WOPDTQHZSA-N 2 2 249.358 2.030 20 0 BEADLP C[C@H](O)c1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674454 582948768 /nfs/dbraw/zinc/94/87/68/582948768.db2.gz VJEQDKWYTYAAPX-WOPDTQHZSA-N 2 2 249.358 2.030 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000892763117 582978048 /nfs/dbraw/zinc/97/80/48/582978048.db2.gz JGXRIIMXHJWELF-NSHDSACASA-N 2 2 240.347 2.108 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)C[C@H](CC)O1 ZINC000398868718 583167417 /nfs/dbraw/zinc/16/74/17/583167417.db2.gz VLIVZGKQTPXJIO-OKILXGFUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@H](CC)O1 ZINC000398868718 583167418 /nfs/dbraw/zinc/16/74/18/583167418.db2.gz VLIVZGKQTPXJIO-OKILXGFUSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ncoc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000893994430 583268180 /nfs/dbraw/zinc/26/81/80/583268180.db2.gz LUFPAIXEOVZFAL-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ncoc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000893994430 583268181 /nfs/dbraw/zinc/26/81/81/583268181.db2.gz LUFPAIXEOVZFAL-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cccc(C)c1OCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894199990 583336425 /nfs/dbraw/zinc/33/64/25/583336425.db2.gz OLBPQBWXQRPIOI-UHFFFAOYSA-N 2 2 245.326 2.195 20 0 BEADLP C=C/C=C/CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878301832 583369965 /nfs/dbraw/zinc/36/99/65/583369965.db2.gz CLZJPRDGVDHDKE-MUBLQREKSA-N 2 2 231.343 2.342 20 0 BEADLP C=C/C=C/CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000878301832 583369967 /nfs/dbraw/zinc/36/99/67/583369967.db2.gz CLZJPRDGVDHDKE-MUBLQREKSA-N 2 2 231.343 2.342 20 0 BEADLP c1[nH]c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c[nH+]1 ZINC000894331128 583425009 /nfs/dbraw/zinc/42/50/09/583425009.db2.gz BUFRTIAPTUFDHW-LBPRGKRZSA-N 2 2 249.358 2.381 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894341840 583428790 /nfs/dbraw/zinc/42/87/90/583428790.db2.gz FMYSCYCKGPAYLG-CYBMUJFWSA-N 2 2 243.310 2.195 20 0 BEADLP C[C@@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)[NH+](C)C ZINC000894742247 583515709 /nfs/dbraw/zinc/51/57/09/583515709.db2.gz AIKJUBIPMJIQQG-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894786376 583521812 /nfs/dbraw/zinc/52/18/12/583521812.db2.gz HDOREMZZZKJRDR-RNCFNFMXSA-N 2 2 229.283 2.022 20 0 BEADLP Cc1ncoc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000895128737 583600208 /nfs/dbraw/zinc/60/02/08/583600208.db2.gz CPWAFYIEIHJGBM-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP Cc1ncoc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000895128737 583600210 /nfs/dbraw/zinc/60/02/10/583600210.db2.gz CPWAFYIEIHJGBM-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP CNc1cc(CNc2cc(C)[nH+]c(C)n2)cc[nH+]1 ZINC000895255646 583633940 /nfs/dbraw/zinc/63/39/40/583633940.db2.gz JJEMGYNYBLEKOZ-UHFFFAOYSA-N 2 2 243.314 2.142 20 0 BEADLP C[N@H+](C/C=C/c1cccc(F)c1)CC1C[NH+](C)C1 ZINC000895261481 583634107 /nfs/dbraw/zinc/63/41/07/583634107.db2.gz YEHBYOCSEMSWEP-GQCTYLIASA-N 2 2 248.345 2.332 20 0 BEADLP C[N@@H+](C/C=C/c1cccc(F)c1)CC1C[NH+](C)C1 ZINC000895261481 583634108 /nfs/dbraw/zinc/63/41/08/583634108.db2.gz YEHBYOCSEMSWEP-GQCTYLIASA-N 2 2 248.345 2.332 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@H](C)[NH+](C)C)c[nH+]1 ZINC000895292970 583639133 /nfs/dbraw/zinc/63/91/33/583639133.db2.gz FBPNIUYUSDTLOE-AWEZNQCLSA-N 3 2 249.402 2.252 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CSC1 ZINC000895422292 583673582 /nfs/dbraw/zinc/67/35/82/583673582.db2.gz YCXAGODMJMXAIK-UHFFFAOYSA-N 2 2 236.384 2.275 20 0 BEADLP FC1(F)CCC[C@@H]1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895545569 583689449 /nfs/dbraw/zinc/68/94/49/583689449.db2.gz RUMAGSYMJBJSKL-SECBINFHSA-N 2 2 229.274 2.325 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000883355837 583779848 /nfs/dbraw/zinc/77/98/48/583779848.db2.gz YTBDGJJNFMCOID-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000883355837 583779850 /nfs/dbraw/zinc/77/98/50/583779850.db2.gz YTBDGJJNFMCOID-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000896553149 583811002 /nfs/dbraw/zinc/81/10/02/583811002.db2.gz CKJRZUVXBHRFBB-XNRPHZJLSA-N 2 2 244.382 2.399 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000896553149 583811005 /nfs/dbraw/zinc/81/10/05/583811005.db2.gz CKJRZUVXBHRFBB-XNRPHZJLSA-N 2 2 244.382 2.399 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000896558630 583812939 /nfs/dbraw/zinc/81/29/39/583812939.db2.gz PGJPIEQZJSNZCZ-DMRZNYOFSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000896558630 583812942 /nfs/dbraw/zinc/81/29/42/583812942.db2.gz PGJPIEQZJSNZCZ-DMRZNYOFSA-N 2 2 244.382 2.472 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCO[C@H](C)CC2)c[nH+]1 ZINC000896585631 583815448 /nfs/dbraw/zinc/81/54/48/583815448.db2.gz TWPTXGTWIZFMHV-CQSZACIVSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCO[C@H](C)CC2)c[nH+]1 ZINC000896585631 583815450 /nfs/dbraw/zinc/81/54/50/583815450.db2.gz TWPTXGTWIZFMHV-CQSZACIVSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438317 583983578 /nfs/dbraw/zinc/98/35/78/583983578.db2.gz AEIKBXBAYCSMSI-FZMZJTMJSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438317 583983580 /nfs/dbraw/zinc/98/35/80/583983580.db2.gz AEIKBXBAYCSMSI-FZMZJTMJSA-N 2 2 236.403 2.495 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000729682126 584022604 /nfs/dbraw/zinc/02/26/04/584022604.db2.gz NKKOSALNILZOEB-VSKVDJIOSA-N 2 2 246.354 2.002 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000729682126 584022605 /nfs/dbraw/zinc/02/26/05/584022605.db2.gz NKKOSALNILZOEB-VSKVDJIOSA-N 2 2 246.354 2.002 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1C[C@H]3CCC[C@H]31)CCC2 ZINC000897959908 584067355 /nfs/dbraw/zinc/06/73/55/584067355.db2.gz XXEGAESJHFOLKM-RAIGVLPGSA-N 2 2 231.343 2.108 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1C[C@H]3CCC[C@@H]31)CCC2 ZINC000897959907 584067609 /nfs/dbraw/zinc/06/76/09/584067609.db2.gz XXEGAESJHFOLKM-KGYLQXTDSA-N 2 2 231.343 2.108 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)CS1 ZINC000898033757 584078176 /nfs/dbraw/zinc/07/81/76/584078176.db2.gz BHSVRVBXHSOKLM-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)CS1 ZINC000898033757 584078177 /nfs/dbraw/zinc/07/81/77/584078177.db2.gz BHSVRVBXHSOKLM-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898034691 584079248 /nfs/dbraw/zinc/07/92/48/584079248.db2.gz VSFPUWBAPAKBFH-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898034691 584079249 /nfs/dbraw/zinc/07/92/49/584079249.db2.gz VSFPUWBAPAKBFH-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034798 584079260 /nfs/dbraw/zinc/07/92/60/584079260.db2.gz XEPROLONLJMSJM-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034798 584079262 /nfs/dbraw/zinc/07/92/62/584079262.db2.gz XEPROLONLJMSJM-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000898034864 584079318 /nfs/dbraw/zinc/07/93/18/584079318.db2.gz ZKOCNOLQJZTKND-KBPBESRZSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000898034864 584079320 /nfs/dbraw/zinc/07/93/20/584079320.db2.gz ZKOCNOLQJZTKND-KBPBESRZSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)on1 ZINC000898306793 584109482 /nfs/dbraw/zinc/10/94/82/584109482.db2.gz NFVWUHPIKUXLPO-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP Cc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)on1 ZINC000898306793 584109483 /nfs/dbraw/zinc/10/94/83/584109483.db2.gz NFVWUHPIKUXLPO-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccnc1 ZINC000898309779 584110096 /nfs/dbraw/zinc/11/00/96/584110096.db2.gz OPWWGZUUACPJFP-UHFFFAOYSA-N 2 2 235.375 2.101 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cccnc1 ZINC000898309779 584110098 /nfs/dbraw/zinc/11/00/98/584110098.db2.gz OPWWGZUUACPJFP-UHFFFAOYSA-N 2 2 235.375 2.101 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C ZINC000898316288 584110684 /nfs/dbraw/zinc/11/06/84/584110684.db2.gz OGYWXLJQVDFWDZ-RWMBFGLXSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000898313962 584110736 /nfs/dbraw/zinc/11/07/36/584110736.db2.gz JAPFNEWCROJBST-IHRRRGAJSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1C ZINC000898315902 584111044 /nfs/dbraw/zinc/11/10/44/584111044.db2.gz BSBDLEFAMGIKTJ-XQQFMLRXSA-N 2 2 212.381 2.208 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1NC ZINC000902033611 584519129 /nfs/dbraw/zinc/51/91/29/584519129.db2.gz GEYHUTLBMWWPFF-AWEZNQCLSA-N 2 2 247.386 2.302 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1NC ZINC000902033611 584519130 /nfs/dbraw/zinc/51/91/30/584519130.db2.gz GEYHUTLBMWWPFF-AWEZNQCLSA-N 2 2 247.386 2.302 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000902102434 584523190 /nfs/dbraw/zinc/52/31/90/584523190.db2.gz BGDPMEMOSBSAMR-AWEZNQCLSA-N 2 2 247.386 2.221 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000902102434 584523191 /nfs/dbraw/zinc/52/31/91/584523191.db2.gz BGDPMEMOSBSAMR-AWEZNQCLSA-N 2 2 247.386 2.221 20 0 BEADLP c1cn(C2CC2)c(CNc2[nH+]ccn2C2CC2)[nH+]1 ZINC000902113312 584527101 /nfs/dbraw/zinc/52/71/01/584527101.db2.gz FJQATRANPGMODA-UHFFFAOYSA-N 2 2 243.314 2.362 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1F ZINC000902415455 584589866 /nfs/dbraw/zinc/58/98/66/584589866.db2.gz OEIPNYXEXDSVAA-MRVPVSSYSA-N 2 2 226.270 2.107 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415437 584589980 /nfs/dbraw/zinc/58/99/80/584589980.db2.gz NWVODEYAYMMTIO-LLVKDONJSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)cc(F)c1 ZINC000902417528 584591014 /nfs/dbraw/zinc/59/10/14/584591014.db2.gz SEEHDWJUTBFOOS-MRVPVSSYSA-N 2 2 226.270 2.107 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437016 584596666 /nfs/dbraw/zinc/59/66/66/584596666.db2.gz GIYKCSDOFKQCAO-KCPJHIHWSA-N 2 2 248.370 2.016 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902477883 584603310 /nfs/dbraw/zinc/60/33/10/584603310.db2.gz USXWENJWLLLWCW-VNNIEUKBSA-N 2 2 242.366 2.402 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)n1 ZINC000902478000 584603555 /nfs/dbraw/zinc/60/35/55/584603555.db2.gz WAUHCYRNZFMATD-RJZRQDKASA-N 2 2 245.370 2.242 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(F)c1 ZINC000902447043 584603869 /nfs/dbraw/zinc/60/38/69/584603869.db2.gz QTULZZKRYMAHOS-GWCFXTLKSA-N 2 2 236.334 2.474 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCCC1 ZINC000902446901 584604309 /nfs/dbraw/zinc/60/43/09/584604309.db2.gz WAYJLDKQMUFVQN-ZIAGYGMSSA-N 2 2 216.328 2.143 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902448038 584604629 /nfs/dbraw/zinc/60/46/29/584604629.db2.gz XDPOIXZQJAXBQQ-MWLCHTKSSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902447390 584605038 /nfs/dbraw/zinc/60/50/38/584605038.db2.gz UHIBQLILBZHEJV-GXSJLCMTSA-N 2 2 224.373 2.397 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000902449242 584605846 /nfs/dbraw/zinc/60/58/46/584605846.db2.gz NCQQVJMBPPKQLW-UONOGXRCSA-N 2 2 248.345 2.401 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464127 584612204 /nfs/dbraw/zinc/61/22/04/584612204.db2.gz AHAFPTKZRZTKTH-LPTSXCQYSA-N 2 2 232.327 2.140 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464714 584613541 /nfs/dbraw/zinc/61/35/41/584613541.db2.gz BWNBTSXXSHDSRE-ZGKBOVNRSA-N 2 2 228.339 2.156 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902466498 584614211 /nfs/dbraw/zinc/61/42/11/584614211.db2.gz KKFCIRPIMKPEOW-YXCITZCRSA-N 2 2 216.328 2.230 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902466554 584614250 /nfs/dbraw/zinc/61/42/50/584614250.db2.gz LXCIKJLXADWYFX-LCGIIJARSA-N 2 2 242.366 2.465 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471939 584617258 /nfs/dbraw/zinc/61/72/58/584617258.db2.gz USXWENJWLLLWCW-LIDJKPORSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000902482196 584623892 /nfs/dbraw/zinc/62/38/92/584623892.db2.gz KGYKOZXKZWGNGX-STQMWFEESA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]1C[C@H](NC[C@@H]2CCCCC[NH2+]2)c2[nH+]ccn21 ZINC000902481612 584624127 /nfs/dbraw/zinc/62/41/27/584624127.db2.gz FQENPEVDZAYUQO-AGIUHOORSA-N 2 2 248.374 2.011 20 0 BEADLP C[C@@H]1C[C@@H](NC[C@H]2CCCCC[NH2+]2)c2[nH+]ccn21 ZINC000902481614 584624167 /nfs/dbraw/zinc/62/41/67/584624167.db2.gz FQENPEVDZAYUQO-JHJVBQTASA-N 2 2 248.374 2.011 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902724165 584660682 /nfs/dbraw/zinc/66/06/82/584660682.db2.gz XRWGXDOQRSNBMV-CLLJXQQHSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)[NH+](C)C ZINC000902792479 584673509 /nfs/dbraw/zinc/67/35/09/584673509.db2.gz AIKJUBIPMJIQQG-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902829659 584677413 /nfs/dbraw/zinc/67/74/13/584677413.db2.gz DFPJUFORMWOAAJ-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902829659 584677416 /nfs/dbraw/zinc/67/74/16/584677416.db2.gz DFPJUFORMWOAAJ-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP F[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000902994416 584711601 /nfs/dbraw/zinc/71/16/01/584711601.db2.gz CERDXXZFZSEGPG-CYBMUJFWSA-N 2 2 228.355 2.296 20 0 BEADLP F[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000902994416 584711602 /nfs/dbraw/zinc/71/16/02/584711602.db2.gz CERDXXZFZSEGPG-CYBMUJFWSA-N 2 2 228.355 2.296 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000903021997 584721090 /nfs/dbraw/zinc/72/10/90/584721090.db2.gz DWABFFBTRJZGKP-VXGBXAGGSA-N 2 2 222.376 2.249 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000903063621 584722980 /nfs/dbraw/zinc/72/29/80/584722980.db2.gz GSVCSFJBWGRPLB-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000903063621 584722981 /nfs/dbraw/zinc/72/29/81/584722981.db2.gz GSVCSFJBWGRPLB-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1OC)[NH+]1CCCC1 ZINC000903067025 584723318 /nfs/dbraw/zinc/72/33/18/584723318.db2.gz QQAGKQTVYJLPDY-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903071776 584726398 /nfs/dbraw/zinc/72/63/98/584726398.db2.gz KBXRLDYEBMVXHK-BZPMIXESSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903071776 584726400 /nfs/dbraw/zinc/72/64/00/584726400.db2.gz KBXRLDYEBMVXHK-BZPMIXESSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000903165035 584731771 /nfs/dbraw/zinc/73/17/71/584731771.db2.gz HMMPWJVBBYDIDR-FDICVXPISA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000903165035 584731772 /nfs/dbraw/zinc/73/17/72/584731772.db2.gz HMMPWJVBBYDIDR-FDICVXPISA-N 2 2 248.414 2.495 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198646 584734814 /nfs/dbraw/zinc/73/48/14/584734814.db2.gz NWNHEIRRJKTCGQ-BXUZGUMPSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199453 584734840 /nfs/dbraw/zinc/73/48/40/584734840.db2.gz XWWKTFZMCMZXEV-GXFFZTMASA-N 2 2 219.332 2.036 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000903297328 584743142 /nfs/dbraw/zinc/74/31/42/584743142.db2.gz DXPSGEDCKNFOLW-RGDJUOJXSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC[N@H+]1C ZINC000903297328 584743143 /nfs/dbraw/zinc/74/31/43/584743143.db2.gz DXPSGEDCKNFOLW-RGDJUOJXSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCC3)CC[N@@H+]1C ZINC000903299403 584743170 /nfs/dbraw/zinc/74/31/70/584743170.db2.gz AVOCPOATLYUPQL-WOPDTQHZSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCC3)CC[N@H+]1C ZINC000903299403 584743171 /nfs/dbraw/zinc/74/31/71/584743171.db2.gz AVOCPOATLYUPQL-WOPDTQHZSA-N 2 2 208.349 2.001 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC000903300908 584744678 /nfs/dbraw/zinc/74/46/78/584744678.db2.gz MZADQLLNTQLCSH-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC000903300908 584744679 /nfs/dbraw/zinc/74/46/79/584744679.db2.gz MZADQLLNTQLCSH-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903380569 584757363 /nfs/dbraw/zinc/75/73/63/584757363.db2.gz NWSYEFRILXZDNQ-CYBMUJFWSA-N 2 2 221.348 2.072 20 0 BEADLP C[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903435420 584762018 /nfs/dbraw/zinc/76/20/18/584762018.db2.gz SUVKUESSUGRPSB-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903435420 584762019 /nfs/dbraw/zinc/76/20/19/584762019.db2.gz SUVKUESSUGRPSB-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1c(C)noc1C ZINC000903459740 584765770 /nfs/dbraw/zinc/76/57/70/584765770.db2.gz YONDTWVMUBUFGV-NEPJUHHUSA-N 2 2 237.347 2.084 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1c(C)noc1C ZINC000903459741 584765964 /nfs/dbraw/zinc/76/59/64/584765964.db2.gz YONDTWVMUBUFGV-VXGBXAGGSA-N 2 2 237.347 2.084 20 0 BEADLP Cc1cncc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903482128 584779009 /nfs/dbraw/zinc/77/90/09/584779009.db2.gz XYKIBUCKLBUJKH-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP CC1(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000903556323 584782915 /nfs/dbraw/zinc/78/29/15/584782915.db2.gz UVGKJTFHXOFRAF-UONOGXRCSA-N 2 2 248.345 2.482 20 0 BEADLP CC1(C)C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@H]1[NH3+] ZINC000903556323 584782917 /nfs/dbraw/zinc/78/29/17/584782917.db2.gz UVGKJTFHXOFRAF-UONOGXRCSA-N 2 2 248.345 2.482 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903556670 584782973 /nfs/dbraw/zinc/78/29/73/584782973.db2.gz DMSJBXBBGLQWQE-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000903556670 584782975 /nfs/dbraw/zinc/78/29/75/584782975.db2.gz DMSJBXBBGLQWQE-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903716719 584791823 /nfs/dbraw/zinc/79/18/23/584791823.db2.gz QMEGZRXTYBATMX-AWEZNQCLSA-N 2 2 236.334 2.340 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000903716719 584791824 /nfs/dbraw/zinc/79/18/24/584791824.db2.gz QMEGZRXTYBATMX-AWEZNQCLSA-N 2 2 236.334 2.340 20 0 BEADLP FCc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903717238 584792264 /nfs/dbraw/zinc/79/22/64/584792264.db2.gz LAZSPHSKONBAAJ-CABCVRRESA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903717238 584792265 /nfs/dbraw/zinc/79/22/65/584792265.db2.gz LAZSPHSKONBAAJ-CABCVRRESA-N 2 2 248.345 2.482 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1ccccc1C(C)C ZINC000903751663 584795247 /nfs/dbraw/zinc/79/52/47/584795247.db2.gz LDUAQLPMTKNMLL-UHFFFAOYSA-N 2 2 220.360 2.461 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1ccccc1C(C)C ZINC000903751663 584795249 /nfs/dbraw/zinc/79/52/49/584795249.db2.gz LDUAQLPMTKNMLL-UHFFFAOYSA-N 2 2 220.360 2.461 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000903762622 584797368 /nfs/dbraw/zinc/79/73/68/584797368.db2.gz BMLDNMAAWMMIEA-ZIAGYGMSSA-N 2 2 233.359 2.058 20 0 BEADLP CC1CC(C[N@@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000903769012 584798079 /nfs/dbraw/zinc/79/80/79/584798079.db2.gz XLDPTWPNHWHZHV-UHFFFAOYSA-N 2 2 222.376 2.236 20 0 BEADLP CC1CC(C[N@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000903769012 584798080 /nfs/dbraw/zinc/79/80/80/584798080.db2.gz XLDPTWPNHWHZHV-UHFFFAOYSA-N 2 2 222.376 2.236 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903780843 584799649 /nfs/dbraw/zinc/79/96/49/584799649.db2.gz MNXNHRXLOJDRBL-LSDHHAIUSA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903780843 584799650 /nfs/dbraw/zinc/79/96/50/584799650.db2.gz MNXNHRXLOJDRBL-LSDHHAIUSA-N 2 2 248.345 2.482 20 0 BEADLP CCCCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796275 584800981 /nfs/dbraw/zinc/80/09/81/584800981.db2.gz UPTXMKXNRYVKNR-STQMWFEESA-N 2 2 210.365 2.380 20 0 BEADLP CCCCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903796275 584800983 /nfs/dbraw/zinc/80/09/83/584800983.db2.gz UPTXMKXNRYVKNR-STQMWFEESA-N 2 2 210.365 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCC1CCC1 ZINC000903799261 584801404 /nfs/dbraw/zinc/80/14/04/584801404.db2.gz CQBLSMUAODCCBR-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCC1CCC1 ZINC000903799261 584801405 /nfs/dbraw/zinc/80/14/05/584801405.db2.gz CQBLSMUAODCCBR-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CC1CC=CC1 ZINC000903801083 584801518 /nfs/dbraw/zinc/80/15/18/584801518.db2.gz KOGVPKAXAGLOEJ-KGLIPLIRSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CC1CC=CC1 ZINC000903801083 584801520 /nfs/dbraw/zinc/80/15/20/584801520.db2.gz KOGVPKAXAGLOEJ-KGLIPLIRSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCC1CCC1 ZINC000903799262 584801722 /nfs/dbraw/zinc/80/17/22/584801722.db2.gz CQBLSMUAODCCBR-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCC1CCC1 ZINC000903799262 584801723 /nfs/dbraw/zinc/80/17/23/584801723.db2.gz CQBLSMUAODCCBR-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805157 584802844 /nfs/dbraw/zinc/80/28/44/584802844.db2.gz MHWKFVDSEYMUMM-ZOBORPQBSA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805157 584802845 /nfs/dbraw/zinc/80/28/45/584802845.db2.gz MHWKFVDSEYMUMM-ZOBORPQBSA-N 2 2 222.376 2.236 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000903821072 584804167 /nfs/dbraw/zinc/80/41/67/584804167.db2.gz GOKAIKMTYKAZNG-ZDUSSCGKSA-N 2 2 218.344 2.083 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000903824272 584804465 /nfs/dbraw/zinc/80/44/65/584804465.db2.gz OWWLZVVYUCVOGW-CYBMUJFWSA-N 2 2 218.344 2.083 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC000903849632 584807940 /nfs/dbraw/zinc/80/79/40/584807940.db2.gz FQGLRIGRYAGMGQ-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1F ZINC000903849632 584807942 /nfs/dbraw/zinc/80/79/42/584807942.db2.gz FQGLRIGRYAGMGQ-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856359 584808979 /nfs/dbraw/zinc/80/89/79/584808979.db2.gz QWYWNCLFZNXYFE-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000903873400 584815927 /nfs/dbraw/zinc/81/59/27/584815927.db2.gz QGLXVNZQGGIREG-GXSJLCMTSA-N 2 2 243.301 2.134 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000903873400 584815928 /nfs/dbraw/zinc/81/59/28/584815928.db2.gz QGLXVNZQGGIREG-GXSJLCMTSA-N 2 2 243.301 2.134 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccccc1Cl)CC(F)F ZINC000903923520 584823944 /nfs/dbraw/zinc/82/39/44/584823944.db2.gz WEDJDLJCJQLGAZ-VIFPVBQESA-N 2 2 248.704 2.412 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960403 584828257 /nfs/dbraw/zinc/82/82/57/584828257.db2.gz JANGNFJUBSDJFV-IUODEOHRSA-N 2 2 248.370 2.171 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000903960480 584828389 /nfs/dbraw/zinc/82/83/89/584828389.db2.gz MCUVVERECGMSFC-BXKDBHETSA-N 2 2 224.373 2.008 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)c[nH+]c1C ZINC000903948212 584829837 /nfs/dbraw/zinc/82/98/37/584829837.db2.gz NNZMVZDHBMAXDW-NEPJUHHUSA-N 2 2 219.332 2.380 20 0 BEADLP CCC(CC)C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949709 584830126 /nfs/dbraw/zinc/83/01/26/584830126.db2.gz DHCKQMJXSSKQML-UHFFFAOYSA-N 2 2 207.321 2.190 20 0 BEADLP Cc1cc(NC[C@@H]([NH3+])CC(C)C)c[nH+]c1C ZINC000903948739 584830204 /nfs/dbraw/zinc/83/02/04/584830204.db2.gz SQQPZEDUCCUBEX-LBPRGKRZSA-N 2 2 221.348 2.484 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]c1C ZINC000903948215 584830406 /nfs/dbraw/zinc/83/04/06/584830406.db2.gz NNZMVZDHBMAXDW-VXGBXAGGSA-N 2 2 219.332 2.380 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950878 584830693 /nfs/dbraw/zinc/83/06/93/584830693.db2.gz SNSUEXGHJSNATG-LBPRGKRZSA-N 2 2 219.332 2.332 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950883 584830696 /nfs/dbraw/zinc/83/06/96/584830696.db2.gz SQPMDTBJBBYZHS-MFKMUULPSA-N 2 2 219.332 2.332 20 0 BEADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(C2CC2)no1 ZINC000903954066 584831311 /nfs/dbraw/zinc/83/13/11/584831311.db2.gz PGMLZBJDPKVHSB-ZYHUDNBSSA-N 2 2 249.358 2.172 20 0 BEADLP C[C@H](C[NH2+]Cc1cc(N)cc[nH+]1)C(C)(C)C ZINC000903953625 584831319 /nfs/dbraw/zinc/83/13/19/584831319.db2.gz HKBXREQBYCYAJO-SNVBAGLBSA-N 2 2 221.348 2.436 20 0 BEADLP CO[C@H]1CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309246 584862537 /nfs/dbraw/zinc/86/25/37/584862537.db2.gz FEXXYYZSOQXYQG-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP CO[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309246 584862538 /nfs/dbraw/zinc/86/25/38/584862538.db2.gz FEXXYYZSOQXYQG-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP CCOCC[N@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904329675 584866185 /nfs/dbraw/zinc/86/61/85/584866185.db2.gz QDEZOXQXQSCGES-LBPRGKRZSA-N 2 2 230.396 2.108 20 0 BEADLP CCOCC[N@@H+](C)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904329675 584866186 /nfs/dbraw/zinc/86/61/86/584866186.db2.gz QDEZOXQXQSCGES-LBPRGKRZSA-N 2 2 230.396 2.108 20 0 BEADLP C[C@@H]1COCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340133 584866361 /nfs/dbraw/zinc/86/63/61/584866361.db2.gz DLXRAWBSOIZFEV-STQMWFEESA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H]1COCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340133 584866362 /nfs/dbraw/zinc/86/63/62/584866362.db2.gz DLXRAWBSOIZFEV-STQMWFEESA-N 2 2 242.407 2.108 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904353458 584869845 /nfs/dbraw/zinc/86/98/45/584869845.db2.gz NGJJLTMIGWKBDM-UHFFFAOYSA-N 2 2 232.249 2.072 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000904357688 584871997 /nfs/dbraw/zinc/87/19/97/584871997.db2.gz ADFLAMVBUQUDAB-NWDGAFQWSA-N 3 2 243.439 2.103 20 0 BEADLP C[C@]1(C[NH2+]Cc2cc(C3CC3)no2)CCC[NH2+]C1 ZINC000904385767 584877922 /nfs/dbraw/zinc/87/79/22/584877922.db2.gz DPNSLWXLCQPGKF-AWEZNQCLSA-N 2 2 249.358 2.031 20 0 BEADLP CC(CCn1cc[nH+]c1)CCn1cc[nH+]c1 ZINC000839506738 585105898 /nfs/dbraw/zinc/10/58/98/585105898.db2.gz RBABTHNCABGRHX-UHFFFAOYSA-N 2 2 218.304 2.196 20 0 BEADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000747530974 585180481 /nfs/dbraw/zinc/18/04/81/585180481.db2.gz ASXONKRLFQMDAK-NHEDYWLLSA-N 2 2 242.794 2.403 20 0 BEADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000747530974 585180482 /nfs/dbraw/zinc/18/04/82/585180482.db2.gz ASXONKRLFQMDAK-NHEDYWLLSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000747530974 585180483 /nfs/dbraw/zinc/18/04/83/585180483.db2.gz ASXONKRLFQMDAK-NHEDYWLLSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000747530974 585180484 /nfs/dbraw/zinc/18/04/84/585180484.db2.gz ASXONKRLFQMDAK-NHEDYWLLSA-N 2 2 242.794 2.403 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000747916476 585185580 /nfs/dbraw/zinc/18/55/80/585185580.db2.gz RNCOFOJMECDEAK-PYLYLYNFSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000747916476 585185581 /nfs/dbraw/zinc/18/55/81/585185581.db2.gz RNCOFOJMECDEAK-PYLYLYNFSA-N 2 2 234.318 2.133 20 0 BEADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000756120158 585314883 /nfs/dbraw/zinc/31/48/83/585314883.db2.gz TVNMHWOOYVFZOO-DZGCQCFKSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000756120158 585314884 /nfs/dbraw/zinc/31/48/84/585314884.db2.gz TVNMHWOOYVFZOO-DZGCQCFKSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000756120163 585314913 /nfs/dbraw/zinc/31/49/13/585314913.db2.gz TVNMHWOOYVFZOO-ZFWWWQNUSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000756120163 585314914 /nfs/dbraw/zinc/31/49/14/585314914.db2.gz TVNMHWOOYVFZOO-ZFWWWQNUSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1ccc(C(C)(C)[NH2+]CC[NH+]2CCCC2)cn1 ZINC000759912403 585382332 /nfs/dbraw/zinc/38/23/32/585382332.db2.gz UYDJOGDAQZQLAN-UHFFFAOYSA-N 2 2 247.386 2.311 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000764767431 585473023 /nfs/dbraw/zinc/47/30/23/585473023.db2.gz IRXDUAHSUOTXEP-JMSVASOKSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000764767431 585473024 /nfs/dbraw/zinc/47/30/24/585473024.db2.gz IRXDUAHSUOTXEP-JMSVASOKSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768678463 585542005 /nfs/dbraw/zinc/54/20/05/585542005.db2.gz NWQKLSFVVHGXMI-VOMCLLRMSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CC(C(F)F)C2)C1 ZINC000768678463 585542006 /nfs/dbraw/zinc/54/20/06/585542006.db2.gz NWQKLSFVVHGXMI-VOMCLLRMSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000768679777 585542016 /nfs/dbraw/zinc/54/20/16/585542016.db2.gz WMQRHCPOFFHENN-UNXYVOJBSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000768679777 585542017 /nfs/dbraw/zinc/54/20/17/585542017.db2.gz WMQRHCPOFFHENN-UNXYVOJBSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc[nH]1 ZINC000773124349 585632163 /nfs/dbraw/zinc/63/21/63/585632163.db2.gz XPIKSSHGOGMSIQ-UHIISALHSA-N 2 2 233.359 2.148 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc[nH]1 ZINC000773124349 585632164 /nfs/dbraw/zinc/63/21/64/585632164.db2.gz XPIKSSHGOGMSIQ-UHIISALHSA-N 2 2 233.359 2.148 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000777128417 585709100 /nfs/dbraw/zinc/70/91/00/585709100.db2.gz ANHJDGZXYDVUAB-FMSGJZPZSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000777128417 585709101 /nfs/dbraw/zinc/70/91/01/585709101.db2.gz ANHJDGZXYDVUAB-FMSGJZPZSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H](CCCCO)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000779019787 585744083 /nfs/dbraw/zinc/74/40/83/585744083.db2.gz NSUQUZDMKKHLRX-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000783209101 585830885 /nfs/dbraw/zinc/83/08/85/585830885.db2.gz AYPRHWJFCNIYPQ-DGCLKSJQSA-N 2 2 242.326 2.155 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000783220228 585831271 /nfs/dbraw/zinc/83/12/71/585831271.db2.gz BEGZVHMJIXFMSK-DGCLKSJQSA-N 2 2 233.359 2.150 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@]1(C)CCCO1 ZINC000788614042 585927664 /nfs/dbraw/zinc/92/76/64/585927664.db2.gz QZEXTANHELFMFF-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@]1(C)CCCO1 ZINC000788614042 585927665 /nfs/dbraw/zinc/92/76/65/585927665.db2.gz QZEXTANHELFMFF-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP FCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000791619360 585985439 /nfs/dbraw/zinc/98/54/39/585985439.db2.gz AZEAFZKDWIVZNR-GASCZTMLSA-N 2 2 248.345 2.020 20 0 BEADLP FCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000791619360 585985440 /nfs/dbraw/zinc/98/54/40/585985440.db2.gz AZEAFZKDWIVZNR-GASCZTMLSA-N 2 2 248.345 2.020 20 0 BEADLP FCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000791619360 585985441 /nfs/dbraw/zinc/98/54/41/585985441.db2.gz AZEAFZKDWIVZNR-GASCZTMLSA-N 2 2 248.345 2.020 20 0 BEADLP FCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000791619360 585985442 /nfs/dbraw/zinc/98/54/42/585985442.db2.gz AZEAFZKDWIVZNR-GASCZTMLSA-N 2 2 248.345 2.020 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000796283128 586100108 /nfs/dbraw/zinc/10/01/08/586100108.db2.gz BYEFYWPLUUCDRL-CYBMUJFWSA-N 2 2 230.311 2.227 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000796283128 586100109 /nfs/dbraw/zinc/10/01/09/586100109.db2.gz BYEFYWPLUUCDRL-CYBMUJFWSA-N 2 2 230.311 2.227 20 0 BEADLP CC[NH+]1CCC([N@H+](C)CCC(=O)C(C)C)CC1 ZINC000808732689 586485590 /nfs/dbraw/zinc/48/55/90/586485590.db2.gz IXIPAYHTJBBSKP-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)CCC(=O)C(C)C)CC1 ZINC000808732689 586485592 /nfs/dbraw/zinc/48/55/92/586485592.db2.gz IXIPAYHTJBBSKP-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cocn1 ZINC000809620267 586509621 /nfs/dbraw/zinc/50/96/21/586509621.db2.gz GWLZCXNOVUKJJH-UHFFFAOYSA-N 2 2 231.299 2.100 20 0 BEADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000816642860 586748030 /nfs/dbraw/zinc/74/80/30/586748030.db2.gz NPQLGSVSSWQEFE-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000816642860 586748031 /nfs/dbraw/zinc/74/80/31/586748031.db2.gz NPQLGSVSSWQEFE-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000816642860 586748032 /nfs/dbraw/zinc/74/80/32/586748032.db2.gz NPQLGSVSSWQEFE-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000816642860 586748033 /nfs/dbraw/zinc/74/80/33/586748033.db2.gz NPQLGSVSSWQEFE-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP COc1c(C)cc([C@H](C)[NH2+]CC[NH3+])cc1Cl ZINC000817936024 586844427 /nfs/dbraw/zinc/84/44/27/586844427.db2.gz LUIVYBFGIXQHMN-VIFPVBQESA-N 2 2 242.750 2.266 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000817941256 586845489 /nfs/dbraw/zinc/84/54/89/586845489.db2.gz OUKSNFDNAAIFLT-MWLCHTKSSA-N 2 2 239.750 2.138 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817945106 586846228 /nfs/dbraw/zinc/84/62/28/586846228.db2.gz UKMPERXWKPWBNK-ZIAGYGMSSA-N 2 2 246.354 2.024 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000817951570 586847748 /nfs/dbraw/zinc/84/77/48/586847748.db2.gz GNSRLVDKNIUJIV-NSHDSACASA-N 2 2 224.323 2.394 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000817951223 586848003 /nfs/dbraw/zinc/84/80/03/586848003.db2.gz BUUUVJVTSHAQLA-LBPRGKRZSA-N 2 2 236.359 2.182 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+]CC[NH2+]C1CC1 ZINC000817954193 586849078 /nfs/dbraw/zinc/84/90/78/586849078.db2.gz VURWMPRDUCHPIC-JTQLQIEISA-N 2 2 230.421 2.248 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccnc(Cl)c1 ZINC000817954502 586849879 /nfs/dbraw/zinc/84/98/79/586849879.db2.gz YFVSCEWSQWUHPX-SECBINFHSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817959748 586851247 /nfs/dbraw/zinc/85/12/47/586851247.db2.gz IDNROKIADGFTNC-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817959747 586851870 /nfs/dbraw/zinc/85/18/70/586851870.db2.gz IDNROKIADGFTNC-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817965441 586854000 /nfs/dbraw/zinc/85/40/00/586854000.db2.gz QLRXLJHNVIKHFS-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976371 586860430 /nfs/dbraw/zinc/86/04/30/586860430.db2.gz KVHNWOCKELRIFA-DCAQKATOSA-N 2 2 248.411 2.196 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000822451671 587168989 /nfs/dbraw/zinc/16/89/89/587168989.db2.gz NWPDVMSZTRRCPG-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812789 587241254 /nfs/dbraw/zinc/24/12/54/587241254.db2.gz PSZOIUWNDVRJRT-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812789 587241256 /nfs/dbraw/zinc/24/12/56/587241256.db2.gz PSZOIUWNDVRJRT-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC000824097681 587255172 /nfs/dbraw/zinc/25/51/72/587255172.db2.gz CULPSRNDERORJX-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC000824097681 587255173 /nfs/dbraw/zinc/25/51/73/587255173.db2.gz CULPSRNDERORJX-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CSC[C@@H]1C ZINC000824377073 587268305 /nfs/dbraw/zinc/26/83/05/587268305.db2.gz SQTXMNBNZRFSHP-AVGNSLFASA-N 2 2 242.432 2.202 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CSC[C@@H]1C ZINC000824377073 587268306 /nfs/dbraw/zinc/26/83/06/587268306.db2.gz SQTXMNBNZRFSHP-AVGNSLFASA-N 2 2 242.432 2.202 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000828515145 587446935 /nfs/dbraw/zinc/44/69/35/587446935.db2.gz FSIOVVRDXPXUSN-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1(C)C ZINC000831359754 587600807 /nfs/dbraw/zinc/60/08/07/587600807.db2.gz ZSVJQTDJCPPUEL-NWDGAFQWSA-N 2 2 237.347 2.091 20 0 BEADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1(C)C ZINC000831359756 587600847 /nfs/dbraw/zinc/60/08/47/587600847.db2.gz ZSVJQTDJCPPUEL-VXGBXAGGSA-N 2 2 237.347 2.091 20 0 BEADLP COc1cc([NH2+]C2CCC(C[NH3+])CC2)ccc1N ZINC000841043539 587939010 /nfs/dbraw/zinc/93/90/10/587939010.db2.gz WVOYOMVXRKBPLH-UHFFFAOYSA-N 2 2 249.358 2.207 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841055109 587940386 /nfs/dbraw/zinc/94/03/86/587940386.db2.gz QGSWXZFZKBHSHG-QWRGUYRKSA-N 2 2 220.316 2.092 20 0 BEADLP COc1cccc2cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])oc21 ZINC000841077032 587943733 /nfs/dbraw/zinc/94/37/33/587943733.db2.gz XAYVSBISMSGSSA-UWVGGRQHSA-N 2 2 248.326 2.267 20 0 BEADLP CC(C)c1nc(NC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000842272515 588010753 /nfs/dbraw/zinc/01/07/53/588010753.db2.gz MVEABSHHYJGQEN-NSHDSACASA-N 2 2 234.347 2.154 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440814 588193675 /nfs/dbraw/zinc/19/36/75/588193675.db2.gz UHCQSSJBSFBGTI-NSHDSACASA-N 2 2 241.285 2.041 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440814 588193677 /nfs/dbraw/zinc/19/36/77/588193677.db2.gz UHCQSSJBSFBGTI-NSHDSACASA-N 2 2 241.285 2.041 20 0 BEADLP COC1([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)CCC1 ZINC000850438568 588546492 /nfs/dbraw/zinc/54/64/92/588546492.db2.gz HPUMXJBAYKTSLF-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)CCC1 ZINC000850438568 588546495 /nfs/dbraw/zinc/54/64/95/588546495.db2.gz HPUMXJBAYKTSLF-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000851855031 588635519 /nfs/dbraw/zinc/63/55/19/588635519.db2.gz YQOOIJZICWTKTO-OLZOCXBDSA-N 2 2 249.358 2.157 20 0 BEADLP CO[C@H]1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000851855033 588635573 /nfs/dbraw/zinc/63/55/73/588635573.db2.gz YQOOIJZICWTKTO-STQMWFEESA-N 2 2 249.358 2.157 20 0 BEADLP Cl/C=C(\Cl)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852067215 588658784 /nfs/dbraw/zinc/65/87/84/588658784.db2.gz WSUQGXOQQNUCEO-BAQGIRSFSA-N 2 2 232.114 2.018 20 0 BEADLP Cl/C=C(\Cl)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000852067215 588658785 /nfs/dbraw/zinc/65/87/85/588658785.db2.gz WSUQGXOQQNUCEO-BAQGIRSFSA-N 2 2 232.114 2.018 20 0 BEADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC000852108323 588664087 /nfs/dbraw/zinc/66/40/87/588664087.db2.gz BMFFBPWOJCAICB-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC000852108323 588664088 /nfs/dbraw/zinc/66/40/88/588664088.db2.gz BMFFBPWOJCAICB-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC000852108323 588664089 /nfs/dbraw/zinc/66/40/89/588664089.db2.gz BMFFBPWOJCAICB-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC000852108323 588664090 /nfs/dbraw/zinc/66/40/90/588664090.db2.gz BMFFBPWOJCAICB-RYBZSIHZSA-N 2 2 228.767 2.157 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC=C(Cl)Cl ZINC000852750213 588699935 /nfs/dbraw/zinc/69/99/35/588699935.db2.gz NYVZNNKHBHXCEJ-WEDXCCLWSA-N 2 2 237.174 2.282 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000862295650 589200479 /nfs/dbraw/zinc/20/04/79/589200479.db2.gz PRIGHKNVMCHEQE-WDEREUQCSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000862295650 589200480 /nfs/dbraw/zinc/20/04/80/589200480.db2.gz PRIGHKNVMCHEQE-WDEREUQCSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC000862295089 589200504 /nfs/dbraw/zinc/20/05/04/589200504.db2.gz XZAWGBLFQZSKAU-LLVKDONJSA-N 2 2 246.345 2.496 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862295123 589200546 /nfs/dbraw/zinc/20/05/46/589200546.db2.gz ZCOCLJUQLWRDNY-JTQLQIEISA-N 2 2 234.334 2.352 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCCCC1(C)C ZINC000863567793 589295858 /nfs/dbraw/zinc/29/58/58/589295858.db2.gz GWFIWHGPBBFLRB-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCCCC1(C)C ZINC000863567793 589295859 /nfs/dbraw/zinc/29/58/59/589295859.db2.gz GWFIWHGPBBFLRB-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP c1[nH]c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c[nH+]1 ZINC000864050096 589334807 /nfs/dbraw/zinc/33/48/07/589334807.db2.gz UTGDWFDEHGMGGH-ZDUSSCGKSA-N 2 2 249.358 2.239 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccn1 ZINC000864055314 589335802 /nfs/dbraw/zinc/33/58/02/589335802.db2.gz NAQDXLJMDPCYOR-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP COc1cc[nH+]c(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865513213 589442866 /nfs/dbraw/zinc/44/28/66/589442866.db2.gz MKZBSGHHJUCCDU-UHFFFAOYSA-N 2 2 244.298 2.234 20 0 BEADLP CS[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000865733989 589459176 /nfs/dbraw/zinc/45/91/76/589459176.db2.gz DHVXUYWSYCSEMY-UMSPYCQHSA-N 2 2 247.367 2.318 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866253024 589483008 /nfs/dbraw/zinc/48/30/08/589483008.db2.gz CHGQZNLOHBQTSU-AWEZNQCLSA-N 2 2 249.402 2.333 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866253024 589483009 /nfs/dbraw/zinc/48/30/09/589483009.db2.gz CHGQZNLOHBQTSU-AWEZNQCLSA-N 2 2 249.402 2.333 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000866259231 589483592 /nfs/dbraw/zinc/48/35/92/589483592.db2.gz KDUGUHHYRXQXMF-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000866259231 589483593 /nfs/dbraw/zinc/48/35/93/589483593.db2.gz KDUGUHHYRXQXMF-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585041 589502361 /nfs/dbraw/zinc/50/23/61/589502361.db2.gz MXXQZDYOUISHEZ-UMVBOHGHSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585041 589502362 /nfs/dbraw/zinc/50/23/62/589502362.db2.gz MXXQZDYOUISHEZ-UMVBOHGHSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585041 589502363 /nfs/dbraw/zinc/50/23/63/589502363.db2.gz MXXQZDYOUISHEZ-UMVBOHGHSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585041 589502364 /nfs/dbraw/zinc/50/23/64/589502364.db2.gz MXXQZDYOUISHEZ-UMVBOHGHSA-N 2 2 245.370 2.169 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000866595610 589502595 /nfs/dbraw/zinc/50/25/95/589502595.db2.gz SIGVEXGEKQLSCX-OUCADQQQSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000866595610 589502597 /nfs/dbraw/zinc/50/25/97/589502597.db2.gz SIGVEXGEKQLSCX-OUCADQQQSA-N 2 2 248.370 2.296 20 0 BEADLP CC[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1[NH3+] ZINC000866663350 589508866 /nfs/dbraw/zinc/50/88/66/589508866.db2.gz FBDASWDQKYGIOE-GWCFXTLKSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1[NH3+] ZINC000866663350 589508867 /nfs/dbraw/zinc/50/88/67/589508867.db2.gz FBDASWDQKYGIOE-GWCFXTLKSA-N 2 2 249.358 2.111 20 0 BEADLP [NH3+]CCCCCCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000866671695 589510656 /nfs/dbraw/zinc/51/06/56/589510656.db2.gz YLVZRVORNFAXNO-AWEZNQCLSA-N 3 2 241.423 2.099 20 0 BEADLP [NH3+]CCCCCCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000866671695 589510657 /nfs/dbraw/zinc/51/06/57/589510657.db2.gz YLVZRVORNFAXNO-AWEZNQCLSA-N 3 2 241.423 2.099 20 0 BEADLP CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CC[NH3+] ZINC000866702782 589513283 /nfs/dbraw/zinc/51/32/83/589513283.db2.gz GLEAJSULNOPTIH-GFCCVEGCSA-N 2 2 236.334 2.352 20 0 BEADLP CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC[NH3+] ZINC000866702782 589513284 /nfs/dbraw/zinc/51/32/84/589513284.db2.gz GLEAJSULNOPTIH-GFCCVEGCSA-N 2 2 236.334 2.352 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866722932 589514989 /nfs/dbraw/zinc/51/49/89/589514989.db2.gz CUBVTZOSUBTKKF-JKSUJKDBSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866722932 589514991 /nfs/dbraw/zinc/51/49/91/589514991.db2.gz CUBVTZOSUBTKKF-JKSUJKDBSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866720145 589515007 /nfs/dbraw/zinc/51/50/07/589515007.db2.gz HOAOABGMQWCASD-LSDHHAIUSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866720145 589515009 /nfs/dbraw/zinc/51/50/09/589515009.db2.gz HOAOABGMQWCASD-LSDHHAIUSA-N 2 2 230.355 2.321 20 0 BEADLP C(CC1CCC1)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726115 589516268 /nfs/dbraw/zinc/51/62/68/589516268.db2.gz XWDDBTKRPTVYMD-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CCC1)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726115 589516269 /nfs/dbraw/zinc/51/62/69/589516269.db2.gz XWDDBTKRPTVYMD-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CCCOC1 ZINC000872016330 589855345 /nfs/dbraw/zinc/85/53/45/589855345.db2.gz IKAIZSXSSSGORO-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(O)c1F ZINC000872018988 589856831 /nfs/dbraw/zinc/85/68/31/589856831.db2.gz RHCQPVUIXNFQJC-SNVBAGLBSA-N 2 2 249.289 2.079 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872031525 589857264 /nfs/dbraw/zinc/85/72/64/589857264.db2.gz PXMSBGKKNKLSQX-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@@H]1CCCOC1 ZINC000872031525 589857265 /nfs/dbraw/zinc/85/72/65/589857265.db2.gz PXMSBGKKNKLSQX-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000872035253 589858103 /nfs/dbraw/zinc/85/81/03/589858103.db2.gz UUTUJCAGLKUBDZ-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000872035253 589858106 /nfs/dbraw/zinc/85/81/06/589858106.db2.gz UUTUJCAGLKUBDZ-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000872035250 589858317 /nfs/dbraw/zinc/85/83/17/589858317.db2.gz UUTUJCAGLKUBDZ-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000872035250 589858318 /nfs/dbraw/zinc/85/83/18/589858318.db2.gz UUTUJCAGLKUBDZ-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(C(F)(F)F)co2)CCC1 ZINC000872142741 589883140 /nfs/dbraw/zinc/88/31/40/589883140.db2.gz CDSMJRSOARZRGH-UHFFFAOYSA-N 2 2 248.248 2.269 20 0 BEADLP CC(C)Cc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000872772992 589967597 /nfs/dbraw/zinc/96/75/97/589967597.db2.gz VHRLRXHKEAYUQL-RYUDHWBXSA-N 2 2 248.374 2.228 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000873221918 589999963 /nfs/dbraw/zinc/99/99/63/589999963.db2.gz TYOKECOOZIEUIP-NWDGAFQWSA-N 2 2 242.432 2.059 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000873221918 589999964 /nfs/dbraw/zinc/99/99/64/589999964.db2.gz TYOKECOOZIEUIP-NWDGAFQWSA-N 2 2 242.432 2.059 20 0 BEADLP Fc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873229315 590000571 /nfs/dbraw/zinc/00/05/71/590000571.db2.gz RRNALBYJCSCFQO-ZIAGYGMSSA-N 2 2 234.318 2.200 20 0 BEADLP Cc1ccccc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229387 590001679 /nfs/dbraw/zinc/00/16/79/590001679.db2.gz WANBITOFAPFHOQ-CABCVRRESA-N 2 2 230.355 2.369 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)[C@@H]1CCC[NH2+]1 ZINC000873238661 590005376 /nfs/dbraw/zinc/00/53/76/590005376.db2.gz DPXJDTBJLBEQMC-LOWDOPEQSA-N 2 2 228.355 2.387 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000873238557 590005685 /nfs/dbraw/zinc/00/56/85/590005685.db2.gz BLFNDFKFAGZCCW-ZDEQEGDKSA-N 2 2 228.355 2.387 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000020091921 590073053 /nfs/dbraw/zinc/07/30/53/590073053.db2.gz ZDCNYWKDPCKHTA-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000020091921 590073056 /nfs/dbraw/zinc/07/30/56/590073056.db2.gz ZDCNYWKDPCKHTA-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000125725009 590185317 /nfs/dbraw/zinc/18/53/17/590185317.db2.gz BMEPYMWGIOTUSI-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000125725009 590185319 /nfs/dbraw/zinc/18/53/19/590185319.db2.gz BMEPYMWGIOTUSI-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)[nH+]1 ZINC000876729532 590233937 /nfs/dbraw/zinc/23/39/37/590233937.db2.gz PXKONPXACPHPCV-CMPLNLGQSA-N 2 2 247.342 2.010 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)c(C)[nH+]1 ZINC000876729533 590233954 /nfs/dbraw/zinc/23/39/54/590233954.db2.gz PXKONPXACPHPCV-JQWIXIFHSA-N 2 2 247.342 2.010 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC1CCSCC1 ZINC000877153300 590292511 /nfs/dbraw/zinc/29/25/11/590292511.db2.gz HIORUVDTPPVOJY-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC1CCSCC1 ZINC000877153300 590292512 /nfs/dbraw/zinc/29/25/12/590292512.db2.gz HIORUVDTPPVOJY-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CO[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)CC(C)C ZINC000877152699 590292648 /nfs/dbraw/zinc/29/26/48/590292648.db2.gz BQNPVFHNPHJSCW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)CC(C)C ZINC000877152699 590292649 /nfs/dbraw/zinc/29/26/49/590292649.db2.gz BQNPVFHNPHJSCW-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP ClC1(Cl)C[C@H]1C[NH2+]CC[N@H+]1CC=CCC1 ZINC000877490702 590340447 /nfs/dbraw/zinc/34/04/47/590340447.db2.gz DLDVBVNCICFFKP-JTQLQIEISA-N 2 2 249.185 2.032 20 0 BEADLP ClC1(Cl)C[C@H]1C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000877490702 590340449 /nfs/dbraw/zinc/34/04/49/590340449.db2.gz DLDVBVNCICFFKP-JTQLQIEISA-N 2 2 249.185 2.032 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744389 590410596 /nfs/dbraw/zinc/41/05/96/590410596.db2.gz SIKXXHQRJZEDSX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744389 590410597 /nfs/dbraw/zinc/41/05/97/590410597.db2.gz SIKXXHQRJZEDSX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744389 590410598 /nfs/dbraw/zinc/41/05/98/590410598.db2.gz SIKXXHQRJZEDSX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877744389 590410599 /nfs/dbraw/zinc/41/05/99/590410599.db2.gz SIKXXHQRJZEDSX-OLZOCXBDSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744852 590412873 /nfs/dbraw/zinc/41/28/73/590412873.db2.gz YKVANOLHXDDTKI-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744852 590412875 /nfs/dbraw/zinc/41/28/75/590412875.db2.gz YKVANOLHXDDTKI-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744852 590412876 /nfs/dbraw/zinc/41/28/76/590412876.db2.gz YKVANOLHXDDTKI-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744852 590412878 /nfs/dbraw/zinc/41/28/78/590412878.db2.gz YKVANOLHXDDTKI-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP CO[C@@H]1CC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000878166034 590512244 /nfs/dbraw/zinc/51/22/44/590512244.db2.gz JYOCACCRAMDTNB-CYBMUJFWSA-N 2 2 234.343 2.228 20 0 BEADLP CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000878166034 590512247 /nfs/dbraw/zinc/51/22/47/590512247.db2.gz JYOCACCRAMDTNB-CYBMUJFWSA-N 2 2 234.343 2.228 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC2CC2)C1 ZINC000878302011 590538847 /nfs/dbraw/zinc/53/88/47/590538847.db2.gz GLPDWNIWWJQVCJ-CYBMUJFWSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000878302011 590538849 /nfs/dbraw/zinc/53/88/49/590538849.db2.gz GLPDWNIWWJQVCJ-CYBMUJFWSA-N 2 2 233.359 2.400 20 0 BEADLP C[C@H](C[N@@H+]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000878628719 590597891 /nfs/dbraw/zinc/59/78/91/590597891.db2.gz MJGPCJHSXKHACO-SNVBAGLBSA-N 2 2 221.348 2.450 20 0 BEADLP C[C@H](C[N@H+]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000878628719 590597892 /nfs/dbraw/zinc/59/78/92/590597892.db2.gz MJGPCJHSXKHACO-SNVBAGLBSA-N 2 2 221.348 2.450 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878791335 590623522 /nfs/dbraw/zinc/62/35/22/590623522.db2.gz LUAPRGVYRHPFGF-LBPRGKRZSA-N 2 2 228.767 2.299 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878791335 590623524 /nfs/dbraw/zinc/62/35/24/590623524.db2.gz LUAPRGVYRHPFGF-LBPRGKRZSA-N 2 2 228.767 2.299 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791335 590623526 /nfs/dbraw/zinc/62/35/26/590623526.db2.gz LUAPRGVYRHPFGF-LBPRGKRZSA-N 2 2 228.767 2.299 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC=C(Cl)C1 ZINC000878791335 590623527 /nfs/dbraw/zinc/62/35/27/590623527.db2.gz LUAPRGVYRHPFGF-LBPRGKRZSA-N 2 2 228.767 2.299 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC000879577169 590812387 /nfs/dbraw/zinc/81/23/87/590812387.db2.gz HDLOSYDDLBSNQZ-JMQBSKDBSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC000879577169 590812391 /nfs/dbraw/zinc/81/23/91/590812391.db2.gz HDLOSYDDLBSNQZ-JMQBSKDBSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC000879577169 590812394 /nfs/dbraw/zinc/81/23/94/590812394.db2.gz HDLOSYDDLBSNQZ-JMQBSKDBSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@H]21 ZINC000879577169 590812398 /nfs/dbraw/zinc/81/23/98/590812398.db2.gz HDLOSYDDLBSNQZ-JMQBSKDBSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC000880130614 590930653 /nfs/dbraw/zinc/93/06/53/590930653.db2.gz GPSDZYJMOCJWNH-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCC1 ZINC000880130614 590930655 /nfs/dbraw/zinc/93/06/55/590930655.db2.gz GPSDZYJMOCJWNH-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC000880130614 590930658 /nfs/dbraw/zinc/93/06/58/590930658.db2.gz GPSDZYJMOCJWNH-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1 ZINC000880130614 590930660 /nfs/dbraw/zinc/93/06/60/590930660.db2.gz GPSDZYJMOCJWNH-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1ccccc1 ZINC000880130988 590931562 /nfs/dbraw/zinc/93/15/62/590931562.db2.gz IYVQSGTZNNJJEN-HZPDHXFCSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1ccccc1 ZINC000880130988 590931566 /nfs/dbraw/zinc/93/15/66/590931566.db2.gz IYVQSGTZNNJJEN-HZPDHXFCSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC000880130988 590931569 /nfs/dbraw/zinc/93/15/69/590931569.db2.gz IYVQSGTZNNJJEN-HZPDHXFCSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1ccccc1 ZINC000880130988 590931572 /nfs/dbraw/zinc/93/15/72/590931572.db2.gz IYVQSGTZNNJJEN-HZPDHXFCSA-N 2 2 244.382 2.398 20 0 BEADLP C=C/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140078 590940515 /nfs/dbraw/zinc/94/05/15/590940515.db2.gz DNVVVISXAZUGJW-WEHDMVHDSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140078 590940518 /nfs/dbraw/zinc/94/05/18/590940518.db2.gz DNVVVISXAZUGJW-WEHDMVHDSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140078 590940520 /nfs/dbraw/zinc/94/05/20/590940520.db2.gz DNVVVISXAZUGJW-WEHDMVHDSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140078 590940521 /nfs/dbraw/zinc/94/05/21/590940521.db2.gz DNVVVISXAZUGJW-WEHDMVHDSA-N 2 2 220.360 2.287 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCCF ZINC000880141957 590941655 /nfs/dbraw/zinc/94/16/55/590941655.db2.gz LFANHZFQZKKHKN-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCCF ZINC000880141957 590941658 /nfs/dbraw/zinc/94/16/58/590941658.db2.gz LFANHZFQZKKHKN-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC000880141957 590941661 /nfs/dbraw/zinc/94/16/61/590941661.db2.gz LFANHZFQZKKHKN-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCCCF ZINC000880141957 590941664 /nfs/dbraw/zinc/94/16/64/590941664.db2.gz LFANHZFQZKKHKN-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccsc1 ZINC000880142364 590943120 /nfs/dbraw/zinc/94/31/20/590943120.db2.gz NJBMCNMPKUCFKX-STQMWFEESA-N 2 2 236.384 2.417 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccsc1 ZINC000880142364 590943117 /nfs/dbraw/zinc/94/31/17/590943117.db2.gz NJBMCNMPKUCFKX-STQMWFEESA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccsc1 ZINC000880142364 590943122 /nfs/dbraw/zinc/94/31/22/590943122.db2.gz NJBMCNMPKUCFKX-STQMWFEESA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccsc1 ZINC000880142364 590943124 /nfs/dbraw/zinc/94/31/24/590943124.db2.gz NJBMCNMPKUCFKX-STQMWFEESA-N 2 2 236.384 2.417 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203570 590957909 /nfs/dbraw/zinc/95/79/09/590957909.db2.gz CTGMGTUHLROHAS-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203570 590957910 /nfs/dbraw/zinc/95/79/10/590957910.db2.gz CTGMGTUHLROHAS-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249512 591590755 /nfs/dbraw/zinc/59/07/55/591590755.db2.gz IXHRYRQFRRSYTD-DGCLKSJQSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249512 591590760 /nfs/dbraw/zinc/59/07/60/591590760.db2.gz IXHRYRQFRRSYTD-DGCLKSJQSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883266020 591600801 /nfs/dbraw/zinc/60/08/01/591600801.db2.gz QFPOZJYONYKGHC-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883266020 591600804 /nfs/dbraw/zinc/60/08/04/591600804.db2.gz QFPOZJYONYKGHC-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000131407428 591607658 /nfs/dbraw/zinc/60/76/58/591607658.db2.gz DWLQYAJQHHFVTK-LBPRGKRZSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000131407428 591607663 /nfs/dbraw/zinc/60/76/63/591607663.db2.gz DWLQYAJQHHFVTK-LBPRGKRZSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883415816 591651786 /nfs/dbraw/zinc/65/17/86/591651786.db2.gz FOJPERARWAISLY-QWRGUYRKSA-N 2 2 232.318 2.235 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883415816 591651789 /nfs/dbraw/zinc/65/17/89/591651789.db2.gz FOJPERARWAISLY-QWRGUYRKSA-N 2 2 232.318 2.235 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883417547 591652313 /nfs/dbraw/zinc/65/23/13/591652313.db2.gz DWSWSEZHJHVEGH-YUELXQCFSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883417547 591652314 /nfs/dbraw/zinc/65/23/14/591652314.db2.gz DWSWSEZHJHVEGH-YUELXQCFSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1nc(C)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000883415761 591653127 /nfs/dbraw/zinc/65/31/27/591653127.db2.gz DFPKUAVGQQWOFU-UHFFFAOYSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000883415761 591653129 /nfs/dbraw/zinc/65/31/29/591653129.db2.gz DFPKUAVGQQWOFU-UHFFFAOYSA-N 2 2 249.358 2.008 20 0 BEADLP CC[C@H]1C[N@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000133064127 591761117 /nfs/dbraw/zinc/76/11/17/591761117.db2.gz RSYGOFCKOSCDOZ-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000133064127 591761121 /nfs/dbraw/zinc/76/11/21/591761121.db2.gz RSYGOFCKOSCDOZ-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000133609102 591842640 /nfs/dbraw/zinc/84/26/40/591842640.db2.gz CBGPTXVHSARJPE-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000133609102 591842642 /nfs/dbraw/zinc/84/26/42/591842642.db2.gz CBGPTXVHSARJPE-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP FC(F)(F)c1cc[nH+]c(NC[C@@H]2CC[NH2+]C2)c1 ZINC000133814907 591860229 /nfs/dbraw/zinc/86/02/29/591860229.db2.gz HIWSOVWQQSMNOM-MRVPVSSYSA-N 2 2 245.248 2.122 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000134062164 591880847 /nfs/dbraw/zinc/88/08/47/591880847.db2.gz UUVQMTQVNKOYCF-TUAOUCFPSA-N 2 2 242.432 2.343 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000134062164 591880850 /nfs/dbraw/zinc/88/08/50/591880850.db2.gz UUVQMTQVNKOYCF-TUAOUCFPSA-N 2 2 242.432 2.343 20 0 BEADLP CCc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000884521779 591964971 /nfs/dbraw/zinc/96/49/71/591964971.db2.gz HBVYBOUQRQXWBQ-YOGCLGLASA-N 2 2 246.358 2.076 20 0 BEADLP CCc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000884521779 591964973 /nfs/dbraw/zinc/96/49/73/591964973.db2.gz HBVYBOUQRQXWBQ-YOGCLGLASA-N 2 2 246.358 2.076 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc2cccnc21 ZINC000135295850 592003881 /nfs/dbraw/zinc/00/38/81/592003881.db2.gz HOVDLXJYPWNAPE-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc2cccnc21 ZINC000135295850 592003883 /nfs/dbraw/zinc/00/38/83/592003883.db2.gz HOVDLXJYPWNAPE-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccn1 ZINC000075860153 592313780 /nfs/dbraw/zinc/31/37/80/592313780.db2.gz GPZYGALZQOBNNF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccn1 ZINC000075860153 592313786 /nfs/dbraw/zinc/31/37/86/592313786.db2.gz GPZYGALZQOBNNF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccn1 ZINC000075860153 592313789 /nfs/dbraw/zinc/31/37/89/592313789.db2.gz GPZYGALZQOBNNF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccn1 ZINC000075860153 592313795 /nfs/dbraw/zinc/31/37/95/592313795.db2.gz GPZYGALZQOBNNF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000886877401 592380050 /nfs/dbraw/zinc/38/00/50/592380050.db2.gz DDPJCMFQLQAVTR-MJBXVCDLSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000886877401 592380055 /nfs/dbraw/zinc/38/00/55/592380055.db2.gz DDPJCMFQLQAVTR-MJBXVCDLSA-N 2 2 240.391 2.005 20 0 BEADLP FC(F)C[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000887100600 592441304 /nfs/dbraw/zinc/44/13/04/592441304.db2.gz IZMVPOVRLQXIJV-UHFFFAOYSA-N 2 2 229.274 2.003 20 0 BEADLP FC(F)C[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000887100600 592441308 /nfs/dbraw/zinc/44/13/08/592441308.db2.gz IZMVPOVRLQXIJV-UHFFFAOYSA-N 2 2 229.274 2.003 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221888669 592462208 /nfs/dbraw/zinc/46/22/08/592462208.db2.gz CGACQSDLDWFMKS-JHJVBQTASA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221888669 592462209 /nfs/dbraw/zinc/46/22/09/592462209.db2.gz CGACQSDLDWFMKS-JHJVBQTASA-N 2 2 248.370 2.425 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\Cl)[C@H](C)C1 ZINC000255419198 631646967 /nfs/dbraw/zinc/64/69/67/631646967.db2.gz XZFBJBAKORTTNV-OXTPZFROSA-N 2 2 230.783 2.401 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\Cl)[C@H](C)C1 ZINC000255419198 631646971 /nfs/dbraw/zinc/64/69/71/631646971.db2.gz XZFBJBAKORTTNV-OXTPZFROSA-N 2 2 230.783 2.401 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\Cl)[C@H](C)C1 ZINC000255419198 631646978 /nfs/dbraw/zinc/64/69/78/631646978.db2.gz XZFBJBAKORTTNV-OXTPZFROSA-N 2 2 230.783 2.401 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\Cl)[C@H](C)C1 ZINC000255419198 631646981 /nfs/dbraw/zinc/64/69/81/631646981.db2.gz XZFBJBAKORTTNV-OXTPZFROSA-N 2 2 230.783 2.401 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000308833398 631893125 /nfs/dbraw/zinc/89/31/25/631893125.db2.gz HBQIFOLNRKSPNH-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000308833398 631893131 /nfs/dbraw/zinc/89/31/31/631893131.db2.gz HBQIFOLNRKSPNH-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CC1)[NH+]1CCCCC1 ZINC000308843123 631905169 /nfs/dbraw/zinc/90/51/69/631905169.db2.gz KWLDQOGAFDZTFN-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cnc(Cl)s1 ZINC000309239656 631975377 /nfs/dbraw/zinc/97/53/77/631975377.db2.gz AFCXTKGZQGPKIZ-JTQLQIEISA-N 2 2 247.795 2.260 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000235516079 632042295 /nfs/dbraw/zinc/04/22/95/632042295.db2.gz ORUPZUQZRLUKHO-GXTWGEPZSA-N 2 2 218.344 2.398 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000111380941 632133563 /nfs/dbraw/zinc/13/35/63/632133563.db2.gz QSZNDZNQWDRFQF-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000111380941 632133566 /nfs/dbraw/zinc/13/35/66/632133566.db2.gz QSZNDZNQWDRFQF-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)[N@H+](C)C1CC1 ZINC000924967134 635814242 /nfs/dbraw/zinc/81/42/42/635814242.db2.gz JZOADFKINAPJRM-QVHKTLOISA-N 2 2 234.387 2.413 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)[N@@H+](C)C1CC1 ZINC000924967134 635814247 /nfs/dbraw/zinc/81/42/47/635814247.db2.gz JZOADFKINAPJRM-QVHKTLOISA-N 2 2 234.387 2.413 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926580394 632589369 /nfs/dbraw/zinc/58/93/69/632589369.db2.gz QOJIVCKGOARIIN-XQQFMLRXSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926580394 632589374 /nfs/dbraw/zinc/58/93/74/632589374.db2.gz QOJIVCKGOARIIN-XQQFMLRXSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)CCSc1ccccc1 ZINC000309033599 632619505 /nfs/dbraw/zinc/61/95/05/632619505.db2.gz DIMAICQYZRWMMV-NSHDSACASA-N 2 2 224.373 2.058 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)CCSc1ccccc1 ZINC000309033599 632619509 /nfs/dbraw/zinc/61/95/09/632619509.db2.gz DIMAICQYZRWMMV-NSHDSACASA-N 2 2 224.373 2.058 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000235439815 632737057 /nfs/dbraw/zinc/73/70/57/632737057.db2.gz DZNZQNZUQUJSOU-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000235439815 632737063 /nfs/dbraw/zinc/73/70/63/632737063.db2.gz DZNZQNZUQUJSOU-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712633 632858743 /nfs/dbraw/zinc/85/87/43/632858743.db2.gz AAXLZVMXJMOCFK-GBJTYRQASA-N 2 2 234.387 2.415 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712633 632858744 /nfs/dbraw/zinc/85/87/44/632858744.db2.gz AAXLZVMXJMOCFK-GBJTYRQASA-N 2 2 234.387 2.415 20 0 BEADLP CCC1(C)CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000309317364 632930191 /nfs/dbraw/zinc/93/01/91/632930191.db2.gz PLEBCDDDCXMXSU-SNVBAGLBSA-N 2 2 234.334 2.481 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000309801781 633754967 /nfs/dbraw/zinc/75/49/67/633754967.db2.gz RGTZJSJBEFCFPT-NEPJUHHUSA-N 2 2 219.332 2.272 20 0 BEADLP CSC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000925516184 633866874 /nfs/dbraw/zinc/86/68/74/633866874.db2.gz VZWZYMYNKOLNNZ-YWPUVAFDSA-N 2 2 242.432 2.199 20 0 BEADLP CSC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000925516184 633866890 /nfs/dbraw/zinc/86/68/90/633866890.db2.gz VZWZYMYNKOLNNZ-YWPUVAFDSA-N 2 2 242.432 2.199 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000309770468 634003670 /nfs/dbraw/zinc/00/36/70/634003670.db2.gz KJCBWMJEAGNACZ-WHXUTIOJSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000309770468 634003673 /nfs/dbraw/zinc/00/36/73/634003673.db2.gz KJCBWMJEAGNACZ-WHXUTIOJSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343189 634168667 /nfs/dbraw/zinc/16/86/67/634168667.db2.gz RMQXDKNCDQAVDK-LLVKDONJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343189 634168674 /nfs/dbraw/zinc/16/86/74/634168674.db2.gz RMQXDKNCDQAVDK-LLVKDONJSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)CCC[NH2+]CC[NH+]1CCCCC1 ZINC000053344640 634169855 /nfs/dbraw/zinc/16/98/55/634169855.db2.gz AUBGZDIWADZTQL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C(C)C ZINC000053345039 634170287 /nfs/dbraw/zinc/17/02/87/634170287.db2.gz HASLCDFFGCCOOF-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C(C)C ZINC000053345039 634170293 /nfs/dbraw/zinc/17/02/93/634170293.db2.gz HASLCDFFGCCOOF-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925696897 634356774 /nfs/dbraw/zinc/35/67/74/634356774.db2.gz VCYGLNCTKJBOER-OBCWZRDOSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925696894 634357394 /nfs/dbraw/zinc/35/73/94/634357394.db2.gz VCYGLNCTKJBOER-DZGBDDFRSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925696896 634358310 /nfs/dbraw/zinc/35/83/10/634358310.db2.gz VCYGLNCTKJBOER-HQRZJTNHSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925696898 634358730 /nfs/dbraw/zinc/35/87/30/634358730.db2.gz VCYGLNCTKJBOER-UEEZHKSASA-N 2 2 248.345 2.412 20 0 BEADLP CSc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258758719 635196728 /nfs/dbraw/zinc/19/67/28/635196728.db2.gz MXYSMJXINMFVOM-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258758719 635196733 /nfs/dbraw/zinc/19/67/33/635196733.db2.gz MXYSMJXINMFVOM-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000259105340 635241609 /nfs/dbraw/zinc/24/16/09/635241609.db2.gz OTIGFOVGCKRHAK-UHFFFAOYSA-N 2 2 228.698 2.060 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924650782 636975630 /nfs/dbraw/zinc/97/56/30/636975630.db2.gz WZVRNMXINWALKX-FQUUOJAGSA-N 2 2 231.343 2.216 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]CC1([NH3+])CC1 ZINC000904449133 637414640 /nfs/dbraw/zinc/41/46/40/637414640.db2.gz FLMBIDPRBBOZKH-UHFFFAOYSA-N 2 2 234.343 2.055 20 0 BEADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC1 ZINC000904458123 637421392 /nfs/dbraw/zinc/42/13/92/637421392.db2.gz BNKITOBGSJZPNT-COLVAYQJSA-N 2 2 230.355 2.389 20 0 BEADLP CN(C)c1cc(-c2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC000904851505 637507978 /nfs/dbraw/zinc/50/79/78/637507978.db2.gz SPRMKUAJIVFHAC-UHFFFAOYSA-N 2 2 239.322 2.418 20 0 BEADLP CCC(CC)(CCO)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000930349160 639724340 /nfs/dbraw/zinc/72/43/40/639724340.db2.gz IQAHKWSVKXGSFG-UHFFFAOYSA-N 2 2 239.363 2.057 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC000931278366 640128219 /nfs/dbraw/zinc/12/82/19/640128219.db2.gz AGTSXIONXOJCBX-FICVDOATSA-N 2 2 248.345 2.148 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CF)cc3)C[C@H]21 ZINC000931278366 640128221 /nfs/dbraw/zinc/12/82/21/640128221.db2.gz AGTSXIONXOJCBX-FICVDOATSA-N 2 2 248.345 2.148 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280271 640132201 /nfs/dbraw/zinc/13/22/01/640132201.db2.gz VOJSIFCYQYUSBL-BSLXNSKLSA-N 2 2 248.345 2.379 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280271 640132203 /nfs/dbraw/zinc/13/22/03/640132203.db2.gz VOJSIFCYQYUSBL-BSLXNSKLSA-N 2 2 248.345 2.379 20 0 BEADLP CC/C=C\CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517577 640247894 /nfs/dbraw/zinc/24/78/94/640247894.db2.gz CJVHWWIJYDDGQU-ARJAWSKDSA-N 2 2 231.343 2.378 20 0 BEADLP CC/C=C\CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517577 640247904 /nfs/dbraw/zinc/24/79/04/640247904.db2.gz CJVHWWIJYDDGQU-ARJAWSKDSA-N 2 2 231.343 2.378 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931623261 640292220 /nfs/dbraw/zinc/29/22/20/640292220.db2.gz YQJSRFMEDYGPOE-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931623261 640292223 /nfs/dbraw/zinc/29/22/23/640292223.db2.gz YQJSRFMEDYGPOE-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000931623261 640292228 /nfs/dbraw/zinc/29/22/28/640292228.db2.gz YQJSRFMEDYGPOE-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000931623261 640292232 /nfs/dbraw/zinc/29/22/32/640292232.db2.gz YQJSRFMEDYGPOE-RFGFWPKPSA-N 2 2 222.376 2.201 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000931718380 640335884 /nfs/dbraw/zinc/33/58/84/640335884.db2.gz QDFRWDKRCIPHCZ-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000931718380 640335890 /nfs/dbraw/zinc/33/58/90/640335890.db2.gz QDFRWDKRCIPHCZ-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000931718380 640335891 /nfs/dbraw/zinc/33/58/91/640335891.db2.gz QDFRWDKRCIPHCZ-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000931718380 640335896 /nfs/dbraw/zinc/33/58/96/640335896.db2.gz QDFRWDKRCIPHCZ-AIEDFZFUSA-N 2 2 234.387 2.201 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1C=CCCC1 ZINC000931726182 640338161 /nfs/dbraw/zinc/33/81/61/640338161.db2.gz DKDMDBKVHIXAPJ-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1C=CCCC1 ZINC000931726182 640338169 /nfs/dbraw/zinc/33/81/69/640338169.db2.gz DKDMDBKVHIXAPJ-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1C=CCCC1 ZINC000931726182 640338179 /nfs/dbraw/zinc/33/81/79/640338179.db2.gz DKDMDBKVHIXAPJ-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1C=CCCC1 ZINC000931726182 640338190 /nfs/dbraw/zinc/33/81/90/640338190.db2.gz DKDMDBKVHIXAPJ-HZSPNIEDSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1C=CCCC1 ZINC000931726184 640340705 /nfs/dbraw/zinc/34/07/05/640340705.db2.gz DKDMDBKVHIXAPJ-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@H]1C=CCCC1 ZINC000931726184 640340711 /nfs/dbraw/zinc/34/07/11/640340711.db2.gz DKDMDBKVHIXAPJ-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@H]1C=CCCC1 ZINC000931726184 640340716 /nfs/dbraw/zinc/34/07/16/640340716.db2.gz DKDMDBKVHIXAPJ-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@H]1C=CCCC1 ZINC000931726184 640340722 /nfs/dbraw/zinc/34/07/22/640340722.db2.gz DKDMDBKVHIXAPJ-MELADBBJSA-N 2 2 220.360 2.264 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[Si](C)(C)C ZINC000931726346 640341775 /nfs/dbraw/zinc/34/17/75/640341775.db2.gz HHDVJWZBBLSTMI-NWDGAFQWSA-N 2 2 226.440 2.032 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[Si](C)(C)C ZINC000931726346 640341783 /nfs/dbraw/zinc/34/17/83/640341783.db2.gz HHDVJWZBBLSTMI-NWDGAFQWSA-N 2 2 226.440 2.032 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[Si](C)(C)C ZINC000931726346 640341789 /nfs/dbraw/zinc/34/17/89/640341789.db2.gz HHDVJWZBBLSTMI-NWDGAFQWSA-N 2 2 226.440 2.032 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[Si](C)(C)C ZINC000931726346 640341793 /nfs/dbraw/zinc/34/17/93/640341793.db2.gz HHDVJWZBBLSTMI-NWDGAFQWSA-N 2 2 226.440 2.032 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccccc1 ZINC000931731220 640345271 /nfs/dbraw/zinc/34/52/71/640345271.db2.gz XEPPDECUDVKWFA-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccccc1 ZINC000931731220 640345274 /nfs/dbraw/zinc/34/52/74/640345274.db2.gz XEPPDECUDVKWFA-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC000931731220 640345277 /nfs/dbraw/zinc/34/52/77/640345277.db2.gz XEPPDECUDVKWFA-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000931731220 640345283 /nfs/dbraw/zinc/34/52/83/640345283.db2.gz XEPPDECUDVKWFA-LSDHHAIUSA-N 2 2 230.355 2.355 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167333170 640712718 /nfs/dbraw/zinc/71/27/18/640712718.db2.gz UGYIECAKBVJPKL-MNOVXSKESA-N 2 2 232.437 2.446 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742658 640758346 /nfs/dbraw/zinc/75/83/46/640758346.db2.gz QKBVMXVLFNUYCN-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933742658 640758348 /nfs/dbraw/zinc/75/83/48/640758348.db2.gz QKBVMXVLFNUYCN-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933742658 640758350 /nfs/dbraw/zinc/75/83/50/640758350.db2.gz QKBVMXVLFNUYCN-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933742658 640758352 /nfs/dbraw/zinc/75/83/52/640758352.db2.gz QKBVMXVLFNUYCN-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000157945593 640782331 /nfs/dbraw/zinc/78/23/31/640782331.db2.gz WNSFIEQAUXISBT-NEPJUHHUSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000157945445 640782582 /nfs/dbraw/zinc/78/25/82/640782582.db2.gz WNSFIEQAUXISBT-RYUDHWBXSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000168849626 640829203 /nfs/dbraw/zinc/82/92/03/640829203.db2.gz NAWZAOKYFVFZKD-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000227649225 640844049 /nfs/dbraw/zinc/84/40/49/640844049.db2.gz IWALOEDSWAOPKQ-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]1C1CCCC1 ZINC000227649225 640844053 /nfs/dbraw/zinc/84/40/53/640844053.db2.gz IWALOEDSWAOPKQ-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccc(F)c1)Cn1cc[nH+]c1 ZINC000062254665 641030504 /nfs/dbraw/zinc/03/05/04/641030504.db2.gz NXENEDMEXOXKFR-LBPRGKRZSA-N 2 2 247.317 2.448 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000040767382 641534516 /nfs/dbraw/zinc/53/45/16/641534516.db2.gz WQEXOAFNWBPDSM-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000043992846 641582644 /nfs/dbraw/zinc/58/26/44/641582644.db2.gz LYWYMGKQBNOWBK-CYBMUJFWSA-N 2 2 215.300 2.234 20 0 BEADLP CC(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000324391856 641792678 /nfs/dbraw/zinc/79/26/78/641792678.db2.gz NFIQUCHJAUWLKH-LBPRGKRZSA-N 2 2 221.348 2.297 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255302708 642461289 /nfs/dbraw/zinc/46/12/89/642461289.db2.gz FBKJTFZLKWFPJU-TXNVCOODSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255302708 642461294 /nfs/dbraw/zinc/46/12/94/642461294.db2.gz FBKJTFZLKWFPJU-TXNVCOODSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000255302708 642461297 /nfs/dbraw/zinc/46/12/97/642461297.db2.gz FBKJTFZLKWFPJU-TXNVCOODSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000255302708 642461310 /nfs/dbraw/zinc/46/13/10/642461310.db2.gz FBKJTFZLKWFPJU-TXNVCOODSA-N 2 2 230.783 2.403 20 0 BEADLP CC[N@H+](Cc1cc(C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071312381 643121251 /nfs/dbraw/zinc/12/12/51/643121251.db2.gz SBHOFWOLMAVIFR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1cc(C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071312381 643121255 /nfs/dbraw/zinc/12/12/55/643121255.db2.gz SBHOFWOLMAVIFR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312286 643121291 /nfs/dbraw/zinc/12/12/91/643121291.db2.gz VZLAHCCIUKZYRL-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312286 643121292 /nfs/dbraw/zinc/12/12/92/643121292.db2.gz VZLAHCCIUKZYRL-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000233892660 643256146 /nfs/dbraw/zinc/25/61/46/643256146.db2.gz OXXWZLAJNGQDFV-UKRRQHHQSA-N 2 2 248.370 2.488 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000234037786 643322417 /nfs/dbraw/zinc/32/24/17/643322417.db2.gz OXXWZLAJNGQDFV-ZFWWWQNUSA-N 2 2 248.370 2.488 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000050247103 643662571 /nfs/dbraw/zinc/66/25/71/643662571.db2.gz RKRCSHDMQGNZBA-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000050247103 643662574 /nfs/dbraw/zinc/66/25/74/643662574.db2.gz RKRCSHDMQGNZBA-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP CCCCCC[C@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923427025 644421919 /nfs/dbraw/zinc/42/19/19/644421919.db2.gz WXGSCYINCIQXQB-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC000923427025 644421923 /nfs/dbraw/zinc/42/19/23/644421923.db2.gz WXGSCYINCIQXQB-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923427024 644422744 /nfs/dbraw/zinc/42/27/44/644422744.db2.gz WXGSCYINCIQXQB-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC000923427024 644422747 /nfs/dbraw/zinc/42/27/47/644422747.db2.gz WXGSCYINCIQXQB-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000251778180 644822195 /nfs/dbraw/zinc/82/21/95/644822195.db2.gz FJVDITMYQVWMHY-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000252712295 644887681 /nfs/dbraw/zinc/88/76/81/644887681.db2.gz MAPOZWYJRRKPES-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000252712295 644887683 /nfs/dbraw/zinc/88/76/83/644887683.db2.gz MAPOZWYJRRKPES-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000252713539 644888433 /nfs/dbraw/zinc/88/84/33/644888433.db2.gz PLZAPXDHJIGWDW-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000252713539 644888438 /nfs/dbraw/zinc/88/84/38/644888438.db2.gz PLZAPXDHJIGWDW-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP C1CC12C[C@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926612631 645315193 /nfs/dbraw/zinc/31/51/93/645315193.db2.gz CCALEYHPWMNVGE-YNEHKIRRSA-N 2 2 220.360 2.145 20 0 BEADLP C1CC12C[C@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926612631 645315200 /nfs/dbraw/zinc/31/52/00/645315200.db2.gz CCALEYHPWMNVGE-YNEHKIRRSA-N 2 2 220.360 2.145 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CC=CC1 ZINC000926951952 645497908 /nfs/dbraw/zinc/49/79/08/645497908.db2.gz HLRCAXZNJPRGEA-SWLSCSKDSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CC=CC1 ZINC000926951952 645497915 /nfs/dbraw/zinc/49/79/15/645497915.db2.gz HLRCAXZNJPRGEA-SWLSCSKDSA-N 2 2 234.387 2.415 20 0 BEADLP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110998 645550979 /nfs/dbraw/zinc/55/09/79/645550979.db2.gz XVJPJICXRNQYNU-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927110998 645550983 /nfs/dbraw/zinc/55/09/83/645550983.db2.gz XVJPJICXRNQYNU-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC([NH+](C)C)CC2)c1 ZINC000929260993 646044095 /nfs/dbraw/zinc/04/40/95/646044095.db2.gz GRTSBWURJSXYDY-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(O)cc(F)c1 ZINC000924553152 646066175 /nfs/dbraw/zinc/06/61/75/646066175.db2.gz PRZCGGTVGOYYHG-JTQLQIEISA-N 2 2 249.289 2.079 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924790009 646107099 /nfs/dbraw/zinc/10/70/99/646107099.db2.gz DBYMELCQPSRMAX-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924790009 646107103 /nfs/dbraw/zinc/10/71/03/646107103.db2.gz DBYMELCQPSRMAX-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000924801902 646111087 /nfs/dbraw/zinc/11/10/87/646111087.db2.gz IGBXPSYARZVXDA-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000924801902 646111093 /nfs/dbraw/zinc/11/10/93/646111093.db2.gz IGBXPSYARZVXDA-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924903762 646128713 /nfs/dbraw/zinc/12/87/13/646128713.db2.gz LOWPMAOGQXEAPY-MJBXVCDLSA-N 2 2 222.376 2.271 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924903762 646128716 /nfs/dbraw/zinc/12/87/16/646128716.db2.gz LOWPMAOGQXEAPY-MJBXVCDLSA-N 2 2 222.376 2.271 20 0 BEADLP C[C@H](C[NH2+]C1CC2(C1)CCCC2)[NH+](C)C ZINC000924958668 646144156 /nfs/dbraw/zinc/14/41/56/646144156.db2.gz RBGFDBJHCRNBMT-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925009263 646156951 /nfs/dbraw/zinc/15/69/51/646156951.db2.gz BKOWTHHLGUAOSC-XZDPQHSOSA-N 2 2 246.398 2.415 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925009263 646156957 /nfs/dbraw/zinc/15/69/57/646156957.db2.gz BKOWTHHLGUAOSC-XZDPQHSOSA-N 2 2 246.398 2.415 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925014258 646158046 /nfs/dbraw/zinc/15/80/46/646158046.db2.gz ZRCLHRMHAYVVGL-OSRDXIQISA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925014258 646158049 /nfs/dbraw/zinc/15/80/49/646158049.db2.gz ZRCLHRMHAYVVGL-OSRDXIQISA-N 2 2 236.403 2.495 20 0 BEADLP CSCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925092980 646181517 /nfs/dbraw/zinc/18/15/17/646181517.db2.gz FSVQIRQMZPJTJS-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CSCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925092980 646181524 /nfs/dbraw/zinc/18/15/24/646181524.db2.gz FSVQIRQMZPJTJS-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP C(CC1CC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925482529 646294748 /nfs/dbraw/zinc/29/47/48/646294748.db2.gz VSJSQAMPALUONT-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925482529 646294751 /nfs/dbraw/zinc/29/47/51/646294751.db2.gz VSJSQAMPALUONT-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP CSCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925504803 646305705 /nfs/dbraw/zinc/30/57/05/646305705.db2.gz OXRKVYKZFQIAPU-DGCLKSJQSA-N 2 2 238.400 2.418 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000925577143 646344845 /nfs/dbraw/zinc/34/48/45/646344845.db2.gz OXVBDQGDGGRHQK-DVRWULTCSA-N 2 2 218.344 2.463 20 0 BEADLP FC1(F)CC([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925651651 646392319 /nfs/dbraw/zinc/39/23/19/646392319.db2.gz IKXGWXGEWFFVNL-SNVBAGLBSA-N 2 2 230.302 2.048 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925682096 646409436 /nfs/dbraw/zinc/40/94/36/646409436.db2.gz SONDXGADKILZOL-LBPRGKRZSA-N 2 2 236.384 2.431 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000925684947 646411242 /nfs/dbraw/zinc/41/12/42/646411242.db2.gz FDLDQBVIPWAOOB-KGYLQXTDSA-N 2 2 218.344 2.463 20 0 BEADLP COCC1CC([NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925730888 646453823 /nfs/dbraw/zinc/45/38/23/646453823.db2.gz XXEFSDQCYXKWKO-DGLGBPBLSA-N 2 2 248.370 2.090 20 0 BEADLP Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]2)c[nH+]c1C ZINC000925768828 646466720 /nfs/dbraw/zinc/46/67/20/646466720.db2.gz LGRBFHQXRDSYPI-YPMHNXCESA-N 2 2 219.332 2.251 20 0 BEADLP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])c[nH+]c1C ZINC000925768578 646469137 /nfs/dbraw/zinc/46/91/37/646469137.db2.gz KUMCPWRNTDYWOS-VHSXEESVSA-N 2 2 207.321 2.236 20 0 BEADLP Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)c[nH+]c1C ZINC000925768498 646469520 /nfs/dbraw/zinc/46/95/20/646469520.db2.gz JTEGFFGKCBHXQW-ZANVPECISA-N 2 2 219.332 2.108 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(F)c1 ZINC000925783865 646478764 /nfs/dbraw/zinc/47/87/64/646478764.db2.gz LMSZPPRCKABQSX-LERXQTSPSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783547 646479990 /nfs/dbraw/zinc/47/99/90/646479990.db2.gz DFKSXKFMYAMOAJ-OUAUKWLOSA-N 2 2 224.373 2.315 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925786997 646483697 /nfs/dbraw/zinc/48/36/97/646483697.db2.gz RPQGUYHHNRGQKL-TYNCELHUSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000925786889 646483776 /nfs/dbraw/zinc/48/37/76/646483776.db2.gz QPIYJAGFBZRTRZ-KCPJHIHWSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+]CC1([NH+](C)C)CCC1 ZINC000926236131 646602920 /nfs/dbraw/zinc/60/29/20/646602920.db2.gz AMOLPJUUZGJAGA-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccns1 ZINC000926451162 646641468 /nfs/dbraw/zinc/64/14/68/646641468.db2.gz WPBOFRKQLDPJQW-RKDXNWHRSA-N 2 2 248.355 2.074 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148760 712286518 /nfs/dbraw/zinc/28/65/18/712286518.db2.gz XUOZZMATUHLRKL-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148760 712286519 /nfs/dbraw/zinc/28/65/19/712286519.db2.gz XUOZZMATUHLRKL-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](CF)C1 ZINC000711459450 712304497 /nfs/dbraw/zinc/30/44/97/712304497.db2.gz CCJSKIPJKXFMAX-LLVKDONJSA-N 2 2 216.344 2.056 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](CF)C1 ZINC000711459450 712304498 /nfs/dbraw/zinc/30/44/98/712304498.db2.gz CCJSKIPJKXFMAX-LLVKDONJSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000379780213 712398997 /nfs/dbraw/zinc/39/89/97/712398997.db2.gz BZXSKLAPOGMFBU-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714375986 712485232 /nfs/dbraw/zinc/48/52/32/712485232.db2.gz XLLZVDQAFZHDLW-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714375986 712485233 /nfs/dbraw/zinc/48/52/33/712485233.db2.gz XLLZVDQAFZHDLW-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383106259 710977125 /nfs/dbraw/zinc/97/71/25/710977125.db2.gz DEXQLTQNYNYRQY-GOCOPAARSA-N 2 2 248.395 2.143 20 0 BEADLP C[N@H+](CCc1cccs1)C[C@H]([NH3+])CC(F)F ZINC000380617420 712902151 /nfs/dbraw/zinc/90/21/51/712902151.db2.gz ZRPWQRLVNYRURA-SECBINFHSA-N 2 2 248.342 2.205 20 0 BEADLP C[N@@H+](CCc1cccs1)C[C@H]([NH3+])CC(F)F ZINC000380617420 712902152 /nfs/dbraw/zinc/90/21/52/712902152.db2.gz ZRPWQRLVNYRURA-SECBINFHSA-N 2 2 248.342 2.205 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000388063076 711051657 /nfs/dbraw/zinc/05/16/57/711051657.db2.gz MLYBQUBSRBVBPL-ZDUSSCGKSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000388063076 711051659 /nfs/dbraw/zinc/05/16/59/711051659.db2.gz MLYBQUBSRBVBPL-ZDUSSCGKSA-N 2 2 218.344 2.164 20 0 BEADLP CC1(C)C[N@H+](CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000388053839 711051704 /nfs/dbraw/zinc/05/17/04/711051704.db2.gz IAWCZPBTWYTOTG-AWEZNQCLSA-N 2 2 232.371 2.288 20 0 BEADLP CC1(C)C[N@@H+](CCCc2ccccc2)C[C@@H]1[NH3+] ZINC000388053839 711051705 /nfs/dbraw/zinc/05/17/05/711051705.db2.gz IAWCZPBTWYTOTG-AWEZNQCLSA-N 2 2 232.371 2.288 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H]1C ZINC000389374334 711076860 /nfs/dbraw/zinc/07/68/60/711076860.db2.gz AARGANIYYQGDHI-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC1(C)CCC1 ZINC000389750040 711089809 /nfs/dbraw/zinc/08/98/09/711089809.db2.gz YONOOZKZYKQWKC-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC1(C)CCC1 ZINC000389750040 711089814 /nfs/dbraw/zinc/08/98/14/711089814.db2.gz YONOOZKZYKQWKC-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000389941446 711099403 /nfs/dbraw/zinc/09/94/03/711099403.db2.gz OSCQCEPTQFTVCM-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000389941446 711099407 /nfs/dbraw/zinc/09/94/07/711099407.db2.gz OSCQCEPTQFTVCM-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000390279621 711111789 /nfs/dbraw/zinc/11/17/89/711111789.db2.gz UVTDKGBECBDPKN-QIAWRQBBSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000390279621 711111793 /nfs/dbraw/zinc/11/17/93/711111793.db2.gz UVTDKGBECBDPKN-QIAWRQBBSA-N 2 2 216.328 2.123 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1cnc(Cl)s1)C1CC1 ZINC000393772832 711173637 /nfs/dbraw/zinc/17/36/37/711173637.db2.gz IFYATMGVYHORFG-JTQLQIEISA-N 2 2 245.779 2.014 20 0 BEADLP CSC(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000395378801 711209779 /nfs/dbraw/zinc/20/97/79/711209779.db2.gz QNNDLYKOYGHBAM-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CSC(C)(C)CC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000395378801 711209783 /nfs/dbraw/zinc/20/97/83/711209783.db2.gz QNNDLYKOYGHBAM-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000381469149 710640990 /nfs/dbraw/zinc/64/09/90/710640990.db2.gz MAOIOLKNGIASSD-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393244549 711155956 /nfs/dbraw/zinc/15/59/56/711155956.db2.gz QBZCIFLQTZUNFT-FQUUOJAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393244549 711155961 /nfs/dbraw/zinc/15/59/61/711155961.db2.gz QBZCIFLQTZUNFT-FQUUOJAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+](C)C ZINC000394337149 711190301 /nfs/dbraw/zinc/19/03/01/711190301.db2.gz YTAOENOOEOJPNI-YWPUVAFDSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396693475 711365368 /nfs/dbraw/zinc/36/53/68/711365368.db2.gz LUNHBWMRLBKOIG-ZFWWWQNUSA-N 2 2 248.370 2.104 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000386188597 711496851 /nfs/dbraw/zinc/49/68/51/711496851.db2.gz BKESIJXIILLXPT-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000386188597 711496853 /nfs/dbraw/zinc/49/68/53/711496853.db2.gz BKESIJXIILLXPT-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000723640637 711529621 /nfs/dbraw/zinc/52/96/21/711529621.db2.gz CXZDPOQQWMPFND-FUNVUKJBSA-N 2 2 249.358 2.006 20 0 BEADLP Cc1nc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000723640637 711529624 /nfs/dbraw/zinc/52/96/24/711529624.db2.gz CXZDPOQQWMPFND-FUNVUKJBSA-N 2 2 249.358 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCCCN1Cc1cc(C)cc(C)[nH+]1 ZINC000723846127 711539022 /nfs/dbraw/zinc/53/90/22/711539022.db2.gz NOGNOIZLGYLELF-OAHLLOKOSA-N 2 2 247.386 2.272 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000168419798 711633329 /nfs/dbraw/zinc/63/33/29/711633329.db2.gz JSKUZMRSHNHLMC-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000168419798 711633332 /nfs/dbraw/zinc/63/33/32/711633332.db2.gz JSKUZMRSHNHLMC-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925787897 711752073 /nfs/dbraw/zinc/75/20/73/711752073.db2.gz WRRTUQPYWOKHFC-GMTAPVOTSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCCC1 ZINC000224393026 711826786 /nfs/dbraw/zinc/82/67/86/711826786.db2.gz DOMQEAMHFPVLKD-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2ncccc12 ZINC000228128647 711833708 /nfs/dbraw/zinc/83/37/08/711833708.db2.gz SBJRNZCBFSUQHG-LBPRGKRZSA-N 2 2 243.354 2.275 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000229598263 711838514 /nfs/dbraw/zinc/83/85/14/711838514.db2.gz COKMHTDLHSXERR-WDEREUQCSA-N 2 2 244.342 2.126 20 0 BEADLP CC[N@@H+]1CC[C@H]1CNc1[nH+]c2ccccc2n1C ZINC000712606421 712437245 /nfs/dbraw/zinc/43/72/45/712437245.db2.gz NAGACDVTTBQNPH-NSHDSACASA-N 2 2 244.342 2.079 20 0 BEADLP CC[N@H+]1CC[C@H]1CNc1[nH+]c2ccccc2n1C ZINC000712606421 712437246 /nfs/dbraw/zinc/43/72/46/712437246.db2.gz NAGACDVTTBQNPH-NSHDSACASA-N 2 2 244.342 2.079 20 0 BEADLP Cc1ncccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713165642 712453517 /nfs/dbraw/zinc/45/35/17/712453517.db2.gz BCQSAJVHSJACIR-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ncccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713165642 712453518 /nfs/dbraw/zinc/45/35/18/712453518.db2.gz BCQSAJVHSJACIR-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000713491455 712462482 /nfs/dbraw/zinc/46/24/82/712462482.db2.gz RJWKOVFKQDRERF-IJWDBEHRSA-N 2 2 220.360 2.334 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000713491455 712462483 /nfs/dbraw/zinc/46/24/83/712462483.db2.gz RJWKOVFKQDRERF-IJWDBEHRSA-N 2 2 220.360 2.334 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000713491454 712462666 /nfs/dbraw/zinc/46/26/66/712462666.db2.gz RJWKOVFKQDRERF-DIABFLQPSA-N 2 2 220.360 2.334 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000713491454 712462667 /nfs/dbraw/zinc/46/26/67/712462667.db2.gz RJWKOVFKQDRERF-DIABFLQPSA-N 2 2 220.360 2.334 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000713491457 712462730 /nfs/dbraw/zinc/46/27/30/712462730.db2.gz RJWKOVFKQDRERF-QITAHTHBSA-N 2 2 220.360 2.334 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000713491457 712462731 /nfs/dbraw/zinc/46/27/31/712462731.db2.gz RJWKOVFKQDRERF-QITAHTHBSA-N 2 2 220.360 2.334 20 0 BEADLP C[N@H+](C[C@H]1CCC(C)(C)CO1)C1(C[NH3+])CCC1 ZINC000713584410 712466175 /nfs/dbraw/zinc/46/61/75/712466175.db2.gz FODHBPOHDOEDNM-GFCCVEGCSA-N 2 2 240.391 2.005 20 0 BEADLP C[N@@H+](C[C@H]1CCC(C)(C)CO1)C1(C[NH3+])CCC1 ZINC000713584410 712466176 /nfs/dbraw/zinc/46/61/76/712466176.db2.gz FODHBPOHDOEDNM-GFCCVEGCSA-N 2 2 240.391 2.005 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714375990 712485302 /nfs/dbraw/zinc/48/53/02/712485302.db2.gz XLLZVDQAFZHDLW-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC(C)(C)O1 ZINC000714375990 712485303 /nfs/dbraw/zinc/48/53/03/712485303.db2.gz XLLZVDQAFZHDLW-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccns1 ZINC000715920755 712542813 /nfs/dbraw/zinc/54/28/13/712542813.db2.gz NYCJLJZFLFXNBK-UWVGGRQHSA-N 2 2 227.377 2.134 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153920 712549597 /nfs/dbraw/zinc/54/95/97/712549597.db2.gz WLPKXPZAPFMOHK-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)C ZINC000037220375 712553286 /nfs/dbraw/zinc/55/32/86/712553286.db2.gz UHZNFJKPLGIAQO-NSHDSACASA-N 2 2 200.370 2.351 20 0 BEADLP Cc1coc(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000718053312 712739554 /nfs/dbraw/zinc/73/95/54/712739554.db2.gz PQOSWNUNWJJKSJ-NSHDSACASA-N 2 2 210.321 2.018 20 0 BEADLP Cc1coc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000718134244 712747808 /nfs/dbraw/zinc/74/78/08/712747808.db2.gz YCAMSPVXOJVHCP-GFCCVEGCSA-N 2 2 234.343 2.162 20 0 BEADLP Cc1coc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000718134244 712747809 /nfs/dbraw/zinc/74/78/09/712747809.db2.gz YCAMSPVXOJVHCP-GFCCVEGCSA-N 2 2 234.343 2.162 20 0 BEADLP c1ccc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000720916140 712878292 /nfs/dbraw/zinc/87/82/92/712878292.db2.gz XZFPXNFHIFMMTO-LSDHHAIUSA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000720916140 712878295 /nfs/dbraw/zinc/87/82/95/712878295.db2.gz XZFPXNFHIFMMTO-LSDHHAIUSA-N 2 2 230.355 2.055 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000720921172 712878334 /nfs/dbraw/zinc/87/83/34/712878334.db2.gz YTRAHBUTXXPQFN-QJPTWQEYSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000720921172 712878335 /nfs/dbraw/zinc/87/83/35/712878335.db2.gz YTRAHBUTXXPQFN-QJPTWQEYSA-N 2 2 244.329 2.248 20 0 BEADLP Cc1c[nH+]cc(N[C@H](C)C[NH+](C)C)c1C ZINC001163776734 965581666 /nfs/dbraw/zinc/58/16/66/965581666.db2.gz JCNKWCOADJJKGB-SNVBAGLBSA-N 2 2 207.321 2.060 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(F)cc1 ZINC001205064815 967320516 /nfs/dbraw/zinc/32/05/16/967320516.db2.gz WMTQNRJOEWXBFD-GWCFXTLKSA-N 2 2 222.307 2.137 20 0 BEADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc[nH+]1 ZINC001162446368 967840509 /nfs/dbraw/zinc/84/05/09/967840509.db2.gz DLIJRTNVRIEPEB-NEPJUHHUSA-N 2 2 219.332 2.129 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711191599 968000933 /nfs/dbraw/zinc/00/09/33/968000933.db2.gz GNCYHNLQTYQHFR-RVMXOQNASA-N 2 2 210.365 2.105 20 0 BEADLP CS[C@H](C)CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334963 968237805 /nfs/dbraw/zinc/23/78/05/968237805.db2.gz BIVFUTXTSFMPHV-NEPJUHHUSA-N 2 2 248.411 2.281 20 0 BEADLP CS[C@H](C)CC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334963 968237815 /nfs/dbraw/zinc/23/78/15/968237815.db2.gz BIVFUTXTSFMPHV-NEPJUHHUSA-N 2 2 248.411 2.281 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250089642 1166111294 /nfs/dbraw/zinc/11/12/94/1166111294.db2.gz SQGCYVDICKSZAO-DZGCQCFKSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000250089642 1166111295 /nfs/dbraw/zinc/11/12/95/1166111295.db2.gz SQGCYVDICKSZAO-DZGCQCFKSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250122602 1166164538 /nfs/dbraw/zinc/16/45/38/1166164538.db2.gz TZBUGDAKHMXSHX-ZFWWWQNUSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000250122602 1166164540 /nfs/dbraw/zinc/16/45/40/1166164540.db2.gz TZBUGDAKHMXSHX-ZFWWWQNUSA-N 2 2 248.345 2.400 20 0 BEADLP [NH3+]CCc1[nH+]ccn1C1CCCCCC1 ZINC000129614489 1166205827 /nfs/dbraw/zinc/20/58/27/1166205827.db2.gz QCTDMAJVNIRGQN-UHFFFAOYSA-N 2 2 207.321 2.280 20 0 BEADLP CS[C@H](C)CC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208151182 969075756 /nfs/dbraw/zinc/07/57/56/969075756.db2.gz SYVHKGRQADSZJL-AGIUHOORSA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208151182 969075771 /nfs/dbraw/zinc/07/57/71/969075771.db2.gz SYVHKGRQADSZJL-AGIUHOORSA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001208151182 969075780 /nfs/dbraw/zinc/07/57/80/969075780.db2.gz SYVHKGRQADSZJL-AGIUHOORSA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001208151182 969075788 /nfs/dbraw/zinc/07/57/88/969075788.db2.gz SYVHKGRQADSZJL-AGIUHOORSA-N 2 2 242.432 2.154 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](CCCC(C)C)C2 ZINC001208735337 969221367 /nfs/dbraw/zinc/22/13/67/969221367.db2.gz XIJLKYWNQWWYIR-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](CCCC(C)C)C2 ZINC001208735337 969221376 /nfs/dbraw/zinc/22/13/76/969221376.db2.gz XIJLKYWNQWWYIR-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP CCC(CC)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000250371642 1166391801 /nfs/dbraw/zinc/39/18/01/1166391801.db2.gz ACQKVJSSFSHPGF-ZDUSSCGKSA-N 2 2 210.365 2.345 20 0 BEADLP CCC(CC)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000250371642 1166391806 /nfs/dbraw/zinc/39/18/06/1166391806.db2.gz ACQKVJSSFSHPGF-ZDUSSCGKSA-N 2 2 210.365 2.345 20 0 BEADLP CCC(CC)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250371642 1166391813 /nfs/dbraw/zinc/39/18/13/1166391813.db2.gz ACQKVJSSFSHPGF-ZDUSSCGKSA-N 2 2 210.365 2.345 20 0 BEADLP CCC(CC)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000250371642 1166391826 /nfs/dbraw/zinc/39/18/26/1166391826.db2.gz ACQKVJSSFSHPGF-ZDUSSCGKSA-N 2 2 210.365 2.345 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209730650 969584137 /nfs/dbraw/zinc/58/41/37/969584137.db2.gz HORMOPBIOHJZLA-GFCCVEGCSA-N 2 2 219.332 2.259 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209730650 969584141 /nfs/dbraw/zinc/58/41/41/969584141.db2.gz HORMOPBIOHJZLA-GFCCVEGCSA-N 2 2 219.332 2.259 20 0 BEADLP CC[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730778 969586803 /nfs/dbraw/zinc/58/68/03/969586803.db2.gz IPXSNPQQFBSBRS-LLVKDONJSA-N 2 2 219.332 2.116 20 0 BEADLP CC[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730778 969586806 /nfs/dbraw/zinc/58/68/06/969586806.db2.gz IPXSNPQQFBSBRS-LLVKDONJSA-N 2 2 219.332 2.116 20 0 BEADLP Cc1c[nH+]cc(Nc2c[nH+]cn2C)c1C ZINC001213524701 970344586 /nfs/dbraw/zinc/34/45/86/970344586.db2.gz FACSCXKPCLDNQH-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnoc1C ZINC001255941342 970567920 /nfs/dbraw/zinc/56/79/20/970567920.db2.gz ORVDXTLZDXOULE-LLVKDONJSA-N 2 2 239.363 2.193 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]CC(=O)C(C)(C)C ZINC001255943430 970577793 /nfs/dbraw/zinc/57/77/93/970577793.db2.gz MSGIBKHKRGVCJG-LBPRGKRZSA-N 2 2 242.407 2.312 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCCCC1=O ZINC001255948336 970582551 /nfs/dbraw/zinc/58/25/51/970582551.db2.gz JWYGIZMCIWPBEA-OLZOCXBDSA-N 2 2 240.391 2.208 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001255955781 970594847 /nfs/dbraw/zinc/59/48/47/970594847.db2.gz DONXYSDLRDRDHS-AGIUHOORSA-N 2 2 230.371 2.397 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001255955781 970594858 /nfs/dbraw/zinc/59/48/58/970594858.db2.gz DONXYSDLRDRDHS-AGIUHOORSA-N 2 2 230.371 2.397 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072781 970631501 /nfs/dbraw/zinc/63/15/01/970631501.db2.gz HSHAGWFBYQERKG-MNOVXSKESA-N 2 2 226.339 2.046 20 0 BEADLP CC1CC([N@H+](C)C2CC[NH+](C3CC3)CC2)C1 ZINC001256073385 970643098 /nfs/dbraw/zinc/64/30/98/970643098.db2.gz TZXCZCPDUAUGFF-UHFFFAOYSA-N 2 2 222.376 2.344 20 0 BEADLP CC1CC([N@@H+](C)C2CC[NH+](C3CC3)CC2)C1 ZINC001256073385 970643105 /nfs/dbraw/zinc/64/31/05/970643105.db2.gz TZXCZCPDUAUGFF-UHFFFAOYSA-N 2 2 222.376 2.344 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167949543 1167005963 /nfs/dbraw/zinc/00/59/63/1167005963.db2.gz XJPMOISGCKKAFF-ITGUQSILSA-N 2 2 219.332 2.004 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167949543 1167005969 /nfs/dbraw/zinc/00/59/69/1167005969.db2.gz XJPMOISGCKKAFF-ITGUQSILSA-N 2 2 219.332 2.004 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1C ZINC001204763961 1167185319 /nfs/dbraw/zinc/18/53/19/1167185319.db2.gz UODXYPHUEFMSER-OAHLLOKOSA-N 2 2 248.370 2.235 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1C ZINC001204763961 1167185326 /nfs/dbraw/zinc/18/53/26/1167185326.db2.gz UODXYPHUEFMSER-OAHLLOKOSA-N 2 2 248.370 2.235 20 0 BEADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cs1 ZINC000385334080 1167390606 /nfs/dbraw/zinc/39/06/06/1167390606.db2.gz LDTKEFMRXCVWCH-UHFFFAOYSA-N 2 2 224.373 2.370 20 0 BEADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cs1 ZINC000385334080 1167390607 /nfs/dbraw/zinc/39/06/07/1167390607.db2.gz LDTKEFMRXCVWCH-UHFFFAOYSA-N 2 2 224.373 2.370 20 0 BEADLP C[NH2+]C1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC000385784780 1167428496 /nfs/dbraw/zinc/42/84/96/1167428496.db2.gz YAZNCMUAJZFFHV-OAHLLOKOSA-N 2 2 248.345 2.497 20 0 BEADLP Cc1[nH]c2ccc(OC3CC[NH+](C)CC3)cc2[nH+]1 ZINC000168524054 1167464873 /nfs/dbraw/zinc/46/48/73/1167464873.db2.gz CKAFDRSYLUTQQK-UHFFFAOYSA-N 2 2 245.326 2.344 20 0 BEADLP Cc1cc(C)[nH+]c(NC2=CCC[N@@H+](C)C2)c1 ZINC001175572285 977563225 /nfs/dbraw/zinc/56/32/25/977563225.db2.gz DSUIAGRJIPEEKJ-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1cc(C)[nH+]c(NC2=CCC[N@H+](C)C2)c1 ZINC001175572285 977563230 /nfs/dbraw/zinc/56/32/30/977563230.db2.gz DSUIAGRJIPEEKJ-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP CCC[N@H+](C[C@H]1CCC[NH2+]1)C[C@H]1CCCCO1 ZINC000300145067 1167673637 /nfs/dbraw/zinc/67/36/37/1167673637.db2.gz UTONIUULAUYHEM-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[N@@H+](C[C@H]1CCC[NH2+]1)C[C@H]1CCCCO1 ZINC000300145067 1167673642 /nfs/dbraw/zinc/67/36/42/1167673642.db2.gz UTONIUULAUYHEM-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642978 978861989 /nfs/dbraw/zinc/86/19/89/978861989.db2.gz PLEGCUOLAORZRG-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP C/C(=C\C=C\[NH3+])N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168548152 1168272886 /nfs/dbraw/zinc/27/28/86/1168272886.db2.gz DHWSAKDGRQADOD-DCDVXKNUSA-N 2 2 243.354 2.315 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC001236865846 979771684 /nfs/dbraw/zinc/77/16/84/979771684.db2.gz QVKQTYQAYKMIQM-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC001236865846 979771688 /nfs/dbraw/zinc/77/16/88/979771688.db2.gz QVKQTYQAYKMIQM-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CCCC[C@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651386 1168657363 /nfs/dbraw/zinc/65/73/63/1168657363.db2.gz DDGAPVFOVYRBJT-RWMBFGLXSA-N 2 2 210.365 2.378 20 0 BEADLP CCCC[C@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246651386 1168657366 /nfs/dbraw/zinc/65/73/66/1168657366.db2.gz DDGAPVFOVYRBJT-RWMBFGLXSA-N 2 2 210.365 2.378 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717049515 1168912065 /nfs/dbraw/zinc/91/20/65/1168912065.db2.gz SPGNXSNNJTUBRG-LPEHRKFASA-N 2 2 238.297 2.244 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717049515 1168912071 /nfs/dbraw/zinc/91/20/71/1168912071.db2.gz SPGNXSNNJTUBRG-LPEHRKFASA-N 2 2 238.297 2.244 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)c1C ZINC000110926772 1168983730 /nfs/dbraw/zinc/98/37/30/1168983730.db2.gz UTAFLRTUHHEWEQ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)c1C ZINC000110926772 1168983737 /nfs/dbraw/zinc/98/37/37/1168983737.db2.gz UTAFLRTUHHEWEQ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CCc1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000110925968 1168983967 /nfs/dbraw/zinc/98/39/67/1168983967.db2.gz MCYSTDBUIVZTSI-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000110925968 1168983975 /nfs/dbraw/zinc/98/39/75/1168983975.db2.gz MCYSTDBUIVZTSI-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP Clc1ccc2c(c1)C[N@H+](C1CC[NH2+]CC1)C2 ZINC000058012161 1169155489 /nfs/dbraw/zinc/15/54/89/1169155489.db2.gz OMXQYJMCGXHCNF-UHFFFAOYSA-N 2 2 236.746 2.408 20 0 BEADLP Clc1ccc2c(c1)C[N@@H+](C1CC[NH2+]CC1)C2 ZINC000058012161 1169155493 /nfs/dbraw/zinc/15/54/93/1169155493.db2.gz OMXQYJMCGXHCNF-UHFFFAOYSA-N 2 2 236.746 2.408 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256201697 1169281830 /nfs/dbraw/zinc/28/18/30/1169281830.db2.gz KZRHINMURRVZRS-OAHLLOKOSA-N 2 2 245.370 2.313 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256201697 1169281835 /nfs/dbraw/zinc/28/18/35/1169281835.db2.gz KZRHINMURRVZRS-OAHLLOKOSA-N 2 2 245.370 2.313 20 0 BEADLP CC[C@H](CC(C)C)[NH2+]CCc1[nH+]ccn1C ZINC001172398631 974757962 /nfs/dbraw/zinc/75/79/62/974757962.db2.gz GTOMBRBHPDNAEM-GFCCVEGCSA-N 2 2 223.364 2.377 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@@H+](C2CCSCC2)C1 ZINC001246582796 972947710 /nfs/dbraw/zinc/94/77/10/972947710.db2.gz TXJDNKAYCWBVKW-GFCCVEGCSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@H+](C2CCSCC2)C1 ZINC001246582796 972947716 /nfs/dbraw/zinc/94/77/16/972947716.db2.gz TXJDNKAYCWBVKW-GFCCVEGCSA-N 2 2 246.395 2.035 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccccn1 ZINC001256396760 970804197 /nfs/dbraw/zinc/80/41/97/970804197.db2.gz JZNUKIWYCGNQLD-UONOGXRCSA-N 2 2 247.386 2.087 20 0 BEADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCc1ccc(F)cc1)C2 ZINC001276733819 970905730 /nfs/dbraw/zinc/90/57/30/970905730.db2.gz BFTRQMJZKFNTCB-HIFRSBDPSA-N 2 2 248.345 2.004 20 0 BEADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCc1ccc(F)cc1)C2 ZINC001276733819 970905743 /nfs/dbraw/zinc/90/57/43/970905743.db2.gz BFTRQMJZKFNTCB-HIFRSBDPSA-N 2 2 248.345 2.004 20 0 BEADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCc1ccc(F)cc1)C2 ZINC001276733819 970905754 /nfs/dbraw/zinc/90/57/54/970905754.db2.gz BFTRQMJZKFNTCB-HIFRSBDPSA-N 2 2 248.345 2.004 20 0 BEADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc(F)cc1)C2 ZINC001276733819 970905756 /nfs/dbraw/zinc/90/57/56/970905756.db2.gz BFTRQMJZKFNTCB-HIFRSBDPSA-N 2 2 248.345 2.004 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001256720869 970941631 /nfs/dbraw/zinc/94/16/31/970941631.db2.gz ZZSOBSSSXNSQTC-KBPBESRZSA-N 2 2 247.386 2.087 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403597062 970989045 /nfs/dbraw/zinc/98/90/45/970989045.db2.gz ZXEIAZRMEJEFCD-HYWTVENDSA-N 2 2 240.416 2.097 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403597062 970989051 /nfs/dbraw/zinc/98/90/51/970989051.db2.gz ZXEIAZRMEJEFCD-HYWTVENDSA-N 2 2 240.416 2.097 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH2+]C2CC2)[C@@H](CC)CO1 ZINC000404096616 971121986 /nfs/dbraw/zinc/12/19/86/971121986.db2.gz RWKAMOSWCLGDOE-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH2+]C2CC2)[C@@H](CC)CO1 ZINC000404096616 971121989 /nfs/dbraw/zinc/12/19/89/971121989.db2.gz RWKAMOSWCLGDOE-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC(CCC)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001257335259 971244697 /nfs/dbraw/zinc/24/46/97/971244697.db2.gz QNDLKUKJMMPGJG-AWEZNQCLSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC(CCC)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001257335259 971244704 /nfs/dbraw/zinc/24/47/04/971244704.db2.gz QNDLKUKJMMPGJG-AWEZNQCLSA-N 2 2 242.407 2.218 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257345738 971254011 /nfs/dbraw/zinc/25/40/11/971254011.db2.gz JVXRWFAUXVKNBG-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257345738 971254021 /nfs/dbraw/zinc/25/40/21/971254021.db2.gz JVXRWFAUXVKNBG-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000405830701 971311193 /nfs/dbraw/zinc/31/11/93/971311193.db2.gz NJYQINQOIJHWQC-AWEZNQCLSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000405830701 971311201 /nfs/dbraw/zinc/31/12/01/971311201.db2.gz NJYQINQOIJHWQC-AWEZNQCLSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000405817622 971311542 /nfs/dbraw/zinc/31/15/42/971311542.db2.gz JABUDYOTYXQMGM-OAHLLOKOSA-N 2 2 230.355 2.098 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000405817622 971311551 /nfs/dbraw/zinc/31/15/51/971311551.db2.gz JABUDYOTYXQMGM-OAHLLOKOSA-N 2 2 230.355 2.098 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000405830704 971312327 /nfs/dbraw/zinc/31/23/27/971312327.db2.gz NJYQINQOIJHWQC-CQSZACIVSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000405830704 971312335 /nfs/dbraw/zinc/31/23/35/971312335.db2.gz NJYQINQOIJHWQC-CQSZACIVSA-N 2 2 229.327 2.091 20 0 BEADLP CCCC[C@@H](CC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001257418024 971315596 /nfs/dbraw/zinc/31/55/96/971315596.db2.gz KCOYUYOXVQNJFK-CYBMUJFWSA-N 2 2 242.407 2.002 20 0 BEADLP c1cn2cc(C[NH2+][C@@H]3CCCSC3)ccc2[nH+]1 ZINC001257666785 971466848 /nfs/dbraw/zinc/46/68/48/971466848.db2.gz ABNOOCCEXUEOQB-GFCCVEGCSA-N 2 2 247.367 2.320 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001172319840 974531352 /nfs/dbraw/zinc/53/13/52/974531352.db2.gz TZUZKHXVZQHODN-VXGBXAGGSA-N 2 2 239.363 2.151 20 0 BEADLP Cc1cc(NCC[C@@H](C)[NH3+])ccc1[NH+](C)C ZINC001170890390 972042389 /nfs/dbraw/zinc/04/23/89/972042389.db2.gz JVYAYTKKWHHBEM-LLVKDONJSA-N 2 2 221.348 2.210 20 0 BEADLP C[C@@H]([NH3+])CCNc1cccc(-c2c[nH+]cn2C)c1 ZINC001170890991 972043575 /nfs/dbraw/zinc/04/35/75/972043575.db2.gz ROKXBEQPRAFZPX-LLVKDONJSA-N 2 2 244.342 2.236 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(C)C ZINC000190756988 972053532 /nfs/dbraw/zinc/05/35/32/972053532.db2.gz NDMSSXCJEVTGHL-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(C)C ZINC000190756988 972053536 /nfs/dbraw/zinc/05/35/36/972053536.db2.gz NDMSSXCJEVTGHL-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246086521 972141402 /nfs/dbraw/zinc/14/14/02/972141402.db2.gz CYNRMLKHCOIEPS-ZIAGYGMSSA-N 2 2 242.407 2.313 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246228979 972233771 /nfs/dbraw/zinc/23/37/71/972233771.db2.gz IZVNAZQQSJNWTQ-SMDDNHRTSA-N 2 2 243.354 2.398 20 0 BEADLP CC(C)c1nc(C[NH2+]CCC(C)(C)[NH3+])cs1 ZINC000705572593 957343384 /nfs/dbraw/zinc/34/33/84/957343384.db2.gz MKWWLEIPUCICCU-UHFFFAOYSA-N 2 2 241.404 2.484 20 0 BEADLP CCCCc1nc(N[C@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001167272707 957616452 /nfs/dbraw/zinc/61/64/52/957616452.db2.gz ANYNNUCAIKTDED-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP COc1cc(Nc2c[nH+]c(C)n2C)cc(C)[nH+]1 ZINC001210780218 957878738 /nfs/dbraw/zinc/87/87/38/957878738.db2.gz KRKCBJIXORWWPI-UHFFFAOYSA-N 2 2 232.287 2.184 20 0 BEADLP Cn1c[nH+]cc1Nc1cccc2[nH+]cn(C)c21 ZINC001211251787 958120622 /nfs/dbraw/zinc/12/06/22/958120622.db2.gz PBLRNWHCYCSVDR-UHFFFAOYSA-N 2 2 227.271 2.050 20 0 BEADLP Nc1cc(CNc2c[nH+]cc3cc[nH]c32)cc[nH+]1 ZINC001167617066 959086217 /nfs/dbraw/zinc/08/62/17/959086217.db2.gz FWLCLKLDFSDBST-UHFFFAOYSA-N 2 2 239.282 2.152 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1C ZINC001222242918 972419517 /nfs/dbraw/zinc/41/95/17/972419517.db2.gz HZVVHGYPCRYQKS-HNNXBMFYSA-N 2 2 247.386 2.350 20 0 BEADLP Cc1c[nH]c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1C ZINC001222242918 972419527 /nfs/dbraw/zinc/41/95/27/972419527.db2.gz HZVVHGYPCRYQKS-HNNXBMFYSA-N 2 2 247.386 2.350 20 0 BEADLP COc1cccc(C[C@H](C)[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001246528726 972425392 /nfs/dbraw/zinc/42/53/92/972425392.db2.gz HHHCQOYZUNTFAQ-SWLSCSKDSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@H](C)[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001246528726 972425405 /nfs/dbraw/zinc/42/54/05/972425405.db2.gz HHHCQOYZUNTFAQ-SWLSCSKDSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@@H](C)[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001246528725 972426491 /nfs/dbraw/zinc/42/64/91/972426491.db2.gz HHHCQOYZUNTFAQ-IUODEOHRSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@@H](C)[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001246528725 972426504 /nfs/dbraw/zinc/42/65/04/972426504.db2.gz HHHCQOYZUNTFAQ-IUODEOHRSA-N 2 2 248.370 2.049 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000695768931 960444908 /nfs/dbraw/zinc/44/49/08/960444908.db2.gz CUYMFGPCQHFXGX-LBPRGKRZSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000709280335 960467873 /nfs/dbraw/zinc/46/78/73/960467873.db2.gz FBRVLRDNKNPCJE-INTQDDNPSA-N 2 2 239.388 2.243 20 0 BEADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140708133 960518659 /nfs/dbraw/zinc/51/86/59/960518659.db2.gz PUUWMTBYXIMVOY-UHFFFAOYSA-N 2 2 247.386 2.465 20 0 BEADLP CC1(C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCO1 ZINC001140799763 960578837 /nfs/dbraw/zinc/57/88/37/960578837.db2.gz LFPQQIIQGTVDRQ-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP CC1(C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCO1 ZINC001140799763 960578858 /nfs/dbraw/zinc/57/88/58/960578858.db2.gz LFPQQIIQGTVDRQ-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP C[C@H]1COCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802494 960591833 /nfs/dbraw/zinc/59/18/33/960591833.db2.gz WZHCSGDNBHXCTG-LLVKDONJSA-N 2 2 245.326 2.031 20 0 BEADLP C[C@H]1COCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802494 960591850 /nfs/dbraw/zinc/59/18/50/960591850.db2.gz WZHCSGDNBHXCTG-LLVKDONJSA-N 2 2 245.326 2.031 20 0 BEADLP CC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236793 961011304 /nfs/dbraw/zinc/01/13/04/961011304.db2.gz JFHJZHHNCCIQFR-UHFFFAOYSA-N 2 2 215.300 2.324 20 0 BEADLP CC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236793 961011328 /nfs/dbraw/zinc/01/13/28/961011328.db2.gz JFHJZHHNCCIQFR-UHFFFAOYSA-N 2 2 215.300 2.324 20 0 BEADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC001141238663 961015080 /nfs/dbraw/zinc/01/50/80/961015080.db2.gz PNCXSFAIGDWEOF-UHFFFAOYSA-N 2 2 227.311 2.467 20 0 BEADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC001141238663 961015103 /nfs/dbraw/zinc/01/51/03/961015103.db2.gz PNCXSFAIGDWEOF-UHFFFAOYSA-N 2 2 227.311 2.467 20 0 BEADLP Cc1nc(NC2C[NH+](C(C)C)C2)cc(C(C)C)[nH+]1 ZINC000709819835 961635044 /nfs/dbraw/zinc/63/50/44/961635044.db2.gz RDYLEERZUOXAOI-UHFFFAOYSA-N 2 2 248.374 2.413 20 0 BEADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911271 961815224 /nfs/dbraw/zinc/81/52/24/961815224.db2.gz AVORQIMYLWRWJJ-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911271 961815228 /nfs/dbraw/zinc/81/52/28/961815228.db2.gz AVORQIMYLWRWJJ-CRWXNKLISA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911273 961817308 /nfs/dbraw/zinc/81/73/08/961817308.db2.gz AVORQIMYLWRWJJ-RFQIPJPRSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911273 961817315 /nfs/dbraw/zinc/81/73/15/961817315.db2.gz AVORQIMYLWRWJJ-RFQIPJPRSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167937775 962128099 /nfs/dbraw/zinc/12/80/99/962128099.db2.gz ADIMXXCGNJMKCG-IMRBUKKESA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167937775 962128105 /nfs/dbraw/zinc/12/81/05/962128105.db2.gz ADIMXXCGNJMKCG-IMRBUKKESA-N 2 2 222.376 2.201 20 0 BEADLP c1cn([C@H]2C[C@H]3C[C@H]3C2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001167951141 962659506 /nfs/dbraw/zinc/65/95/06/962659506.db2.gz GRHASIFHVIGCMZ-WUHRBBMRSA-N 2 2 231.343 2.321 20 0 BEADLP C[N@H+](CCF)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168008295 963271385 /nfs/dbraw/zinc/27/13/85/963271385.db2.gz XDHFGINBDGZTCY-PBWFPOADSA-N 2 2 240.366 2.293 20 0 BEADLP C[N@@H+](CCF)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168008295 963271393 /nfs/dbraw/zinc/27/13/93/963271393.db2.gz XDHFGINBDGZTCY-PBWFPOADSA-N 2 2 240.366 2.293 20 0 BEADLP C[NH+](CCF)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168008295 963271400 /nfs/dbraw/zinc/27/14/00/963271400.db2.gz XDHFGINBDGZTCY-PBWFPOADSA-N 2 2 240.366 2.293 20 0 BEADLP C[NH+](CCF)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168008295 963271410 /nfs/dbraw/zinc/27/14/10/963271410.db2.gz XDHFGINBDGZTCY-PBWFPOADSA-N 2 2 240.366 2.293 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001204771440 963404382 /nfs/dbraw/zinc/40/43/82/963404382.db2.gz NDRYJTZHBCOYJP-CQSZACIVSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001204771440 963404388 /nfs/dbraw/zinc/40/43/88/963404388.db2.gz NDRYJTZHBCOYJP-CQSZACIVSA-N 2 2 229.327 2.091 20 0 BEADLP Cn1ccc2cc(C[NH+]3CC[C@](C)([NH3+])C3)ccc21 ZINC001204783993 963550226 /nfs/dbraw/zinc/55/02/26/963550226.db2.gz XHRCCWIUCYWMSO-HNNXBMFYSA-N 2 2 243.354 2.101 20 0 BEADLP CC(C)Oc1cc[nH+]c(NC2C[NH+](C(C)C)C2)c1 ZINC001157530867 963642551 /nfs/dbraw/zinc/64/25/51/963642551.db2.gz GKDXMZISDSXQMA-UHFFFAOYSA-N 2 2 249.358 2.373 20 0 BEADLP CCC1(Nc2cc(C)[nH+]c(C(C)(C)C)n2)C[NH2+]C1 ZINC001157787330 963726209 /nfs/dbraw/zinc/72/62/09/963726209.db2.gz FFLIECLJJCKJOH-UHFFFAOYSA-N 2 2 248.374 2.246 20 0 BEADLP Cc1c(F)cc[nH+]c1N1CCC[C@@](C)(C[NH3+])C1 ZINC001158678132 963900985 /nfs/dbraw/zinc/90/09/85/963900985.db2.gz CLJWSBBSCJUUSE-ZDUSSCGKSA-N 2 2 237.322 2.094 20 0 BEADLP Cc1nc(-n2ccc(C[NH3+])c2)cc(C(C)C)[nH+]1 ZINC001158763415 963916957 /nfs/dbraw/zinc/91/69/57/963916957.db2.gz DRVCADYZEURZCN-UHFFFAOYSA-N 2 2 230.315 2.158 20 0 BEADLP Clc1ccc2[nH+]ccc(NC3=CC[NH2+]C3)c2c1 ZINC001159154457 964008288 /nfs/dbraw/zinc/00/82/88/964008288.db2.gz URAOLOJSWFNGFZ-UHFFFAOYSA-N 2 2 245.713 2.209 20 0 BEADLP CS[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000689761163 964134978 /nfs/dbraw/zinc/13/49/78/964134978.db2.gz AWSOSONYASPISK-ZYHUDNBSSA-N 2 2 239.388 2.102 20 0 BEADLP CCSc1cc[nH+]c(NC/C=C/C[NH3+])c1 ZINC001160982046 964466983 /nfs/dbraw/zinc/46/69/83/964466983.db2.gz BFCDRFXSJXPHKA-ONEGZZNKSA-N 2 2 223.345 2.120 20 0 BEADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C3CCC3)C2)c(N)c1 ZINC001161176727 964548165 /nfs/dbraw/zinc/54/81/65/964548165.db2.gz BUSUDQBVQUVCBU-NSHDSACASA-N 2 2 246.358 2.011 20 0 BEADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](C3CCC3)C2)c(N)c1 ZINC001161176727 964548171 /nfs/dbraw/zinc/54/81/71/964548171.db2.gz BUSUDQBVQUVCBU-NSHDSACASA-N 2 2 246.358 2.011 20 0 BEADLP CC(C)n1c[nH+]cc1CNc1cccc(N)[nH+]1 ZINC001161563176 964643737 /nfs/dbraw/zinc/64/37/37/964643737.db2.gz RAAZBLMIQOWIOO-UHFFFAOYSA-N 2 2 231.303 2.053 20 0 BEADLP COc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697919582 964680147 /nfs/dbraw/zinc/68/01/47/964680147.db2.gz HYNLFNXRIVSEFO-GFCCVEGCSA-N 2 2 236.359 2.125 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)C[C@@H]1F ZINC001168371880 964947670 /nfs/dbraw/zinc/94/76/70/964947670.db2.gz JTWIGUSTNDONBW-RISCZKNCSA-N 2 2 240.366 2.151 20 0 BEADLP C[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@@H]1F ZINC001168371880 964947677 /nfs/dbraw/zinc/94/76/77/964947677.db2.gz JTWIGUSTNDONBW-RISCZKNCSA-N 2 2 240.366 2.151 20 0 BEADLP Cn1c[nH+]c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)cc21 ZINC001162396559 964956439 /nfs/dbraw/zinc/95/64/39/964956439.db2.gz LIVVCCAYZPKUPC-MNOVXSKESA-N 2 2 244.342 2.255 20 0 BEADLP Cc1cc[nH+]cc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162457386 964983514 /nfs/dbraw/zinc/98/35/14/964983514.db2.gz OKFMZSDRVVXUCK-OLZOCXBDSA-N 2 2 233.359 2.438 20 0 BEADLP F[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379669 965089002 /nfs/dbraw/zinc/08/90/02/965089002.db2.gz NTFSJHUOAPGHTB-ZDUSSCGKSA-N 2 2 240.366 2.295 20 0 BEADLP F[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168379669 965089013 /nfs/dbraw/zinc/08/90/13/965089013.db2.gz NTFSJHUOAPGHTB-ZDUSSCGKSA-N 2 2 240.366 2.295 20 0 BEADLP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCc2cccnc21 ZINC000226797729 965245460 /nfs/dbraw/zinc/24/54/60/965245460.db2.gz RGBPAMJOENFFEX-ZDUSSCGKSA-N 2 2 247.386 2.246 20 0 BEADLP CCOc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205063845 965282952 /nfs/dbraw/zinc/28/29/52/965282952.db2.gz DFBICBRGPZSCOH-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP CCOc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205063845 965282958 /nfs/dbraw/zinc/28/29/58/965282958.db2.gz DFBICBRGPZSCOH-JSGCOSHPSA-N 2 2 248.370 2.397 20 0 BEADLP Cc1c[nH+]cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC001163267540 965321451 /nfs/dbraw/zinc/32/14/51/965321451.db2.gz XZXMZSPXMKVNMU-AGIUHOORSA-N 2 2 231.343 2.108 20 0 BEADLP Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c[nH+]c1C ZINC001163262935 965321538 /nfs/dbraw/zinc/32/15/38/965321538.db2.gz QTIZQEPVEIRXFB-XBFCOCLRSA-N 2 2 231.343 2.108 20 0 BEADLP C[C@@H]1CCN(c2cc[nH+]cc2)C[C@H]1n1cc[nH+]c1 ZINC001120860856 965438280 /nfs/dbraw/zinc/43/82/80/965438280.db2.gz UHKWYPFQFBKNMP-TZMCWYRMSA-N 2 2 242.326 2.366 20 0 BEADLP Cc1cc2cc[nH]c2c(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC001163773987 965576481 /nfs/dbraw/zinc/57/64/81/965576481.db2.gz XGJSTXPIVIRPNV-JTQLQIEISA-N 2 2 232.331 2.233 20 0 BEADLP CC[N@@H+]1CCCN(c2cc(C)c(C)c[nH+]2)CC1 ZINC001163776114 965582255 /nfs/dbraw/zinc/58/22/55/965582255.db2.gz FYRDLWDKOPHWCU-UHFFFAOYSA-N 2 2 233.359 2.230 20 0 BEADLP CC[N@H+]1CCCN(c2cc(C)c(C)c[nH+]2)CC1 ZINC001163776114 965582262 /nfs/dbraw/zinc/58/22/62/965582262.db2.gz FYRDLWDKOPHWCU-UHFFFAOYSA-N 2 2 233.359 2.230 20 0 BEADLP CC(C)Oc1cc(N[C@@H](C)C[NH+](C)C)cc[nH+]1 ZINC001163777683 965582680 /nfs/dbraw/zinc/58/26/80/965582680.db2.gz YXWVFGFFRUVUCG-NSHDSACASA-N 2 2 237.347 2.231 20 0 BEADLP Cc1[nH+]ccn1CCNc1c[nH+]c(C)c(C)c1 ZINC001163923100 965638021 /nfs/dbraw/zinc/63/80/21/965638021.db2.gz FNZBNSMGQWYYMX-UHFFFAOYSA-N 2 2 230.315 2.315 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001205094831 965731082 /nfs/dbraw/zinc/73/10/82/965731082.db2.gz QXRJRHJEIRXYBN-LLVKDONJSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001205094831 965731092 /nfs/dbraw/zinc/73/10/92/965731092.db2.gz QXRJRHJEIRXYBN-LLVKDONJSA-N 2 2 240.297 2.278 20 0 BEADLP Cc1nc(N2CC(C)([NH+](C)C)C2)cc(C(C)C)[nH+]1 ZINC001165117474 965962135 /nfs/dbraw/zinc/96/21/35/965962135.db2.gz WJEPFPHQYRNNQS-UHFFFAOYSA-N 2 2 248.374 2.049 20 0 BEADLP COc1cc[nH+]c(N2CC[N@H+](C(C)C)[C@H](C)C2)c1 ZINC001165198724 965984115 /nfs/dbraw/zinc/98/41/15/965984115.db2.gz CNOLJQQMOAUSBU-GFCCVEGCSA-N 2 2 249.358 2.009 20 0 BEADLP COc1cc[nH+]c(N2CC[N@@H+](C(C)C)[C@H](C)C2)c1 ZINC001165198724 965984129 /nfs/dbraw/zinc/98/41/29/965984129.db2.gz CNOLJQQMOAUSBU-GFCCVEGCSA-N 2 2 249.358 2.009 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235986370 966201789 /nfs/dbraw/zinc/20/17/89/966201789.db2.gz CQIBNYZMSYUSAT-OCCSQVGLSA-N 2 2 248.395 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235986370 966201805 /nfs/dbraw/zinc/20/18/05/966201805.db2.gz CQIBNYZMSYUSAT-OCCSQVGLSA-N 2 2 248.395 2.332 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1cccc3ccccc31)C2 ZINC001236024869 966239723 /nfs/dbraw/zinc/23/97/23/966239723.db2.gz URFVRXZBVARTRI-HOCLYGCPSA-N 2 2 238.334 2.373 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001236024869 966239730 /nfs/dbraw/zinc/23/97/30/966239730.db2.gz URFVRXZBVARTRI-HOCLYGCPSA-N 2 2 238.334 2.373 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1C ZINC001236031228 966249251 /nfs/dbraw/zinc/24/92/51/966249251.db2.gz SIFDCSXJORTQCK-GJZGRUSLSA-N 2 2 230.355 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1C ZINC001236031228 966249267 /nfs/dbraw/zinc/24/92/67/966249267.db2.gz SIFDCSXJORTQCK-GJZGRUSLSA-N 2 2 230.355 2.145 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001236167565 966280328 /nfs/dbraw/zinc/28/03/28/966280328.db2.gz DARPKPYCKWKKPR-LBPRGKRZSA-N 2 2 242.322 2.078 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001236167565 966280335 /nfs/dbraw/zinc/28/03/35/966280335.db2.gz DARPKPYCKWKKPR-LBPRGKRZSA-N 2 2 242.322 2.078 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2cccnc21 ZINC001236865831 966601042 /nfs/dbraw/zinc/60/10/42/966601042.db2.gz QEQBLAYIZQAECI-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2cccnc21 ZINC001236865831 966601049 /nfs/dbraw/zinc/60/10/49/966601049.db2.gz QEQBLAYIZQAECI-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP Cc1ccc2c(C[N@@H+](C)C[C@H](C)[NH3+])c[nH]c2c1 ZINC001236885886 966615445 /nfs/dbraw/zinc/61/54/45/966615445.db2.gz WVMZCTPXGPLMNM-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP Cc1ccc2c(C[N@H+](C)C[C@H](C)[NH3+])c[nH]c2c1 ZINC001236885886 966615452 /nfs/dbraw/zinc/61/54/52/966615452.db2.gz WVMZCTPXGPLMNM-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP CC[N@H+](Cc1cccc(O)c1)C1CC[NH+](C)CC1 ZINC001203860330 966796290 /nfs/dbraw/zinc/79/62/90/966796290.db2.gz LKIKAFFMNMKIRJ-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CC[N@@H+](Cc1cccc(O)c1)C1CC[NH+](C)CC1 ZINC001203860330 966796299 /nfs/dbraw/zinc/79/62/99/966796299.db2.gz LKIKAFFMNMKIRJ-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CCOc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205202797 966825699 /nfs/dbraw/zinc/82/56/99/966825699.db2.gz VJYWDAMCXVLHTK-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1ccc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205202797 966825703 /nfs/dbraw/zinc/82/57/03/966825703.db2.gz VJYWDAMCXVLHTK-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCc1cccc(Cl)c1 ZINC001204720719 967138106 /nfs/dbraw/zinc/13/81/06/967138106.db2.gz SJPPXPAQMKRJQL-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCc1cccc(Cl)c1 ZINC001204720719 967138114 /nfs/dbraw/zinc/13/81/14/967138114.db2.gz SJPPXPAQMKRJQL-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP COc1ccccc1CCC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763596 967151418 /nfs/dbraw/zinc/15/14/18/967151418.db2.gz MPXLXWWXRANOMK-OAHLLOKOSA-N 2 2 248.370 2.051 20 0 BEADLP COc1ccccc1CCC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763596 967151427 /nfs/dbraw/zinc/15/14/27/967151427.db2.gz MPXLXWWXRANOMK-OAHLLOKOSA-N 2 2 248.370 2.051 20 0 BEADLP Cc1ccccc1OC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC001204869516 967204663 /nfs/dbraw/zinc/20/46/63/967204663.db2.gz BBCHDYRWOVRZSZ-ZDUSSCGKSA-N 2 2 248.370 2.185 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001204885159 967212658 /nfs/dbraw/zinc/21/26/58/967212658.db2.gz LQIBMHCURYGTDF-HNNXBMFYSA-N 2 2 244.382 2.489 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001204885159 967212672 /nfs/dbraw/zinc/21/26/72/967212672.db2.gz LQIBMHCURYGTDF-HNNXBMFYSA-N 2 2 244.382 2.489 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC12CC2 ZINC001204911017 967230418 /nfs/dbraw/zinc/23/04/18/967230418.db2.gz AQYURDQPVSQKJI-OAHLLOKOSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC12CC2 ZINC001204911017 967230427 /nfs/dbraw/zinc/23/04/27/967230427.db2.gz AQYURDQPVSQKJI-OAHLLOKOSA-N 2 2 242.366 2.098 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(F)cc1 ZINC001205064815 967320508 /nfs/dbraw/zinc/32/05/08/967320508.db2.gz WMTQNRJOEWXBFD-GWCFXTLKSA-N 2 2 222.307 2.137 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1C ZINC001205177240 967412029 /nfs/dbraw/zinc/41/20/29/967412029.db2.gz DWZJFKKZNHZYMS-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1C ZINC001205177240 967412036 /nfs/dbraw/zinc/41/20/36/967412036.db2.gz DWZJFKKZNHZYMS-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1 ZINC001205189966 967418191 /nfs/dbraw/zinc/41/81/91/967418191.db2.gz IWILYAGMPMOAPU-IUODEOHRSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1 ZINC001205189966 967418201 /nfs/dbraw/zinc/41/82/01/967418201.db2.gz IWILYAGMPMOAPU-IUODEOHRSA-N 2 2 248.370 2.234 20 0 BEADLP CCC(F)(F)C[N@H+](C)CCCCCC[NH3+] ZINC000701292274 967809552 /nfs/dbraw/zinc/80/95/52/967809552.db2.gz VHVQFHZZLGMNGE-UHFFFAOYSA-N 2 2 222.323 2.483 20 0 BEADLP CCC(F)(F)C[N@@H+](C)CCCCCC[NH3+] ZINC000701292274 967809554 /nfs/dbraw/zinc/80/95/54/967809554.db2.gz VHVQFHZZLGMNGE-UHFFFAOYSA-N 2 2 222.323 2.483 20 0 BEADLP [NH3+][C@H]1CCC[C@@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001162385838 967821214 /nfs/dbraw/zinc/82/12/14/967821214.db2.gz RQWFJGZBEWWDKG-WDEREUQCSA-N 2 2 230.315 2.245 20 0 BEADLP C[C@H](C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+])C(F)(F)F ZINC001205807259 967830041 /nfs/dbraw/zinc/83/00/41/967830041.db2.gz ZHRGHUAGFCTNRX-OPRDCNLKSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H](C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+])C(F)(F)F ZINC001205807259 967830042 /nfs/dbraw/zinc/83/00/42/967830042.db2.gz ZHRGHUAGFCTNRX-OPRDCNLKSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC2OC=CC2=S)C1 ZINC001205854362 967857024 /nfs/dbraw/zinc/85/70/24/967857024.db2.gz KADIFXBQFYAQIJ-NXEZZACHSA-N 2 2 240.372 2.128 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC2OC=CC2=S)C1 ZINC001205854362 967857029 /nfs/dbraw/zinc/85/70/29/967857029.db2.gz KADIFXBQFYAQIJ-NXEZZACHSA-N 2 2 240.372 2.128 20 0 BEADLP Cc1csc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205868568 967866334 /nfs/dbraw/zinc/86/63/34/967866334.db2.gz KZLDROWGVXNUFS-PWSUYJOCSA-N 2 2 224.373 2.226 20 0 BEADLP Cc1csc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205868568 967866339 /nfs/dbraw/zinc/86/63/39/967866339.db2.gz KZLDROWGVXNUFS-PWSUYJOCSA-N 2 2 224.373 2.226 20 0 BEADLP Nc1cc(Nc2cccn3cc[nH+]c23)cc[nH+]1 ZINC001206528852 968353764 /nfs/dbraw/zinc/35/37/64/968353764.db2.gz OLSMGBHVTVUHPA-UHFFFAOYSA-N 2 2 225.255 2.055 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC2=CCCC2)C1 ZINC001206720383 968441362 /nfs/dbraw/zinc/44/13/62/968441362.db2.gz FQXSLCRKXFUOFD-CYBMUJFWSA-N 2 2 208.349 2.171 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC2=CCCC2)C1 ZINC001206720383 968441356 /nfs/dbraw/zinc/44/13/56/968441356.db2.gz FQXSLCRKXFUOFD-CYBMUJFWSA-N 2 2 208.349 2.171 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164453435 968516964 /nfs/dbraw/zinc/51/69/64/968516964.db2.gz PPBYPKCYUIOCBT-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164453435 968516972 /nfs/dbraw/zinc/51/69/72/968516972.db2.gz PPBYPKCYUIOCBT-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cn2cc(C3=CCC[NH2+]C3)ccc2[nH+]1 ZINC001240665103 968630409 /nfs/dbraw/zinc/63/04/09/968630409.db2.gz UMSZZSAYADPLPG-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207275038 968704817 /nfs/dbraw/zinc/70/48/17/968704817.db2.gz IVYORZSLCZGVCC-GHMZBOCLSA-N 2 2 216.344 2.007 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207275038 968704821 /nfs/dbraw/zinc/70/48/21/968704821.db2.gz IVYORZSLCZGVCC-GHMZBOCLSA-N 2 2 216.344 2.007 20 0 BEADLP C[NH+]1CCC(CC[N@@H+]2CCCC(F)(F)C2)CC1 ZINC001207479987 968797067 /nfs/dbraw/zinc/79/70/67/968797067.db2.gz RIPVVVYYIXBRLR-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP C[NH+]1CCC(CC[N@H+]2CCCC(F)(F)C2)CC1 ZINC001207479987 968797072 /nfs/dbraw/zinc/79/70/72/968797072.db2.gz RIPVVVYYIXBRLR-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001207626277 968840408 /nfs/dbraw/zinc/84/04/08/968840408.db2.gz DCXAIPANGYNRLI-ZJIFWQFVSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001207626277 968840411 /nfs/dbraw/zinc/84/04/11/968840411.db2.gz DCXAIPANGYNRLI-ZJIFWQFVSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001207626277 968840416 /nfs/dbraw/zinc/84/04/16/968840416.db2.gz DCXAIPANGYNRLI-ZJIFWQFVSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001207626277 968840421 /nfs/dbraw/zinc/84/04/21/968840421.db2.gz DCXAIPANGYNRLI-ZJIFWQFVSA-N 2 2 246.398 2.369 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632833 968852351 /nfs/dbraw/zinc/85/23/51/968852351.db2.gz TWBKOTUVEIJCRA-ZNMIVQPWSA-N 2 2 245.370 2.417 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632833 968852355 /nfs/dbraw/zinc/85/23/55/968852355.db2.gz TWBKOTUVEIJCRA-ZNMIVQPWSA-N 2 2 245.370 2.417 20 0 BEADLP CS[C@H](C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001208154752 969076607 /nfs/dbraw/zinc/07/66/07/969076607.db2.gz NREOALQGIJAPMM-UPJWGTAASA-N 2 2 242.432 2.297 20 0 BEADLP CS[C@H](C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001208154752 969076615 /nfs/dbraw/zinc/07/66/15/969076615.db2.gz NREOALQGIJAPMM-UPJWGTAASA-N 2 2 242.432 2.297 20 0 BEADLP CS[C@H](C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001208154752 969076625 /nfs/dbraw/zinc/07/66/25/969076625.db2.gz NREOALQGIJAPMM-UPJWGTAASA-N 2 2 242.432 2.297 20 0 BEADLP CS[C@H](C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001208154752 969076633 /nfs/dbraw/zinc/07/66/33/969076633.db2.gz NREOALQGIJAPMM-UPJWGTAASA-N 2 2 242.432 2.297 20 0 BEADLP c1c[nH+]c(-c2ccc(OC3CC[NH2+]CC3)cc2)[nH]1 ZINC001242018397 969171304 /nfs/dbraw/zinc/17/13/04/969171304.db2.gz LPFCSIIFZHFYJK-UHFFFAOYSA-N 2 2 243.310 2.208 20 0 BEADLP CSC(C)(C)CC[NH2+]CC[N@H+](C)C(C)C ZINC000385218227 969190008 /nfs/dbraw/zinc/19/00/08/969190008.db2.gz KUBAZIONLPFSDZ-UHFFFAOYSA-N 2 2 232.437 2.448 20 0 BEADLP CSC(C)(C)CC[NH2+]CC[N@@H+](C)C(C)C ZINC000385218227 969190014 /nfs/dbraw/zinc/19/00/14/969190014.db2.gz KUBAZIONLPFSDZ-UHFFFAOYSA-N 2 2 232.437 2.448 20 0 BEADLP Cc1c[nH+]c(NC2=CC[N@H+](C)CC2)c(C)c1 ZINC001208793565 969240762 /nfs/dbraw/zinc/24/07/62/969240762.db2.gz IPZFFXJKARPBEY-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1c[nH+]c(NC2=CC[N@@H+](C)CC2)c(C)c1 ZINC001208793565 969240767 /nfs/dbraw/zinc/24/07/67/969240767.db2.gz IPZFFXJKARPBEY-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)C[C@H](C)C(F)(F)F ZINC001208901457 969290599 /nfs/dbraw/zinc/29/05/99/969290599.db2.gz NVWSAWJBUARWEN-JTQLQIEISA-N 2 2 240.313 2.458 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)C[C@H](C)C(F)(F)F ZINC001208901457 969290602 /nfs/dbraw/zinc/29/06/02/969290602.db2.gz NVWSAWJBUARWEN-JTQLQIEISA-N 2 2 240.313 2.458 20 0 BEADLP Cc1cnc(C[NH3+])n1-c1ccc([NH+](C)C)c(C)c1 ZINC001169031185 969354640 /nfs/dbraw/zinc/35/46/40/969354640.db2.gz ZECSGLSKYBMPER-UHFFFAOYSA-N 2 2 244.342 2.014 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169079216 969399641 /nfs/dbraw/zinc/39/96/41/969399641.db2.gz JYKPVYPOYCSIJZ-QKDCVEJESA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169079216 969399647 /nfs/dbraw/zinc/39/96/47/969399647.db2.gz JYKPVYPOYCSIJZ-QKDCVEJESA-N 2 2 245.370 2.105 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169089340 969409868 /nfs/dbraw/zinc/40/98/68/969409868.db2.gz BSJZOGMIXSCSSV-YIYPIFLZSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169089340 969409874 /nfs/dbraw/zinc/40/98/74/969409874.db2.gz BSJZOGMIXSCSSV-YIYPIFLZSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169092406 969412500 /nfs/dbraw/zinc/41/25/00/969412500.db2.gz BSJZOGMIXSCSSV-FQUUOJAGSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169092406 969412507 /nfs/dbraw/zinc/41/25/07/969412507.db2.gz BSJZOGMIXSCSSV-FQUUOJAGSA-N 2 2 245.370 2.357 20 0 BEADLP C[N@H+](Cc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125228 969428846 /nfs/dbraw/zinc/42/88/46/969428846.db2.gz WSDCZPVGKKJGFG-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@@H+](Cc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169125228 969428851 /nfs/dbraw/zinc/42/88/51/969428851.db2.gz WSDCZPVGKKJGFG-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169125228 969428855 /nfs/dbraw/zinc/42/88/55/969428855.db2.gz WSDCZPVGKKJGFG-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1cccnc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169125228 969428858 /nfs/dbraw/zinc/42/88/58/969428858.db2.gz WSDCZPVGKKJGFG-FICVDOATSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](F)C1)C2 ZINC001169139890 969457061 /nfs/dbraw/zinc/45/70/61/969457061.db2.gz FUOYTBYETBEENK-NDBYEHHHSA-N 2 2 226.339 2.046 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](F)C1)C2 ZINC001169139890 969457068 /nfs/dbraw/zinc/45/70/68/969457068.db2.gz FUOYTBYETBEENK-NDBYEHHHSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](F)C1)C2 ZINC001169139890 969457077 /nfs/dbraw/zinc/45/70/77/969457077.db2.gz FUOYTBYETBEENK-NDBYEHHHSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](F)C1)C2 ZINC001169139890 969457085 /nfs/dbraw/zinc/45/70/85/969457085.db2.gz FUOYTBYETBEENK-NDBYEHHHSA-N 2 2 226.339 2.046 20 0 BEADLP CC(C)[N@H+](C[C@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209427603 969492026 /nfs/dbraw/zinc/49/20/26/969492026.db2.gz POUKDTVIHKBEIZ-QWHCGFSZSA-N 2 2 224.392 2.447 20 0 BEADLP CC(C)[N@@H+](C[C@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209427603 969492033 /nfs/dbraw/zinc/49/20/33/969492033.db2.gz POUKDTVIHKBEIZ-QWHCGFSZSA-N 2 2 224.392 2.447 20 0 BEADLP CC1(C)C[NH+](CCC[NH+]2CCCCC2)C1 ZINC001209448492 969519687 /nfs/dbraw/zinc/51/96/87/969519687.db2.gz VLKCDFMFAZESGU-UHFFFAOYSA-N 2 2 210.365 2.204 20 0 BEADLP CC[NH+]1CCC([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001169233930 969515488 /nfs/dbraw/zinc/51/54/88/969515488.db2.gz YLKINEPBTPRGND-UHFFFAOYSA-N 2 2 247.386 2.391 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209448168 969517573 /nfs/dbraw/zinc/51/75/73/969517573.db2.gz OQLNTDKKNFXBBV-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209448168 969517579 /nfs/dbraw/zinc/51/75/79/969517579.db2.gz OQLNTDKKNFXBBV-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP F[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]2C[C@@H]21 ZINC001209449899 969518354 /nfs/dbraw/zinc/51/83/54/969518354.db2.gz MRVMNFQWHIBBQR-IHRRRGAJSA-N 2 2 240.366 2.152 20 0 BEADLP F[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]2C[C@@H]21 ZINC001209449899 969518358 /nfs/dbraw/zinc/51/83/58/969518358.db2.gz MRVMNFQWHIBBQR-IHRRRGAJSA-N 2 2 240.366 2.152 20 0 BEADLP CC[N@H+](Cc1ccncc1)C1CC[NH+](CC)CC1 ZINC001169244878 969531727 /nfs/dbraw/zinc/53/17/27/969531727.db2.gz XSDFKICQKUOKMF-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[N@@H+](Cc1ccncc1)C1CC[NH+](CC)CC1 ZINC001169244878 969531729 /nfs/dbraw/zinc/53/17/29/969531729.db2.gz XSDFKICQKUOKMF-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[NH+]1CCC([N@H+](C)C2CC(F)(F)C2)CC1 ZINC001169246272 969536652 /nfs/dbraw/zinc/53/66/52/969536652.db2.gz RTFDVIXOOHRLAC-UHFFFAOYSA-N 2 2 232.318 2.200 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001169246272 969536658 /nfs/dbraw/zinc/53/66/58/969536658.db2.gz RTFDVIXOOHRLAC-UHFFFAOYSA-N 2 2 232.318 2.200 20 0 BEADLP C[C@@]1(F)CCC[N@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209728327 969578944 /nfs/dbraw/zinc/57/89/44/969578944.db2.gz QZVXVANVODRKCG-CYBMUJFWSA-N 2 2 237.322 2.208 20 0 BEADLP C[C@@]1(F)CCC[N@@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209728327 969578951 /nfs/dbraw/zinc/57/89/51/969578951.db2.gz QZVXVANVODRKCG-CYBMUJFWSA-N 2 2 237.322 2.208 20 0 BEADLP C[C@]1(F)CCCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728018 969579451 /nfs/dbraw/zinc/57/94/51/969579451.db2.gz BSGHCNXRIXQGLB-ZDUSSCGKSA-N 2 2 237.322 2.208 20 0 BEADLP C[C@]1(F)CCCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728018 969579461 /nfs/dbraw/zinc/57/94/61/969579461.db2.gz BSGHCNXRIXQGLB-ZDUSSCGKSA-N 2 2 237.322 2.208 20 0 BEADLP Nc1cc[nH+]cc1C[NH+]1CC2(C1)CCCCC2 ZINC001209737609 969597258 /nfs/dbraw/zinc/59/72/58/969597258.db2.gz QBSQQTFXVSLAMF-UHFFFAOYSA-N 2 2 231.343 2.260 20 0 BEADLP Cc1ccccc1C[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209734535 969597416 /nfs/dbraw/zinc/59/74/16/969597416.db2.gz TWPYFXQGJNSVEM-UHFFFAOYSA-N 2 2 241.338 2.435 20 0 BEADLP Cc1ccccc1C[N@H+](C)Cc1c[nH+]ccc1N ZINC001209734535 969597423 /nfs/dbraw/zinc/59/74/23/969597423.db2.gz TWPYFXQGJNSVEM-UHFFFAOYSA-N 2 2 241.338 2.435 20 0 BEADLP OCc1cc(Nc2ccc3[nH]c[nH+]c3c2)cc[nH+]1 ZINC001209844979 969654071 /nfs/dbraw/zinc/65/40/71/969654071.db2.gz SQZVMZVQSWXTIY-UHFFFAOYSA-N 2 2 240.266 2.194 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209849305 969663777 /nfs/dbraw/zinc/66/37/77/969663777.db2.gz WQNLTPZOQDVJTQ-UHFFFAOYSA-N 2 2 227.271 2.348 20 0 BEADLP FC1(F)CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833234 969795344 /nfs/dbraw/zinc/79/53/44/969795344.db2.gz NXGNGTZXJAEOLJ-VXGBXAGGSA-N 2 2 244.329 2.248 20 0 BEADLP C1=CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254847668 969801584 /nfs/dbraw/zinc/80/15/84/969801584.db2.gz IGCOKQJHPMNZGC-ZIAGYGMSSA-N 2 2 220.360 2.169 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840860 969802087 /nfs/dbraw/zinc/80/20/87/969802087.db2.gz PGIINJLNWKRMFK-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C1C[C@@H]2C[NH+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254852834 969805669 /nfs/dbraw/zinc/80/56/69/969805669.db2.gz JHPAKWWKHLJDAV-KFWWJZLASA-N 2 2 234.387 2.203 20 0 BEADLP C(C1CC1)C1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254848878 969806167 /nfs/dbraw/zinc/80/61/67/969806167.db2.gz YEWHHBRXEIOXDZ-AWEZNQCLSA-N 2 2 234.387 2.393 20 0 BEADLP Cc1cc[nH+]cc1NCC12CC[NH+](CC1)CC2 ZINC001169797092 969847596 /nfs/dbraw/zinc/84/75/96/969847596.db2.gz XSLUIAVFCOGILF-UHFFFAOYSA-N 2 2 231.343 2.288 20 0 BEADLP Cc1[nH+]cc(Nc2ccc3[nH+]ccn3c2)cc1N ZINC001210286648 969853537 /nfs/dbraw/zinc/85/35/37/969853537.db2.gz BVSNWSVSBRHPBD-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP CCCc1ccc(C[NH+]2CC(C[NH2+]C)C2)cc1 ZINC001210561812 969939980 /nfs/dbraw/zinc/93/99/80/969939980.db2.gz UIEUZDSCYRXQFE-UHFFFAOYSA-N 2 2 232.371 2.290 20 0 BEADLP C[NH2+]CC1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001210561534 969941490 /nfs/dbraw/zinc/94/14/90/969941490.db2.gz OZTPDEIISGXEOT-UHFFFAOYSA-N 2 2 232.371 2.461 20 0 BEADLP c1cn(C2CC[NH+]([C@@H]3CCSC3)CC2)c[nH+]1 ZINC001255291725 970051284 /nfs/dbraw/zinc/05/12/84/970051284.db2.gz YHSKWZCBFWDFJJ-GFCCVEGCSA-N 2 2 237.372 2.026 20 0 BEADLP COc1ccc(-c2c[nH+]cn2C)cc1C[NH+](C)C ZINC001243071588 970284022 /nfs/dbraw/zinc/28/40/22/970284022.db2.gz WCYXGUHXUQVRIN-UHFFFAOYSA-N 2 2 245.326 2.157 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC001170115742 970335847 /nfs/dbraw/zinc/33/58/47/970335847.db2.gz BJVODUYBMXVKRV-XQQFMLRXSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC001170115742 970335861 /nfs/dbraw/zinc/33/58/61/970335861.db2.gz BJVODUYBMXVKRV-XQQFMLRXSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001170118693 970338531 /nfs/dbraw/zinc/33/85/31/970338531.db2.gz UIBNJFRMXCTKKR-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001170118693 970338545 /nfs/dbraw/zinc/33/85/45/970338545.db2.gz UIBNJFRMXCTKKR-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001170126333 970377151 /nfs/dbraw/zinc/37/71/51/970377151.db2.gz VZAJFQRBHVDIKT-VXGBXAGGSA-N 2 2 220.316 2.239 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001170126330 970378143 /nfs/dbraw/zinc/37/81/43/970378143.db2.gz VZAJFQRBHVDIKT-NEPJUHHUSA-N 2 2 220.316 2.239 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001255644127 970415139 /nfs/dbraw/zinc/41/51/39/970415139.db2.gz LCEBVCGIHUNSTL-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001255644127 970415144 /nfs/dbraw/zinc/41/51/44/970415144.db2.gz LCEBVCGIHUNSTL-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000302644890 970457544 /nfs/dbraw/zinc/45/75/44/970457544.db2.gz GMHYQOGWPOMZDP-AWEZNQCLSA-N 2 2 235.375 2.161 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001170152500 970463881 /nfs/dbraw/zinc/46/38/81/970463881.db2.gz VVAQFZATHRWOKJ-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001170152500 970463893 /nfs/dbraw/zinc/46/38/93/970463893.db2.gz VVAQFZATHRWOKJ-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1CC[C@@H]([NH+]2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001170152500 970463898 /nfs/dbraw/zinc/46/38/98/970463898.db2.gz VVAQFZATHRWOKJ-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1CC[C@@H]([NH+]2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001170152500 970463903 /nfs/dbraw/zinc/46/39/03/970463903.db2.gz VVAQFZATHRWOKJ-MJBXVCDLSA-N 2 2 222.376 2.345 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccccn1 ZINC001255940471 970568399 /nfs/dbraw/zinc/56/83/99/970568399.db2.gz ZCGYYEDSJZNQPG-ZDUSSCGKSA-N 2 2 235.375 2.292 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256072781 970631497 /nfs/dbraw/zinc/63/14/97/970631497.db2.gz HSHAGWFBYQERKG-MNOVXSKESA-N 2 2 226.339 2.046 20 0 BEADLP F[C@@H]1CCCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072919 970641247 /nfs/dbraw/zinc/64/12/47/970641247.db2.gz IJVNKTCEDRHQTI-GFCCVEGCSA-N 2 2 240.366 2.437 20 0 BEADLP F[C@@H]1CCCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072919 970641251 /nfs/dbraw/zinc/64/12/51/970641251.db2.gz IJVNKTCEDRHQTI-GFCCVEGCSA-N 2 2 240.366 2.437 20 0 BEADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073216 970641604 /nfs/dbraw/zinc/64/16/04/970641604.db2.gz OWXPBLYMPFJSMW-NSHDSACASA-N 2 2 208.349 2.098 20 0 BEADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073216 970641614 /nfs/dbraw/zinc/64/16/14/970641614.db2.gz OWXPBLYMPFJSMW-NSHDSACASA-N 2 2 208.349 2.098 20 0 BEADLP CC[C@H](C)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256075081 970643442 /nfs/dbraw/zinc/64/34/42/970643442.db2.gz CDOFMMPIINIJCT-NSHDSACASA-N 2 2 210.365 2.344 20 0 BEADLP CC[C@H](C)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256075081 970643450 /nfs/dbraw/zinc/64/34/50/970643450.db2.gz CDOFMMPIINIJCT-NSHDSACASA-N 2 2 210.365 2.344 20 0 BEADLP Cc1cc(NCC2C[NH+](C)C2)ccc1[NH+](C)C ZINC001170258290 970648665 /nfs/dbraw/zinc/64/86/65/970648665.db2.gz IKSYJITYRQFWPK-UHFFFAOYSA-N 2 2 233.359 2.035 20 0 BEADLP COc1cccc(C[C@@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001256145914 970669358 /nfs/dbraw/zinc/66/93/58/970669358.db2.gz OKUYSSDQKVHUNX-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001256145914 970669367 /nfs/dbraw/zinc/66/93/67/970669367.db2.gz OKUYSSDQKVHUNX-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccn1 ZINC001256196471 970691744 /nfs/dbraw/zinc/69/17/44/970691744.db2.gz NMZFQUDCOKQAGP-CYBMUJFWSA-N 2 2 233.359 2.217 20 0 BEADLP C[NH+]1CCC([NH+]2Cc3ccccc3C2)CC1 ZINC001256201412 970698447 /nfs/dbraw/zinc/69/84/47/970698447.db2.gz BTEMALOUBKSNEK-UHFFFAOYSA-N 2 2 216.328 2.096 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001256210165 970721035 /nfs/dbraw/zinc/72/10/35/970721035.db2.gz FRIKRSOAIJZEGC-UHFFFAOYSA-N 2 2 248.345 2.278 20 0 BEADLP C[NH+]1CCC([N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001256210165 970721042 /nfs/dbraw/zinc/72/10/42/970721042.db2.gz FRIKRSOAIJZEGC-UHFFFAOYSA-N 2 2 248.345 2.278 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246551555 972728836 /nfs/dbraw/zinc/72/88/36/972728836.db2.gz ZZTAKSUSXZJTHR-OCCSQVGLSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246551555 972728844 /nfs/dbraw/zinc/72/88/44/972728844.db2.gz ZZTAKSUSXZJTHR-OCCSQVGLSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001327838973 972756328 /nfs/dbraw/zinc/75/63/28/972756328.db2.gz KLHTYYKELJBVBZ-LRDDRELGSA-N 2 2 244.382 2.263 20 0 BEADLP CC(C)([NH3+])CNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001171193692 972845590 /nfs/dbraw/zinc/84/55/90/972845590.db2.gz FKDJJGCUZVHSDT-UHFFFAOYSA-N 2 2 237.347 2.408 20 0 BEADLP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246661166 973072836 /nfs/dbraw/zinc/07/28/36/973072836.db2.gz ULWYZTAFRGQZOO-RWMBFGLXSA-N 2 2 210.365 2.234 20 0 BEADLP CC(C)CC[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246661166 973072851 /nfs/dbraw/zinc/07/28/51/973072851.db2.gz ULWYZTAFRGQZOO-RWMBFGLXSA-N 2 2 210.365 2.234 20 0 BEADLP CCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246919072 973481553 /nfs/dbraw/zinc/48/15/53/973481553.db2.gz MHEMWKRADBBHMH-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246919072 973481545 /nfs/dbraw/zinc/48/15/45/973481545.db2.gz MHEMWKRADBBHMH-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCC(=O)C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624795 974118015 /nfs/dbraw/zinc/11/80/15/974118015.db2.gz XVMQKMYXSNAKHC-UHFFFAOYSA-N 2 2 240.391 2.207 20 0 BEADLP Cc1ccc(CC[C@@H](C)[NH2+]CC2C[NH+](C)C2)cc1 ZINC001171664153 974123629 /nfs/dbraw/zinc/12/36/29/974123629.db2.gz TXMJGIMUCLIMQO-CQSZACIVSA-N 2 2 246.398 2.467 20 0 BEADLP CC[C@@H](C[NH2+]CC1(OC)CCC1)[NH+]1CCCC1 ZINC001330625814 974372793 /nfs/dbraw/zinc/37/27/93/974372793.db2.gz IVPGYOLSHIZELZ-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CCOCC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172409197 974670946 /nfs/dbraw/zinc/67/09/46/974670946.db2.gz RSJXAAQGXZUXKY-CQSZACIVSA-N 2 2 242.407 2.267 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cs1 ZINC001331286879 974671558 /nfs/dbraw/zinc/67/15/58/974671558.db2.gz DJSDZOACLGPLPA-STQMWFEESA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cs1 ZINC001331286879 974671562 /nfs/dbraw/zinc/67/15/62/974671562.db2.gz DJSDZOACLGPLPA-STQMWFEESA-N 2 2 236.384 2.370 20 0 BEADLP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172415855 974685462 /nfs/dbraw/zinc/68/54/62/974685462.db2.gz IKKWRIDPQBPIFQ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172415855 974685466 /nfs/dbraw/zinc/68/54/66/974685466.db2.gz IKKWRIDPQBPIFQ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(F)c(F)cc1F ZINC001331417572 974714251 /nfs/dbraw/zinc/71/42/51/974714251.db2.gz COQHGSQSXGSDQY-MRVPVSSYSA-N 2 2 246.276 2.192 20 0 BEADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH+](C)C)CC2 ZINC001172825332 974949059 /nfs/dbraw/zinc/94/90/59/974949059.db2.gz GDZOIOWSPYITKI-XJKSGUPXSA-N 2 2 246.398 2.392 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cs1 ZINC001333226160 975578435 /nfs/dbraw/zinc/57/84/35/975578435.db2.gz WDOMULUHPORRQD-ITGUQSILSA-N 2 2 236.384 2.048 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cs1 ZINC001333226160 975578448 /nfs/dbraw/zinc/57/84/48/975578448.db2.gz WDOMULUHPORRQD-ITGUQSILSA-N 2 2 236.384 2.048 20 0 BEADLP Cc1[nH]c2ccc(O[C@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC001228326878 976124104 /nfs/dbraw/zinc/12/41/04/976124104.db2.gz MCRGAZHLAQXTKU-LBPRGKRZSA-N 2 2 245.326 2.344 20 0 BEADLP Cc1[nH]c2ccc(O[C@H]3CCC[N@@H+](C)C3)cc2[nH+]1 ZINC001228326878 976124097 /nfs/dbraw/zinc/12/40/97/976124097.db2.gz MCRGAZHLAQXTKU-LBPRGKRZSA-N 2 2 245.326 2.344 20 0 BEADLP Cn1cc[nH+]c1Nc1cc[nH+]c2ccccc12 ZINC001174037477 976238820 /nfs/dbraw/zinc/23/88/20/976238820.db2.gz QXEPQSAZXUEINN-UHFFFAOYSA-N 2 2 224.267 2.134 20 0 BEADLP Cc1c[nH+]ccc1Nc1[nH+]c2ccccc2n1C ZINC001174535816 976813257 /nfs/dbraw/zinc/81/32/57/976813257.db2.gz AAHHJQXQYLPWEB-UHFFFAOYSA-N 2 2 238.294 2.442 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001335269020 976913057 /nfs/dbraw/zinc/91/30/57/976913057.db2.gz BPNOFKITGVDKQA-OAHLLOKOSA-N 2 2 244.382 2.263 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cs1 ZINC001336093233 977497353 /nfs/dbraw/zinc/49/73/53/977497353.db2.gz FUYDWQXUWCKBCX-QWHCGFSZSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cs1 ZINC001336093233 977497369 /nfs/dbraw/zinc/49/73/69/977497369.db2.gz FUYDWQXUWCKBCX-QWHCGFSZSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1ccc(F)c(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001574155138 1170024521 /nfs/dbraw/zinc/02/45/21/1170024521.db2.gz SDRLJJFQLPFJMZ-CYBMUJFWSA-N 2 2 236.334 2.018 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176069425 977912861 /nfs/dbraw/zinc/91/28/61/977912861.db2.gz IMQNBZKTYFBQIS-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC001176069425 977912867 /nfs/dbraw/zinc/91/28/67/977912867.db2.gz IMQNBZKTYFBQIS-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001176069425 977912871 /nfs/dbraw/zinc/91/28/71/977912871.db2.gz IMQNBZKTYFBQIS-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001176069425 977912882 /nfs/dbraw/zinc/91/28/82/977912882.db2.gz IMQNBZKTYFBQIS-ZOBORPQBSA-N 2 2 222.376 2.201 20 0 BEADLP Cc1cc(C)[nH+]c(N2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC000721838875 978053723 /nfs/dbraw/zinc/05/37/23/978053723.db2.gz VPJQPWLAIZJNBX-NEPJUHHUSA-N 2 2 219.332 2.014 20 0 BEADLP CCC1(C[NH2+]CC[N@H+](C)C(C)C)CCOCC1 ZINC001177594884 978397755 /nfs/dbraw/zinc/39/77/55/978397755.db2.gz QNLLFMHVZFQZTJ-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP CCC1(C[NH2+]CC[N@@H+](C)C(C)C)CCOCC1 ZINC001177594884 978397762 /nfs/dbraw/zinc/39/77/62/978397762.db2.gz QNLLFMHVZFQZTJ-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cnc1C ZINC001233155892 978476686 /nfs/dbraw/zinc/47/66/86/978476686.db2.gz ICBNIHZLCHJLGC-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cnc1C ZINC001233155892 978476690 /nfs/dbraw/zinc/47/66/90/978476690.db2.gz ICBNIHZLCHJLGC-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1O ZINC001233229029 978497435 /nfs/dbraw/zinc/49/74/35/978497435.db2.gz APQCHCYTSRWLCM-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1O ZINC001233229029 978497437 /nfs/dbraw/zinc/49/74/37/978497437.db2.gz APQCHCYTSRWLCM-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccoc3)C[C@@H]2C1 ZINC001204244195 978699097 /nfs/dbraw/zinc/69/90/97/978699097.db2.gz AYZRWCSMTWQTHP-KBPBESRZSA-N 2 2 234.343 2.053 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(C)[nH+]1 ZINC001234600751 978869257 /nfs/dbraw/zinc/86/92/57/978869257.db2.gz GWCKQFUYRXLQHJ-TZMCWYRMSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(C)[nH+]1 ZINC001234600751 978869258 /nfs/dbraw/zinc/86/92/58/978869258.db2.gz GWCKQFUYRXLQHJ-TZMCWYRMSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C)[nH+]1 ZINC001234600748 978869476 /nfs/dbraw/zinc/86/94/76/978869476.db2.gz GWCKQFUYRXLQHJ-OCCSQVGLSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C)[nH+]1 ZINC001234600748 978869480 /nfs/dbraw/zinc/86/94/80/978869480.db2.gz GWCKQFUYRXLQHJ-OCCSQVGLSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(C)[nH+]1 ZINC001234600730 978870061 /nfs/dbraw/zinc/87/00/61/978870061.db2.gz GWCKQFUYRXLQHJ-GXTWGEPZSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(C)[nH+]1 ZINC001234600730 978870062 /nfs/dbraw/zinc/87/00/62/978870062.db2.gz GWCKQFUYRXLQHJ-GXTWGEPZSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CC3)CC2)c(C)[nH+]1 ZINC001234608617 978872846 /nfs/dbraw/zinc/87/28/46/978872846.db2.gz IGLGIHYAXCLQAM-UHFFFAOYSA-N 2 2 219.332 2.403 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235004972 978949181 /nfs/dbraw/zinc/94/91/81/978949181.db2.gz VHLDPXACHANZCF-HOTGVXAUSA-N 2 2 244.382 2.494 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235004972 978949184 /nfs/dbraw/zinc/94/91/84/978949184.db2.gz VHLDPXACHANZCF-HOTGVXAUSA-N 2 2 244.382 2.494 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001235007797 978950821 /nfs/dbraw/zinc/95/08/21/978950821.db2.gz RKXXXQXCAUZTBC-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC001235007797 978950826 /nfs/dbraw/zinc/95/08/26/978950826.db2.gz RKXXXQXCAUZTBC-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP FC1(F)CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039568 978957499 /nfs/dbraw/zinc/95/74/99/978957499.db2.gz VPGYZBKFKVELFL-NWDGAFQWSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235039568 978957504 /nfs/dbraw/zinc/95/75/04/978957504.db2.gz VPGYZBKFKVELFL-NWDGAFQWSA-N 2 2 244.329 2.248 20 0 BEADLP C[NH2+]CC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235152932 978984130 /nfs/dbraw/zinc/98/41/30/978984130.db2.gz PWVNTMWBOGMQKG-UHFFFAOYSA-N 2 2 244.382 2.186 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(C)s1 ZINC001235161228 978985150 /nfs/dbraw/zinc/98/51/50/978985150.db2.gz OASSOYLGMBMVDL-QWHCGFSZSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(C)s1 ZINC001235161228 978985156 /nfs/dbraw/zinc/98/51/56/978985156.db2.gz OASSOYLGMBMVDL-QWHCGFSZSA-N 2 2 236.384 2.288 20 0 BEADLP CCc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC001235347541 979031552 /nfs/dbraw/zinc/03/15/52/979031552.db2.gz QAWCNRCPXAZJKH-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)c1 ZINC001235347541 979031557 /nfs/dbraw/zinc/03/15/57/979031557.db2.gz QAWCNRCPXAZJKH-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP Cc1ccc2c(c1)C1(CC2)CC[NH+](CC[NH3+])CC1 ZINC001235607173 979105577 /nfs/dbraw/zinc/10/55/77/979105577.db2.gz KPHGBNBOBJSLTJ-UHFFFAOYSA-N 2 2 244.382 2.234 20 0 BEADLP C[NH2+]CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672957 979114333 /nfs/dbraw/zinc/11/43/33/979114333.db2.gz JUDPMRRWNRXOOF-HNNXBMFYSA-N 2 2 232.371 2.161 20 0 BEADLP C[NH2+]CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235672957 979114338 /nfs/dbraw/zinc/11/43/38/979114338.db2.gz JUDPMRRWNRXOOF-HNNXBMFYSA-N 2 2 232.371 2.161 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001235959925 979226283 /nfs/dbraw/zinc/22/62/83/979226283.db2.gz NVFVZAILGDGVLX-AWEZNQCLSA-N 2 2 220.360 2.418 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001235959925 979226295 /nfs/dbraw/zinc/22/62/95/979226295.db2.gz NVFVZAILGDGVLX-AWEZNQCLSA-N 2 2 220.360 2.418 20 0 BEADLP Cc1cccc(OC2CC[NH+](C[C@@H](C)[NH3+])CC2)c1 ZINC001235960255 979226380 /nfs/dbraw/zinc/22/63/80/979226380.db2.gz QIGMKJWMANBNGN-CYBMUJFWSA-N 2 2 248.370 2.185 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979857 979254499 /nfs/dbraw/zinc/25/44/99/979254499.db2.gz LLRSTVCCNSRFMJ-ZFWWWQNUSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979857 979254513 /nfs/dbraw/zinc/25/45/13/979254513.db2.gz LLRSTVCCNSRFMJ-ZFWWWQNUSA-N 2 2 241.338 2.091 20 0 BEADLP Cc1cccc2c(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)c[nH]c21 ZINC001236024375 979319914 /nfs/dbraw/zinc/31/99/14/979319914.db2.gz SZHXWEUWLKTTIX-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1cccc2c(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)c[nH]c21 ZINC001236024375 979319926 /nfs/dbraw/zinc/31/99/26/979319926.db2.gz SZHXWEUWLKTTIX-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060191 979347797 /nfs/dbraw/zinc/34/77/97/979347797.db2.gz BHEHNJDQKFOQGR-BBRMVZONSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060191 979347811 /nfs/dbraw/zinc/34/78/11/979347811.db2.gz BHEHNJDQKFOQGR-BBRMVZONSA-N 2 2 244.382 2.433 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001236172630 979433073 /nfs/dbraw/zinc/43/30/73/979433073.db2.gz IQNXWOUAEZHRTI-AWEZNQCLSA-N 2 2 241.338 2.010 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001236172630 979433086 /nfs/dbraw/zinc/43/30/86/979433086.db2.gz IQNXWOUAEZHRTI-AWEZNQCLSA-N 2 2 241.338 2.010 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(F)c2ccoc21 ZINC001236251052 979466384 /nfs/dbraw/zinc/46/63/84/979466384.db2.gz OFPDZUGBVBJJBN-LLVKDONJSA-N 2 2 248.301 2.495 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(F)c2ccoc21 ZINC001236251052 979466392 /nfs/dbraw/zinc/46/63/92/979466392.db2.gz OFPDZUGBVBJJBN-LLVKDONJSA-N 2 2 248.301 2.495 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2ccncc21 ZINC001236246493 979468095 /nfs/dbraw/zinc/46/80/95/979468095.db2.gz DMJGCJVSEOQOGO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2ccncc21 ZINC001236246493 979468099 /nfs/dbraw/zinc/46/80/99/979468099.db2.gz DMJGCJVSEOQOGO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])sc1C ZINC001236250066 979468192 /nfs/dbraw/zinc/46/81/92/979468192.db2.gz AOEJFJDZGOQSKK-LLVKDONJSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])sc1C ZINC001236250066 979468198 /nfs/dbraw/zinc/46/81/98/979468198.db2.gz AOEJFJDZGOQSKK-LLVKDONJSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236251983 979470012 /nfs/dbraw/zinc/47/00/12/979470012.db2.gz BAODWXWLABDRBG-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236251983 979470019 /nfs/dbraw/zinc/47/00/19/979470019.db2.gz BAODWXWLABDRBG-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2ncsc21 ZINC001236251372 979471746 /nfs/dbraw/zinc/47/17/46/979471746.db2.gz SMHQATUGBSGCLN-LLVKDONJSA-N 2 2 247.367 2.219 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2ncsc21 ZINC001236251372 979471753 /nfs/dbraw/zinc/47/17/53/979471753.db2.gz SMHQATUGBSGCLN-LLVKDONJSA-N 2 2 247.367 2.219 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1nccc2ccccc21 ZINC001236251118 979472009 /nfs/dbraw/zinc/47/20/09/979472009.db2.gz PDFNZDYPTSWVPQ-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1nccc2ccccc21 ZINC001236251118 979472024 /nfs/dbraw/zinc/47/20/24/979472024.db2.gz PDFNZDYPTSWVPQ-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+](C)C[C@H](C)[NH3+])c21 ZINC001236895482 979786134 /nfs/dbraw/zinc/78/61/34/979786134.db2.gz QGRWUBDMBYYVAR-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+](C)C[C@H](C)[NH3+])c21 ZINC001236895482 979786137 /nfs/dbraw/zinc/78/61/37/979786137.db2.gz QGRWUBDMBYYVAR-NSHDSACASA-N 2 2 231.343 2.255 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236909655 979790064 /nfs/dbraw/zinc/79/00/64/979790064.db2.gz UFKZWXRNNTVTIT-NSHDSACASA-N 2 2 224.323 2.222 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236909655 979790075 /nfs/dbraw/zinc/79/00/75/979790075.db2.gz UFKZWXRNNTVTIT-NSHDSACASA-N 2 2 224.323 2.222 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(O)cc2ccccc21 ZINC001236908946 979793868 /nfs/dbraw/zinc/79/38/68/979793868.db2.gz NKQXWLMYPSWYKY-NSHDSACASA-N 2 2 244.338 2.324 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(O)cc2ccccc21 ZINC001236908946 979793871 /nfs/dbraw/zinc/79/38/71/979793871.db2.gz NKQXWLMYPSWYKY-NSHDSACASA-N 2 2 244.338 2.324 20 0 BEADLP FC(F)C1C[NH+](Cc2cccc3c[nH+]cn32)C1 ZINC001238116981 980168266 /nfs/dbraw/zinc/16/82/66/980168266.db2.gz TXRDKJPAJHDIEG-UHFFFAOYSA-N 2 2 237.253 2.031 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ncc(C)cc1C ZINC001238436096 980260380 /nfs/dbraw/zinc/26/03/80/980260380.db2.gz REHVJJXLJSLBOY-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ncc(C)cc1C ZINC001238436096 980260393 /nfs/dbraw/zinc/26/03/93/980260393.db2.gz REHVJJXLJSLBOY-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP Cc1cn2cc(-c3cncc(C[NH3+])c3)ccc2[nH+]1 ZINC001239798513 980938029 /nfs/dbraw/zinc/93/80/29/980938029.db2.gz GKYKBUYEYRNBTB-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000157945758 981066962 /nfs/dbraw/zinc/06/69/62/981066962.db2.gz WNSFIEQAUXISBT-NWDGAFQWSA-N 2 2 238.350 2.296 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)C(C)(C)C ZINC001348074187 981272198 /nfs/dbraw/zinc/27/21/98/981272198.db2.gz DWNOMMMRJPEHAJ-UHFFFAOYSA-N 2 2 209.337 2.083 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)C(C)(C)C ZINC001348074187 981272209 /nfs/dbraw/zinc/27/22/09/981272209.db2.gz DWNOMMMRJPEHAJ-UHFFFAOYSA-N 2 2 209.337 2.083 20 0 BEADLP CCN(CCC[NH+](C)C)c1cc(F)cc(C)[nH+]1 ZINC001348115184 981286929 /nfs/dbraw/zinc/28/69/29/981286929.db2.gz BYBOAJCURWMWJX-UHFFFAOYSA-N 2 2 239.338 2.307 20 0 BEADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC001203789409 981589199 /nfs/dbraw/zinc/58/91/99/981589199.db2.gz XNHYVPAQTFSVEU-KBPBESRZSA-N 2 2 248.345 2.209 20 0 BEADLP c1cc(C[NH2+]C[C@@H]2CC[NH2+]2)cc(C2CC2)c1 ZINC001580888311 981716498 /nfs/dbraw/zinc/71/64/98/981716498.db2.gz XSAONZRYQXUFHQ-AWEZNQCLSA-N 2 2 216.328 2.016 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+]C[C@@H]2CC[NH2+]2)c1 ZINC001580891955 981723765 /nfs/dbraw/zinc/72/37/65/981723765.db2.gz KKGPTQFFAVOLGP-ZDUSSCGKSA-N 2 2 216.328 2.016 20 0 BEADLP c1[nH+]c2c(cc1NC[C@@H]1CCC[NH2+]C1)CCCC2 ZINC001580897407 981734594 /nfs/dbraw/zinc/73/45/94/981734594.db2.gz QDNJZOJAQIWFJF-GFCCVEGCSA-N 2 2 245.370 2.372 20 0 BEADLP Cc1cc(NC2CC2)nc(C=C2CC[NH2+]CC2)[nH+]1 ZINC001240872347 981912774 /nfs/dbraw/zinc/91/27/74/981912774.db2.gz BCFFQYARDGWSRO-UHFFFAOYSA-N 2 2 244.342 2.126 20 0 BEADLP C[C@@H]([NH3+])c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241170046 982310823 /nfs/dbraw/zinc/31/08/23/982310823.db2.gz UZWHCJGTZGLYDL-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP Nc1cc(-c2ccc3[nH]cc(C[NH3+])c3c2)cc[nH+]1 ZINC001241176293 982327445 /nfs/dbraw/zinc/32/74/45/982327445.db2.gz YWOVCYKOTCCDPQ-UHFFFAOYSA-N 2 2 238.294 2.271 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)o1 ZINC001205761067 982403592 /nfs/dbraw/zinc/40/35/92/982403592.db2.gz FZFJMENXMOBOPN-JTQLQIEISA-N 2 2 244.285 2.004 20 0 BEADLP Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)o1 ZINC001205761067 982403596 /nfs/dbraw/zinc/40/35/96/982403596.db2.gz FZFJMENXMOBOPN-JTQLQIEISA-N 2 2 244.285 2.004 20 0 BEADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccs2)CCC1(F)F ZINC001205761650 982407061 /nfs/dbraw/zinc/40/70/61/982407061.db2.gz JALSOZMCICNQHU-SECBINFHSA-N 2 2 246.326 2.164 20 0 BEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccs2)CCC1(F)F ZINC001205761650 982407064 /nfs/dbraw/zinc/40/70/64/982407064.db2.gz JALSOZMCICNQHU-SECBINFHSA-N 2 2 246.326 2.164 20 0 BEADLP c1[nH+]cn2c1CN(c1cc[nH+]cc1C1CC1)CC2 ZINC001352115750 982477965 /nfs/dbraw/zinc/47/79/65/982477965.db2.gz GAEPLNDOOHCQBW-UHFFFAOYSA-N 2 2 240.310 2.176 20 0 BEADLP CNc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205838159 982698099 /nfs/dbraw/zinc/69/80/99/982698099.db2.gz BABYIKWGRISICC-JSGCOSHPSA-N 2 2 247.386 2.288 20 0 BEADLP CNc1ccccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205838159 982698120 /nfs/dbraw/zinc/69/81/20/982698120.db2.gz BABYIKWGRISICC-JSGCOSHPSA-N 2 2 247.386 2.288 20 0 BEADLP C[C@H](C[NH2+]C/C=C\c1ccc(F)cc1)[NH+](C)C ZINC001200232179 982707634 /nfs/dbraw/zinc/70/76/34/982707634.db2.gz ISHCXDRWNYXZIX-QMAVJUDZSA-N 2 2 236.334 2.379 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)n1 ZINC001205838866 982724875 /nfs/dbraw/zinc/72/48/75/982724875.db2.gz DJTKVHWMZBVHCI-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)n1 ZINC001205838866 982724892 /nfs/dbraw/zinc/72/48/92/982724892.db2.gz DJTKVHWMZBVHCI-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Nc1cn2ccc(-c3ccc(C[NH3+])cc3)cc2[nH+]1 ZINC001241913169 983129587 /nfs/dbraw/zinc/12/95/87/983129587.db2.gz NGJHWEQGFWZDPJ-UHFFFAOYSA-N 2 2 238.294 2.042 20 0 BEADLP COc1cc(Nc2ccc(N)[nH+]c2)[nH+]cc1C ZINC001201279959 983158920 /nfs/dbraw/zinc/15/89/20/983158920.db2.gz WOOKTPUQFOMGTN-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP Cc1cn2cc(Nc3ccc(N)[nH+]c3)ccc2[nH+]1 ZINC001201278918 983179184 /nfs/dbraw/zinc/17/91/84/983179184.db2.gz PITSGBVRBUVYAN-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201429826 983229056 /nfs/dbraw/zinc/22/90/56/983229056.db2.gz XGXFRVGILRDPKA-RRFJBIMHSA-N 2 2 234.387 2.369 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201429826 983229060 /nfs/dbraw/zinc/22/90/60/983229060.db2.gz XGXFRVGILRDPKA-RRFJBIMHSA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201429826 983229066 /nfs/dbraw/zinc/22/90/66/983229066.db2.gz XGXFRVGILRDPKA-RRFJBIMHSA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]21 ZINC001201429826 983229071 /nfs/dbraw/zinc/22/90/71/983229071.db2.gz XGXFRVGILRDPKA-RRFJBIMHSA-N 2 2 234.387 2.369 20 0 BEADLP CN(C)c1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC001242024524 983235911 /nfs/dbraw/zinc/23/59/11/983235911.db2.gz YKMJWRKTAUPORD-OLZOCXBDSA-N 2 2 229.327 2.055 20 0 BEADLP CC[C@@H](C)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201508994 983273331 /nfs/dbraw/zinc/27/33/31/983273331.db2.gz LIOJIKSIWNPNDZ-CYBMUJFWSA-N 2 2 242.407 2.075 20 0 BEADLP CC[C@@H](C)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201508994 983273343 /nfs/dbraw/zinc/27/33/43/983273343.db2.gz LIOJIKSIWNPNDZ-CYBMUJFWSA-N 2 2 242.407 2.075 20 0 BEADLP CC[C@H](C)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201511345 983274919 /nfs/dbraw/zinc/27/49/19/983274919.db2.gz JOQIGRGGTTUWGP-LBPRGKRZSA-N 2 2 212.381 2.449 20 0 BEADLP CC[C@H](C)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201511345 983274929 /nfs/dbraw/zinc/27/49/29/983274929.db2.gz JOQIGRGGTTUWGP-LBPRGKRZSA-N 2 2 212.381 2.449 20 0 BEADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001201482151 983284875 /nfs/dbraw/zinc/28/48/75/983284875.db2.gz GTDFPZFTSSXQHJ-ZDUSSCGKSA-N 2 2 234.343 2.499 20 0 BEADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC(C)C)C1 ZINC001201482151 983284889 /nfs/dbraw/zinc/28/48/89/983284889.db2.gz GTDFPZFTSSXQHJ-ZDUSSCGKSA-N 2 2 234.343 2.499 20 0 BEADLP CC[N@H+](CCCSC)C1CC[NH+](C)CC1 ZINC001201689859 983440037 /nfs/dbraw/zinc/44/00/37/983440037.db2.gz JWRCKCIQXDFFKJ-UHFFFAOYSA-N 2 2 230.421 2.156 20 0 BEADLP CC[N@@H+](CCCSC)C1CC[NH+](C)CC1 ZINC001201689859 983440043 /nfs/dbraw/zinc/44/00/43/983440043.db2.gz JWRCKCIQXDFFKJ-UHFFFAOYSA-N 2 2 230.421 2.156 20 0 BEADLP C[NH2+]Cc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001242997878 984363692 /nfs/dbraw/zinc/36/36/92/984363692.db2.gz QWGMPNUKRCIJKX-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275044961 984446227 /nfs/dbraw/zinc/44/62/27/984446227.db2.gz INZHGAJHAJNYTI-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275044961 984446234 /nfs/dbraw/zinc/44/62/34/984446234.db2.gz INZHGAJHAJNYTI-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275044961 984446237 /nfs/dbraw/zinc/44/62/37/984446237.db2.gz INZHGAJHAJNYTI-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275044961 984446247 /nfs/dbraw/zinc/44/62/47/984446247.db2.gz INZHGAJHAJNYTI-HNNXBMFYSA-N 2 2 247.386 2.323 20 0 BEADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccccc1)C2 ZINC001275109888 984493558 /nfs/dbraw/zinc/49/35/58/984493558.db2.gz FXIHXTGLOXKHPL-CVEARBPZSA-N 2 2 244.382 2.255 20 0 BEADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCc1ccccc1)C2 ZINC001275109888 984493568 /nfs/dbraw/zinc/49/35/68/984493568.db2.gz FXIHXTGLOXKHPL-CVEARBPZSA-N 2 2 244.382 2.255 20 0 BEADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCc1ccccc1)C2 ZINC001275109888 984493572 /nfs/dbraw/zinc/49/35/72/984493572.db2.gz FXIHXTGLOXKHPL-CVEARBPZSA-N 2 2 244.382 2.255 20 0 BEADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCc1ccccc1)C2 ZINC001275109888 984493581 /nfs/dbraw/zinc/49/35/81/984493581.db2.gz FXIHXTGLOXKHPL-CVEARBPZSA-N 2 2 244.382 2.255 20 0 BEADLP C1=C(c2cc(N3CCCCC3)cc[nH+]2)C[NH2+]C1 ZINC001243110475 984573096 /nfs/dbraw/zinc/57/30/96/984573096.db2.gz OSOMLPNUXFCDGE-UHFFFAOYSA-N 2 2 229.327 2.059 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC001578638551 985246670 /nfs/dbraw/zinc/24/66/70/985246670.db2.gz PLVMIJJPBJOONK-VIFPVBQESA-N 2 2 244.741 2.219 20 0 BEADLP C(=C/C1CC[NH2+]CC1)\c1cccc2[nH+]ccn21 ZINC001243897479 985583025 /nfs/dbraw/zinc/58/30/25/985583025.db2.gz ZJYDVTOXYKTHDO-SNAWJCMRSA-N 2 2 227.311 2.347 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccco1 ZINC001258198631 985593027 /nfs/dbraw/zinc/59/30/27/985593027.db2.gz IXCFEAFOBUZPMI-CYBMUJFWSA-N 2 2 247.342 2.429 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccco1 ZINC001258198631 985593013 /nfs/dbraw/zinc/59/30/13/985593013.db2.gz IXCFEAFOBUZPMI-CYBMUJFWSA-N 2 2 247.342 2.429 20 0 BEADLP CC[N@H+](C)[C@@H]1CCN(Cc2cc(C)cc(C)[nH+]2)C1 ZINC001460985438 985984136 /nfs/dbraw/zinc/98/41/36/985984136.db2.gz BLKKPEVKNCLUNE-OAHLLOKOSA-N 2 2 247.386 2.224 20 0 BEADLP CC[N@@H+](C)[C@@H]1CCN(Cc2cc(C)cc(C)[nH+]2)C1 ZINC001460985438 985984146 /nfs/dbraw/zinc/98/41/46/985984146.db2.gz BLKKPEVKNCLUNE-OAHLLOKOSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]2)ccc1Cl ZINC001579601299 986128260 /nfs/dbraw/zinc/12/82/60/986128260.db2.gz MOYBWBUSJBXTKO-NSHDSACASA-N 2 2 224.735 2.100 20 0 BEADLP Cc1cccc(C[NH2+][C@]2(C[NH3+])CCCC[C@@H]2C)n1 ZINC001579760190 986209504 /nfs/dbraw/zinc/20/95/04/986209504.db2.gz BAMWMYMDFMASTP-WFASDCNBSA-N 2 2 247.386 2.387 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC001462480794 986405253 /nfs/dbraw/zinc/40/52/53/986405253.db2.gz QGPYJWPTWMTZIP-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCS2)C1 ZINC001462480794 986405257 /nfs/dbraw/zinc/40/52/57/986405257.db2.gz QGPYJWPTWMTZIP-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CNc1cc(-c2cccc(C[NH3+])c2)cc[nH+]1 ZINC001244973784 986556063 /nfs/dbraw/zinc/55/60/63/986556063.db2.gz QZYNHLKDWTYALI-UHFFFAOYSA-N 2 2 213.284 2.249 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2c1cccc2F ZINC000380781304 986709509 /nfs/dbraw/zinc/70/95/09/986709509.db2.gz BWNOYXQFJCWYRX-ZANVPECISA-N 2 2 222.307 2.092 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC000380781304 986709515 /nfs/dbraw/zinc/70/95/15/986709515.db2.gz BWNOYXQFJCWYRX-ZANVPECISA-N 2 2 222.307 2.092 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)[nH]1 ZINC001137331270 986791625 /nfs/dbraw/zinc/79/16/25/986791625.db2.gz XIZSVXLKZMTEBT-UKRRQHHQSA-N 2 2 247.386 2.015 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)[nH]1 ZINC001137331270 986791641 /nfs/dbraw/zinc/79/16/41/986791641.db2.gz XIZSVXLKZMTEBT-UKRRQHHQSA-N 2 2 247.386 2.015 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1[nH]c(C)cc1C ZINC001137332447 986800319 /nfs/dbraw/zinc/80/03/19/986800319.db2.gz VAQMUNOHHSXLMB-UHFFFAOYSA-N 2 2 237.391 2.405 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1[nH]c(C)cc1C ZINC001137332447 986800322 /nfs/dbraw/zinc/80/03/22/986800322.db2.gz VAQMUNOHHSXLMB-UHFFFAOYSA-N 2 2 237.391 2.405 20 0 BEADLP C1CC([N@@H+]2CC[C@H]([NH2+]C3CCSCC3)C2)C1 ZINC001255084527 986810566 /nfs/dbraw/zinc/81/05/66/986810566.db2.gz QZIRVDLXBNFEBE-LBPRGKRZSA-N 2 2 240.416 2.098 20 0 BEADLP C1CC([N@H+]2CC[C@H]([NH2+]C3CCSCC3)C2)C1 ZINC001255084527 986810572 /nfs/dbraw/zinc/81/05/72/986810572.db2.gz QZIRVDLXBNFEBE-LBPRGKRZSA-N 2 2 240.416 2.098 20 0 BEADLP Cc1cc(-c2ccc3c(c2)C[NH2+]CC3)c[nH+]c1N ZINC001245537668 986921532 /nfs/dbraw/zinc/92/15/32/986921532.db2.gz UGLMSUUWQICCKY-UHFFFAOYSA-N 2 2 239.322 2.285 20 0 BEADLP Cc1cc(-c2cccn3c[nH+]cc23)c[nH+]c1N ZINC001245540130 986926361 /nfs/dbraw/zinc/92/63/61/986926361.db2.gz OIQOSAMWZSMYSD-UHFFFAOYSA-N 2 2 224.267 2.287 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246075260 987362519 /nfs/dbraw/zinc/36/25/19/987362519.db2.gz DRELQPFOSNEGSL-YIZRAAEISA-N 2 2 224.270 2.057 20 0 BEADLP C[C@H](CC[NH2+]Cc1ccc(Cl)o1)[NH+](C)C ZINC000697890569 987366622 /nfs/dbraw/zinc/36/66/22/987366622.db2.gz WVZGCFXPRLZUDG-SECBINFHSA-N 2 2 230.739 2.363 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)C[C@@H](C)C1 ZINC001246085252 987383787 /nfs/dbraw/zinc/38/37/87/987383787.db2.gz HSEKUCWOMMJWBS-CKIKVBCHSA-N 2 2 228.355 2.101 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088161 987388697 /nfs/dbraw/zinc/38/86/97/987388697.db2.gz RQAOMDQFSZBOAB-SDDRHHMPSA-N 2 2 216.344 2.245 20 0 BEADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246088200 987390189 /nfs/dbraw/zinc/39/01/89/987390189.db2.gz SFZHBPGQNFGIMR-SRVKXCTJSA-N 2 2 228.355 2.245 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246089175 987392878 /nfs/dbraw/zinc/39/28/78/987392878.db2.gz ZRZIXBDAHNYOGL-AXFHLTTASA-N 2 2 248.411 2.196 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246089176 987393706 /nfs/dbraw/zinc/39/37/06/987393706.db2.gz ZRZIXBDAHNYOGL-DCAQKATOSA-N 2 2 248.411 2.196 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246091573 987397790 /nfs/dbraw/zinc/39/77/90/987397790.db2.gz DSVINJBQTZEMJQ-IHRRRGAJSA-N 2 2 242.407 2.169 20 0 BEADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093539 987401414 /nfs/dbraw/zinc/40/14/14/987401414.db2.gz OIWDXBHQUYEOGV-KGLIPLIRSA-N 2 2 242.407 2.169 20 0 BEADLP CCCC[C@@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246094429 987405411 /nfs/dbraw/zinc/40/54/11/987405411.db2.gz XPQYRRAGRLDVPF-WOPDTQHZSA-N 2 2 216.344 2.245 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+]CC1(O)C[NH2+]C1 ZINC001246095348 987406415 /nfs/dbraw/zinc/40/64/15/987406415.db2.gz FXYATOHUWFMMDX-CYBMUJFWSA-N 2 2 242.407 2.049 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccccc2)C1 ZINC000401218853 987417328 /nfs/dbraw/zinc/41/73/28/987417328.db2.gz XGEDOOLPAFSSCL-ZIAGYGMSSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccccc2)C1 ZINC000401218853 987417342 /nfs/dbraw/zinc/41/73/42/987417342.db2.gz XGEDOOLPAFSSCL-ZIAGYGMSSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2F)C[C@H]1C ZINC001246101593 987424168 /nfs/dbraw/zinc/42/41/68/987424168.db2.gz VSOCZIRTRBZEQW-UJPOAAIJSA-N 2 2 228.355 2.101 20 0 BEADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246100959 987425192 /nfs/dbraw/zinc/42/51/92/987425192.db2.gz USFAFMHNUJZDDW-GRYCIOLGSA-N 2 2 216.344 2.101 20 0 BEADLP CC(C)C1CCC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001246108257 987439106 /nfs/dbraw/zinc/43/91/06/987439106.db2.gz IXNITGYAMJKXMV-HHTDUIENSA-N 2 2 242.382 2.491 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246118857 987463219 /nfs/dbraw/zinc/46/32/19/987463219.db2.gz BKDFTNXQDZEWMJ-HZSPNIEDSA-N 2 2 242.407 2.441 20 0 BEADLP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC001246125919 987470861 /nfs/dbraw/zinc/47/08/61/987470861.db2.gz IQEGGOJGVUSXOW-STQMWFEESA-N 2 2 248.345 2.025 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N)c1 ZINC001246177916 987546715 /nfs/dbraw/zinc/54/67/15/987546715.db2.gz VQSNWXNAPGVWOR-UHIISALHSA-N 2 2 233.359 2.060 20 0 BEADLP Cc1c(F)cccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246224363 987621699 /nfs/dbraw/zinc/62/16/99/987621699.db2.gz FYFIWJXJPYHSFW-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1c(F)cccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246224353 987623382 /nfs/dbraw/zinc/62/33/82/987623382.db2.gz FYFIWJXJPYHSFW-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNc3ccccc32)C[NH2+]1 ZINC001246229910 987627435 /nfs/dbraw/zinc/62/74/35/987627435.db2.gz LWTPRBXLSTYHSA-LALPHHSUSA-N 2 2 245.370 2.273 20 0 BEADLP Cc1ccccc1OC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246240325 987642697 /nfs/dbraw/zinc/64/26/97/987642697.db2.gz UZWDMAQGQSGUKG-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]C[C@H]1O ZINC001246240199 987643166 /nfs/dbraw/zinc/64/31/66/987643166.db2.gz NHHPMOLMNPNQGL-HZSPNIEDSA-N 2 2 242.407 2.048 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1N ZINC001246293631 987685137 /nfs/dbraw/zinc/68/51/37/987685137.db2.gz TYXKXLVNYNZEBK-WOPDTQHZSA-N 2 2 233.359 2.060 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1N ZINC001246293629 987686985 /nfs/dbraw/zinc/68/69/85/987686985.db2.gz TYXKXLVNYNZEBK-IJLUTSLNSA-N 2 2 233.359 2.060 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1N ZINC001246293627 987687084 /nfs/dbraw/zinc/68/70/84/987687084.db2.gz TYXKXLVNYNZEBK-GRYCIOLGSA-N 2 2 233.359 2.060 20 0 BEADLP c1cc2ccncc2c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246298021 987695313 /nfs/dbraw/zinc/69/53/13/987695313.db2.gz ZEPXLUBRSACREE-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP CC[NH+]1CCC(C[N@H+](CC(F)F)C2CC2)CC1 ZINC001474380103 987702193 /nfs/dbraw/zinc/70/21/93/987702193.db2.gz LAJJWXHKKPJUDZ-UHFFFAOYSA-N 2 2 246.345 2.448 20 0 BEADLP CC[NH+]1CCC(C[N@@H+](CC(F)F)C2CC2)CC1 ZINC001474380103 987702194 /nfs/dbraw/zinc/70/21/94/987702194.db2.gz LAJJWXHKKPJUDZ-UHFFFAOYSA-N 2 2 246.345 2.448 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C[C@H]1C ZINC001246337268 987746467 /nfs/dbraw/zinc/74/64/67/987746467.db2.gz QRYMRHZMRGJPSM-FVCCEPFGSA-N 2 2 242.432 2.106 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+]CC[NH2+]CCO ZINC001246377532 987775919 /nfs/dbraw/zinc/77/59/19/987775919.db2.gz GACAQBBNJRVLDA-AWEZNQCLSA-N 2 2 244.423 2.297 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246372271 987776932 /nfs/dbraw/zinc/77/69/32/987776932.db2.gz ZMBIRXQBADUKOG-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP CCCC(C[NH3+])(CCC)[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246494152 987850127 /nfs/dbraw/zinc/85/01/27/987850127.db2.gz FKZZYRRELZCXSO-ZDUSSCGKSA-N 3 2 241.423 2.016 20 0 BEADLP [NH3+]C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001246505497 987859107 /nfs/dbraw/zinc/85/91/07/987859107.db2.gz COKVQUGMMPRGFI-XJFOESAGSA-N 2 2 216.328 2.075 20 0 BEADLP CCSC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508198 987862096 /nfs/dbraw/zinc/86/20/96/987862096.db2.gz RGRVWJQRBAGWKK-WCQYABFASA-N 2 2 238.400 2.418 20 0 BEADLP Cc1cncc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246521079 987868209 /nfs/dbraw/zinc/86/82/09/987868209.db2.gz YZSCOBDLZXWCSR-GJZGRUSLSA-N 2 2 245.370 2.183 20 0 BEADLP C[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551213 987944878 /nfs/dbraw/zinc/94/48/78/987944878.db2.gz XKSXNHJXUNGNRH-OCCSQVGLSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551213 987944893 /nfs/dbraw/zinc/94/48/93/987944893.db2.gz XKSXNHJXUNGNRH-OCCSQVGLSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H]1CCC[NH2+]1 ZINC001118057290 987990017 /nfs/dbraw/zinc/99/00/17/987990017.db2.gz CGOQPYMDHDSUQR-MLGOLLRUSA-N 2 2 244.382 2.405 20 0 BEADLP Cc1cccc2c1C[N@H+]([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246569008 988042618 /nfs/dbraw/zinc/04/26/18/988042618.db2.gz UPWIGPLXTNBPFT-JSGCOSHPSA-N 2 2 230.355 2.451 20 0 BEADLP Cc1cccc2c1C[N@@H+]([C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246569008 988042636 /nfs/dbraw/zinc/04/26/36/988042636.db2.gz UPWIGPLXTNBPFT-JSGCOSHPSA-N 2 2 230.355 2.451 20 0 BEADLP CSCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572500 988058613 /nfs/dbraw/zinc/05/86/13/988058613.db2.gz AEWBONFVZIFPLG-VXGBXAGGSA-N 2 2 248.411 2.281 20 0 BEADLP CSCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572500 988058627 /nfs/dbraw/zinc/05/86/27/988058627.db2.gz AEWBONFVZIFPLG-VXGBXAGGSA-N 2 2 248.411 2.281 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH+]1CC(C)(C[NH3+])C1 ZINC001246593796 988189624 /nfs/dbraw/zinc/18/96/24/988189624.db2.gz FGOJLUBLOPUGII-NSHDSACASA-N 2 2 236.334 2.037 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637004 988332739 /nfs/dbraw/zinc/33/27/39/988332739.db2.gz IIZLUQXGDFMESW-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637004 988332757 /nfs/dbraw/zinc/33/27/57/988332757.db2.gz IIZLUQXGDFMESW-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246657583 988387163 /nfs/dbraw/zinc/38/71/63/988387163.db2.gz ONUKYASBJOVDSF-XDQVBPFNSA-N 2 2 240.391 2.003 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246657583 988387169 /nfs/dbraw/zinc/38/71/69/988387169.db2.gz ONUKYASBJOVDSF-XDQVBPFNSA-N 2 2 240.391 2.003 20 0 BEADLP CCCC(CCC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246661098 988394890 /nfs/dbraw/zinc/39/48/90/988394890.db2.gz TYQCAJJJEWOIPR-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP CCCC(CCC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246661098 988394910 /nfs/dbraw/zinc/39/49/10/988394910.db2.gz TYQCAJJJEWOIPR-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775773 988453388 /nfs/dbraw/zinc/45/33/88/988453388.db2.gz LDLUTRWJNWSZJP-VHDGCEQUSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775773 988453398 /nfs/dbraw/zinc/45/33/98/988453398.db2.gz LDLUTRWJNWSZJP-VHDGCEQUSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827747 988514933 /nfs/dbraw/zinc/51/49/33/988514933.db2.gz QMRDMBKNULLBJB-NHYWBVRUSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827747 988514937 /nfs/dbraw/zinc/51/49/37/988514937.db2.gz QMRDMBKNULLBJB-NHYWBVRUSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246859278 988589971 /nfs/dbraw/zinc/58/99/71/988589971.db2.gz JCWBCMKCAGATLQ-KYOSRNDESA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246859278 988589993 /nfs/dbraw/zinc/58/99/93/988589993.db2.gz JCWBCMKCAGATLQ-KYOSRNDESA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246874964 988644685 /nfs/dbraw/zinc/64/46/85/988644685.db2.gz YACZOTQEKGIESG-SWLSCSKDSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246874964 988644693 /nfs/dbraw/zinc/64/46/93/988644693.db2.gz YACZOTQEKGIESG-SWLSCSKDSA-N 2 2 230.355 2.185 20 0 BEADLP CC[N@H+](CC[NH2+]C)[C@@H](C)Cc1ccccc1F ZINC001246890695 988659353 /nfs/dbraw/zinc/65/93/53/988659353.db2.gz KJYBATAYCXZCJQ-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP CC[N@@H+](CC[NH2+]C)[C@@H](C)Cc1ccccc1F ZINC001246890695 988659358 /nfs/dbraw/zinc/65/93/58/988659358.db2.gz KJYBATAYCXZCJQ-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP CC(C)(C)C1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246920175 988724677 /nfs/dbraw/zinc/72/46/77/988724677.db2.gz PBCAMAVKPBJXOL-ABXWRUBCSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246920175 988724690 /nfs/dbraw/zinc/72/46/90/988724690.db2.gz PBCAMAVKPBJXOL-ABXWRUBCSA-N 2 2 236.403 2.495 20 0 BEADLP CCCCC[C@H](CCC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983503 988816866 /nfs/dbraw/zinc/81/68/66/988816866.db2.gz SMWBDHIOFFWJKB-MELADBBJSA-N 2 2 242.407 2.393 20 0 BEADLP CCCCC[C@H](CCC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983503 988816867 /nfs/dbraw/zinc/81/68/67/988816867.db2.gz SMWBDHIOFFWJKB-MELADBBJSA-N 2 2 242.407 2.393 20 0 BEADLP C[C@H]1CCN(c2cc[nH+]cc2)C[C@@H]1n1cc[nH+]c1 ZINC001120860854 989929873 /nfs/dbraw/zinc/92/98/73/989929873.db2.gz UHKWYPFQFBKNMP-JSGCOSHPSA-N 2 2 242.326 2.366 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)[nH+]c1 ZINC001121009043 989999334 /nfs/dbraw/zinc/99/93/34/989999334.db2.gz MZXGBMBLCNMHTB-MELADBBJSA-N 2 2 245.370 2.396 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)[nH+]c1 ZINC001121009043 989999339 /nfs/dbraw/zinc/99/93/39/989999339.db2.gz MZXGBMBLCNMHTB-MELADBBJSA-N 2 2 245.370 2.396 20 0 BEADLP c1nc(C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC001308297441 990964736 /nfs/dbraw/zinc/96/47/36/990964736.db2.gz IBCHQBVLDGSVNF-UHFFFAOYSA-N 2 2 248.355 2.130 20 0 BEADLP CC(C)=CCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258084595 990983189 /nfs/dbraw/zinc/98/31/89/990983189.db2.gz XDUWDFIBGUXZSS-GFCCVEGCSA-N 2 2 210.365 2.273 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258182142 991083184 /nfs/dbraw/zinc/08/31/84/991083184.db2.gz WOKKSUSIVYXXMH-STQMWFEESA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258182142 991083188 /nfs/dbraw/zinc/08/31/88/991083188.db2.gz WOKKSUSIVYXXMH-STQMWFEESA-N 2 2 248.370 2.427 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258182695 991083232 /nfs/dbraw/zinc/08/32/32/991083232.db2.gz APZJIHQTAKGSTK-TZMCWYRMSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258182695 991083239 /nfs/dbraw/zinc/08/32/39/991083239.db2.gz APZJIHQTAKGSTK-TZMCWYRMSA-N 2 2 236.359 2.285 20 0 BEADLP CSC(C)(C)C[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258325892 991249973 /nfs/dbraw/zinc/24/99/73/991249973.db2.gz GBNDLAOEWDQBSL-SNVBAGLBSA-N 2 2 230.421 2.058 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)CC1CC1)C2 ZINC001258465051 991425976 /nfs/dbraw/zinc/42/59/76/991425976.db2.gz MVANUNYFXLYUGU-SNVBAGLBSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258465051 991425984 /nfs/dbraw/zinc/42/59/84/991425984.db2.gz MVANUNYFXLYUGU-SNVBAGLBSA-N 2 2 219.332 2.196 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1cccnc1 ZINC001258610858 991533719 /nfs/dbraw/zinc/53/37/19/991533719.db2.gz YIHHSUZWMHTRAZ-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1cccnc1 ZINC001258610858 991533726 /nfs/dbraw/zinc/53/37/26/991533726.db2.gz YIHHSUZWMHTRAZ-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258612889 991535028 /nfs/dbraw/zinc/53/50/28/991535028.db2.gz HUIUXFMMRYLHML-KBPBESRZSA-N 2 2 247.386 2.087 20 0 BEADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001258652219 991587789 /nfs/dbraw/zinc/58/77/89/991587789.db2.gz QDUWOTJESXXHSD-MGPQQGTHSA-N 2 2 218.344 2.087 20 0 BEADLP CCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001258706993 991638272 /nfs/dbraw/zinc/63/82/72/991638272.db2.gz ZJQXUDQKIBURIA-RBSFLKMASA-N 2 2 232.371 2.477 20 0 BEADLP CS[C@H]1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441770 991869288 /nfs/dbraw/zinc/86/92/88/991869288.db2.gz CSCLBPBDZVKHHN-RYUDHWBXSA-N 2 2 239.388 2.099 20 0 BEADLP CS[C@H]1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441770 991869294 /nfs/dbraw/zinc/86/92/94/991869294.db2.gz CSCLBPBDZVKHHN-RYUDHWBXSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(F)F ZINC001262160397 992721873 /nfs/dbraw/zinc/72/18/73/992721873.db2.gz DHPXOBQHPVMBTI-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(F)F ZINC001262160397 992721881 /nfs/dbraw/zinc/72/18/81/992721881.db2.gz DHPXOBQHPVMBTI-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(F)F ZINC001262160396 992724696 /nfs/dbraw/zinc/72/46/96/992724696.db2.gz DHPXOBQHPVMBTI-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(F)F ZINC001262160396 992724701 /nfs/dbraw/zinc/72/47/01/992724701.db2.gz DHPXOBQHPVMBTI-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C/C=C\Cl ZINC001575130784 992994238 /nfs/dbraw/zinc/99/42/38/992994238.db2.gz PWUOGOZTBLWGFC-VAWSOJLPSA-N 2 2 218.772 2.482 20 0 BEADLP CCc1ccc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC001262682868 993022766 /nfs/dbraw/zinc/02/27/66/993022766.db2.gz NQEVCEIUIRYBSK-ZDUSSCGKSA-N 2 2 233.359 2.398 20 0 BEADLP CCc1ccc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC001262682868 993022771 /nfs/dbraw/zinc/02/27/71/993022771.db2.gz NQEVCEIUIRYBSK-ZDUSSCGKSA-N 2 2 233.359 2.398 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCc1ccc(F)cc1Cl ZINC001576005368 993153231 /nfs/dbraw/zinc/15/32/31/993153231.db2.gz LWGMVCHMLWRTJU-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1ccc(F)cc1Cl ZINC001576005368 993153236 /nfs/dbraw/zinc/15/32/36/993153236.db2.gz LWGMVCHMLWRTJU-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP CC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC000379922788 993295209 /nfs/dbraw/zinc/29/52/09/993295209.db2.gz IZAMSVUJRNHTBR-JTQLQIEISA-N 2 2 203.289 2.222 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC000380781302 993346440 /nfs/dbraw/zinc/34/64/40/993346440.db2.gz BWNOYXQFJCWYRX-TVQRCGJNSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC000380781302 993346447 /nfs/dbraw/zinc/34/64/47/993346447.db2.gz BWNOYXQFJCWYRX-TVQRCGJNSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccns1 ZINC001576690349 993394991 /nfs/dbraw/zinc/39/49/91/993394991.db2.gz JSUYAIBZNQVRBC-JQWIXIFHSA-N 2 2 239.388 2.140 20 0 BEADLP Cc1cc(N2CCC[C@@H]([NH3+])[C@H]2C)nc(C(C)C)[nH+]1 ZINC000381424497 993395301 /nfs/dbraw/zinc/39/53/01/993395301.db2.gz BGGVTPJKXMARKJ-VXGBXAGGSA-N 2 2 248.374 2.224 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1sccc1C ZINC000383609012 993504949 /nfs/dbraw/zinc/50/49/49/993504949.db2.gz DVGLVCNBQHIIAV-JTQLQIEISA-N 2 2 212.362 2.226 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1sccc1C ZINC000383609012 993504958 /nfs/dbraw/zinc/50/49/58/993504958.db2.gz DVGLVCNBQHIIAV-JTQLQIEISA-N 2 2 212.362 2.226 20 0 BEADLP CCC[C@@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC001577357660 993616559 /nfs/dbraw/zinc/61/65/59/993616559.db2.gz DQWVYJCPRIZSQE-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[C@@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC001577357660 993616565 /nfs/dbraw/zinc/61/65/65/993616565.db2.gz DQWVYJCPRIZSQE-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP COC1CCC([NH2+][C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000389255296 993744176 /nfs/dbraw/zinc/74/41/76/993744176.db2.gz CCFVDCKWEOCDRW-ROKHWSDSSA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000389255296 993744168 /nfs/dbraw/zinc/74/41/68/993744168.db2.gz CCFVDCKWEOCDRW-ROKHWSDSSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2cc(C)ccn2)CC1 ZINC000392751870 993882148 /nfs/dbraw/zinc/88/21/48/993882148.db2.gz DSIPHIYJRZGOTM-UHFFFAOYSA-N 2 2 247.386 2.354 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000724784724 994078402 /nfs/dbraw/zinc/07/84/02/994078402.db2.gz NGZPNBVQAATDGS-AAEUAGOBSA-N 2 2 219.332 2.483 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000724784724 994078410 /nfs/dbraw/zinc/07/84/10/994078410.db2.gz NGZPNBVQAATDGS-AAEUAGOBSA-N 2 2 219.332 2.483 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001620789691 1170130013 /nfs/dbraw/zinc/13/00/13/1170130013.db2.gz GCCVCPLVEOFQCE-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001620789691 1170130015 /nfs/dbraw/zinc/13/00/15/1170130015.db2.gz GCCVCPLVEOFQCE-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001620470521 1170671956 /nfs/dbraw/zinc/67/19/56/1170671956.db2.gz JCOOWUCPNGGPNR-ZSHCYNCHSA-N 2 2 244.382 2.295 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1 ZINC001620470521 1170671961 /nfs/dbraw/zinc/67/19/61/1170671961.db2.gz JCOOWUCPNGGPNR-ZSHCYNCHSA-N 2 2 244.382 2.295 20 0 BEADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000035054379 1170902409 /nfs/dbraw/zinc/90/24/09/1170902409.db2.gz YFLOKZXKZNHEAG-UHFFFAOYSA-N 2 2 234.343 2.304 20 0 BEADLP CCC[N@H+](CC[NH2+]C)Cc1ccccc1 ZINC000042404156 1171225712 /nfs/dbraw/zinc/22/57/12/1171225712.db2.gz SUOYPNRCHVETMU-UHFFFAOYSA-N 2 2 206.333 2.118 20 0 BEADLP CCC[N@@H+](CC[NH2+]C)Cc1ccccc1 ZINC000042404156 1171225717 /nfs/dbraw/zinc/22/57/17/1171225717.db2.gz SUOYPNRCHVETMU-UHFFFAOYSA-N 2 2 206.333 2.118 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050228022 1171777424 /nfs/dbraw/zinc/77/74/24/1171777424.db2.gz SNLVWYLPNRWNOW-NSHDSACASA-N 2 2 229.327 2.009 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000050228022 1171777431 /nfs/dbraw/zinc/77/74/31/1171777431.db2.gz SNLVWYLPNRWNOW-NSHDSACASA-N 2 2 229.327 2.009 20 0 BEADLP CC[NH2+]CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346689 1171794365 /nfs/dbraw/zinc/79/43/65/1171794365.db2.gz GGJRYKYOLPRCTD-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cscn1 ZINC000161211970 538914996 /nfs/dbraw/zinc/91/49/96/538914996.db2.gz KKJZKUTZDNYXPX-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cscn1 ZINC000161211970 538914997 /nfs/dbraw/zinc/91/49/97/538914997.db2.gz KKJZKUTZDNYXPX-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP Cc1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc[nH+]1 ZINC000235842956 136211138 /nfs/dbraw/zinc/21/11/38/136211138.db2.gz MDUHDSNUZRXHLI-LBPRGKRZSA-N 2 2 247.342 2.107 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000378684632 346808663 /nfs/dbraw/zinc/80/86/63/346808663.db2.gz DJULHDAOZMMGKZ-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000378684632 346808665 /nfs/dbraw/zinc/80/86/65/346808665.db2.gz DJULHDAOZMMGKZ-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc2ccccc2[nH+]c1N1CCC([NH3+])CC1 ZINC000063105169 349506049 /nfs/dbraw/zinc/50/60/49/349506049.db2.gz RNNOUTZGHJURBI-UHFFFAOYSA-N 2 2 241.338 2.471 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422939152 398158693 /nfs/dbraw/zinc/15/86/93/398158693.db2.gz HVDBACQNMRYLKC-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188419 349500344 /nfs/dbraw/zinc/50/03/44/349500344.db2.gz GMVCZWXZTOHFOX-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188419 349500346 /nfs/dbraw/zinc/50/03/46/349500346.db2.gz GMVCZWXZTOHFOX-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)OCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190543 349501703 /nfs/dbraw/zinc/50/17/03/349501703.db2.gz HSSHJGUUIJJASS-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190543 349501704 /nfs/dbraw/zinc/50/17/04/349501704.db2.gz HSSHJGUUIJJASS-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000092345939 178002260 /nfs/dbraw/zinc/00/22/60/178002260.db2.gz WSISHLDCPAZTDQ-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000092345939 178002262 /nfs/dbraw/zinc/00/22/62/178002262.db2.gz WSISHLDCPAZTDQ-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCCC23CCC3)c[nH+]1 ZINC000394809820 398156584 /nfs/dbraw/zinc/15/65/84/398156584.db2.gz YZMJTTAOCYPTAY-LBPRGKRZSA-N 2 2 219.332 2.196 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000339406853 398156738 /nfs/dbraw/zinc/15/67/38/398156738.db2.gz GTBZJCOSURNUMC-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000339406853 398156743 /nfs/dbraw/zinc/15/67/43/398156743.db2.gz GTBZJCOSURNUMC-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)cs1 ZINC000294854732 178023535 /nfs/dbraw/zinc/02/35/35/178023535.db2.gz VDQDZXNLUMSXJQ-UHFFFAOYSA-N 2 2 221.329 2.043 20 0 BEADLP Cc1ccc(F)c(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000313284533 398183613 /nfs/dbraw/zinc/18/36/13/398183613.db2.gz RDCRZEYEMQONRW-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1ccccn1 ZINC000415119852 398163748 /nfs/dbraw/zinc/16/37/48/398163748.db2.gz XXKWNRLXRBBYFI-NEPJUHHUSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313304712 398194136 /nfs/dbraw/zinc/19/41/36/398194136.db2.gz RNYSJRGLBRHYGW-LLVKDONJSA-N 2 2 223.364 2.377 20 0 BEADLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)c(C)c1 ZINC000313304719 398194182 /nfs/dbraw/zinc/19/41/82/398194182.db2.gz ROUHZRBOFPPLNY-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC1(C)C ZINC000336748582 398198483 /nfs/dbraw/zinc/19/84/83/398198483.db2.gz SRNXRLXVJSIHLX-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386252802 398202502 /nfs/dbraw/zinc/20/25/02/398202502.db2.gz SFAOCAATVLJXMA-CABZTGNLSA-N 2 2 237.347 2.036 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386252802 398202504 /nfs/dbraw/zinc/20/25/04/398202504.db2.gz SFAOCAATVLJXMA-CABZTGNLSA-N 2 2 237.347 2.036 20 0 BEADLP Cc1cc(NC2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC000265396211 178155261 /nfs/dbraw/zinc/15/52/61/178155261.db2.gz WJMNHWIJCBAPEW-UHFFFAOYSA-N 2 2 246.358 2.169 20 0 BEADLP CC[C@@H]([NH2+]Cc1cccc(C)n1)[C@@H]1CCC[NH2+]1 ZINC000515413406 398211277 /nfs/dbraw/zinc/21/12/77/398211277.db2.gz WKDPKELBNWYSBB-KGLIPLIRSA-N 2 2 233.359 2.010 20 0 BEADLP COc1ccc(C[N@H+](C)CCC[NH3+])c(Cl)c1 ZINC000258812393 349518472 /nfs/dbraw/zinc/51/84/72/349518472.db2.gz SRFHZZRRTQTOLI-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP COc1ccc(C[N@@H+](C)CCC[NH3+])c(Cl)c1 ZINC000258812393 349518475 /nfs/dbraw/zinc/51/84/75/349518475.db2.gz SRFHZZRRTQTOLI-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc[nH+]1 ZINC000301619441 178166849 /nfs/dbraw/zinc/16/68/49/178166849.db2.gz XCYFZKKSABLERL-ZDUSSCGKSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc[nH+]1 ZINC000301619441 178166851 /nfs/dbraw/zinc/16/68/51/178166851.db2.gz XCYFZKKSABLERL-ZDUSSCGKSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)nc[nH+]1 ZINC000301263204 178168349 /nfs/dbraw/zinc/16/83/49/178168349.db2.gz SVLOWSSACFZEDY-LBPRGKRZSA-N 2 2 236.363 2.173 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC23CC3)c[nH+]1 ZINC000644904845 398225893 /nfs/dbraw/zinc/22/58/93/398225893.db2.gz UOVGPBGIGXIXLT-CYBMUJFWSA-N 2 2 216.328 2.465 20 0 BEADLP Cc1cc(NCc2ccc(N(C)C)[nH+]c2)cc[nH+]1 ZINC000274835386 178172769 /nfs/dbraw/zinc/17/27/69/178172769.db2.gz UFVTYCIITUQHHD-UHFFFAOYSA-N 2 2 242.326 2.463 20 0 BEADLP Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])cc[nH+]1 ZINC000229576044 178181705 /nfs/dbraw/zinc/18/17/05/178181705.db2.gz QUIYZYGGVDKSGH-WCQYABFASA-N 2 2 219.332 2.319 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000576436533 365595880 /nfs/dbraw/zinc/59/58/80/365595880.db2.gz SQWYABUQIBUGEW-DOMZBBRYSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000576436533 365595890 /nfs/dbraw/zinc/59/58/90/365595890.db2.gz SQWYABUQIBUGEW-DOMZBBRYSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)o1 ZINC000235212705 178227125 /nfs/dbraw/zinc/22/71/25/178227125.db2.gz PCQJZLQDPRIEOE-ZYHUDNBSSA-N 2 2 222.332 2.299 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421365732 192334025 /nfs/dbraw/zinc/33/40/25/192334025.db2.gz CBJXQBPMWWZKCN-HIFRSBDPSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000421365732 192334028 /nfs/dbraw/zinc/33/40/28/192334028.db2.gz CBJXQBPMWWZKCN-HIFRSBDPSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000337547556 178253245 /nfs/dbraw/zinc/25/32/45/178253245.db2.gz MKOCWPMJYVIFHL-YNEHKIRRSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000337547556 178253248 /nfs/dbraw/zinc/25/32/48/178253248.db2.gz MKOCWPMJYVIFHL-YNEHKIRRSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCC[NH+](C)C)c(C)o1 ZINC000020438361 178247474 /nfs/dbraw/zinc/24/74/74/178247474.db2.gz IDVUFUREIQTTCN-NSHDSACASA-N 2 2 224.348 2.499 20 0 BEADLP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000232473105 136229235 /nfs/dbraw/zinc/22/92/35/136229235.db2.gz YOIAHIUYYNPKEG-LSDHHAIUSA-N 2 2 230.355 2.479 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C1 ZINC000381407607 398256339 /nfs/dbraw/zinc/25/63/39/398256339.db2.gz RBBAAJFERYJOIQ-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C1 ZINC000381407607 398256345 /nfs/dbraw/zinc/25/63/45/398256345.db2.gz RBBAAJFERYJOIQ-IHRRRGAJSA-N 2 2 242.407 2.121 20 0 BEADLP C[N@H+](CCOC1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000576756114 365677650 /nfs/dbraw/zinc/67/76/50/365677650.db2.gz NAROKIFJBQSINR-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP C[N@@H+](CCOC1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000576756114 365677659 /nfs/dbraw/zinc/67/76/59/365677659.db2.gz NAROKIFJBQSINR-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000169142052 538946898 /nfs/dbraw/zinc/94/68/98/538946898.db2.gz JYDIAJYNMCOFTI-NWDGAFQWSA-N 2 2 247.342 2.129 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169142052 538946899 /nfs/dbraw/zinc/94/68/99/538946899.db2.gz JYDIAJYNMCOFTI-NWDGAFQWSA-N 2 2 247.342 2.129 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000178309925 538952872 /nfs/dbraw/zinc/95/28/72/538952872.db2.gz WOIJDRFBXNISEC-OAHLLOKOSA-N 2 2 248.345 2.498 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(C[C@H]3CCC[N@@H+]3C)c2C[C@@H]1C ZINC000386808675 398266360 /nfs/dbraw/zinc/26/63/60/398266360.db2.gz DDDWXXUPXSWYMI-FRRDWIJNSA-N 2 2 247.386 2.348 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(C[C@H]3CCC[N@H+]3C)c2C[C@@H]1C ZINC000386808675 398266361 /nfs/dbraw/zinc/26/63/61/398266361.db2.gz DDDWXXUPXSWYMI-FRRDWIJNSA-N 2 2 247.386 2.348 20 0 BEADLP C[NH+](C)CCCC1CC[NH+](CC(F)F)CC1 ZINC000179704856 538956281 /nfs/dbraw/zinc/95/62/81/538956281.db2.gz CPCJPAABEHKUCY-UHFFFAOYSA-N 2 2 234.334 2.305 20 0 BEADLP CC(C)CCC[NH2+]CC1([NH+](C)C)CCC1 ZINC000165200938 361836962 /nfs/dbraw/zinc/83/69/62/361836962.db2.gz XRKDNMAQJVDETO-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCSCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600204193 342701424 /nfs/dbraw/zinc/70/14/24/342701424.db2.gz PIUYVHHMQXDBOZ-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600204193 342701426 /nfs/dbraw/zinc/70/14/26/342701426.db2.gz PIUYVHHMQXDBOZ-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCCOC2)c[nH+]1 ZINC000348740845 136237060 /nfs/dbraw/zinc/23/70/60/136237060.db2.gz PMMYMBOZSWCLRP-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCCOC2)c[nH+]1 ZINC000348740845 136237061 /nfs/dbraw/zinc/23/70/61/136237061.db2.gz PMMYMBOZSWCLRP-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672339 538973016 /nfs/dbraw/zinc/97/30/16/538973016.db2.gz OAPFPWOIFXFUKH-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672339 538973018 /nfs/dbraw/zinc/97/30/18/538973018.db2.gz OAPFPWOIFXFUKH-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000336479886 342807511 /nfs/dbraw/zinc/80/75/11/342807511.db2.gz UAXSQQANBZSOBY-ZWNOBZJWSA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000336479886 342807512 /nfs/dbraw/zinc/80/75/12/342807512.db2.gz UAXSQQANBZSOBY-ZWNOBZJWSA-N 2 2 233.359 2.435 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000393919070 344004051 /nfs/dbraw/zinc/00/40/51/344004051.db2.gz OZGWJRPYFZDREB-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)C1 ZINC000393919070 344004055 /nfs/dbraw/zinc/00/40/55/344004055.db2.gz OZGWJRPYFZDREB-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cc(N2CCc3c[nH+]ccc32)nc(C)[nH+]1 ZINC000189477687 538983300 /nfs/dbraw/zinc/98/33/00/538983300.db2.gz HGFAGCAUCUDKHN-UHFFFAOYSA-N 2 2 226.283 2.183 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381356165 538998939 /nfs/dbraw/zinc/99/89/39/538998939.db2.gz CIEYSUJUYKKLKM-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381356165 538998941 /nfs/dbraw/zinc/99/89/41/538998941.db2.gz CIEYSUJUYKKLKM-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)C)C1CC1 ZINC000390469232 539021918 /nfs/dbraw/zinc/02/19/18/539021918.db2.gz IQDCEZDQGRNBBW-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)C)C1CC1 ZINC000390469232 539021920 /nfs/dbraw/zinc/02/19/20/539021920.db2.gz IQDCEZDQGRNBBW-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)n1C ZINC000668013192 488185476 /nfs/dbraw/zinc/18/54/76/488185476.db2.gz RZMXBMLXFXZUPL-YPMHNXCESA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)n1C ZINC000668013192 488185483 /nfs/dbraw/zinc/18/54/83/488185483.db2.gz RZMXBMLXFXZUPL-YPMHNXCESA-N 2 2 219.332 2.103 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041042036 398317694 /nfs/dbraw/zinc/31/76/94/398317694.db2.gz KOGIOSXPMSOJST-GFCCVEGCSA-N 2 2 209.337 2.297 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000584005405 342900303 /nfs/dbraw/zinc/90/03/03/342900303.db2.gz SLSWACJTVNHIMG-WCQYABFASA-N 2 2 221.348 2.397 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410875 398329286 /nfs/dbraw/zinc/32/92/86/398329286.db2.gz CGHDCCSWLFATNJ-ZANVPECISA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410875 398329288 /nfs/dbraw/zinc/32/92/88/398329288.db2.gz CGHDCCSWLFATNJ-ZANVPECISA-N 2 2 248.374 2.296 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000380231298 346880716 /nfs/dbraw/zinc/88/07/16/346880716.db2.gz LNKMNCJFOGJABN-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000380231298 346880720 /nfs/dbraw/zinc/88/07/20/346880720.db2.gz LNKMNCJFOGJABN-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000380231300 346881021 /nfs/dbraw/zinc/88/10/21/346881021.db2.gz LNKMNCJFOGJABN-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000380231300 346881023 /nfs/dbraw/zinc/88/10/23/346881023.db2.gz LNKMNCJFOGJABN-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256240 259332281 /nfs/dbraw/zinc/33/22/81/259332281.db2.gz SOAKUBAXUDCBEG-LLVKDONJSA-N 2 2 209.337 2.131 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C/C=C/c2ccccc2)c1 ZINC000313268694 259332715 /nfs/dbraw/zinc/33/27/15/259332715.db2.gz WOAQEFUFLDZCPI-VMPITWQZSA-N 2 2 241.338 2.266 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313268685 259332913 /nfs/dbraw/zinc/33/29/13/259332913.db2.gz WLLSPBQSDLNYCE-YPMHNXCESA-N 2 2 221.348 2.131 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201688 342976773 /nfs/dbraw/zinc/97/67/73/342976773.db2.gz APNDAMVXOVUPIG-VXGBXAGGSA-N 2 2 200.370 2.351 20 0 BEADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000019942934 342963905 /nfs/dbraw/zinc/96/39/05/342963905.db2.gz GWMTVFZHXGLLHG-ZDUSSCGKSA-N 2 2 235.375 2.464 20 0 BEADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccn1 ZINC000019942937 342963954 /nfs/dbraw/zinc/96/39/54/342963954.db2.gz GWMTVFZHXGLLHG-CYBMUJFWSA-N 2 2 235.375 2.464 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(C)C ZINC000019959994 342964609 /nfs/dbraw/zinc/96/46/09/342964609.db2.gz PQJZOMSAPMTJFK-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(C)C ZINC000019959994 342964610 /nfs/dbraw/zinc/96/46/10/342964610.db2.gz PQJZOMSAPMTJFK-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000019960043 342964742 /nfs/dbraw/zinc/96/47/42/342964742.db2.gz YOAGPLXSRPVHPL-JSGCOSHPSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000019960043 342964744 /nfs/dbraw/zinc/96/47/44/342964744.db2.gz YOAGPLXSRPVHPL-JSGCOSHPSA-N 2 2 233.359 2.217 20 0 BEADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000019958330 342964859 /nfs/dbraw/zinc/96/48/59/342964859.db2.gz KRLRTVGVUXAGMY-WCQYABFASA-N 2 2 236.359 2.444 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000678083518 488193859 /nfs/dbraw/zinc/19/38/59/488193859.db2.gz KCUHIXWQXABZDX-LLVKDONJSA-N 2 2 244.329 2.202 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000678083518 488193863 /nfs/dbraw/zinc/19/38/63/488193863.db2.gz KCUHIXWQXABZDX-LLVKDONJSA-N 2 2 244.329 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000308786239 346911738 /nfs/dbraw/zinc/91/17/38/346911738.db2.gz FQCPJTFBUYOTGD-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000308786239 346911739 /nfs/dbraw/zinc/91/17/39/346911739.db2.gz FQCPJTFBUYOTGD-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCSCC[C@@H]2C)n1C ZINC000668055516 488195980 /nfs/dbraw/zinc/19/59/80/488195980.db2.gz DLDYLTHZIOYKFB-JTQLQIEISA-N 2 2 239.388 2.056 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCSCC[C@@H]2C)n1C ZINC000668055516 488195983 /nfs/dbraw/zinc/19/59/83/488195983.db2.gz DLDYLTHZIOYKFB-JTQLQIEISA-N 2 2 239.388 2.056 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(C3CC3)CCC2)n1C ZINC000576838296 365702802 /nfs/dbraw/zinc/70/28/02/365702802.db2.gz ORZPWKPFBTUSMJ-UHFFFAOYSA-N 2 2 233.359 2.398 20 0 BEADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000251043202 343124606 /nfs/dbraw/zinc/12/46/06/343124606.db2.gz CZQXXFJWHSPESL-OLZOCXBDSA-N 2 2 222.307 2.310 20 0 BEADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000251043202 343124609 /nfs/dbraw/zinc/12/46/09/343124609.db2.gz CZQXXFJWHSPESL-OLZOCXBDSA-N 2 2 222.307 2.310 20 0 BEADLP CC(C)O[C@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)C1(C)C ZINC000348281506 534933724 /nfs/dbraw/zinc/93/37/24/534933724.db2.gz AVVSNJBDOGNIIF-AGIUHOORSA-N 2 2 242.407 2.118 20 0 BEADLP COc1cccc(Cl)c1C[N@H+](C)CCC[NH3+] ZINC000162036037 343205082 /nfs/dbraw/zinc/20/50/82/343205082.db2.gz IIFKTOCBXBYOSI-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP COc1cccc(Cl)c1C[N@@H+](C)CCC[NH3+] ZINC000162036037 343205085 /nfs/dbraw/zinc/20/50/85/343205085.db2.gz IIFKTOCBXBYOSI-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1F ZINC000051017529 343242765 /nfs/dbraw/zinc/24/27/65/343242765.db2.gz RLYOUFPWMTYLQR-CABZTGNLSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1F ZINC000051017529 343242766 /nfs/dbraw/zinc/24/27/66/343242766.db2.gz RLYOUFPWMTYLQR-CABZTGNLSA-N 2 2 240.297 2.276 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000035136885 343286172 /nfs/dbraw/zinc/28/61/72/343286172.db2.gz RHDNYAOSPWXNJW-LLVKDONJSA-N 2 2 222.332 2.415 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274980 343291765 /nfs/dbraw/zinc/29/17/65/343291765.db2.gz KSOWEWLATCGWCL-CYBMUJFWSA-N 2 2 229.327 2.370 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000035275127 343291868 /nfs/dbraw/zinc/29/18/68/343291868.db2.gz SOIQDHOGCGCUTP-NSHDSACASA-N 2 2 235.356 2.431 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000035275254 343291957 /nfs/dbraw/zinc/29/19/57/343291957.db2.gz CXGZJLBVRGUEGM-SNVBAGLBSA-N 2 2 235.356 2.431 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000335607642 136298483 /nfs/dbraw/zinc/29/84/83/136298483.db2.gz BROJHOBMMUHKOC-VXGBXAGGSA-N 2 2 222.332 2.338 20 0 BEADLP COC1CC([N@H+](C)CCCc2c[nH+]ccc2C)C1 ZINC000348714081 136294571 /nfs/dbraw/zinc/29/45/71/136294571.db2.gz XVJHDFHQKXBZGQ-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP COC1CC([N@@H+](C)CCCc2c[nH+]ccc2C)C1 ZINC000348714081 136294572 /nfs/dbraw/zinc/29/45/72/136294572.db2.gz XVJHDFHQKXBZGQ-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335634921 136300639 /nfs/dbraw/zinc/30/06/39/136300639.db2.gz IDXJBQANFLBVJW-NOZJJQNGSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000335635034 136300662 /nfs/dbraw/zinc/30/06/62/136300662.db2.gz IHRFYHUKGCXUKJ-LDYMZIIASA-N 2 2 244.791 2.489 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335634937 136300763 /nfs/dbraw/zinc/30/07/63/136300763.db2.gz IDXJBQANFLBVJW-RNCFNFMXSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037158347 343337360 /nfs/dbraw/zinc/33/73/60/343337360.db2.gz ROQMYRJVESLELF-OLZOCXBDSA-N 2 2 247.342 2.476 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccn1 ZINC000037157267 343337452 /nfs/dbraw/zinc/33/74/52/343337452.db2.gz DYABQNMPXYQIRP-RYUDHWBXSA-N 2 2 230.315 2.017 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683405 343338304 /nfs/dbraw/zinc/33/83/04/343338304.db2.gz YHNCJVLBOORJGA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683405 343338305 /nfs/dbraw/zinc/33/83/05/343338305.db2.gz YHNCJVLBOORJGA-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000037213833 343339554 /nfs/dbraw/zinc/33/95/54/343339554.db2.gz BCZRSVBWTKKRAV-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000037213833 343339556 /nfs/dbraw/zinc/33/95/56/343339556.db2.gz BCZRSVBWTKKRAV-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]CC[NH+]1CCCC1 ZINC000037651109 343350245 /nfs/dbraw/zinc/35/02/45/343350245.db2.gz PJAVZMIUZSYWML-RMKNXTFCSA-N 2 2 230.355 2.385 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000335643035 136308763 /nfs/dbraw/zinc/30/87/63/136308763.db2.gz LZONQKRBEPXVSE-NSHDSACASA-N 2 2 224.373 2.288 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335642388 136309117 /nfs/dbraw/zinc/30/91/17/136309117.db2.gz JJRZZNUOGGVHFG-ZDUSSCGKSA-N 2 2 222.307 2.057 20 0 BEADLP C[C@H]1C[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335694466 136326499 /nfs/dbraw/zinc/32/64/99/136326499.db2.gz CUDBMLDBMOYGQA-CMPLNLGQSA-N 2 2 219.332 2.245 20 0 BEADLP C[C@H]1c2ccccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000335679771 136320013 /nfs/dbraw/zinc/32/00/13/136320013.db2.gz VBPJHCSKYOUTJG-LBPRGKRZSA-N 2 2 227.311 2.460 20 0 BEADLP C[C@H]1c2ccccc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000335679771 136320014 /nfs/dbraw/zinc/32/00/14/136320014.db2.gz VBPJHCSKYOUTJG-LBPRGKRZSA-N 2 2 227.311 2.460 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)noc1C ZINC000349414507 136345015 /nfs/dbraw/zinc/34/50/15/136345015.db2.gz GOICLLRCMVFHDS-UHFFFAOYSA-N 2 2 239.363 2.065 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)noc1C ZINC000349414507 136345016 /nfs/dbraw/zinc/34/50/16/136345016.db2.gz GOICLLRCMVFHDS-UHFFFAOYSA-N 2 2 239.363 2.065 20 0 BEADLP [NH3+][C@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000335720179 136345290 /nfs/dbraw/zinc/34/52/90/136345290.db2.gz RUIJAYUXGAFEIV-INIZCTEOSA-N 2 2 240.350 2.415 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000335720179 136345291 /nfs/dbraw/zinc/34/52/91/136345291.db2.gz RUIJAYUXGAFEIV-INIZCTEOSA-N 2 2 240.350 2.415 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCCC1 ZINC000130216743 136372625 /nfs/dbraw/zinc/37/26/25/136372625.db2.gz GPTOJWYZJHRPEM-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000335655648 136376130 /nfs/dbraw/zinc/37/61/30/136376130.db2.gz FYWXYNRPZZPDEO-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000335655648 136376131 /nfs/dbraw/zinc/37/61/31/136376131.db2.gz FYWXYNRPZZPDEO-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000335858691 344033733 /nfs/dbraw/zinc/03/37/33/344033733.db2.gz UUSCVQLDKUERTO-WXRRBKDZSA-N 2 2 233.359 2.366 20 0 BEADLP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000084498143 343532350 /nfs/dbraw/zinc/53/23/50/343532350.db2.gz KWIPZVMVMUPDJI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000084498143 343532352 /nfs/dbraw/zinc/53/23/52/343532352.db2.gz KWIPZVMVMUPDJI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000071029215 343590681 /nfs/dbraw/zinc/59/06/81/343590681.db2.gz YKTUDOJUNPBKTC-OAHLLOKOSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000071029215 343590683 /nfs/dbraw/zinc/59/06/83/343590683.db2.gz YKTUDOJUNPBKTC-OAHLLOKOSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1F ZINC000049553432 343602467 /nfs/dbraw/zinc/60/24/67/343602467.db2.gz HAJWCDAEDCOOKQ-LLVKDONJSA-N 2 2 224.323 2.256 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000049574916 343603328 /nfs/dbraw/zinc/60/33/28/343603328.db2.gz DZFOWRRBJIYFKQ-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCc1nc(C[NH2+][C@H](C)CC[NH+](C)C)cs1 ZINC000050165343 343610488 /nfs/dbraw/zinc/61/04/88/343610488.db2.gz BHVLIZRDLHZVLK-SNVBAGLBSA-N 2 2 241.404 2.135 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCC1 ZINC000387618385 346949068 /nfs/dbraw/zinc/94/90/68/346949068.db2.gz BCBAHOOOQAQDOW-AAEUAGOBSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000309027166 346955338 /nfs/dbraw/zinc/95/53/38/346955338.db2.gz BIRMISIIVLBSOQ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000309027166 346955339 /nfs/dbraw/zinc/95/53/39/346955339.db2.gz BIRMISIIVLBSOQ-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000039019695 343783365 /nfs/dbraw/zinc/78/33/65/343783365.db2.gz ULQUIJXXQLXMTQ-HNNXBMFYSA-N 2 2 226.323 2.373 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000039019695 343783366 /nfs/dbraw/zinc/78/33/66/343783366.db2.gz ULQUIJXXQLXMTQ-HNNXBMFYSA-N 2 2 226.323 2.373 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027546 343783973 /nfs/dbraw/zinc/78/39/73/343783973.db2.gz IUDURTOCBMBTSC-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027546 343783974 /nfs/dbraw/zinc/78/39/74/343783974.db2.gz IUDURTOCBMBTSC-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000336675248 537821830 /nfs/dbraw/zinc/82/18/30/537821830.db2.gz PJGCEAWSSXDQGY-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336699668 537826712 /nfs/dbraw/zinc/82/67/12/537826712.db2.gz ZVWVJTZOYXHJIK-KWCYVHTRSA-N 2 2 220.360 2.001 20 0 BEADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336699668 537826719 /nfs/dbraw/zinc/82/67/19/537826719.db2.gz ZVWVJTZOYXHJIK-KWCYVHTRSA-N 2 2 220.360 2.001 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000336713189 537829080 /nfs/dbraw/zinc/82/90/80/537829080.db2.gz VKIGTVBIPJZEOB-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000336713189 537829090 /nfs/dbraw/zinc/82/90/90/537829090.db2.gz VKIGTVBIPJZEOB-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784544 343907677 /nfs/dbraw/zinc/90/76/77/343907677.db2.gz QLJQPEIFCDXBNM-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000621784544 343907679 /nfs/dbraw/zinc/90/76/79/343907679.db2.gz QLJQPEIFCDXBNM-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP CC(C)OC[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000558613033 343975455 /nfs/dbraw/zinc/97/54/55/343975455.db2.gz NPVHVUHZLVWFEE-ZDUSSCGKSA-N 2 2 239.363 2.066 20 0 BEADLP CCc1cc(N[C@@H](C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000396471505 347025362 /nfs/dbraw/zinc/02/53/62/347025362.db2.gz TZIMPEICVCJSSH-NSHDSACASA-N 2 2 248.374 2.181 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348111090 537839597 /nfs/dbraw/zinc/83/95/97/537839597.db2.gz VIMHDAXPIYHQMK-VHDGCEQUSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348111090 537839607 /nfs/dbraw/zinc/83/96/07/537839607.db2.gz VIMHDAXPIYHQMK-VHDGCEQUSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336748713 537840167 /nfs/dbraw/zinc/84/01/67/537840167.db2.gz DOJZZCHRIYYPAE-QWHCGFSZSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336748713 537840171 /nfs/dbraw/zinc/84/01/71/537840171.db2.gz DOJZZCHRIYYPAE-QWHCGFSZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000130183335 344218310 /nfs/dbraw/zinc/21/83/10/344218310.db2.gz WECGYBOYYIJPFE-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000130263768 344219480 /nfs/dbraw/zinc/21/94/80/344219480.db2.gz NIMFXNOIGWOSKP-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000622003955 344181291 /nfs/dbraw/zinc/18/12/91/344181291.db2.gz IFRAKZPNSQJQAG-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000622003955 344181292 /nfs/dbraw/zinc/18/12/92/344181292.db2.gz IFRAKZPNSQJQAG-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348300215 537843948 /nfs/dbraw/zinc/84/39/48/537843948.db2.gz GDMWKVQYYCKOHW-LSDHHAIUSA-N 2 2 234.387 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348300215 537843939 /nfs/dbraw/zinc/84/39/39/537843939.db2.gz GDMWKVQYYCKOHW-LSDHHAIUSA-N 2 2 234.387 2.417 20 0 BEADLP [NH3+]CC[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000634809722 344394188 /nfs/dbraw/zinc/39/41/88/344394188.db2.gz YVJOZAKNPBWBQI-LBPRGKRZSA-N 2 2 246.358 2.062 20 0 BEADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000041041881 344413916 /nfs/dbraw/zinc/41/39/16/344413916.db2.gz CPCJEVYIGUQTJU-UHFFFAOYSA-N 2 2 221.329 2.043 20 0 BEADLP Cc1ccsc1C[NH2+]CCn1cc[nH+]c1 ZINC000041041872 344413924 /nfs/dbraw/zinc/41/39/24/344413924.db2.gz FPZSNFTZLRNROB-UHFFFAOYSA-N 2 2 221.329 2.043 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041042037 344413989 /nfs/dbraw/zinc/41/39/89/344413989.db2.gz KOGIOSXPMSOJST-LBPRGKRZSA-N 2 2 209.337 2.297 20 0 BEADLP CCCC(CCC)[NH2+]CCn1cc[nH+]c1 ZINC000041050910 344416385 /nfs/dbraw/zinc/41/63/85/344416385.db2.gz AMFDBAHMPVPHJD-UHFFFAOYSA-N 2 2 209.337 2.442 20 0 BEADLP CCCCOCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119620074 344474157 /nfs/dbraw/zinc/47/41/57/344474157.db2.gz RJUNEFVGEDMEBM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCCCOCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000119620074 344474158 /nfs/dbraw/zinc/47/41/58/344474158.db2.gz RJUNEFVGEDMEBM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000043513530 344524587 /nfs/dbraw/zinc/52/45/87/344524587.db2.gz YKSCUZYKQLVQOM-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000043513530 344524589 /nfs/dbraw/zinc/52/45/89/344524589.db2.gz YKSCUZYKQLVQOM-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000110976517 344574635 /nfs/dbraw/zinc/57/46/35/344574635.db2.gz PLCFUHUOQWGIGL-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1F ZINC000110976517 344574638 /nfs/dbraw/zinc/57/46/38/344574638.db2.gz PLCFUHUOQWGIGL-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045089776 344558050 /nfs/dbraw/zinc/55/80/50/344558050.db2.gz KDWRZFNFVFKUDU-GFCCVEGCSA-N 2 2 210.365 2.378 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045089776 344558051 /nfs/dbraw/zinc/55/80/51/344558051.db2.gz KDWRZFNFVFKUDU-GFCCVEGCSA-N 2 2 210.365 2.378 20 0 BEADLP CCc1[nH+]c(C)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000395830733 344564500 /nfs/dbraw/zinc/56/45/00/344564500.db2.gz UWWGAUDOINEZIR-GFCCVEGCSA-N 2 2 234.343 2.331 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000336769242 537849470 /nfs/dbraw/zinc/84/94/70/537849470.db2.gz VMMIBVITZBHPMJ-AVGNSLFASA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000336769242 537849481 /nfs/dbraw/zinc/84/94/81/537849481.db2.gz VMMIBVITZBHPMJ-AVGNSLFASA-N 2 2 210.365 2.105 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CCCS2)n1C ZINC000574099106 344655967 /nfs/dbraw/zinc/65/59/67/344655967.db2.gz GZQJFCRLQGNYGC-LBPRGKRZSA-N 2 2 239.388 2.104 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304597878 344953531 /nfs/dbraw/zinc/95/35/31/344953531.db2.gz QDGFRCIEMGHVEV-YVECIDJPSA-N 2 2 219.332 2.050 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000153760005 344966790 /nfs/dbraw/zinc/96/67/90/344966790.db2.gz JISFTEYLKKAQDW-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000153760005 344966792 /nfs/dbraw/zinc/96/67/92/344966792.db2.gz JISFTEYLKKAQDW-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000153760005 344966795 /nfs/dbraw/zinc/96/67/95/344966795.db2.gz JISFTEYLKKAQDW-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000153760005 344966797 /nfs/dbraw/zinc/96/67/97/344966797.db2.gz JISFTEYLKKAQDW-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628199932 344968086 /nfs/dbraw/zinc/96/80/86/344968086.db2.gz PJCLXTOEBCOUFQ-UHFFFAOYSA-N 2 2 249.358 2.126 20 0 BEADLP Oc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353276 345032628 /nfs/dbraw/zinc/03/26/28/345032628.db2.gz JMEHOVIKZNIZNG-UHFFFAOYSA-N 2 2 245.326 2.159 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cn2)C1 ZINC000154530477 345041163 /nfs/dbraw/zinc/04/11/63/345041163.db2.gz CSYRGSLZZCOBNX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)cn2)C1 ZINC000154530477 345041164 /nfs/dbraw/zinc/04/11/64/345041164.db2.gz CSYRGSLZZCOBNX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)cn2)C1 ZINC000154530477 345041165 /nfs/dbraw/zinc/04/11/65/345041165.db2.gz CSYRGSLZZCOBNX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000154530477 345041166 /nfs/dbraw/zinc/04/11/66/345041166.db2.gz CSYRGSLZZCOBNX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156454391 345160846 /nfs/dbraw/zinc/16/08/46/345160846.db2.gz NUKVLELIUDTMDW-STQMWFEESA-N 2 2 221.348 2.422 20 0 BEADLP CC(C)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156454391 345160849 /nfs/dbraw/zinc/16/08/49/345160849.db2.gz NUKVLELIUDTMDW-STQMWFEESA-N 2 2 221.348 2.422 20 0 BEADLP FC(F)(F)[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991777 345178216 /nfs/dbraw/zinc/17/82/16/345178216.db2.gz RGJRDGORZDNXHJ-YVNMAJEFSA-N 2 2 248.292 2.013 20 0 BEADLP FC(F)(F)[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991777 345178218 /nfs/dbraw/zinc/17/82/18/345178218.db2.gz RGJRDGORZDNXHJ-YVNMAJEFSA-N 2 2 248.292 2.013 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1)CC12CC(C1)C[NH2+]2 ZINC000634991648 345178384 /nfs/dbraw/zinc/17/83/84/345178384.db2.gz MYOGKHIQKIFWRK-UHFFFAOYSA-N 2 2 234.318 2.010 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1)CC12CC(C1)C[NH2+]2 ZINC000634991648 345178387 /nfs/dbraw/zinc/17/83/87/345178387.db2.gz MYOGKHIQKIFWRK-UHFFFAOYSA-N 2 2 234.318 2.010 20 0 BEADLP C[C@@H](c1cccs1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991829 345179352 /nfs/dbraw/zinc/17/93/52/345179352.db2.gz SMTGTLQFNFMAMG-ZBOXLXRLSA-N 2 2 236.384 2.493 20 0 BEADLP C[C@@H](c1cccs1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991829 345179353 /nfs/dbraw/zinc/17/93/53/345179353.db2.gz SMTGTLQFNFMAMG-ZBOXLXRLSA-N 2 2 236.384 2.493 20 0 BEADLP CC[N@H+](CC12CC(C1)C[NH2+]2)[C@@H](C)C(C)C ZINC000634992070 345179639 /nfs/dbraw/zinc/17/96/39/345179639.db2.gz BXWZENLRFMVSAY-HIFPTAJRSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC12CC(C1)C[NH2+]2)[C@@H](C)C(C)C ZINC000634992070 345179644 /nfs/dbraw/zinc/17/96/44/345179644.db2.gz BXWZENLRFMVSAY-HIFPTAJRSA-N 2 2 210.365 2.105 20 0 BEADLP c1cc2c(s1)CCC[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634992195 345180027 /nfs/dbraw/zinc/18/00/27/345180027.db2.gz HSXQXAULQISALA-UHFFFAOYSA-N 2 2 248.395 2.248 20 0 BEADLP c1cc2c(s1)CCC[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000634992195 345180029 /nfs/dbraw/zinc/18/00/29/345180029.db2.gz HSXQXAULQISALA-UHFFFAOYSA-N 2 2 248.395 2.248 20 0 BEADLP CC[N@H+](CCC(F)(F)F)CC12CC(C1)C[NH2+]2 ZINC000634992335 345180297 /nfs/dbraw/zinc/18/02/97/345180297.db2.gz LXABCOBHSVUELA-UHFFFAOYSA-N 2 2 236.281 2.013 20 0 BEADLP CC[N@@H+](CCC(F)(F)F)CC12CC(C1)C[NH2+]2 ZINC000634992335 345180301 /nfs/dbraw/zinc/18/03/01/345180301.db2.gz LXABCOBHSVUELA-UHFFFAOYSA-N 2 2 236.281 2.013 20 0 BEADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994614 345181625 /nfs/dbraw/zinc/18/16/25/345181625.db2.gz IYFXJRZXLQVYES-LYGKVCMISA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994614 345181629 /nfs/dbraw/zinc/18/16/29/345181629.db2.gz IYFXJRZXLQVYES-LYGKVCMISA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994612 345182015 /nfs/dbraw/zinc/18/20/15/345182015.db2.gz IYFXJRZXLQVYES-BFKVFCTQSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994612 345182018 /nfs/dbraw/zinc/18/20/18/345182018.db2.gz IYFXJRZXLQVYES-BFKVFCTQSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C[C@@H](C)C1 ZINC000634993578 345190759 /nfs/dbraw/zinc/19/07/59/345190759.db2.gz YOOQFVKJAXRWSI-KBHBFKLGSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C[C@@H](C)C1 ZINC000634993578 345190762 /nfs/dbraw/zinc/19/07/62/345190762.db2.gz YOOQFVKJAXRWSI-KBHBFKLGSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634996878 345185165 /nfs/dbraw/zinc/18/51/65/345185165.db2.gz XQVVAGKDOWXMGU-UHFFFAOYSA-N 2 2 242.366 2.105 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634996878 345185167 /nfs/dbraw/zinc/18/51/67/345185167.db2.gz XQVVAGKDOWXMGU-UHFFFAOYSA-N 2 2 242.366 2.105 20 0 BEADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1c(C)noc1C ZINC000634995436 345185348 /nfs/dbraw/zinc/18/53/48/345185348.db2.gz DUXHUPQXNIBOLS-MBHSVXNSSA-N 2 2 249.358 2.084 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996515 345188117 /nfs/dbraw/zinc/18/81/17/345188117.db2.gz MFFLNSATVWZEIZ-XGTXGMFGSA-N 2 2 228.339 2.016 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992896 345188356 /nfs/dbraw/zinc/18/83/56/345188356.db2.gz FJNCTIAMIQHXCL-IWMBGFJWSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992896 345188358 /nfs/dbraw/zinc/18/83/58/345188358.db2.gz FJNCTIAMIQHXCL-IWMBGFJWSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993013 345188958 /nfs/dbraw/zinc/18/89/58/345188958.db2.gz ITNGEACQNONSAJ-FUJMWEONSA-N 2 2 242.366 2.185 20 0 BEADLP C[C@H]1Cc2ccccc2C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993013 345188961 /nfs/dbraw/zinc/18/89/61/345188961.db2.gz ITNGEACQNONSAJ-FUJMWEONSA-N 2 2 242.366 2.185 20 0 BEADLP C/C=C/C[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997045 345193839 /nfs/dbraw/zinc/19/38/39/345193839.db2.gz BOHQHWUXFLHQOD-OESAVHMQSA-N 2 2 234.387 2.417 20 0 BEADLP C/C=C/C[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634997045 345193841 /nfs/dbraw/zinc/19/38/41/345193841.db2.gz BOHQHWUXFLHQOD-OESAVHMQSA-N 2 2 234.387 2.417 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000449065374 201802875 /nfs/dbraw/zinc/80/28/75/201802875.db2.gz UBGKVAAKRCBSKJ-LLVKDONJSA-N 2 2 224.348 2.140 20 0 BEADLP C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000635011747 345213395 /nfs/dbraw/zinc/21/33/95/345213395.db2.gz GORJWXSRKPAUMN-ZANVPECISA-N 2 2 240.297 2.034 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000635013829 345218179 /nfs/dbraw/zinc/21/81/79/345218179.db2.gz WLVDVHDCZPFMPB-QCLAVDOMSA-N 2 2 236.281 2.057 20 0 BEADLP CC[NH+](CC)CCCNc1[nH+]cccc1OC ZINC000127747624 345219705 /nfs/dbraw/zinc/21/97/05/345219705.db2.gz BGIIOSAVGPMUMQ-UHFFFAOYSA-N 2 2 237.347 2.234 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000635019588 345222950 /nfs/dbraw/zinc/22/29/50/345222950.db2.gz ISGNHRGCXCJCHB-OLZOCXBDSA-N 2 2 242.407 2.169 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@H](C)C[NH3+])c(C)c1 ZINC000158521060 345343847 /nfs/dbraw/zinc/34/38/47/345343847.db2.gz JHBFLACMVBSWIS-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@H](C)C[NH3+])c(C)c1 ZINC000158521060 345343850 /nfs/dbraw/zinc/34/38/50/345343850.db2.gz JHBFLACMVBSWIS-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(CC2)CC1 ZINC000626115322 345330134 /nfs/dbraw/zinc/33/01/34/345330134.db2.gz OODGUPWELQGWDI-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(CC2)CC1 ZINC000626115322 345330136 /nfs/dbraw/zinc/33/01/36/345330136.db2.gz OODGUPWELQGWDI-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP C[C@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000158455390 345335236 /nfs/dbraw/zinc/33/52/36/345335236.db2.gz JOONQVGJBPSPPZ-WDEREUQCSA-N 2 2 244.342 2.458 20 0 BEADLP C[C@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000158455390 345335239 /nfs/dbraw/zinc/33/52/39/345335239.db2.gz JOONQVGJBPSPPZ-WDEREUQCSA-N 2 2 244.342 2.458 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000135597172 345445921 /nfs/dbraw/zinc/44/59/21/345445921.db2.gz KEYDGULHBRNXJH-LLVKDONJSA-N 2 2 231.343 2.208 20 0 BEADLP [NH3+]C[C@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC000394647717 323089184 /nfs/dbraw/zinc/08/91/84/323089184.db2.gz XRBXSAQDKVAZGU-AWEZNQCLSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC000394647717 323089185 /nfs/dbraw/zinc/08/91/85/323089185.db2.gz XRBXSAQDKVAZGU-AWEZNQCLSA-N 2 2 240.391 2.006 20 0 BEADLP Cc1cc(NC(C)(C)c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000641663245 362586297 /nfs/dbraw/zinc/58/62/97/362586297.db2.gz SABJIXPTQQQNSX-UHFFFAOYSA-N 2 2 231.303 2.164 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080984805 345457910 /nfs/dbraw/zinc/45/79/10/345457910.db2.gz OMFCLWUPCPSEEO-LLVKDONJSA-N 2 2 207.321 2.245 20 0 BEADLP CC(C)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080984805 345457911 /nfs/dbraw/zinc/45/79/11/345457911.db2.gz OMFCLWUPCPSEEO-LLVKDONJSA-N 2 2 207.321 2.245 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984800 345458333 /nfs/dbraw/zinc/45/83/33/345458333.db2.gz OMFCLWUPCPSEEO-NSHDSACASA-N 2 2 207.321 2.245 20 0 BEADLP CC(C)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984800 345458335 /nfs/dbraw/zinc/45/83/35/345458335.db2.gz OMFCLWUPCPSEEO-NSHDSACASA-N 2 2 207.321 2.245 20 0 BEADLP CSCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070185444 345458346 /nfs/dbraw/zinc/45/83/46/345458346.db2.gz PSKJPCPHUBKAQF-UHFFFAOYSA-N 2 2 247.367 2.325 20 0 BEADLP COCC1(C[NH2+]CCc2cc[nH+]cc2C)CCC1 ZINC000397519078 345555234 /nfs/dbraw/zinc/55/52/34/345555234.db2.gz CZUROXAXLKWUCL-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000090846783 345576569 /nfs/dbraw/zinc/57/65/69/345576569.db2.gz ZRZFHOKDGVVUIL-GFCCVEGCSA-N 2 2 244.342 2.017 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cncs3)C2)[nH]1 ZINC000092071728 345615585 /nfs/dbraw/zinc/61/55/85/345615585.db2.gz GHOOESURNYMXJM-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cncs3)C2)[nH]1 ZINC000092071728 345615587 /nfs/dbraw/zinc/61/55/87/345615587.db2.gz GHOOESURNYMXJM-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000091308026 345591117 /nfs/dbraw/zinc/59/11/17/345591117.db2.gz BHJQVRWQPUIBOR-HUUCEWRRSA-N 2 2 247.386 2.463 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccnc1 ZINC000091308026 345591118 /nfs/dbraw/zinc/59/11/18/345591118.db2.gz BHJQVRWQPUIBOR-HUUCEWRRSA-N 2 2 247.386 2.463 20 0 BEADLP CCCC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000149042123 345715687 /nfs/dbraw/zinc/71/56/87/345715687.db2.gz QOJBVSXGQVYQCH-KBPBESRZSA-N 2 2 218.344 2.213 20 0 BEADLP CCCC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000149042123 345715689 /nfs/dbraw/zinc/71/56/89/345715689.db2.gz QOJBVSXGQVYQCH-KBPBESRZSA-N 2 2 218.344 2.213 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000381436297 345890862 /nfs/dbraw/zinc/89/08/62/345890862.db2.gz CSHTUIZTHDCYNN-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 ZINC000381436297 345890865 /nfs/dbraw/zinc/89/08/65/345890865.db2.gz CSHTUIZTHDCYNN-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130227146 535013604 /nfs/dbraw/zinc/01/36/04/535013604.db2.gz RLXUYAHRLHHHNQ-RYUDHWBXSA-N 2 2 200.370 2.495 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@@H+]1C ZINC000628223411 345964319 /nfs/dbraw/zinc/96/43/19/345964319.db2.gz CYPPSQQJZIHXGW-JQWIXIFHSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223411 345964320 /nfs/dbraw/zinc/96/43/20/345964320.db2.gz CYPPSQQJZIHXGW-JQWIXIFHSA-N 2 2 249.358 2.124 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684379061 488299970 /nfs/dbraw/zinc/29/99/70/488299970.db2.gz OTLAMQHJMXNMPC-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684379061 488299972 /nfs/dbraw/zinc/29/99/72/488299972.db2.gz OTLAMQHJMXNMPC-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000151070520 537941578 /nfs/dbraw/zinc/94/15/78/537941578.db2.gz HAIOLGUUXSNHPD-BXUZGUMPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000151070520 537941585 /nfs/dbraw/zinc/94/15/85/537941585.db2.gz HAIOLGUUXSNHPD-BXUZGUMPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000397533629 346200340 /nfs/dbraw/zinc/20/03/40/346200340.db2.gz MLPUHIVJDDLKLM-GXTWGEPZSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628233532 346192487 /nfs/dbraw/zinc/19/24/87/346192487.db2.gz IIQDENRJFHLRGQ-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000628233532 346192489 /nfs/dbraw/zinc/19/24/89/346192489.db2.gz IIQDENRJFHLRGQ-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H](C)CC1)[NH+](C)C ZINC000641758399 362688796 /nfs/dbraw/zinc/68/87/96/362688796.db2.gz OOEPYYYEHULEDG-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261557936 535040868 /nfs/dbraw/zinc/04/08/68/535040868.db2.gz CWHCSLMHHZBJIP-DOMZBBRYSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261557936 535040870 /nfs/dbraw/zinc/04/08/70/535040870.db2.gz CWHCSLMHHZBJIP-DOMZBBRYSA-N 2 2 248.370 2.395 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1C ZINC000070893161 179070265 /nfs/dbraw/zinc/07/02/65/179070265.db2.gz GOMZJSHDWSBZIK-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1C ZINC000070893161 179070268 /nfs/dbraw/zinc/07/02/68/179070268.db2.gz GOMZJSHDWSBZIK-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[N@@H+](C)CCc2c[nH+]cn2C)c1 ZINC000297632793 179066620 /nfs/dbraw/zinc/06/66/20/179066620.db2.gz HXDXPISKCKZVRJ-UHFFFAOYSA-N 2 2 243.354 2.403 20 0 BEADLP Cc1cccc(C[N@H+](C)CCc2c[nH+]cn2C)c1 ZINC000297632793 179066622 /nfs/dbraw/zinc/06/66/22/179066622.db2.gz HXDXPISKCKZVRJ-UHFFFAOYSA-N 2 2 243.354 2.403 20 0 BEADLP Cc1[nH+]ccn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643209 346429237 /nfs/dbraw/zinc/42/92/37/346429237.db2.gz WABOYIWSKDURNQ-UHFFFAOYSA-N 2 2 238.294 2.426 20 0 BEADLP CCC(F)(F)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000641798189 362743168 /nfs/dbraw/zinc/74/31/68/362743168.db2.gz ILOKJTKXFQDECF-GFCCVEGCSA-N 2 2 246.345 2.496 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2cscn2)CC1 ZINC000161143755 346476980 /nfs/dbraw/zinc/47/69/80/346476980.db2.gz JPEYNCSNDXFWFH-SNVBAGLBSA-N 2 2 239.388 2.278 20 0 BEADLP Cc1ccncc1C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805605 362763299 /nfs/dbraw/zinc/76/32/99/362763299.db2.gz OMUGWDPZZWLKRP-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccncc1C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805605 362763303 /nfs/dbraw/zinc/76/33/03/362763303.db2.gz OMUGWDPZZWLKRP-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccncc2)[C@@H]1C ZINC000641810740 362767055 /nfs/dbraw/zinc/76/70/55/362767055.db2.gz ZAHWLUAZKLMHBU-BZPMIXESSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccncc2)[C@@H]1C ZINC000641810740 362767060 /nfs/dbraw/zinc/76/70/60/362767060.db2.gz ZAHWLUAZKLMHBU-BZPMIXESSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccncc2)[C@H]1C ZINC000641810742 362767469 /nfs/dbraw/zinc/76/74/69/362767469.db2.gz ZAHWLUAZKLMHBU-MBNYWOFBSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccncc2)[C@H]1C ZINC000641810742 362767475 /nfs/dbraw/zinc/76/74/75/362767475.db2.gz ZAHWLUAZKLMHBU-MBNYWOFBSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000580108486 346533810 /nfs/dbraw/zinc/53/38/10/346533810.db2.gz NLETYBDNQISGIN-NGFQHRJXSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000580108486 346533812 /nfs/dbraw/zinc/53/38/12/346533812.db2.gz NLETYBDNQISGIN-NGFQHRJXSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H](C[N@H+](C)CC[NH2+]C)c1ccccc1 ZINC000162925250 346542843 /nfs/dbraw/zinc/54/28/43/346542843.db2.gz AZRPJXALXOTARP-CYBMUJFWSA-N 2 2 220.360 2.331 20 0 BEADLP CC[C@H](C[N@@H+](C)CC[NH2+]C)c1ccccc1 ZINC000162925250 346542847 /nfs/dbraw/zinc/54/28/47/346542847.db2.gz AZRPJXALXOTARP-CYBMUJFWSA-N 2 2 220.360 2.331 20 0 BEADLP CC[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000199672357 346553415 /nfs/dbraw/zinc/55/34/15/346553415.db2.gz JGXAKFNWMNFXPZ-KBPBESRZSA-N 2 2 218.344 2.307 20 0 BEADLP CC[C@](C)([NH2+]CC1CC[NH2+]CC1)C(F)(F)F ZINC000580154940 346571090 /nfs/dbraw/zinc/57/10/90/346571090.db2.gz AQJQOIQREIGHTG-JTQLQIEISA-N 2 2 238.297 2.307 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000580153517 346567137 /nfs/dbraw/zinc/56/71/37/346567137.db2.gz QOTUHKJXHULFGK-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000580153517 346567141 /nfs/dbraw/zinc/56/71/41/346567141.db2.gz QOTUHKJXHULFGK-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000177736917 346646426 /nfs/dbraw/zinc/64/64/26/346646426.db2.gz WZZGXTQZEODNPH-AWEZNQCLSA-N 2 2 242.407 2.267 20 0 BEADLP Cc1cccc(NCC2([NH+](C)C)CCC2)[nH+]1 ZINC000165252925 179144230 /nfs/dbraw/zinc/14/42/30/179144230.db2.gz LNEVDLUOZQQAMM-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1cccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC000049568893 179157982 /nfs/dbraw/zinc/15/79/82/179157982.db2.gz RPSCQNAUTYKKKW-QWHCGFSZSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1cccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC000049568893 179157983 /nfs/dbraw/zinc/15/79/83/179157983.db2.gz RPSCQNAUTYKKKW-QWHCGFSZSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004667 370655966 /nfs/dbraw/zinc/65/59/66/370655966.db2.gz SHDLVZOGITZRBL-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004667 370655969 /nfs/dbraw/zinc/65/59/69/370655969.db2.gz SHDLVZOGITZRBL-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004668 370656243 /nfs/dbraw/zinc/65/62/43/370656243.db2.gz SHDLVZOGITZRBL-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004668 370656247 /nfs/dbraw/zinc/65/62/47/370656247.db2.gz SHDLVZOGITZRBL-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccsc1)C2 ZINC000622005675 370656863 /nfs/dbraw/zinc/65/68/63/370656863.db2.gz JKQTXZDTPHXOPA-VXGBXAGGSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000622005675 370656864 /nfs/dbraw/zinc/65/68/64/370656864.db2.gz JKQTXZDTPHXOPA-VXGBXAGGSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000622005848 370656994 /nfs/dbraw/zinc/65/69/94/370656994.db2.gz NWJAYPSAFXZAAV-CMPLNLGQSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000622005848 370656997 /nfs/dbraw/zinc/65/69/97/370656997.db2.gz NWJAYPSAFXZAAV-CMPLNLGQSA-N 2 2 222.357 2.061 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042545812 179183009 /nfs/dbraw/zinc/18/30/09/179183009.db2.gz RCKBNSQSWSVBMR-OCCSQVGLSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042545812 179183012 /nfs/dbraw/zinc/18/30/12/179183012.db2.gz RCKBNSQSWSVBMR-OCCSQVGLSA-N 2 2 218.344 2.350 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000309983546 347211807 /nfs/dbraw/zinc/21/18/07/347211807.db2.gz PTNBTTVVLJXXJZ-CQSZACIVSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000309983546 347211810 /nfs/dbraw/zinc/21/18/10/347211810.db2.gz PTNBTTVVLJXXJZ-CQSZACIVSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000310041306 347223448 /nfs/dbraw/zinc/22/34/48/347223448.db2.gz YMFXFPJUGDICHE-GHMZBOCLSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000310041306 347223451 /nfs/dbraw/zinc/22/34/51/347223451.db2.gz YMFXFPJUGDICHE-GHMZBOCLSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000354318665 187373870 /nfs/dbraw/zinc/37/38/70/187373870.db2.gz MPOUCWKFWRKYMV-CABCVRRESA-N 2 2 248.370 2.216 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000251184187 179194863 /nfs/dbraw/zinc/19/48/63/179194863.db2.gz JLHOQWPJKVWTPB-WCQYABFASA-N 2 2 204.317 2.089 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000251184187 179194865 /nfs/dbraw/zinc/19/48/65/179194865.db2.gz JLHOQWPJKVWTPB-WCQYABFASA-N 2 2 204.317 2.089 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)c2nccn21 ZINC000333334476 537989574 /nfs/dbraw/zinc/98/95/74/537989574.db2.gz WVOGFRFRMLYAQW-NEPJUHHUSA-N 2 2 248.374 2.140 20 0 BEADLP Cc1ccccc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000151140462 179270839 /nfs/dbraw/zinc/27/08/39/179270839.db2.gz OMAJKBUILKHXBF-UHFFFAOYSA-N 2 2 229.327 2.324 20 0 BEADLP Cc1ccccc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000151140462 179270842 /nfs/dbraw/zinc/27/08/42/179270842.db2.gz OMAJKBUILKHXBF-UHFFFAOYSA-N 2 2 229.327 2.324 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)CC)[C@@H]1CC1(C)C ZINC000397658466 323152609 /nfs/dbraw/zinc/15/26/09/323152609.db2.gz CEGSBHZNXBJRIE-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)CC)[C@@H]1CC1(C)C ZINC000397658466 323152610 /nfs/dbraw/zinc/15/26/10/323152610.db2.gz CEGSBHZNXBJRIE-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040671703 179283976 /nfs/dbraw/zinc/28/39/76/179283976.db2.gz GRYAJCZMWRUOGO-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040671703 179283980 /nfs/dbraw/zinc/28/39/80/179283980.db2.gz GRYAJCZMWRUOGO-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000287187290 179289122 /nfs/dbraw/zinc/28/91/22/179289122.db2.gz VPEHBZMMTWMTHU-KGLIPLIRSA-N 2 2 234.387 2.466 20 0 BEADLP CCSCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594611920 348082402 /nfs/dbraw/zinc/08/24/02/348082402.db2.gz PGXTYLZATNFFGA-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594611920 348082405 /nfs/dbraw/zinc/08/24/05/348082405.db2.gz PGXTYLZATNFFGA-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@@H](CSC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594933668 348140834 /nfs/dbraw/zinc/14/08/34/348140834.db2.gz AMJDPUMAWHGSMC-JTQLQIEISA-N 2 2 239.388 2.061 20 0 BEADLP CCSC1(C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000594992792 348167221 /nfs/dbraw/zinc/16/72/21/348167221.db2.gz XOYXSXSEVPEWKX-UHFFFAOYSA-N 2 2 239.388 2.104 20 0 BEADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H](C)[C@H]1C ZINC000419382552 192133647 /nfs/dbraw/zinc/13/36/47/192133647.db2.gz ZHUQHZFBHQQYCX-AGIUHOORSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)[C@H]1C ZINC000419382552 192133649 /nfs/dbraw/zinc/13/36/49/192133649.db2.gz ZHUQHZFBHQQYCX-AGIUHOORSA-N 2 2 221.348 2.250 20 0 BEADLP CSCC[C@@H](C)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000597015336 348651308 /nfs/dbraw/zinc/65/13/08/348651308.db2.gz VEHLPHDMLVJFPS-SNVBAGLBSA-N 2 2 241.404 2.302 20 0 BEADLP CSCC[C@@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000597015336 348651311 /nfs/dbraw/zinc/65/13/11/348651311.db2.gz VEHLPHDMLVJFPS-SNVBAGLBSA-N 2 2 241.404 2.302 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597172581 348669017 /nfs/dbraw/zinc/66/90/17/348669017.db2.gz GXDCSSLCHAPTAW-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597172581 348669018 /nfs/dbraw/zinc/66/90/18/348669018.db2.gz GXDCSSLCHAPTAW-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000597213646 348680796 /nfs/dbraw/zinc/68/07/96/348680796.db2.gz MFCJVMKMWRVKHE-ZDUSSCGKSA-N 2 2 244.448 2.450 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597180950 348681514 /nfs/dbraw/zinc/68/15/14/348681514.db2.gz XPAMMDCGXFPOHB-SDDRHHMPSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597180950 348681519 /nfs/dbraw/zinc/68/15/19/348681519.db2.gz XPAMMDCGXFPOHB-SDDRHHMPSA-N 2 2 242.432 2.343 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000399127256 323197582 /nfs/dbraw/zinc/19/75/82/323197582.db2.gz RFTZOYMKXXNCDR-YNEHKIRRSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000399127256 323197583 /nfs/dbraw/zinc/19/75/83/323197583.db2.gz RFTZOYMKXXNCDR-YNEHKIRRSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000082857576 348851271 /nfs/dbraw/zinc/85/12/71/348851271.db2.gz WYGKEEZNOASXOF-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000082857574 348851420 /nfs/dbraw/zinc/85/14/20/348851420.db2.gz WYGKEEZNOASXOF-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000082862729 348855769 /nfs/dbraw/zinc/85/57/69/348855769.db2.gz POPSZLQEKQDSCZ-NXEZZACHSA-N 2 2 238.297 2.259 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CCCCC1 ZINC000421824167 192386980 /nfs/dbraw/zinc/38/69/80/192386980.db2.gz HJEMPFOCBCIBHF-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)C[C@@H](C)O1 ZINC000248998591 349158562 /nfs/dbraw/zinc/15/85/62/349158562.db2.gz IDNHAPYGDULZHW-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@@H](C)O1 ZINC000248998591 349158566 /nfs/dbraw/zinc/15/85/66/349158566.db2.gz IDNHAPYGDULZHW-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)C[C@@H](C)O1 ZINC000248998589 349158727 /nfs/dbraw/zinc/15/87/27/349158727.db2.gz IDNHAPYGDULZHW-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@@H](C)O1 ZINC000248998589 349158728 /nfs/dbraw/zinc/15/87/28/349158728.db2.gz IDNHAPYGDULZHW-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP c1cncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000249923282 349165317 /nfs/dbraw/zinc/16/53/17/349165317.db2.gz XGHLDMQTFVTXPY-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000249923282 349165319 /nfs/dbraw/zinc/16/53/19/349165319.db2.gz XGHLDMQTFVTXPY-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cn1 ZINC000161309109 349419668 /nfs/dbraw/zinc/41/96/68/349419668.db2.gz VLNBKIAHHCVRFS-GFCCVEGCSA-N 2 2 239.338 2.213 20 0 BEADLP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cn1 ZINC000161309028 349419959 /nfs/dbraw/zinc/41/99/59/349419959.db2.gz VLNBKIAHHCVRFS-LBPRGKRZSA-N 2 2 239.338 2.213 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631858399 490303296 /nfs/dbraw/zinc/30/32/96/490303296.db2.gz YESZEWQYWWEUBY-JQWIXIFHSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000631858399 490303301 /nfs/dbraw/zinc/30/33/01/490303301.db2.gz YESZEWQYWWEUBY-JQWIXIFHSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631858401 490303307 /nfs/dbraw/zinc/30/33/07/490303307.db2.gz YESZEWQYWWEUBY-ZYHUDNBSSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000631858401 490303310 /nfs/dbraw/zinc/30/33/10/490303310.db2.gz YESZEWQYWWEUBY-ZYHUDNBSSA-N 2 2 236.384 2.330 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCC(C2CC2)CC1 ZINC000366395581 180250965 /nfs/dbraw/zinc/25/09/65/180250965.db2.gz GYHYYDQGQIMDPI-UHFFFAOYSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C(C)C ZINC000346276552 180251364 /nfs/dbraw/zinc/25/13/64/180251364.db2.gz LEZQZTHCTYRSDF-CYBMUJFWSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C(C)C ZINC000346276552 180251365 /nfs/dbraw/zinc/25/13/65/180251365.db2.gz LEZQZTHCTYRSDF-CYBMUJFWSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377580704 180252839 /nfs/dbraw/zinc/25/28/39/180252839.db2.gz DCRPHVBYIMQPFM-AWEZNQCLSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000377580704 180252840 /nfs/dbraw/zinc/25/28/40/180252840.db2.gz DCRPHVBYIMQPFM-AWEZNQCLSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1F ZINC000270648657 180253108 /nfs/dbraw/zinc/25/31/08/180253108.db2.gz LCMXPJXKIRUVTJ-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1F ZINC000270648657 180253109 /nfs/dbraw/zinc/25/31/09/180253109.db2.gz LCMXPJXKIRUVTJ-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@H](C)CC1 ZINC000276890528 180254102 /nfs/dbraw/zinc/25/41/02/180254102.db2.gz GEGPIDFGKIORPY-LLVKDONJSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@H](C)CC1 ZINC000276890528 180254106 /nfs/dbraw/zinc/25/41/06/180254106.db2.gz GEGPIDFGKIORPY-LLVKDONJSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(C)C)C1 ZINC000336685497 180254714 /nfs/dbraw/zinc/25/47/14/180254714.db2.gz VIZNFIOUCOVFFW-CYBMUJFWSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000336685497 180254717 /nfs/dbraw/zinc/25/47/17/180254717.db2.gz VIZNFIOUCOVFFW-CYBMUJFWSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000336346077 180255028 /nfs/dbraw/zinc/25/50/28/180255028.db2.gz RIIXHZRVRBXVNE-OLZOCXBDSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000336346077 180255030 /nfs/dbraw/zinc/25/50/30/180255030.db2.gz RIIXHZRVRBXVNE-OLZOCXBDSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccsc2C1 ZINC000270851390 180255707 /nfs/dbraw/zinc/25/57/07/180255707.db2.gz HZCZFLKIUXOFBI-UHFFFAOYSA-N 2 2 247.367 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccsc2C1 ZINC000270851390 180255708 /nfs/dbraw/zinc/25/57/08/180255708.db2.gz HZCZFLKIUXOFBI-UHFFFAOYSA-N 2 2 247.367 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000309059830 180256496 /nfs/dbraw/zinc/25/64/96/180256496.db2.gz SASBYMACLTYTOA-VXGBXAGGSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353168452 180242602 /nfs/dbraw/zinc/24/26/02/180242602.db2.gz CCJHNCNAIJNSJC-LLVKDONJSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353168452 180242603 /nfs/dbraw/zinc/24/26/03/180242603.db2.gz CCJHNCNAIJNSJC-LLVKDONJSA-N 2 2 243.301 2.311 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000252218697 538086421 /nfs/dbraw/zinc/08/64/21/538086421.db2.gz ZUGDNDALWTXABJ-BYNQJWBRSA-N 2 2 246.354 2.054 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000309305252 350275940 /nfs/dbraw/zinc/27/59/40/350275940.db2.gz AOSMPMIZSMVNLC-IYXRBSQSSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000309305252 350275943 /nfs/dbraw/zinc/27/59/43/350275943.db2.gz AOSMPMIZSMVNLC-IYXRBSQSSA-N 2 2 224.392 2.352 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2ccc(C)o2)CC1 ZINC000037977186 350297171 /nfs/dbraw/zinc/29/71/71/350297171.db2.gz WNBAMWINVJKXOM-UHFFFAOYSA-N 2 2 222.332 2.162 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427864728 191097368 /nfs/dbraw/zinc/09/73/68/191097368.db2.gz LYKFBKKDTYGXCP-DGCLKSJQSA-N 2 2 233.359 2.366 20 0 BEADLP Cc1ncsc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000228290494 180316412 /nfs/dbraw/zinc/31/64/12/180316412.db2.gz PRBUBWTUBUPDTO-MWLCHTKSSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000228290494 180316415 /nfs/dbraw/zinc/31/64/15/180316415.db2.gz PRBUBWTUBUPDTO-MWLCHTKSSA-N 2 2 239.388 2.011 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1C1CC1)CC2 ZINC000427881989 191099045 /nfs/dbraw/zinc/09/90/45/191099045.db2.gz LAXSZAVIKJYQDP-RDBSUJKOSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC=CCC1 ZINC000035275153 358456325 /nfs/dbraw/zinc/45/63/25/358456325.db2.gz WXACJPFUULJDEF-QWHCGFSZSA-N 2 2 219.332 2.218 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC=CCC1 ZINC000035275150 358456894 /nfs/dbraw/zinc/45/68/94/358456894.db2.gz WXACJPFUULJDEF-OLZOCXBDSA-N 2 2 219.332 2.218 20 0 BEADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@@H]1C ZINC000577505982 365972005 /nfs/dbraw/zinc/97/20/05/365972005.db2.gz RYYXVXUWLVIYHE-STQMWFEESA-N 2 2 235.375 2.331 20 0 BEADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[C@@H]1C ZINC000577505982 365972006 /nfs/dbraw/zinc/97/20/06/365972006.db2.gz RYYXVXUWLVIYHE-STQMWFEESA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)c1[nH+]ccn1CC[NH+]1CCCCC1 ZINC000070423108 350534594 /nfs/dbraw/zinc/53/45/94/350534594.db2.gz QFTROENVYZKGQS-UHFFFAOYSA-N 2 2 221.348 2.492 20 0 BEADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000322336137 350617228 /nfs/dbraw/zinc/61/72/28/350617228.db2.gz AIICRIWLWMOZFD-GFCCVEGCSA-N 2 2 207.321 2.051 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000300993182 490674646 /nfs/dbraw/zinc/67/46/46/490674646.db2.gz VXEKHUROXWBEMH-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000300993182 490674648 /nfs/dbraw/zinc/67/46/48/490674648.db2.gz VXEKHUROXWBEMH-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000154630792 191115516 /nfs/dbraw/zinc/11/55/16/191115516.db2.gz INXUPZBWZUDTNO-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000154630792 191115519 /nfs/dbraw/zinc/11/55/19/191115519.db2.gz INXUPZBWZUDTNO-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1nocc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000339382067 180506225 /nfs/dbraw/zinc/50/62/25/180506225.db2.gz OSWFGMZYHBRQQW-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000336687535 350960581 /nfs/dbraw/zinc/96/05/81/350960581.db2.gz LJUCEOMVVSMNBQ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000397838867 350982431 /nfs/dbraw/zinc/98/24/31/350982431.db2.gz PPAJBHNCFZZBKC-DGCLKSJQSA-N 2 2 236.384 2.416 20 0 BEADLP COc1c(C)cc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000259235820 351068903 /nfs/dbraw/zinc/06/89/03/351068903.db2.gz YCQCVGSVFWMLIA-AWEZNQCLSA-N 2 2 248.370 2.106 20 0 BEADLP COc1c(C)cc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1C ZINC000259235820 351068905 /nfs/dbraw/zinc/06/89/05/351068905.db2.gz YCQCVGSVFWMLIA-AWEZNQCLSA-N 2 2 248.370 2.106 20 0 BEADLP C[N@@H+](Cc1ccc2[nH]ccc2c1)CC1C[NH+](C)C1 ZINC000628338628 351285692 /nfs/dbraw/zinc/28/56/92/351285692.db2.gz QSYLGLNSQRIXAS-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@H+](Cc1ccc2[nH]ccc2c1)CC1C[NH+](C)C1 ZINC000628338628 351285693 /nfs/dbraw/zinc/28/56/93/351285693.db2.gz QSYLGLNSQRIXAS-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252712671 538100148 /nfs/dbraw/zinc/10/01/48/538100148.db2.gz NALQMLJHVRARCP-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000252712671 538100150 /nfs/dbraw/zinc/10/01/50/538100150.db2.gz NALQMLJHVRARCP-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP CCC[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)OCC ZINC000623599970 363037712 /nfs/dbraw/zinc/03/77/12/363037712.db2.gz WSMQOLLWYRWTRJ-ZDUSSCGKSA-N 2 2 239.363 2.023 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccoc1 ZINC000577720060 366042163 /nfs/dbraw/zinc/04/21/63/366042163.db2.gz QADOTVPYUZRROD-CMPLNLGQSA-N 2 2 210.321 2.304 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000577769432 366059125 /nfs/dbraw/zinc/05/91/25/366059125.db2.gz KZPTUKUTUGWBAY-LLVKDONJSA-N 2 2 208.349 2.003 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)nc1 ZINC000414854736 351905758 /nfs/dbraw/zinc/90/57/58/351905758.db2.gz VHHQSTNRYZDAAX-HNNXBMFYSA-N 2 2 247.386 2.387 20 0 BEADLP c1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)sn1 ZINC000638085495 351962443 /nfs/dbraw/zinc/96/24/43/351962443.db2.gz LVIYTLDZTVTHBD-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)sn1 ZINC000638085495 351962444 /nfs/dbraw/zinc/96/24/44/351962444.db2.gz LVIYTLDZTVTHBD-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP c1[nH]cc(C2CC[NH+](CCC[C@@H]3CCO3)CC2)[nH+]1 ZINC000638086493 351963774 /nfs/dbraw/zinc/96/37/74/351963774.db2.gz SEUJNINWMYOUCV-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP COc1cccc(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000638304649 352135522 /nfs/dbraw/zinc/13/55/22/352135522.db2.gz RZPSKIAOPLDEQM-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340238773 352102895 /nfs/dbraw/zinc/10/28/95/352102895.db2.gz KVVDTYWUPBRVHC-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340238773 352102896 /nfs/dbraw/zinc/10/28/96/352102896.db2.gz KVVDTYWUPBRVHC-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+]C[C@](C)(CC)OC)[NH+]1CCCC1 ZINC000638353524 352167554 /nfs/dbraw/zinc/16/75/54/352167554.db2.gz APBFZMRNCQUGEX-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638364183 352177036 /nfs/dbraw/zinc/17/70/36/352177036.db2.gz WULHWVXVUCFVCY-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638364183 352177037 /nfs/dbraw/zinc/17/70/37/352177037.db2.gz WULHWVXVUCFVCY-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1cc(NC2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000220938150 363144016 /nfs/dbraw/zinc/14/40/16/363144016.db2.gz GCDKGJZHRBIKMR-UHFFFAOYSA-N 2 2 234.347 2.070 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638585936 352415996 /nfs/dbraw/zinc/41/59/96/352415996.db2.gz MOTBSIAXPIZDEG-UHFFFAOYSA-N 2 2 244.448 2.451 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638585936 352416000 /nfs/dbraw/zinc/41/60/00/352416000.db2.gz MOTBSIAXPIZDEG-UHFFFAOYSA-N 2 2 244.448 2.451 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000638604696 352440184 /nfs/dbraw/zinc/44/01/84/352440184.db2.gz LTJZRHHKAWZZAZ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000638604696 352440188 /nfs/dbraw/zinc/44/01/88/352440188.db2.gz LTJZRHHKAWZZAZ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](C[NH2+]CC1CCSCC1)[N@H+](C)C1CC1 ZINC000638576333 352406854 /nfs/dbraw/zinc/40/68/54/352406854.db2.gz ZCYLUYGJMFPSFA-LLVKDONJSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](C[NH2+]CC1CCSCC1)[N@@H+](C)C1CC1 ZINC000638576333 352406860 /nfs/dbraw/zinc/40/68/60/352406860.db2.gz ZCYLUYGJMFPSFA-LLVKDONJSA-N 2 2 242.432 2.202 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041027993 352600208 /nfs/dbraw/zinc/60/02/08/352600208.db2.gz UXZQPUCAMFDEQE-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041027993 352600209 /nfs/dbraw/zinc/60/02/09/352600209.db2.gz UXZQPUCAMFDEQE-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000041029930 352601391 /nfs/dbraw/zinc/60/13/91/352601391.db2.gz AJVDSRFEVNMLMB-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000041029930 352601393 /nfs/dbraw/zinc/60/13/93/352601393.db2.gz AJVDSRFEVNMLMB-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP CCc1cnc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000300360548 352560129 /nfs/dbraw/zinc/56/01/29/352560129.db2.gz UEAQTUGNVFEQDX-NXEZZACHSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1cnc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000300360548 352560132 /nfs/dbraw/zinc/56/01/32/352560132.db2.gz UEAQTUGNVFEQDX-NXEZZACHSA-N 2 2 239.388 2.017 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044540459 352654883 /nfs/dbraw/zinc/65/48/83/352654883.db2.gz UPTPCMMUIDNXLJ-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCOc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044540459 352654884 /nfs/dbraw/zinc/65/48/84/352654884.db2.gz UPTPCMMUIDNXLJ-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1occc1C ZINC000412027089 191239397 /nfs/dbraw/zinc/23/93/97/191239397.db2.gz NUYMIMSOPWFQKW-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1occc1C ZINC000412027089 191239399 /nfs/dbraw/zinc/23/93/99/191239399.db2.gz NUYMIMSOPWFQKW-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638782545 352735754 /nfs/dbraw/zinc/73/57/54/352735754.db2.gz ZZQLYYKDINXSOJ-VVSAWPALSA-N 2 2 234.387 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638782545 352735755 /nfs/dbraw/zinc/73/57/55/352735755.db2.gz ZZQLYYKDINXSOJ-VVSAWPALSA-N 2 2 234.387 2.105 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000334190600 352780998 /nfs/dbraw/zinc/78/09/98/352780998.db2.gz MYMWQEBRDPRDQC-AWEZNQCLSA-N 2 2 241.338 2.296 20 0 BEADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCCCO3)CC2)[nH]1 ZINC000334194985 352787689 /nfs/dbraw/zinc/78/76/89/352787689.db2.gz JICNBWPOKZFUAK-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000345165591 538105622 /nfs/dbraw/zinc/10/56/22/538105622.db2.gz AYLAUHZZQSZRKY-VXGBXAGGSA-N 2 2 248.374 2.012 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000345165591 538105623 /nfs/dbraw/zinc/10/56/23/538105623.db2.gz AYLAUHZZQSZRKY-VXGBXAGGSA-N 2 2 248.374 2.012 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638874183 353044577 /nfs/dbraw/zinc/04/45/77/353044577.db2.gz QAYDGBKUKRNIHR-TUVASFSCSA-N 2 2 236.403 2.354 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638874183 353044579 /nfs/dbraw/zinc/04/45/79/353044579.db2.gz QAYDGBKUKRNIHR-TUVASFSCSA-N 2 2 236.403 2.354 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336757268 353158985 /nfs/dbraw/zinc/15/89/85/353158985.db2.gz JCSMMRPWLARABW-RWMBFGLXSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000336757268 353158988 /nfs/dbraw/zinc/15/89/88/353158988.db2.gz JCSMMRPWLARABW-RWMBFGLXSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367793810 188072572 /nfs/dbraw/zinc/07/25/72/188072572.db2.gz PTYFFPHQVYBVGL-CHWSQXEVSA-N 2 2 210.365 2.345 20 0 BEADLP CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367793810 188072573 /nfs/dbraw/zinc/07/25/73/188072573.db2.gz PTYFFPHQVYBVGL-CHWSQXEVSA-N 2 2 210.365 2.345 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1C ZINC000050597697 353172279 /nfs/dbraw/zinc/17/22/79/353172279.db2.gz XQPZFRVUJJVESE-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1C ZINC000050597697 353172283 /nfs/dbraw/zinc/17/22/83/353172283.db2.gz XQPZFRVUJJVESE-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051627261 353178608 /nfs/dbraw/zinc/17/86/08/353178608.db2.gz MTSQQNLQGDYCFG-ZIAGYGMSSA-N 2 2 218.344 2.479 20 0 BEADLP CCC[C@H](CC)[NH2+]CCCn1cc[nH+]c1 ZINC000050403233 188154143 /nfs/dbraw/zinc/15/41/43/188154143.db2.gz XHLCCPDQEMQDLR-LBPRGKRZSA-N 2 2 209.337 2.442 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000309583251 188168090 /nfs/dbraw/zinc/16/80/90/188168090.db2.gz UIPLWPDJZWWZMI-CYBMUJFWSA-N 2 2 222.376 2.395 20 0 BEADLP C([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000336762672 188172158 /nfs/dbraw/zinc/17/21/58/188172158.db2.gz OIWXDWSCVBSQJO-ZDUSSCGKSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000336762672 188172160 /nfs/dbraw/zinc/17/21/60/188172160.db2.gz OIWXDWSCVBSQJO-ZDUSSCGKSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000328238898 353245080 /nfs/dbraw/zinc/24/50/80/353245080.db2.gz HROVKUAWJDJPKF-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000328238898 353245084 /nfs/dbraw/zinc/24/50/84/353245084.db2.gz HROVKUAWJDJPKF-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP c1ccc(SCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038078681 188177597 /nfs/dbraw/zinc/17/75/97/188177597.db2.gz LKZJACDFAZBVAC-UHFFFAOYSA-N 2 2 236.384 2.074 20 0 BEADLP c1ccc(SCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038078681 188177599 /nfs/dbraw/zinc/17/75/99/188177599.db2.gz LKZJACDFAZBVAC-UHFFFAOYSA-N 2 2 236.384 2.074 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000231634474 188187741 /nfs/dbraw/zinc/18/77/41/188187741.db2.gz NPULTFBFVPRBRJ-CYBMUJFWSA-N 2 2 235.375 2.463 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000231634474 188187743 /nfs/dbraw/zinc/18/77/43/188187743.db2.gz NPULTFBFVPRBRJ-CYBMUJFWSA-N 2 2 235.375 2.463 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336767449 353272009 /nfs/dbraw/zinc/27/20/09/353272009.db2.gz SLDAGQXHQMOPOE-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336768037 353277070 /nfs/dbraw/zinc/27/70/70/353277070.db2.gz UGCXGLXPXQNOEH-FRRDWIJNSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336768037 353277071 /nfs/dbraw/zinc/27/70/71/353277071.db2.gz UGCXGLXPXQNOEH-FRRDWIJNSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000165304664 353294877 /nfs/dbraw/zinc/29/48/77/353294877.db2.gz URAXCEDBBODKOL-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000165304664 353294880 /nfs/dbraw/zinc/29/48/80/353294880.db2.gz URAXCEDBBODKOL-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336770484 353302592 /nfs/dbraw/zinc/30/25/92/353302592.db2.gz SYJGLAPWVURCDG-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336770484 353302596 /nfs/dbraw/zinc/30/25/96/353302596.db2.gz SYJGLAPWVURCDG-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639071398 353386961 /nfs/dbraw/zinc/38/69/61/353386961.db2.gz JKDUTXAQXMSXMF-GFCCVEGCSA-N 2 2 233.359 2.224 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343306096 353524834 /nfs/dbraw/zinc/52/48/34/353524834.db2.gz UPDMOSXZSHPAFQ-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343306096 353524837 /nfs/dbraw/zinc/52/48/37/353524837.db2.gz UPDMOSXZSHPAFQ-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1ccc(CCC[NH2+]Cc2ccn(C)c2)c[nH+]1 ZINC000354419961 188418482 /nfs/dbraw/zinc/41/84/82/188418482.db2.gz MYOOESLVAKYFDA-UHFFFAOYSA-N 2 2 243.354 2.451 20 0 BEADLP CC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343318107 353665141 /nfs/dbraw/zinc/66/51/41/353665141.db2.gz WQKWZXVABYJYNA-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP CC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343318107 353665146 /nfs/dbraw/zinc/66/51/46/353665146.db2.gz WQKWZXVABYJYNA-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP CO[C@@H](C)C[N@H+](CCCn1cc[nH+]c1)C(C)C ZINC000343323215 353698362 /nfs/dbraw/zinc/69/83/62/353698362.db2.gz UGLZRJXLFOUZHP-ZDUSSCGKSA-N 2 2 239.363 2.019 20 0 BEADLP CO[C@@H](C)C[N@@H+](CCCn1cc[nH+]c1)C(C)C ZINC000343323215 353698366 /nfs/dbraw/zinc/69/83/66/353698366.db2.gz UGLZRJXLFOUZHP-ZDUSSCGKSA-N 2 2 239.363 2.019 20 0 BEADLP CC(C)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343324789 353707545 /nfs/dbraw/zinc/70/75/45/353707545.db2.gz XRCDXRAIRWNYML-ZDUSSCGKSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343324789 353707546 /nfs/dbraw/zinc/70/75/46/353707546.db2.gz XRCDXRAIRWNYML-ZDUSSCGKSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000343633814 353948890 /nfs/dbraw/zinc/94/88/90/353948890.db2.gz DMRKFBBTOHDCHN-KBPBESRZSA-N 2 2 245.370 2.168 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053344126 188523011 /nfs/dbraw/zinc/52/30/11/188523011.db2.gz ACHDOALILUCYBD-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053344126 188523012 /nfs/dbraw/zinc/52/30/12/188523012.db2.gz ACHDOALILUCYBD-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000343576179 353938318 /nfs/dbraw/zinc/93/83/18/353938318.db2.gz SBHHXDZXLLNUHT-ZFWWWQNUSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000343576179 353938321 /nfs/dbraw/zinc/93/83/21/353938321.db2.gz SBHHXDZXLLNUHT-ZFWWWQNUSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000343576178 353938374 /nfs/dbraw/zinc/93/83/74/353938374.db2.gz SBHHXDZXLLNUHT-UKRRQHHQSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000343576178 353938376 /nfs/dbraw/zinc/93/83/76/353938376.db2.gz SBHHXDZXLLNUHT-UKRRQHHQSA-N 2 2 232.371 2.343 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@](C)(CC)OC ZINC000639165507 353992576 /nfs/dbraw/zinc/99/25/76/353992576.db2.gz KVDFZJBEBCFTQL-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@](C)(CC)OC ZINC000639165507 353992577 /nfs/dbraw/zinc/99/25/77/353992577.db2.gz KVDFZJBEBCFTQL-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCOC2)c[nH+]1 ZINC000343644022 353951827 /nfs/dbraw/zinc/95/18/27/353951827.db2.gz WALDIRRHGVQWTD-DZGCQCFKSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000334558033 354005770 /nfs/dbraw/zinc/00/57/70/354005770.db2.gz CTYJGFWWWSJPEH-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000334558033 354005774 /nfs/dbraw/zinc/00/57/74/354005774.db2.gz CTYJGFWWWSJPEH-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000343888714 354051106 /nfs/dbraw/zinc/05/11/06/354051106.db2.gz KFJNQNHDAPWGPO-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000343888714 354051109 /nfs/dbraw/zinc/05/11/09/354051109.db2.gz KFJNQNHDAPWGPO-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000343888707 354051441 /nfs/dbraw/zinc/05/14/41/354051441.db2.gz KFJNQNHDAPWGPO-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000343888707 354051444 /nfs/dbraw/zinc/05/14/44/354051444.db2.gz KFJNQNHDAPWGPO-GDBMZVCRSA-N 2 2 246.398 2.386 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000344090683 354137836 /nfs/dbraw/zinc/13/78/36/354137836.db2.gz UYFXDONQYDKNKW-ZDUSSCGKSA-N 2 2 219.332 2.171 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000344090683 354137839 /nfs/dbraw/zinc/13/78/39/354137839.db2.gz UYFXDONQYDKNKW-ZDUSSCGKSA-N 2 2 219.332 2.171 20 0 BEADLP CC(C)C1(C[N@@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000639172095 354147241 /nfs/dbraw/zinc/14/72/41/354147241.db2.gz KGACECHKCCWFBR-UHFFFAOYSA-N 2 2 222.376 2.203 20 0 BEADLP CC(C)C1(C[N@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000639172095 354147244 /nfs/dbraw/zinc/14/72/44/354147244.db2.gz KGACECHKCCWFBR-UHFFFAOYSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H](C[NH2+]C1C2CC3CC(C2)CC1C3)[NH+](C)C ZINC000038087741 358483561 /nfs/dbraw/zinc/48/35/61/358483561.db2.gz ORSFHRADZDJZCA-GFSREQAASA-N 2 2 236.403 2.351 20 0 BEADLP CC[C@](C)(C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175446 354196084 /nfs/dbraw/zinc/19/60/84/354196084.db2.gz NXVCWBYXXNSKPD-CYBMUJFWSA-N 2 2 239.363 2.020 20 0 BEADLP CC[C@](C)(C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175446 354196087 /nfs/dbraw/zinc/19/60/87/354196087.db2.gz NXVCWBYXXNSKPD-CYBMUJFWSA-N 2 2 239.363 2.020 20 0 BEADLP CC1CC([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000231787326 363352528 /nfs/dbraw/zinc/35/25/28/363352528.db2.gz DCPLGEFIROUXCN-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000344346098 354237779 /nfs/dbraw/zinc/23/77/79/354237779.db2.gz GDAKOBYZJQGANE-XPKDYRNWSA-N 2 2 244.382 2.256 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000344346098 354237782 /nfs/dbraw/zinc/23/77/82/354237782.db2.gz GDAKOBYZJQGANE-XPKDYRNWSA-N 2 2 244.382 2.256 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634731 366199156 /nfs/dbraw/zinc/19/91/56/366199156.db2.gz YGQYWGSFXQSUSW-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634731 366199159 /nfs/dbraw/zinc/19/91/59/366199159.db2.gz YGQYWGSFXQSUSW-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334647419 354437772 /nfs/dbraw/zinc/43/77/72/354437772.db2.gz MKKUMTQNMZJBQP-SNVBAGLBSA-N 2 2 247.367 2.427 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334647419 354437774 /nfs/dbraw/zinc/43/77/74/354437774.db2.gz MKKUMTQNMZJBQP-SNVBAGLBSA-N 2 2 247.367 2.427 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000334654497 354448147 /nfs/dbraw/zinc/44/81/47/354448147.db2.gz VVJRHSQAPKLWBG-DGCLKSJQSA-N 2 2 208.349 2.027 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000334654497 354448148 /nfs/dbraw/zinc/44/81/48/354448148.db2.gz VVJRHSQAPKLWBG-DGCLKSJQSA-N 2 2 208.349 2.027 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000334692036 354481236 /nfs/dbraw/zinc/48/12/36/354481236.db2.gz JDRPWWHWCOJSJN-NSHDSACASA-N 2 2 221.348 2.454 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1[C@@H](C)CCC1(C)C ZINC000334692036 354481238 /nfs/dbraw/zinc/48/12/38/354481238.db2.gz JDRPWWHWCOJSJN-NSHDSACASA-N 2 2 221.348 2.454 20 0 BEADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC23CCC3)n1C ZINC000335107064 354692168 /nfs/dbraw/zinc/69/21/68/354692168.db2.gz AGNJAAQFVAUSIL-UHFFFAOYSA-N 2 2 248.374 2.005 20 0 BEADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC23CCC3)n1C ZINC000335107064 354692170 /nfs/dbraw/zinc/69/21/70/354692170.db2.gz AGNJAAQFVAUSIL-UHFFFAOYSA-N 2 2 248.374 2.005 20 0 BEADLP CC1=C(C)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000335109796 354695535 /nfs/dbraw/zinc/69/55/35/354695535.db2.gz ITYFKJHESKPMED-UHFFFAOYSA-N 2 2 248.374 2.028 20 0 BEADLP CC1=C(C)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000335109796 354695536 /nfs/dbraw/zinc/69/55/36/354695536.db2.gz ITYFKJHESKPMED-UHFFFAOYSA-N 2 2 248.374 2.028 20 0 BEADLP CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000233281596 363398907 /nfs/dbraw/zinc/39/89/07/363398907.db2.gz DYIDPOSKUVWDCS-DGCLKSJQSA-N 2 2 206.333 2.465 20 0 BEADLP Fc1ccc(C2([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000346304291 354891210 /nfs/dbraw/zinc/89/12/10/354891210.db2.gz HIOGKTSBPFIVTA-UHFFFAOYSA-N 2 2 245.301 2.301 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235447370 363444982 /nfs/dbraw/zinc/44/49/82/363444982.db2.gz DAUGSZZKFQFBME-QJPTWQEYSA-N 2 2 212.381 2.351 20 0 BEADLP COC1CCC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000346329421 354898352 /nfs/dbraw/zinc/89/83/52/354898352.db2.gz MQQIDADIKLUGFL-RYSNWHEDSA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000346329421 354898353 /nfs/dbraw/zinc/89/83/53/354898353.db2.gz MQQIDADIKLUGFL-RYSNWHEDSA-N 2 2 240.391 2.016 20 0 BEADLP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335177645 354947812 /nfs/dbraw/zinc/94/78/12/354947812.db2.gz KKOQTLRPVXJSBH-TZMCWYRMSA-N 2 2 246.354 2.242 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000335231162 355074191 /nfs/dbraw/zinc/07/41/91/355074191.db2.gz ZMHPZBOMZOLXJW-GXTWGEPZSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000335231162 355074194 /nfs/dbraw/zinc/07/41/94/355074194.db2.gz ZMHPZBOMZOLXJW-GXTWGEPZSA-N 2 2 234.318 2.236 20 0 BEADLP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335181381 355078658 /nfs/dbraw/zinc/07/86/58/355078658.db2.gz PMYBUYFHNLPZKH-BXUZGUMPSA-N 2 2 246.354 2.111 20 0 BEADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000335182947 355081362 /nfs/dbraw/zinc/08/13/62/355081362.db2.gz YAHDVPZELLJQAP-IUODEOHRSA-N 2 2 246.354 2.111 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CCC[N@@H+]1C ZINC000346800543 355108408 /nfs/dbraw/zinc/10/84/08/355108408.db2.gz RNYRXCQWNDTXMX-MLGOLLRUSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2Cc3ccccc3C2)CCC[N@H+]1C ZINC000346800543 355108411 /nfs/dbraw/zinc/10/84/11/355108411.db2.gz RNYRXCQWNDTXMX-MLGOLLRUSA-N 2 2 244.382 2.226 20 0 BEADLP COc1ccsc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000347013315 355205108 /nfs/dbraw/zinc/20/51/08/355205108.db2.gz HVAIBHJSNNQHDF-JTQLQIEISA-N 2 2 240.372 2.070 20 0 BEADLP COc1ccsc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000347013315 355205110 /nfs/dbraw/zinc/20/51/10/355205110.db2.gz HVAIBHJSNNQHDF-JTQLQIEISA-N 2 2 240.372 2.070 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC000639241961 355228422 /nfs/dbraw/zinc/22/84/22/355228422.db2.gz KPBWIZVBTXILDT-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC000639241961 355228425 /nfs/dbraw/zinc/22/84/25/355228425.db2.gz KPBWIZVBTXILDT-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CS1 ZINC000639241960 355228430 /nfs/dbraw/zinc/22/84/30/355228430.db2.gz KPBWIZVBTXILDT-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CS1 ZINC000639241960 355228432 /nfs/dbraw/zinc/22/84/32/355228432.db2.gz KPBWIZVBTXILDT-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cscn1 ZINC000335281663 355272670 /nfs/dbraw/zinc/27/26/70/355272670.db2.gz JGQQGIZXNROIIP-ZJUUUORDSA-N 2 2 248.355 2.005 20 0 BEADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000335616452 355323440 /nfs/dbraw/zinc/32/34/40/355323440.db2.gz HCAKSEXOCRZIQW-TZMCWYRMSA-N 2 2 218.344 2.316 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000335641537 355329413 /nfs/dbraw/zinc/32/94/13/355329413.db2.gz HKAHGSSXKLACMK-NSHDSACASA-N 2 2 240.297 2.197 20 0 BEADLP CCCc1csc(C[NH2+]C[C@H]([NH3+])C(C)C)n1 ZINC000414796164 191570309 /nfs/dbraw/zinc/57/03/09/191570309.db2.gz NRWBLFBZRYIFTP-NSHDSACASA-N 2 2 241.404 2.169 20 0 BEADLP Cc1cccc([C@H]2CCC[N@@H+]2CC(C)(C)[NH3+])n1 ZINC000335857120 355602312 /nfs/dbraw/zinc/60/23/12/355602312.db2.gz MLSVRJMZTLZEKC-CYBMUJFWSA-N 2 2 233.359 2.264 20 0 BEADLP Cc1cccc([C@H]2CCC[N@H+]2CC(C)(C)[NH3+])n1 ZINC000335857120 355602314 /nfs/dbraw/zinc/60/23/14/355602314.db2.gz MLSVRJMZTLZEKC-CYBMUJFWSA-N 2 2 233.359 2.264 20 0 BEADLP CCC[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639303219 355653067 /nfs/dbraw/zinc/65/30/67/355653067.db2.gz NYECCODFQCPNOW-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@H](C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639303219 355653069 /nfs/dbraw/zinc/65/30/69/355653069.db2.gz NYECCODFQCPNOW-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639304418 355658928 /nfs/dbraw/zinc/65/89/28/355658928.db2.gz ZKOHDSITLFJZJF-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639304418 355658931 /nfs/dbraw/zinc/65/89/31/355658931.db2.gz ZKOHDSITLFJZJF-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000353971150 355676076 /nfs/dbraw/zinc/67/60/76/355676076.db2.gz IJRHYADKCQAJFC-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000353971150 355676077 /nfs/dbraw/zinc/67/60/77/355676077.db2.gz IJRHYADKCQAJFC-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC1(C)C ZINC000353249227 355767797 /nfs/dbraw/zinc/76/77/97/355767797.db2.gz MOWNBHACBAAGBM-GARJFASQSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC1(C)C ZINC000353249227 355767800 /nfs/dbraw/zinc/76/78/00/355767800.db2.gz MOWNBHACBAAGBM-GARJFASQSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417350717 191791351 /nfs/dbraw/zinc/79/13/51/191791351.db2.gz BASRWZCKLUPQRT-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000584350694 356064256 /nfs/dbraw/zinc/06/42/56/356064256.db2.gz YFXSILPJYOFREH-BZTHDZJNSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CC2CCC1CC2 ZINC000584350694 356064259 /nfs/dbraw/zinc/06/42/59/356064259.db2.gz YFXSILPJYOFREH-BZTHDZJNSA-N 2 2 236.403 2.352 20 0 BEADLP CC1(F)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000639389158 356011319 /nfs/dbraw/zinc/01/13/19/356011319.db2.gz RMGWAQXHVRZDQO-UHFFFAOYSA-N 2 2 237.322 2.153 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC000336100864 134083251 /nfs/dbraw/zinc/08/32/51/134083251.db2.gz DYPTUSQCJICHTM-RYUDHWBXSA-N 2 2 245.326 2.450 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CO)c(C)[nH+]1 ZINC000639451414 356230841 /nfs/dbraw/zinc/23/08/41/356230841.db2.gz GECVHGRWOREUID-CQSZACIVSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CO)c(C)[nH+]1 ZINC000639451414 356230846 /nfs/dbraw/zinc/23/08/46/356230846.db2.gz GECVHGRWOREUID-CQSZACIVSA-N 2 2 248.370 2.354 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000420294705 192203668 /nfs/dbraw/zinc/20/36/68/192203668.db2.gz UJEAFSJKYCMAFL-ZDUSSCGKSA-N 2 2 238.400 2.365 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000420294705 192203670 /nfs/dbraw/zinc/20/36/70/192203670.db2.gz UJEAFSJKYCMAFL-ZDUSSCGKSA-N 2 2 238.400 2.365 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1cc(F)cc(F)c1)C1CC1 ZINC000420286419 192202077 /nfs/dbraw/zinc/20/20/77/192202077.db2.gz GJVYGJHHXMAHKG-CYBMUJFWSA-N 2 2 240.297 2.182 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccccc1 ZINC000420353905 192217436 /nfs/dbraw/zinc/21/74/36/192217436.db2.gz AVIDRXITKYUXAP-DYEKYZERSA-N 2 2 218.344 2.163 20 0 BEADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000639514290 356347548 /nfs/dbraw/zinc/34/75/48/356347548.db2.gz MZUSPOVCNTUTDL-AAEUAGOBSA-N 2 2 249.358 2.014 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C[C@H](O)C2CC2)c(C)[nH+]1 ZINC000639514214 356347720 /nfs/dbraw/zinc/34/77/20/356347720.db2.gz JUCAJNYLFZURNF-HNNXBMFYSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C[C@H](O)C2CC2)c(C)[nH+]1 ZINC000639514214 356347725 /nfs/dbraw/zinc/34/77/25/356347725.db2.gz JUCAJNYLFZURNF-HNNXBMFYSA-N 2 2 248.370 2.210 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000420366357 192226504 /nfs/dbraw/zinc/22/65/04/192226504.db2.gz UEGFCWFZVOADDK-GFCCVEGCSA-N 2 2 239.388 2.198 20 0 BEADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000420366357 192226506 /nfs/dbraw/zinc/22/65/06/192226506.db2.gz UEGFCWFZVOADDK-GFCCVEGCSA-N 2 2 239.388 2.198 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCc1ccsc1 ZINC000420362477 192222680 /nfs/dbraw/zinc/22/26/80/192222680.db2.gz ZAPWTHOKTCJSDV-JQWIXIFHSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCc1ccsc1 ZINC000420362477 192222682 /nfs/dbraw/zinc/22/26/82/192222682.db2.gz ZAPWTHOKTCJSDV-JQWIXIFHSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOc1ccccc1 ZINC000420362195 192222862 /nfs/dbraw/zinc/22/28/62/192222862.db2.gz ILRBSOSZUNMCSR-UMVBOHGHSA-N 2 2 248.370 2.042 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000420362850 192223660 /nfs/dbraw/zinc/22/36/60/192223660.db2.gz JABVGAWIPKCDKQ-JTNHKYCSSA-N 2 2 236.334 2.302 20 0 BEADLP CCCOc1ccc2c(c1)CC[N@@H+](C[C@H](C)[NH3+])C2 ZINC000420383713 192234849 /nfs/dbraw/zinc/23/48/49/192234849.db2.gz ZWIDTFWBBXQIBL-LBPRGKRZSA-N 2 2 248.370 2.181 20 0 BEADLP CCCOc1ccc2c(c1)CC[N@H+](C[C@H](C)[NH3+])C2 ZINC000420383713 192234851 /nfs/dbraw/zinc/23/48/51/192234851.db2.gz ZWIDTFWBBXQIBL-LBPRGKRZSA-N 2 2 248.370 2.181 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(C)n1 ZINC000420374416 192231884 /nfs/dbraw/zinc/23/18/84/192231884.db2.gz RYAHVZIKBMHIOP-RIEGTJTDSA-N 2 2 247.386 2.175 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@H]1O ZINC000639553727 356455122 /nfs/dbraw/zinc/45/51/22/356455122.db2.gz GZKTWAHOVKITFO-UKRRQHHQSA-N 2 2 248.370 2.210 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@H]1O ZINC000639553727 356455126 /nfs/dbraw/zinc/45/51/26/356455126.db2.gz GZKTWAHOVKITFO-UKRRQHHQSA-N 2 2 248.370 2.210 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@@H]1O ZINC000639553726 356455571 /nfs/dbraw/zinc/45/55/71/356455571.db2.gz GZKTWAHOVKITFO-HIFRSBDPSA-N 2 2 248.370 2.210 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@@H]1O ZINC000639553726 356455575 /nfs/dbraw/zinc/45/55/75/356455575.db2.gz GZKTWAHOVKITFO-HIFRSBDPSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@](C)(O)C2)c(C)[nH+]1 ZINC000639556289 356459293 /nfs/dbraw/zinc/45/92/93/356459293.db2.gz YJQMVZVZFAEDFO-HNNXBMFYSA-N 2 2 248.370 2.354 20 0 BEADLP CCC(F)(F)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000639563925 356480311 /nfs/dbraw/zinc/48/03/11/356480311.db2.gz DBILOTXAWIYZQI-SNVBAGLBSA-N 2 2 243.301 2.255 20 0 BEADLP CCC(F)(F)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000639563925 356480316 /nfs/dbraw/zinc/48/03/16/356480316.db2.gz DBILOTXAWIYZQI-SNVBAGLBSA-N 2 2 243.301 2.255 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1 ZINC000035274921 356467669 /nfs/dbraw/zinc/46/76/69/356467669.db2.gz WBEHDBBNOGIELU-LBPRGKRZSA-N 2 2 215.300 2.061 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000086856098 535307576 /nfs/dbraw/zinc/30/75/76/535307576.db2.gz BVRXDFXEQACMHA-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000179463326 366259790 /nfs/dbraw/zinc/25/97/90/366259790.db2.gz KIOHBOCDAOSVJF-CYBMUJFWSA-N 2 2 241.338 2.330 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)C(C)(C)C2)c(C)[nH+]1 ZINC000639618632 356536359 /nfs/dbraw/zinc/53/63/59/356536359.db2.gz QSHQNJJQPFMYDT-AWEZNQCLSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1[nH+]ccn1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000336194072 134125350 /nfs/dbraw/zinc/12/53/50/134125350.db2.gz QYCMKNLDGYBLLZ-ZDUSSCGKSA-N 2 2 221.348 2.454 20 0 BEADLP Cc1[nH+]ccn1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000336194072 134125351 /nfs/dbraw/zinc/12/53/51/134125351.db2.gz QYCMKNLDGYBLLZ-ZDUSSCGKSA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@H](CO)[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639659620 356568400 /nfs/dbraw/zinc/56/84/00/356568400.db2.gz NRKCVCLZRQCZQM-CYBMUJFWSA-N 2 2 236.359 2.210 20 0 BEADLP CC[C@H](CO)[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639659620 356568403 /nfs/dbraw/zinc/56/84/03/356568403.db2.gz NRKCVCLZRQCZQM-CYBMUJFWSA-N 2 2 236.359 2.210 20 0 BEADLP CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)[C@H](C)CO ZINC000639653019 356564890 /nfs/dbraw/zinc/56/48/90/356564890.db2.gz YWRCRGBULLKJLI-GFCCVEGCSA-N 2 2 236.359 2.210 20 0 BEADLP CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)[C@H](C)CO ZINC000639653019 356564894 /nfs/dbraw/zinc/56/48/94/356564894.db2.gz YWRCRGBULLKJLI-GFCCVEGCSA-N 2 2 236.359 2.210 20 0 BEADLP CC(C)C[C@H](CN[C@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353447989 538744475 /nfs/dbraw/zinc/74/44/75/538744475.db2.gz NDQDPFJCUWBODY-VXGBXAGGSA-N 2 2 238.379 2.037 20 0 BEADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423186494 192616196 /nfs/dbraw/zinc/61/61/96/192616196.db2.gz KBFGXGKOEAQEKU-SNPRPXQTSA-N 2 2 248.370 2.104 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](COC)CC(C)C ZINC000359597211 356891666 /nfs/dbraw/zinc/89/16/66/356891666.db2.gz QYCOUIZMYWBMTD-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](COC)CC(C)C ZINC000359597211 356891669 /nfs/dbraw/zinc/89/16/69/356891669.db2.gz QYCOUIZMYWBMTD-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)C[C@@H](CN[C@@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353447988 538742734 /nfs/dbraw/zinc/74/27/34/538742734.db2.gz NDQDPFJCUWBODY-RYUDHWBXSA-N 2 2 238.379 2.037 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cnccn1 ZINC000423197675 192622061 /nfs/dbraw/zinc/62/20/61/192622061.db2.gz ANPJIGMCIVMDSE-LBPRGKRZSA-N 2 2 248.374 2.179 20 0 BEADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CC2 ZINC000423199261 192623623 /nfs/dbraw/zinc/62/36/23/192623623.db2.gz BBLUVZJCUWCYNG-YPMHNXCESA-N 2 2 236.746 2.279 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000423204186 192625961 /nfs/dbraw/zinc/62/59/61/192625961.db2.gz NXISEMWCIMPLJN-UKRRQHHQSA-N 2 2 248.370 2.488 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423222290 192633037 /nfs/dbraw/zinc/63/30/37/192633037.db2.gz AMFAMIIIKSZDBN-ZDUSSCGKSA-N 2 2 222.307 2.086 20 0 BEADLP CCC(CC)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389940105 357071759 /nfs/dbraw/zinc/07/17/59/357071759.db2.gz OJCFATOEOSAQLG-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP CCC(CC)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389940105 357071762 /nfs/dbraw/zinc/07/17/62/357071762.db2.gz OJCFATOEOSAQLG-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389964644 357075189 /nfs/dbraw/zinc/07/51/89/357075189.db2.gz WZCQDRDSROWPEW-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389964644 357075191 /nfs/dbraw/zinc/07/51/91/357075191.db2.gz WZCQDRDSROWPEW-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CC3CCC2CC3)n1C ZINC000583704259 357283427 /nfs/dbraw/zinc/28/34/27/357283427.db2.gz ASLORWWXXPWUQM-YIZWMMSDSA-N 2 2 233.359 2.397 20 0 BEADLP Cc1c[nH+]c(C)nc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000583703758 357283495 /nfs/dbraw/zinc/28/34/95/357283495.db2.gz IVUKPUZRHOIKLQ-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC1 ZINC000393755306 357296136 /nfs/dbraw/zinc/29/61/36/357296136.db2.gz WPFQWLSARDAACD-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000381460711 357259817 /nfs/dbraw/zinc/25/98/17/357259817.db2.gz KXOWYZCELDWCJU-WZRBSPASSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000381460711 357259821 /nfs/dbraw/zinc/25/98/21/357259821.db2.gz KXOWYZCELDWCJU-WZRBSPASSA-N 2 2 238.400 2.219 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582706289 357375038 /nfs/dbraw/zinc/37/50/38/357375038.db2.gz RBVZRNSDDVFQJT-DGAVXFQQSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582706289 357375042 /nfs/dbraw/zinc/37/50/42/357375042.db2.gz RBVZRNSDDVFQJT-DGAVXFQQSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H]1C[C@H]1C ZINC000321552588 357589598 /nfs/dbraw/zinc/58/95/98/357589598.db2.gz SCDGYVXMFZGYKH-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)C1(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000397878133 357777090 /nfs/dbraw/zinc/77/70/90/357777090.db2.gz WUUIWNSSYUBKGA-UHFFFAOYSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cc(C)ccc1F ZINC000234369150 357793470 /nfs/dbraw/zinc/79/34/70/357793470.db2.gz GPCNPDUXHMHMLK-UHFFFAOYSA-N 2 2 224.323 2.175 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cc(C)ccc1F ZINC000234369150 357793475 /nfs/dbraw/zinc/79/34/75/357793475.db2.gz GPCNPDUXHMHMLK-UHFFFAOYSA-N 2 2 224.323 2.175 20 0 BEADLP CC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000584446143 357925619 /nfs/dbraw/zinc/92/56/19/357925619.db2.gz DLFKEZXMVSMNAY-UHFFFAOYSA-N 2 2 219.332 2.389 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C(C1CC1)C1CC1 ZINC000036984083 358054624 /nfs/dbraw/zinc/05/46/24/358054624.db2.gz CPSUPPDXULBXHP-UHFFFAOYSA-N 2 2 210.365 2.105 20 0 BEADLP c1cn(CCCC[NH2+]C[C@@H]2CCSC2)c[nH+]1 ZINC000224408767 358233113 /nfs/dbraw/zinc/23/31/13/358233113.db2.gz LNYSVKZWRGZSHL-LBPRGKRZSA-N 2 2 239.388 2.006 20 0 BEADLP [NH3+]CCC[N@H+](Cc1ccno1)Cc1ccccc1 ZINC000230022097 358390551 /nfs/dbraw/zinc/39/05/51/358390551.db2.gz KTUJDRGWPDELPI-UHFFFAOYSA-N 2 2 245.326 2.026 20 0 BEADLP [NH3+]CCC[N@@H+](Cc1ccno1)Cc1ccccc1 ZINC000230022097 358390555 /nfs/dbraw/zinc/39/05/55/358390555.db2.gz KTUJDRGWPDELPI-UHFFFAOYSA-N 2 2 245.326 2.026 20 0 BEADLP Cc1cc[nH+]c(NCCCCn2cc[nH+]c2)c1 ZINC000045108241 358401157 /nfs/dbraw/zinc/40/11/57/358401157.db2.gz MIZWPLPICXOGAL-UHFFFAOYSA-N 2 2 230.315 2.479 20 0 BEADLP Cc1cc(NCCCCn2cc[nH+]c2)nc(C)[nH+]1 ZINC000045108287 358401500 /nfs/dbraw/zinc/40/15/00/358401500.db2.gz IGWFVLVIXDCNMF-UHFFFAOYSA-N 2 2 245.330 2.182 20 0 BEADLP COC1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000130038737 358605669 /nfs/dbraw/zinc/60/56/69/358605669.db2.gz NEGBMWYPECJVAE-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000130183984 358612431 /nfs/dbraw/zinc/61/24/31/358612431.db2.gz VESDSDPLAUHMIS-KWCYVHTRSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+](CC)CCNc1cc(CC)[nH+]cn1 ZINC000223250043 491135218 /nfs/dbraw/zinc/13/52/18/491135218.db2.gz VZWVWVQPQNLRKH-UHFFFAOYSA-N 2 2 236.363 2.183 20 0 BEADLP CCC[N@@H+](CC)CCNc1cc(CC)[nH+]cn1 ZINC000223250043 491135219 /nfs/dbraw/zinc/13/52/19/491135219.db2.gz VZWVWVQPQNLRKH-UHFFFAOYSA-N 2 2 236.363 2.183 20 0 BEADLP C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000219618904 134288877 /nfs/dbraw/zinc/28/88/77/134288877.db2.gz CTYPADWWCIACKS-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)Nc1[nH]c2ccccc2[nH+]1 ZINC000049235883 358677113 /nfs/dbraw/zinc/67/71/13/358677113.db2.gz DLCBRPVYSAHKAP-JTQLQIEISA-N 2 2 241.298 2.260 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]CCn1cc[nH+]c1 ZINC000051790187 358761134 /nfs/dbraw/zinc/76/11/34/358761134.db2.gz GLBHTQOXDXANRK-QPJJXVBHSA-N 2 2 227.311 2.186 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000050577703 358733244 /nfs/dbraw/zinc/73/32/44/358733244.db2.gz MFJYXHQTNZOVGK-AWEZNQCLSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000050577703 358733245 /nfs/dbraw/zinc/73/32/45/358733245.db2.gz MFJYXHQTNZOVGK-AWEZNQCLSA-N 2 2 248.345 2.460 20 0 BEADLP c1ccc([C@H]2C[C@@H]2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000135610796 358846898 /nfs/dbraw/zinc/84/68/98/358846898.db2.gz RSAMMOPCSJVPGH-HZPDHXFCSA-N 2 2 244.382 2.476 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1OC ZINC000423306927 192696651 /nfs/dbraw/zinc/69/66/51/192696651.db2.gz FSUKVOFYPWENTR-LBPRGKRZSA-N 2 2 236.359 2.345 20 0 BEADLP Cc1c[nH+]ccc1NCCCn1cc[nH+]c1 ZINC000070046857 359040357 /nfs/dbraw/zinc/04/03/57/359040357.db2.gz KEQMMUGXZKKMFV-UHFFFAOYSA-N 2 2 216.288 2.089 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)CCO1 ZINC000070361411 359050996 /nfs/dbraw/zinc/05/09/96/359050996.db2.gz XLRTYNHYSUFBOV-ZIAGYGMSSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)CCO1 ZINC000070361411 359051001 /nfs/dbraw/zinc/05/10/01/359051001.db2.gz XLRTYNHYSUFBOV-ZIAGYGMSSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC000070345994 359050525 /nfs/dbraw/zinc/05/05/25/359050525.db2.gz UVBQSFXVXNPXKI-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](COC)C(C)C ZINC000247952673 359249780 /nfs/dbraw/zinc/24/97/80/359249780.db2.gz FEWPJTRIXNVPAI-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](COC)C(C)C ZINC000247952673 359249785 /nfs/dbraw/zinc/24/97/85/359249785.db2.gz FEWPJTRIXNVPAI-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000423440595 192770836 /nfs/dbraw/zinc/77/08/36/192770836.db2.gz ASJOWFAAKJCQPH-KOLCDFICSA-N 2 2 210.321 2.284 20 0 BEADLP CC(C)C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccn1 ZINC000423453410 192775612 /nfs/dbraw/zinc/77/56/12/192775612.db2.gz XKVYDMFITYCBBK-OBJOEFQTSA-N 2 2 235.375 2.494 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393785531 259490107 /nfs/dbraw/zinc/49/01/07/259490107.db2.gz XKIZZANCYCWAPA-QJPTWQEYSA-N 2 2 244.448 2.446 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000308973664 491141646 /nfs/dbraw/zinc/14/16/46/491141646.db2.gz AOHXAYKMCCXUSD-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308978626 491141710 /nfs/dbraw/zinc/14/17/10/491141710.db2.gz HIXNPLKKJQKMAK-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308978626 491141711 /nfs/dbraw/zinc/14/17/11/491141711.db2.gz HIXNPLKKJQKMAK-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000309019953 491142471 /nfs/dbraw/zinc/14/24/71/491142471.db2.gz WMNHVYAFIMQDMI-CHWSQXEVSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000309019953 491142472 /nfs/dbraw/zinc/14/24/72/491142472.db2.gz WMNHVYAFIMQDMI-CHWSQXEVSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](Cc1cccs1)[NH2+]CC[NH+](C)C ZINC000309054611 491143564 /nfs/dbraw/zinc/14/35/64/491143564.db2.gz SYPURXYSSABYGT-LLVKDONJSA-N 2 2 226.389 2.220 20 0 BEADLP C([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676277 359723336 /nfs/dbraw/zinc/72/33/36/359723336.db2.gz PCGYKBXUZDJKTJ-MQYQWHSLSA-N 2 2 234.387 2.249 20 0 BEADLP C([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676277 359723343 /nfs/dbraw/zinc/72/33/43/359723343.db2.gz PCGYKBXUZDJKTJ-MQYQWHSLSA-N 2 2 234.387 2.249 20 0 BEADLP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000045955162 359747121 /nfs/dbraw/zinc/74/71/21/359747121.db2.gz NJPJJQDXHJIIES-LLVKDONJSA-N 2 2 234.347 2.072 20 0 BEADLP Cc1cc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000450952391 202319290 /nfs/dbraw/zinc/31/92/90/202319290.db2.gz SRXFLDMZZYHPTL-CYBMUJFWSA-N 2 2 248.374 2.012 20 0 BEADLP Cc1cc(N(C)[C@@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000450952391 202319294 /nfs/dbraw/zinc/31/92/94/202319294.db2.gz SRXFLDMZZYHPTL-CYBMUJFWSA-N 2 2 248.374 2.012 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000087012458 359893443 /nfs/dbraw/zinc/89/34/43/359893443.db2.gz UMUHFXDXRIAGNT-UHFFFAOYSA-N 2 2 218.344 2.215 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000087012458 359893446 /nfs/dbraw/zinc/89/34/46/359893446.db2.gz UMUHFXDXRIAGNT-UHFFFAOYSA-N 2 2 218.344 2.215 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000088162167 359938571 /nfs/dbraw/zinc/93/85/71/359938571.db2.gz OAHXYTBTFKEGSJ-JSGCOSHPSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000090721749 360085416 /nfs/dbraw/zinc/08/54/16/360085416.db2.gz RYJCDDDPLWMCRU-ZYHUDNBSSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000090721749 360085418 /nfs/dbraw/zinc/08/54/18/360085418.db2.gz RYJCDDDPLWMCRU-ZYHUDNBSSA-N 2 2 222.332 2.160 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000092564092 360179837 /nfs/dbraw/zinc/17/98/37/360179837.db2.gz USDJIZPDOVUEFL-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000092564092 360179841 /nfs/dbraw/zinc/17/98/41/360179841.db2.gz USDJIZPDOVUEFL-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000309577997 491152019 /nfs/dbraw/zinc/15/20/19/491152019.db2.gz RAAZKNKTMVYXAA-STQMWFEESA-N 2 2 219.332 2.051 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000309634745 491153283 /nfs/dbraw/zinc/15/32/83/491153283.db2.gz JAGXMCFBMJDWJO-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000309634745 491153284 /nfs/dbraw/zinc/15/32/84/491153284.db2.gz JAGXMCFBMJDWJO-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000629407240 361056212 /nfs/dbraw/zinc/05/62/12/361056212.db2.gz XVVGKQODPJFULY-JOYOIKCWSA-N 2 2 224.735 2.180 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000309652655 491153814 /nfs/dbraw/zinc/15/38/14/491153814.db2.gz ORFDFTHGQBVKAE-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000309652655 491153815 /nfs/dbraw/zinc/15/38/15/491153815.db2.gz ORFDFTHGQBVKAE-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629394836 361043016 /nfs/dbraw/zinc/04/30/16/361043016.db2.gz MNFSCLCHEPUABT-GXTWGEPZSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000629407813 361056873 /nfs/dbraw/zinc/05/68/73/361056873.db2.gz LJNJBWNWAXMFTD-TVQRCGJNSA-N 2 2 248.301 2.412 20 0 BEADLP CCC[C@H](C)CCC[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000629505897 361101237 /nfs/dbraw/zinc/10/12/37/361101237.db2.gz PTUIFECXOMKVHY-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)CCC[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000629505897 361101240 /nfs/dbraw/zinc/10/12/40/361101240.db2.gz PTUIFECXOMKVHY-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc2ncc(C[N@@H+](C)[C@H](C)C[NH3+])cc2c1 ZINC000629510423 361108366 /nfs/dbraw/zinc/10/83/66/361108366.db2.gz UAUMOJHPQOVGMU-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2ncc(C[N@H+](C)[C@H](C)C[NH3+])cc2c1 ZINC000629510423 361108371 /nfs/dbraw/zinc/10/83/71/361108371.db2.gz UAUMOJHPQOVGMU-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000629527251 361129355 /nfs/dbraw/zinc/12/93/55/361129355.db2.gz PNIASCXWRVOVRE-RWMBFGLXSA-N 2 2 234.343 2.387 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccncc1 ZINC000629528159 361132426 /nfs/dbraw/zinc/13/24/26/361132426.db2.gz QVLIPDVRRNIFLI-HZSPNIEDSA-N 2 2 233.359 2.263 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000629524669 361125987 /nfs/dbraw/zinc/12/59/87/361125987.db2.gz SQOUWIGUWXYUFH-FPMFFAJLSA-N 2 2 218.344 2.478 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000428255897 201003368 /nfs/dbraw/zinc/00/33/68/201003368.db2.gz MDOQOZSEMHGQLG-ROKHWSDSSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000428255897 201003369 /nfs/dbraw/zinc/00/33/69/201003369.db2.gz MDOQOZSEMHGQLG-ROKHWSDSSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cncc(F)c1 ZINC000629539323 361404591 /nfs/dbraw/zinc/40/45/91/361404591.db2.gz NZSUOSBPRXQARZ-GIPNMCIBSA-N 2 2 237.322 2.012 20 0 BEADLP COC1(C[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)CCC1 ZINC000429385154 201107457 /nfs/dbraw/zinc/10/74/57/201107457.db2.gz XEHREBYGHNUHNP-LBPRGKRZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560016 201114123 /nfs/dbraw/zinc/11/41/23/201114123.db2.gz IVKKJLDSCNRZST-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560016 201114126 /nfs/dbraw/zinc/11/41/26/201114126.db2.gz IVKKJLDSCNRZST-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629542675 361420778 /nfs/dbraw/zinc/42/07/78/361420778.db2.gz IWJQMKPZUTYJDO-SGMGOOAPSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545152 361425617 /nfs/dbraw/zinc/42/56/17/361425617.db2.gz AHGLUWOEYSAKBY-AZHAFVHUSA-N 2 2 230.355 2.260 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629546317 361427316 /nfs/dbraw/zinc/42/73/16/361427316.db2.gz RXPZUNMUCDYIFW-MBNYWOFBSA-N 2 2 218.344 2.396 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000629546419 361427374 /nfs/dbraw/zinc/42/73/74/361427374.db2.gz PPMPXRAKWJFQDI-COLVAYQJSA-N 2 2 246.354 2.110 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000430038416 201138153 /nfs/dbraw/zinc/13/81/53/201138153.db2.gz BFSCAGOYNMVDOK-TUAOUCFPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000430038416 201138157 /nfs/dbraw/zinc/13/81/57/201138157.db2.gz BFSCAGOYNMVDOK-TUAOUCFPSA-N 2 2 246.345 2.352 20 0 BEADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629553560 361438807 /nfs/dbraw/zinc/43/88/07/361438807.db2.gz ZPDJTNMAQQUDLX-CABCVRRESA-N 2 2 230.355 2.479 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)o1 ZINC000629549688 361441391 /nfs/dbraw/zinc/44/13/91/361441391.db2.gz YRRMOIULECVHPF-OUJBWJOFSA-N 2 2 222.332 2.297 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H]1C)C1CC1 ZINC000151864107 201185286 /nfs/dbraw/zinc/18/52/86/201185286.db2.gz ZTGLSOQGNHHCGA-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H]1C)C1CC1 ZINC000151864107 201185287 /nfs/dbraw/zinc/18/52/87/201185287.db2.gz ZTGLSOQGNHHCGA-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000629655551 361560443 /nfs/dbraw/zinc/56/04/43/361560443.db2.gz ZGUVSXJCZBJQRF-LSDHHAIUSA-N 3 2 247.386 2.053 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629659774 361564207 /nfs/dbraw/zinc/56/42/07/361564207.db2.gz GTQPDJHTPKMLHH-HIFRSBDPSA-N 2 2 247.386 2.053 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c[nH+]1 ZINC000629659774 361564215 /nfs/dbraw/zinc/56/42/15/361564215.db2.gz GTQPDJHTPKMLHH-HIFRSBDPSA-N 3 2 247.386 2.053 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]CC1=Cc2ccccc2OC1 ZINC000629649527 361544403 /nfs/dbraw/zinc/54/44/03/361544403.db2.gz UXIHLVNVCJXPBK-GFCCVEGCSA-N 2 2 246.354 2.050 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000163732654 361566033 /nfs/dbraw/zinc/56/60/33/361566033.db2.gz RRBBVQLKKYUXCM-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000163732654 361566038 /nfs/dbraw/zinc/56/60/38/361566038.db2.gz RRBBVQLKKYUXCM-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653493 361552593 /nfs/dbraw/zinc/55/25/93/361552593.db2.gz IIDZOHUMLZHSSU-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629653493 361552596 /nfs/dbraw/zinc/55/25/96/361552596.db2.gz IIDZOHUMLZHSSU-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc2c(c1)CC(C)(C)O2 ZINC000629651072 361555446 /nfs/dbraw/zinc/55/54/46/361555446.db2.gz IYXSQDFQOTWVIU-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc2c(c1)CC(C)(C)O2 ZINC000629651072 361555453 /nfs/dbraw/zinc/55/54/53/361555453.db2.gz IYXSQDFQOTWVIU-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP CC[N@@H+](C/C=C/c1ccc(F)cc1)CC[NH3+] ZINC000629651077 361556120 /nfs/dbraw/zinc/55/61/20/361556120.db2.gz JCXXUOSVJHVYFP-ONEGZZNKSA-N 2 2 222.307 2.120 20 0 BEADLP CC[N@H+](C/C=C/c1ccc(F)cc1)CC[NH3+] ZINC000629651077 361556121 /nfs/dbraw/zinc/55/61/21/361556121.db2.gz JCXXUOSVJHVYFP-ONEGZZNKSA-N 2 2 222.307 2.120 20 0 BEADLP C/C=C/C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000629674220 361597674 /nfs/dbraw/zinc/59/76/74/361597674.db2.gz YVUQFZDFZQHTEP-ITKZLYELSA-N 2 2 210.365 2.402 20 0 BEADLP C/C=C/C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000629674220 361597676 /nfs/dbraw/zinc/59/76/76/361597676.db2.gz YVUQFZDFZQHTEP-ITKZLYELSA-N 2 2 210.365 2.402 20 0 BEADLP c1cn(Cc2[nH+]ccn2-c2ccccc2)c[nH+]1 ZINC000434646469 201230825 /nfs/dbraw/zinc/23/08/25/201230825.db2.gz QLRHOBUUUAHGOX-UHFFFAOYSA-N 2 2 224.267 2.117 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nccs1 ZINC000153314663 201232287 /nfs/dbraw/zinc/23/22/87/201232287.db2.gz PHZLDYWPIHUJLI-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccs1 ZINC000153314663 201232289 /nfs/dbraw/zinc/23/22/89/201232289.db2.gz PHZLDYWPIHUJLI-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP CC(C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434727090 201237356 /nfs/dbraw/zinc/23/73/56/201237356.db2.gz DHXQTPYLYBYFOX-GJZGRUSLSA-N 2 2 247.386 2.415 20 0 BEADLP CC(C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434727090 201237359 /nfs/dbraw/zinc/23/73/59/201237359.db2.gz DHXQTPYLYBYFOX-GJZGRUSLSA-N 2 2 247.386 2.415 20 0 BEADLP CC(C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434727090 201237361 /nfs/dbraw/zinc/23/73/61/201237361.db2.gz DHXQTPYLYBYFOX-GJZGRUSLSA-N 2 2 247.386 2.415 20 0 BEADLP CC(C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434727090 201237364 /nfs/dbraw/zinc/23/73/64/201237364.db2.gz DHXQTPYLYBYFOX-GJZGRUSLSA-N 2 2 247.386 2.415 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000154509945 201281965 /nfs/dbraw/zinc/28/19/65/201281965.db2.gz HAIGMDIEUMRNPE-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000154509945 201281968 /nfs/dbraw/zinc/28/19/68/201281968.db2.gz HAIGMDIEUMRNPE-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154597260 201285482 /nfs/dbraw/zinc/28/54/82/201285482.db2.gz MYETYJJHPXGWDF-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154597260 201285483 /nfs/dbraw/zinc/28/54/83/201285483.db2.gz MYETYJJHPXGWDF-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000435877840 201292852 /nfs/dbraw/zinc/29/28/52/201292852.db2.gz VOOBCZKTXYIGFB-ZFWWWQNUSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000435877840 201292856 /nfs/dbraw/zinc/29/28/56/201292856.db2.gz VOOBCZKTXYIGFB-ZFWWWQNUSA-N 2 2 248.370 2.058 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC[C@H]3CCOC3)C2)[nH]1 ZINC000437578796 201356583 /nfs/dbraw/zinc/35/65/83/201356583.db2.gz JZWUNXGKUWAPOG-QWHCGFSZSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)[nH]1 ZINC000437578796 201356584 /nfs/dbraw/zinc/35/65/84/201356584.db2.gz JZWUNXGKUWAPOG-QWHCGFSZSA-N 2 2 249.358 2.016 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)CC1CC1)C1CC1 ZINC000155862680 201359504 /nfs/dbraw/zinc/35/95/04/201359504.db2.gz DLBADFNTPULPDC-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)CC1CC1)C1CC1 ZINC000155862680 201359506 /nfs/dbraw/zinc/35/95/06/201359506.db2.gz DLBADFNTPULPDC-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP c1[nH]cc(C2CC[NH+](CC[C@H]3CCOC3)CC2)[nH+]1 ZINC000438115378 201393189 /nfs/dbraw/zinc/39/31/89/201393189.db2.gz KOUPKPVQOXUOLC-LBPRGKRZSA-N 2 2 249.358 2.016 20 0 BEADLP Cc1cc(OCc2c[nH+]cn2C)c(C)c(C)[nH+]1 ZINC000579494202 366832035 /nfs/dbraw/zinc/83/20/35/366832035.db2.gz GSFCXUCBQSISAK-UHFFFAOYSA-N 2 2 231.299 2.319 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000573386527 364821629 /nfs/dbraw/zinc/82/16/29/364821629.db2.gz DVQLUUJHWTZIPX-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC12CC2)C1CC1 ZINC000573386527 364821633 /nfs/dbraw/zinc/82/16/33/364821633.db2.gz DVQLUUJHWTZIPX-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000573931307 364949557 /nfs/dbraw/zinc/94/95/57/364949557.db2.gz QVZMXNDCCRMZBW-LBPRGKRZSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000573931307 364949563 /nfs/dbraw/zinc/94/95/63/364949563.db2.gz QVZMXNDCCRMZBW-LBPRGKRZSA-N 2 2 219.332 2.010 20 0 BEADLP CC1=C[C@H](C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000574050371 364977269 /nfs/dbraw/zinc/97/72/69/364977269.db2.gz GZOSUWJOXREMQQ-LBPRGKRZSA-N 2 2 233.359 2.251 20 0 BEADLP CC1=C[C@H](C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000574050371 364977274 /nfs/dbraw/zinc/97/72/74/364977274.db2.gz GZOSUWJOXREMQQ-LBPRGKRZSA-N 2 2 233.359 2.251 20 0 BEADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H](C)S1 ZINC000574227500 365015150 /nfs/dbraw/zinc/01/51/50/365015150.db2.gz VJAHQFNWLQRMPG-TXEJJXNPSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H](C)S1 ZINC000574227500 365015158 /nfs/dbraw/zinc/01/51/58/365015158.db2.gz VJAHQFNWLQRMPG-TXEJJXNPSA-N 2 2 239.388 2.099 20 0 BEADLP [NH3+]CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000037713184 181383368 /nfs/dbraw/zinc/38/33/68/181383368.db2.gz ZKLNYNFLOKDNJJ-OAHLLOKOSA-N 2 2 241.338 2.109 20 0 BEADLP [NH3+]CC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000062620180 181396682 /nfs/dbraw/zinc/39/66/82/181396682.db2.gz JTCQXQSVXQAXAW-NSHDSACASA-N 2 2 240.734 2.102 20 0 BEADLP c1c2cccnc2oc1C[NH2+]CCC[NH+]1CCC1 ZINC000574651518 365114485 /nfs/dbraw/zinc/11/44/85/365114485.db2.gz QXSGFPZJJYGLDC-UHFFFAOYSA-N 2 2 245.326 2.013 20 0 BEADLP CC[C@H](C)[C@@H]([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000443006725 193010231 /nfs/dbraw/zinc/01/02/31/193010231.db2.gz YCZHDSMOYZOVLW-IVZWLZJFSA-N 2 2 240.351 2.161 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000171416200 365197768 /nfs/dbraw/zinc/19/77/68/365197768.db2.gz KTSQVDOWZXIARH-LBPRGKRZSA-N 2 2 244.342 2.012 20 0 BEADLP CC1(C[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000379876360 365335436 /nfs/dbraw/zinc/33/54/36/365335436.db2.gz AIQKSJMDJXRAHA-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP c1cn(C2CC[NH+](CC3CCC3)CC2)c[nH+]1 ZINC000173369978 365418169 /nfs/dbraw/zinc/41/81/69/365418169.db2.gz MQFXOGWEAYBGEV-UHFFFAOYSA-N 2 2 219.332 2.320 20 0 BEADLP C[C@@H](C1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182620532 366923312 /nfs/dbraw/zinc/92/33/12/366923312.db2.gz LBJAIDZQKUGVGQ-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H](C1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182620532 366923313 /nfs/dbraw/zinc/92/33/13/366923313.db2.gz LBJAIDZQKUGVGQ-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182706611 366933408 /nfs/dbraw/zinc/93/34/08/366933408.db2.gz JXEMVHYCBPYPJY-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182706611 366933415 /nfs/dbraw/zinc/93/34/15/366933415.db2.gz JXEMVHYCBPYPJY-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)[C@H](C)C1 ZINC000579730304 366997174 /nfs/dbraw/zinc/99/71/74/366997174.db2.gz UFQCHTBBSSQCEM-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)C1 ZINC000579730304 366997181 /nfs/dbraw/zinc/99/71/81/366997181.db2.gz UFQCHTBBSSQCEM-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP FC1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000381416194 367398358 /nfs/dbraw/zinc/39/83/58/367398358.db2.gz WDEPNLOAKCVUPK-UHFFFAOYSA-N 2 2 226.339 2.095 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1cccs1 ZINC000381238191 367369156 /nfs/dbraw/zinc/36/91/56/367369156.db2.gz MIUZSRMAWXZJJG-YPMHNXCESA-N 2 2 238.400 2.220 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1cccs1 ZINC000381238191 367369165 /nfs/dbraw/zinc/36/91/65/367369165.db2.gz MIUZSRMAWXZJJG-YPMHNXCESA-N 2 2 238.400 2.220 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000381727367 367451522 /nfs/dbraw/zinc/45/15/22/367451522.db2.gz MWRMXSGJFSKGJN-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000381727367 367451531 /nfs/dbraw/zinc/45/15/31/367451531.db2.gz MWRMXSGJFSKGJN-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP C[NH2+]CCSCc1[nH+]cc(C)c(OC)c1C ZINC000382654295 367550905 /nfs/dbraw/zinc/55/09/05/367550905.db2.gz GVYWYHCVOXWAIN-UHFFFAOYSA-N 2 2 240.372 2.160 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000382991483 367583136 /nfs/dbraw/zinc/58/31/36/367583136.db2.gz ALFSDDXSKSKQRY-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000382991483 367583141 /nfs/dbraw/zinc/58/31/41/367583141.db2.gz ALFSDDXSKSKQRY-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C[NH2+]1 ZINC000399150958 367691697 /nfs/dbraw/zinc/69/16/97/367691697.db2.gz ZDYHQIABOMTLJV-UXIGCNINSA-N 2 2 230.355 2.404 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)C ZINC000384637179 367710187 /nfs/dbraw/zinc/71/01/87/367710187.db2.gz AGCJOQGOQLXZPM-QWRGUYRKSA-N 2 2 200.370 2.351 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399178944 367851622 /nfs/dbraw/zinc/85/16/22/367851622.db2.gz KWMWVVITONMHJL-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)c(COCc2[nH]cc[nH+]2)c(C)[nH+]1 ZINC000631015185 370895447 /nfs/dbraw/zinc/89/54/47/370895447.db2.gz PLUROSIBQMMHJY-UHFFFAOYSA-N 2 2 231.299 2.447 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399228044 367907030 /nfs/dbraw/zinc/90/70/30/367907030.db2.gz OCFBFPYAMKBFKA-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC12CCC2 ZINC000581891856 367881168 /nfs/dbraw/zinc/88/11/68/367881168.db2.gz FHHIZTKZNIWEJE-UHFFFAOYSA-N 2 2 233.359 2.371 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC12CCC2 ZINC000581891856 367881174 /nfs/dbraw/zinc/88/11/74/367881174.db2.gz FHHIZTKZNIWEJE-UHFFFAOYSA-N 2 2 233.359 2.371 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000386008198 367895603 /nfs/dbraw/zinc/89/56/03/367895603.db2.gz MBGMGDGQKOSDRZ-BXUZGUMPSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386555469 367990757 /nfs/dbraw/zinc/99/07/57/367990757.db2.gz HXWRAUCONWZYRQ-BDAKNGLRSA-N 2 2 224.270 2.059 20 0 BEADLP C[C@@H]([NH2+]CCOc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000386556832 367991085 /nfs/dbraw/zinc/99/10/85/367991085.db2.gz ICVGPAVCDVICOV-HIFRSBDPSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000386575445 367994264 /nfs/dbraw/zinc/99/42/64/367994264.db2.gz NBDPTRQLSMOOAX-BXKDBHETSA-N 2 2 239.388 2.072 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3occc32)C[NH2+]1 ZINC000399283574 368066801 /nfs/dbraw/zinc/06/68/01/368066801.db2.gz YHSWKJUWRGSOCD-WZRBSPASSA-N 2 2 234.343 2.387 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000084946400 368860404 /nfs/dbraw/zinc/86/04/04/368860404.db2.gz WOUPTQAMVMHLMM-RNCFNFMXSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000084946400 368860408 /nfs/dbraw/zinc/86/04/08/368860408.db2.gz WOUPTQAMVMHLMM-RNCFNFMXSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)ccc1F ZINC000113522176 368894365 /nfs/dbraw/zinc/89/43/65/368894365.db2.gz WDZOPMSMXXXIFP-CABZTGNLSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)ccc1F ZINC000113522176 368894369 /nfs/dbraw/zinc/89/43/69/368894369.db2.gz WDZOPMSMXXXIFP-CABZTGNLSA-N 2 2 240.297 2.276 20 0 BEADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000623655029 368991225 /nfs/dbraw/zinc/99/12/25/368991225.db2.gz MKFNZGPQZNITON-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccco2)C1 ZINC000623655029 368991227 /nfs/dbraw/zinc/99/12/27/368991227.db2.gz MKFNZGPQZNITON-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP Cc1cc(C)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c(C)[nH+]1 ZINC000631827501 368994248 /nfs/dbraw/zinc/99/42/48/368994248.db2.gz PLTCGBYRSYWGAG-OLZOCXBDSA-N 2 2 247.386 2.189 20 0 BEADLP Cc1cc(C)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)c(C)[nH+]1 ZINC000631827500 368994284 /nfs/dbraw/zinc/99/42/84/368994284.db2.gz PLTCGBYRSYWGAG-CHWSQXEVSA-N 2 2 247.386 2.189 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)C(C)C ZINC000459333199 203258791 /nfs/dbraw/zinc/25/87/91/203258791.db2.gz YRTZAGGMXSFNRY-LBPRGKRZSA-N 2 2 223.364 2.329 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)C(C)C ZINC000459333199 203258795 /nfs/dbraw/zinc/25/87/95/203258795.db2.gz YRTZAGGMXSFNRY-LBPRGKRZSA-N 2 2 223.364 2.329 20 0 BEADLP CC[C@@]1(C)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459354524 203264492 /nfs/dbraw/zinc/26/44/92/203264492.db2.gz LXIZRTONNGETNH-AWEZNQCLSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@@]1(C)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459354524 203264496 /nfs/dbraw/zinc/26/44/96/203264496.db2.gz LXIZRTONNGETNH-AWEZNQCLSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459412229 203277637 /nfs/dbraw/zinc/27/76/37/203277637.db2.gz RFBZBCPCLDVBIF-WCQYABFASA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459412229 203277641 /nfs/dbraw/zinc/27/76/41/203277641.db2.gz RFBZBCPCLDVBIF-WCQYABFASA-N 2 2 221.348 2.083 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC12CCC(CC1)C2 ZINC000459557334 203300524 /nfs/dbraw/zinc/30/05/24/203300524.db2.gz JVMSZCKQVTZKHP-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP COCC1(C)C[NH+](CCCc2c[nH+]ccc2C)C1 ZINC000459626054 203320490 /nfs/dbraw/zinc/32/04/90/203320490.db2.gz YCRKUNIWSPNLMG-UHFFFAOYSA-N 2 2 248.370 2.291 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000459656596 203331462 /nfs/dbraw/zinc/33/14/62/203331462.db2.gz LIJJHQVTMGDTDS-MXYBEHONSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000459656596 203331463 /nfs/dbraw/zinc/33/14/63/203331463.db2.gz LIJJHQVTMGDTDS-MXYBEHONSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657682 203331704 /nfs/dbraw/zinc/33/17/04/203331704.db2.gz OJDPGFYBGXPEIJ-FATJJJSSSA-N 2 2 248.345 2.221 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657682 203331708 /nfs/dbraw/zinc/33/17/08/203331708.db2.gz OJDPGFYBGXPEIJ-FATJJJSSSA-N 2 2 248.345 2.221 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000459664001 203333248 /nfs/dbraw/zinc/33/32/48/203333248.db2.gz PJJNQMADEFKNIJ-LBPRGKRZSA-N 2 2 244.342 2.017 20 0 BEADLP Cc1cc(NCc2[nH]cc[nH+]2)ccc1C[NH+](C)C ZINC000459733584 203345511 /nfs/dbraw/zinc/34/55/11/203345511.db2.gz AXQOJTRFLBKYCW-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP CC1CC(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000621383445 370327179 /nfs/dbraw/zinc/32/71/79/370327179.db2.gz HHCHMQOHENHJKF-UHFFFAOYSA-N 2 2 229.327 2.470 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621784287 370536180 /nfs/dbraw/zinc/53/61/80/370536180.db2.gz MKOUULPPMNFSRQ-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621784287 370536188 /nfs/dbraw/zinc/53/61/88/370536188.db2.gz MKOUULPPMNFSRQ-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1ccsc1Cl ZINC000312571888 370543781 /nfs/dbraw/zinc/54/37/81/370543781.db2.gz KIHJAUDZJYDKSO-UHFFFAOYSA-N 2 2 218.753 2.182 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1ccsc1Cl ZINC000312571888 370543784 /nfs/dbraw/zinc/54/37/84/370543784.db2.gz KIHJAUDZJYDKSO-UHFFFAOYSA-N 2 2 218.753 2.182 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000092564096 371105132 /nfs/dbraw/zinc/10/51/32/371105132.db2.gz USDJIZPDOVUEFL-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000092564096 371105135 /nfs/dbraw/zinc/10/51/35/371105135.db2.gz USDJIZPDOVUEFL-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CCCCO1 ZINC000623858129 371129206 /nfs/dbraw/zinc/12/92/06/371129206.db2.gz CWIVJURJIHXACP-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CCCCO1 ZINC000623858130 371129337 /nfs/dbraw/zinc/12/93/37/371129337.db2.gz CWIVJURJIHXACP-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189498 371378398 /nfs/dbraw/zinc/37/83/98/371378398.db2.gz OPQGLNDOSYRONE-DGCLKSJQSA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189498 371378404 /nfs/dbraw/zinc/37/84/04/371378404.db2.gz OPQGLNDOSYRONE-DGCLKSJQSA-N 2 2 240.416 2.098 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]CC(C)(C)C)C1 ZINC000163792880 372055732 /nfs/dbraw/zinc/05/57/32/372055732.db2.gz MCDUZCRBWVSAIE-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]CC(C)(C)C)C1 ZINC000163792880 372055738 /nfs/dbraw/zinc/05/57/38/372055738.db2.gz MCDUZCRBWVSAIE-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1C ZINC000631755020 372558265 /nfs/dbraw/zinc/55/82/65/372558265.db2.gz WNCYZXNHPJNQRY-UTINFBMNSA-N 2 2 236.281 2.010 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000631755020 372558274 /nfs/dbraw/zinc/55/82/74/372558274.db2.gz WNCYZXNHPJNQRY-UTINFBMNSA-N 2 2 236.281 2.010 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755097 372558610 /nfs/dbraw/zinc/55/86/10/372558610.db2.gz YGOFLRYMHBYRAS-AYHFEMFVSA-N 2 2 248.292 2.010 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631755097 372558617 /nfs/dbraw/zinc/55/86/17/372558617.db2.gz YGOFLRYMHBYRAS-AYHFEMFVSA-N 2 2 248.292 2.010 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000631821926 372597522 /nfs/dbraw/zinc/59/75/22/372597522.db2.gz NNOYOSRYILJJKI-UHFFFAOYSA-N 2 2 247.386 2.191 20 0 BEADLP C[N@H+](C[C@@H]1CCC(F)(F)C1)CC(C)(C)[NH3+] ZINC000631829384 372610615 /nfs/dbraw/zinc/61/06/15/372610615.db2.gz PELDOXCMRXNBRU-SECBINFHSA-N 2 2 220.307 2.091 20 0 BEADLP C[N@@H+](C[C@@H]1CCC(F)(F)C1)CC(C)(C)[NH3+] ZINC000631829384 372610621 /nfs/dbraw/zinc/61/06/21/372610621.db2.gz PELDOXCMRXNBRU-SECBINFHSA-N 2 2 220.307 2.091 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](CC2CC=CC2)C1 ZINC000631835347 372623216 /nfs/dbraw/zinc/62/32/16/372623216.db2.gz SFIBKWRPDVEUGX-CYBMUJFWSA-N 2 2 208.349 2.156 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](CC2CC=CC2)C1 ZINC000631835347 372623223 /nfs/dbraw/zinc/62/32/23/372623223.db2.gz SFIBKWRPDVEUGX-CYBMUJFWSA-N 2 2 208.349 2.156 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835183 372623578 /nfs/dbraw/zinc/62/35/78/372623578.db2.gz OCCDVKQHEHOFGA-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccncc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835183 372623580 /nfs/dbraw/zinc/62/35/80/372623580.db2.gz OCCDVKQHEHOFGA-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c(C)s1 ZINC000631860113 372660458 /nfs/dbraw/zinc/66/04/58/372660458.db2.gz USRGENZLEDGEOF-PRHODGIISA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c(C)s1 ZINC000631860113 372660463 /nfs/dbraw/zinc/66/04/63/372660463.db2.gz USRGENZLEDGEOF-PRHODGIISA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631858256 372656452 /nfs/dbraw/zinc/65/64/52/372656452.db2.gz VIKUTJXVYXHZNG-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631858256 372656458 /nfs/dbraw/zinc/65/64/58/372656458.db2.gz VIKUTJXVYXHZNG-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)c(CN2CC[NH2+][C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000631824903 372604121 /nfs/dbraw/zinc/60/41/21/372604121.db2.gz UCIAFFCTAKOZCW-GXTWGEPZSA-N 2 2 247.386 2.189 20 0 BEADLP COc1ccccc1CCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862604 372664964 /nfs/dbraw/zinc/66/49/64/372664964.db2.gz ROMRXHLSCYZXAP-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1CCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631862604 372664968 /nfs/dbraw/zinc/66/49/68/372664968.db2.gz ROMRXHLSCYZXAP-OCCSQVGLSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000631862533 372665316 /nfs/dbraw/zinc/66/53/16/372665316.db2.gz QVVXZFNZBXVKRU-JQWIXIFHSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000631862533 372665320 /nfs/dbraw/zinc/66/53/20/372665320.db2.gz QVVXZFNZBXVKRU-JQWIXIFHSA-N 2 2 222.307 2.056 20 0 BEADLP CC(C)c1nc(NCC[NH2+]C(C)(C)C)cc[nH+]1 ZINC000171917827 372819418 /nfs/dbraw/zinc/81/94/18/372819418.db2.gz KAHUINYZPDTZFU-UHFFFAOYSA-N 2 2 236.363 2.400 20 0 BEADLP CC[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000069028275 373108440 /nfs/dbraw/zinc/10/84/40/373108440.db2.gz XBZGLHVZGNAYMF-UHFFFAOYSA-N 2 2 215.300 2.197 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923869 206045991 /nfs/dbraw/zinc/04/59/91/206045991.db2.gz LZKBICGZEYGMAO-BXKDBHETSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923869 206045994 /nfs/dbraw/zinc/04/59/94/206045994.db2.gz LZKBICGZEYGMAO-BXKDBHETSA-N 2 2 244.329 2.104 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459467541 206127863 /nfs/dbraw/zinc/12/78/63/206127863.db2.gz KOHNBKQZCNMTBD-VXGBXAGGSA-N 2 2 221.348 2.226 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459467541 206127867 /nfs/dbraw/zinc/12/78/67/206127867.db2.gz KOHNBKQZCNMTBD-VXGBXAGGSA-N 2 2 221.348 2.226 20 0 BEADLP COCCC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000178681276 134312891 /nfs/dbraw/zinc/31/28/91/134312891.db2.gz FBARFKMJNCKNTR-KBPBESRZSA-N 2 2 244.423 2.367 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000360044660 169004541 /nfs/dbraw/zinc/00/45/41/169004541.db2.gz GXJKXCBDHCRSHD-QWHCGFSZSA-N 2 2 239.363 2.066 20 0 BEADLP CCCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000308950183 169013895 /nfs/dbraw/zinc/01/38/95/169013895.db2.gz OVCVELWMLOOHPR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCC[NH+](CCC)CCc1c[nH+]cn1C ZINC000290148593 169146807 /nfs/dbraw/zinc/14/68/07/169146807.db2.gz WJCZETFBCMDTSJ-UHFFFAOYSA-N 2 2 209.337 2.085 20 0 BEADLP CCC[N@H+](CCn1cc[nH+]c1C)CC(F)F ZINC000336674073 169171714 /nfs/dbraw/zinc/17/17/14/169171714.db2.gz LGGQHADVHKZNHA-UHFFFAOYSA-N 2 2 231.290 2.169 20 0 BEADLP CCC[N@@H+](CCn1cc[nH+]c1C)CC(F)F ZINC000336674073 169171715 /nfs/dbraw/zinc/17/17/15/169171715.db2.gz LGGQHADVHKZNHA-UHFFFAOYSA-N 2 2 231.290 2.169 20 0 BEADLP CCCN(CC[NH+]1CCCC1)c1cc[nH+]c(C)n1 ZINC000286183215 169159158 /nfs/dbraw/zinc/15/91/58/169159158.db2.gz AQZZZSAHWDRHFJ-UHFFFAOYSA-N 2 2 248.374 2.097 20 0 BEADLP c1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269708834 183326599 /nfs/dbraw/zinc/32/65/99/183326599.db2.gz OKZNCYNWSDQZBA-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP c1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269708834 183326601 /nfs/dbraw/zinc/32/66/01/183326601.db2.gz OKZNCYNWSDQZBA-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP c1c[nH]c([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000162799978 183329150 /nfs/dbraw/zinc/32/91/50/183329150.db2.gz SFBAEIQPRLBJOI-CYBMUJFWSA-N 2 2 230.315 2.048 20 0 BEADLP c1c[nH]c([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000162799978 183329152 /nfs/dbraw/zinc/32/91/52/183329152.db2.gz SFBAEIQPRLBJOI-CYBMUJFWSA-N 2 2 230.315 2.048 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000336781694 169196024 /nfs/dbraw/zinc/19/60/24/169196024.db2.gz VHTCTJINNNVAIB-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000336781694 169196025 /nfs/dbraw/zinc/19/60/25/169196025.db2.gz VHTCTJINNNVAIB-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]1 ZINC000269676539 183342923 /nfs/dbraw/zinc/34/29/23/183342923.db2.gz YWVIKUFZUBUSEW-CYBMUJFWSA-N 2 2 242.326 2.184 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]1 ZINC000269676539 183342927 /nfs/dbraw/zinc/34/29/27/183342927.db2.gz YWVIKUFZUBUSEW-CYBMUJFWSA-N 2 2 242.326 2.184 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H]2c2ccncc2)c[nH+]1 ZINC000162743812 183363967 /nfs/dbraw/zinc/36/39/67/183363967.db2.gz UOMUITMOOGSPPO-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H]2c2ccncc2)c[nH+]1 ZINC000162743812 183363970 /nfs/dbraw/zinc/36/39/70/183363970.db2.gz UOMUITMOOGSPPO-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)c(F)c1 ZINC000161342092 169259110 /nfs/dbraw/zinc/25/91/10/169259110.db2.gz YPPYCQGJSQJONC-UHFFFAOYSA-N 2 2 224.323 2.223 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000044651751 169260542 /nfs/dbraw/zinc/26/05/42/169260542.db2.gz MFARRIPKYWETRF-SECBINFHSA-N 2 2 241.404 2.410 20 0 BEADLP c1cc2cc(O[C@H]3CCC[NH2+]C3)ccc2c[nH+]1 ZINC000066080191 183374100 /nfs/dbraw/zinc/37/41/00/183374100.db2.gz NVJUVAVYDGABBK-AWEZNQCLSA-N 2 2 228.295 2.366 20 0 BEADLP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000049712250 169291615 /nfs/dbraw/zinc/29/16/15/169291615.db2.gz JKOXTBRIWSNACO-ZFWWWQNUSA-N 2 2 247.386 2.292 20 0 BEADLP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000049712250 169291616 /nfs/dbraw/zinc/29/16/16/169291616.db2.gz JKOXTBRIWSNACO-ZFWWWQNUSA-N 2 2 247.386 2.292 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000131395067 169325343 /nfs/dbraw/zinc/32/53/43/169325343.db2.gz YZXIDPRNZKJWHL-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000131395067 169325345 /nfs/dbraw/zinc/32/53/45/169325345.db2.gz YZXIDPRNZKJWHL-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000337993795 183467947 /nfs/dbraw/zinc/46/79/47/183467947.db2.gz TXMHMBHGCQFRBH-KGLIPLIRSA-N 2 2 233.359 2.442 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000308921677 169371839 /nfs/dbraw/zinc/37/18/39/169371839.db2.gz HGBARCXBIWRZSA-ZJUUUORDSA-N 2 2 207.321 2.045 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000308921677 169371840 /nfs/dbraw/zinc/37/18/40/169371840.db2.gz HGBARCXBIWRZSA-ZJUUUORDSA-N 2 2 207.321 2.045 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000224593831 169380160 /nfs/dbraw/zinc/38/01/60/169380160.db2.gz YIGLXOFCHRWTIB-VXGBXAGGSA-N 2 2 209.337 2.440 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309998802 169380770 /nfs/dbraw/zinc/38/07/70/169380770.db2.gz DDTAIMBKWHYDIY-MNOVXSKESA-N 2 2 221.348 2.435 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309998802 169380771 /nfs/dbraw/zinc/38/07/71/169380771.db2.gz DDTAIMBKWHYDIY-MNOVXSKESA-N 2 2 221.348 2.435 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000222060431 134329457 /nfs/dbraw/zinc/32/94/57/134329457.db2.gz PERBTEJGTXYEST-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000222060431 134329458 /nfs/dbraw/zinc/32/94/58/134329458.db2.gz PERBTEJGTXYEST-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CCO[C@@H]1C[C@@H]([NH2+]CC[NH+](CC)CC)C1(C)C ZINC000085379341 134344157 /nfs/dbraw/zinc/34/41/57/134344157.db2.gz ZOBVDCQSAVHTHK-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)no1 ZINC000111244012 383842158 /nfs/dbraw/zinc/84/21/58/383842158.db2.gz TUDKIHGFTFTCAV-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1CC1(C)C)C1CC1 ZINC000309440451 383957354 /nfs/dbraw/zinc/95/73/54/383957354.db2.gz IIPKEQJIWCCEPD-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1CC1(C)C)C1CC1 ZINC000309440451 383957361 /nfs/dbraw/zinc/95/73/61/383957361.db2.gz IIPKEQJIWCCEPD-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000293863170 383976480 /nfs/dbraw/zinc/97/64/80/383976480.db2.gz XVXLBEHHBLOBKC-JHJVBQTASA-N 2 2 236.359 2.406 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000293863170 383976485 /nfs/dbraw/zinc/97/64/85/383976485.db2.gz XVXLBEHHBLOBKC-JHJVBQTASA-N 2 2 236.359 2.406 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000643545209 384012255 /nfs/dbraw/zinc/01/22/55/384012255.db2.gz NOEKRTSYFXDWBV-KOLCDFICSA-N 2 2 239.388 2.244 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nccs1 ZINC000309454589 384087247 /nfs/dbraw/zinc/08/72/47/384087247.db2.gz NKFJKMURCJMSTG-QWRGUYRKSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nccs1 ZINC000309454589 384087253 /nfs/dbraw/zinc/08/72/53/384087253.db2.gz NKFJKMURCJMSTG-QWRGUYRKSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000163178501 384070673 /nfs/dbraw/zinc/07/06/73/384070673.db2.gz QQKRNXZNTYMRFW-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000163178501 384070679 /nfs/dbraw/zinc/07/06/79/384070679.db2.gz QQKRNXZNTYMRFW-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP COC[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449383332 384111346 /nfs/dbraw/zinc/11/13/46/384111346.db2.gz GOECIBGEJPQFGJ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000132121463 384112178 /nfs/dbraw/zinc/11/21/78/384112178.db2.gz RYZSRBUZGZJLGB-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000041064001 384175287 /nfs/dbraw/zinc/17/52/87/384175287.db2.gz OIYQSLWQTBLTQX-WCQYABFASA-N 2 2 245.326 2.389 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000041045535 384175661 /nfs/dbraw/zinc/17/56/61/384175661.db2.gz MEGWICBPJWEYOD-AWEZNQCLSA-N 2 2 218.344 2.289 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)o1 ZINC000313254192 384165620 /nfs/dbraw/zinc/16/56/20/384165620.db2.gz PAWNLFGJLDXVTJ-LLVKDONJSA-N 2 2 233.315 2.215 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000163213774 384177913 /nfs/dbraw/zinc/17/79/13/384177913.db2.gz FGNUTDODWHLUQN-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000163213774 384177918 /nfs/dbraw/zinc/17/79/18/384177918.db2.gz FGNUTDODWHLUQN-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP Cn1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648574 384188737 /nfs/dbraw/zinc/18/87/37/384188737.db2.gz KXRWSOQWEBUVDD-UHFFFAOYSA-N 2 2 244.342 2.059 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000133294897 384238948 /nfs/dbraw/zinc/23/89/48/384238948.db2.gz AMTGXEOZHNHFGG-NSHDSACASA-N 2 2 209.337 2.297 20 0 BEADLP Cc1cccc(C[NH2+]CCc2cn(C)c[nH+]2)c1F ZINC000313305762 384246555 /nfs/dbraw/zinc/24/65/55/384246555.db2.gz RZYPNYUGTUEDSE-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)s1 ZINC000163685158 384247983 /nfs/dbraw/zinc/24/79/83/384247983.db2.gz QMKBEWGYMPKIMB-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)s1 ZINC000163685158 384247984 /nfs/dbraw/zinc/24/79/84/384247984.db2.gz QMKBEWGYMPKIMB-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP c1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000082369464 384255887 /nfs/dbraw/zinc/25/58/87/384255887.db2.gz RZOUQGOZESDBOJ-AWEZNQCLSA-N 2 2 216.328 2.015 20 0 BEADLP c1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000082369464 384255890 /nfs/dbraw/zinc/25/58/90/384255890.db2.gz RZOUQGOZESDBOJ-AWEZNQCLSA-N 2 2 216.328 2.015 20 0 BEADLP c1[nH]c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000093690101 384261431 /nfs/dbraw/zinc/26/14/31/384261431.db2.gz DQRXUHPVISTNMG-NWDGAFQWSA-N 2 2 237.372 2.270 20 0 BEADLP c1[nH]c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000093690101 384261435 /nfs/dbraw/zinc/26/14/35/384261435.db2.gz DQRXUHPVISTNMG-NWDGAFQWSA-N 2 2 237.372 2.270 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324973 384270684 /nfs/dbraw/zinc/27/06/84/384270684.db2.gz XDASWPIDMKGUAP-VHSXEESVSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000082830386 384270928 /nfs/dbraw/zinc/27/09/28/384270928.db2.gz CTYPADWWCIACKS-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC000094665924 384310007 /nfs/dbraw/zinc/31/00/07/384310007.db2.gz QMUMBJXIIRCXGU-VXGBXAGGSA-N 2 2 247.342 2.012 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]CCc1ccccc1F ZINC000228727863 384317300 /nfs/dbraw/zinc/31/73/00/384317300.db2.gz YYCWWWQZHUMMKZ-UHFFFAOYSA-N 2 2 238.350 2.346 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000133921139 384318322 /nfs/dbraw/zinc/31/83/22/384318322.db2.gz VVQLBRXBQRZKGU-GHMZBOCLSA-N 2 2 248.305 2.157 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166889746 384346727 /nfs/dbraw/zinc/34/67/27/384346727.db2.gz FSEAPMJZVPWKTA-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166889746 384346729 /nfs/dbraw/zinc/34/67/29/384346729.db2.gz FSEAPMJZVPWKTA-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000120424841 384353479 /nfs/dbraw/zinc/35/34/79/384353479.db2.gz ABYXHOOUPCDMAH-LBPRGKRZSA-N 2 2 209.337 2.250 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000120424841 384353481 /nfs/dbraw/zinc/35/34/81/384353481.db2.gz ABYXHOOUPCDMAH-LBPRGKRZSA-N 2 2 209.337 2.250 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000228793885 384329824 /nfs/dbraw/zinc/32/98/24/384329824.db2.gz MUHIFQFAJRDSKP-ZLDLUXBVSA-N 2 2 230.355 2.119 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000335641548 384416524 /nfs/dbraw/zinc/41/65/24/384416524.db2.gz AYKJBPIMNAIPKB-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000304602247 384418238 /nfs/dbraw/zinc/41/82/38/384418238.db2.gz QPPSUWITYQQHFY-YUTCNCBUSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000304602247 384418244 /nfs/dbraw/zinc/41/82/44/384418244.db2.gz QPPSUWITYQQHFY-YUTCNCBUSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000335643238 384418333 /nfs/dbraw/zinc/41/83/33/384418333.db2.gz NIYJPAYILDXWMX-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccncc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000135449558 384446782 /nfs/dbraw/zinc/44/67/82/384446782.db2.gz FXLSKTBMIBLVNN-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000135597158 384454598 /nfs/dbraw/zinc/45/45/98/384454598.db2.gz KEYDGULHBRNXJH-NSHDSACASA-N 2 2 231.343 2.208 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cscn1 ZINC000161145987 384466202 /nfs/dbraw/zinc/46/62/02/384466202.db2.gz AIMMPLCPHOVQRN-LLVKDONJSA-N 2 2 239.388 2.280 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647175014 384468709 /nfs/dbraw/zinc/46/87/09/384468709.db2.gz UHLIOKFSNFHZJJ-NSHDSACASA-N 2 2 232.318 2.248 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647175014 384468715 /nfs/dbraw/zinc/46/87/15/384468715.db2.gz UHLIOKFSNFHZJJ-NSHDSACASA-N 2 2 232.318 2.248 20 0 BEADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccn1 ZINC000158477389 384477681 /nfs/dbraw/zinc/47/76/81/384477681.db2.gz PSGYBBJDJWGTOZ-ZDUSSCGKSA-N 2 2 244.342 2.409 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000149368563 384479590 /nfs/dbraw/zinc/47/95/90/384479590.db2.gz UCBZYFKJFXOLLF-HNNXBMFYSA-N 2 2 248.345 2.498 20 0 BEADLP Cn1c2ccccc2[nH+]c1NCC[N@H+](C)C1CC1 ZINC000079047004 384482280 /nfs/dbraw/zinc/48/22/80/384482280.db2.gz GGMUMJFDQCHVAB-UHFFFAOYSA-N 2 2 244.342 2.079 20 0 BEADLP Cn1c2ccccc2[nH+]c1NCC[N@@H+](C)C1CC1 ZINC000079047004 384482287 /nfs/dbraw/zinc/48/22/87/384482287.db2.gz GGMUMJFDQCHVAB-UHFFFAOYSA-N 2 2 244.342 2.079 20 0 BEADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000565593378 384483651 /nfs/dbraw/zinc/48/36/51/384483651.db2.gz SVJZVHNOEXATNY-XWUBHJNHSA-N 2 2 248.370 2.491 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000263845683 384500385 /nfs/dbraw/zinc/50/03/85/384500385.db2.gz KCVNULWSHBFLEB-ZWNOBZJWSA-N 2 2 245.326 2.426 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1(C)CC1 ZINC000037468595 384501556 /nfs/dbraw/zinc/50/15/56/384501556.db2.gz CMURFHVCZVPXIE-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000037184086 384487093 /nfs/dbraw/zinc/48/70/93/384487093.db2.gz MOCBBFLKAOGLDM-GFCCVEGCSA-N 2 2 206.333 2.207 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000097050796 384492441 /nfs/dbraw/zinc/49/24/41/384492441.db2.gz JCWCSKATCIVJMM-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000019519154 384527631 /nfs/dbraw/zinc/52/76/31/384527631.db2.gz BMXGIAVSGWNRJA-CQSZACIVSA-N 2 2 218.344 2.215 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)C1 ZINC000449558377 384531439 /nfs/dbraw/zinc/53/14/39/384531439.db2.gz XHELHFQEAFUAFX-XDQVBPFNSA-N 2 2 224.392 2.208 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)C1 ZINC000449558377 384531444 /nfs/dbraw/zinc/53/14/44/384531444.db2.gz XHELHFQEAFUAFX-XDQVBPFNSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCC3)CCC[N@@H+]1C ZINC000309734823 384572495 /nfs/dbraw/zinc/57/24/95/384572495.db2.gz CAXBOHYDFRGVCP-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCC3)CCC[N@H+]1C ZINC000309734823 384572502 /nfs/dbraw/zinc/57/25/02/384572502.db2.gz CAXBOHYDFRGVCP-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCC3)CCC[N@@H+]1C ZINC000309734820 384573339 /nfs/dbraw/zinc/57/33/39/384573339.db2.gz CAXBOHYDFRGVCP-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCC3)CCC[N@H+]1C ZINC000309734820 384573344 /nfs/dbraw/zinc/57/33/44/384573344.db2.gz CAXBOHYDFRGVCP-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066949 384578174 /nfs/dbraw/zinc/57/81/74/384578174.db2.gz VWJIKJZSBMJYAQ-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066949 384578183 /nfs/dbraw/zinc/57/81/83/384578183.db2.gz VWJIKJZSBMJYAQ-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068807 384584254 /nfs/dbraw/zinc/58/42/54/384584254.db2.gz LMSALGDCYCXNDJ-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068807 384584259 /nfs/dbraw/zinc/58/42/59/384584259.db2.gz LMSALGDCYCXNDJ-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP C[C@H]([N@@H+](C)CCn1cc[nH+]c1)C1(C)CC1 ZINC000162225256 384591149 /nfs/dbraw/zinc/59/11/49/384591149.db2.gz UZJPHOOEZVDTGR-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]([N@H+](C)CCn1cc[nH+]c1)C1(C)CC1 ZINC000162225256 384591143 /nfs/dbraw/zinc/59/11/43/384591143.db2.gz UZJPHOOEZVDTGR-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000309791596 384612038 /nfs/dbraw/zinc/61/20/38/384612038.db2.gz PHMYDHHNZCMJDM-JSGCOSHPSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000309791596 384612042 /nfs/dbraw/zinc/61/20/42/384612042.db2.gz PHMYDHHNZCMJDM-JSGCOSHPSA-N 2 2 218.344 2.035 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccnc1 ZINC000020506279 384620069 /nfs/dbraw/zinc/62/00/69/384620069.db2.gz CTNGIGHEMRYTBJ-LBPRGKRZSA-N 2 2 230.315 2.019 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000020506213 384620559 /nfs/dbraw/zinc/62/05/59/384620559.db2.gz RMADKNLPOKSRSZ-LBPRGKRZSA-N 2 2 245.326 2.330 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC(F)(F)F)n1C ZINC000569622414 384625402 /nfs/dbraw/zinc/62/54/02/384625402.db2.gz IHWVHXVJZJHXLF-ZETCQYMHSA-N 2 2 235.253 2.159 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643069777 384591818 /nfs/dbraw/zinc/59/18/18/384591818.db2.gz XTZKMUJFVDUAIO-ZFWWWQNUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643069777 384591822 /nfs/dbraw/zinc/59/18/22/384591822.db2.gz XTZKMUJFVDUAIO-ZFWWWQNUSA-N 2 2 230.355 2.179 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403175772 384596520 /nfs/dbraw/zinc/59/65/20/384596520.db2.gz DXQBDRPNFFPWDR-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403175772 384596529 /nfs/dbraw/zinc/59/65/29/384596529.db2.gz DXQBDRPNFFPWDR-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356829746 384663475 /nfs/dbraw/zinc/66/34/75/384663475.db2.gz ALRUMBZUQLGPPT-HIFRSBDPSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356276 384643360 /nfs/dbraw/zinc/64/33/60/384643360.db2.gz JNJGSCRZMMQOKK-HVNMYJMUSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356276 384643367 /nfs/dbraw/zinc/64/33/67/384643367.db2.gz JNJGSCRZMMQOKK-HVNMYJMUSA-N 2 2 234.387 2.247 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403389829 384647925 /nfs/dbraw/zinc/64/79/25/384647925.db2.gz RVJXZICSOQVQNH-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403389829 384647932 /nfs/dbraw/zinc/64/79/32/384647932.db2.gz RVJXZICSOQVQNH-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP COc1cccc2c1CCC[C@H]2[NH2+]CC[NH+](C)C ZINC000554370671 384649491 /nfs/dbraw/zinc/64/94/91/384649491.db2.gz YAKLSSBTMUPFJP-CQSZACIVSA-N 2 2 248.370 2.224 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356829749 384655389 /nfs/dbraw/zinc/65/53/89/384655389.db2.gz ALRUMBZUQLGPPT-ZFWWWQNUSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000082293971 384662649 /nfs/dbraw/zinc/66/26/49/384662649.db2.gz HCUWQUIHNHBFMP-JSGCOSHPSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000082293971 384662654 /nfs/dbraw/zinc/66/26/54/384662654.db2.gz HCUWQUIHNHBFMP-JSGCOSHPSA-N 2 2 218.344 2.431 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000125500051 384723852 /nfs/dbraw/zinc/72/38/52/384723852.db2.gz KCRQOOKMILOECO-LBPRGKRZSA-N 2 2 236.359 2.226 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000125500051 384723857 /nfs/dbraw/zinc/72/38/57/384723857.db2.gz KCRQOOKMILOECO-LBPRGKRZSA-N 2 2 236.359 2.226 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000309867597 384679583 /nfs/dbraw/zinc/67/95/83/384679583.db2.gz PDSGMFJTQMPVSP-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000309867597 384679587 /nfs/dbraw/zinc/67/95/87/384679587.db2.gz PDSGMFJTQMPVSP-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCSC1 ZINC000309978708 384681680 /nfs/dbraw/zinc/68/16/80/384681680.db2.gz VCJJUOPJEOBHRY-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCSC1 ZINC000309978708 384681686 /nfs/dbraw/zinc/68/16/86/384681686.db2.gz VCJJUOPJEOBHRY-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP c1ccc(N2CCC([NH2+][C@@H]3CC34CC4)CC2)[nH+]c1 ZINC000335276044 384707256 /nfs/dbraw/zinc/70/72/56/384707256.db2.gz DIXYAJUKGTZMCD-CYBMUJFWSA-N 2 2 243.354 2.193 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000568274950 384744237 /nfs/dbraw/zinc/74/42/37/384744237.db2.gz INXDISANLULUEP-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000568274950 384744242 /nfs/dbraw/zinc/74/42/42/384744242.db2.gz INXDISANLULUEP-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000083356056 384761430 /nfs/dbraw/zinc/76/14/30/384761430.db2.gz QSNWVHNTFISTCL-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000084946796 384769878 /nfs/dbraw/zinc/76/98/78/384769878.db2.gz AORKXTPXHKKJDW-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000084946796 384769884 /nfs/dbraw/zinc/76/98/84/384769884.db2.gz AORKXTPXHKKJDW-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622003903 384786189 /nfs/dbraw/zinc/78/61/89/384786189.db2.gz HGMBMOHAZDEEIO-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622003903 384786196 /nfs/dbraw/zinc/78/61/96/384786196.db2.gz HGMBMOHAZDEEIO-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP CCC1CC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000310023777 384788929 /nfs/dbraw/zinc/78/89/29/384788929.db2.gz OLHJBMQJQDOVPN-WTIISPKJSA-N 2 2 222.376 2.390 20 0 BEADLP CCC1CC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000310023777 384788936 /nfs/dbraw/zinc/78/89/36/384788936.db2.gz OLHJBMQJQDOVPN-WTIISPKJSA-N 2 2 222.376 2.390 20 0 BEADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000163628896 384836506 /nfs/dbraw/zinc/83/65/06/384836506.db2.gz QBAYQUJDEADWEM-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000163628896 384836510 /nfs/dbraw/zinc/83/65/10/384836510.db2.gz QBAYQUJDEADWEM-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP CC[N@H+](Cc1cccs1)CC(C)(C)[NH3+] ZINC000042488291 384807817 /nfs/dbraw/zinc/80/78/17/384807817.db2.gz XVSOBYLPHVXXOE-UHFFFAOYSA-N 2 2 212.362 2.307 20 0 BEADLP CC[N@@H+](Cc1cccs1)CC(C)(C)[NH3+] ZINC000042488291 384807820 /nfs/dbraw/zinc/80/78/20/384807820.db2.gz XVSOBYLPHVXXOE-UHFFFAOYSA-N 2 2 212.362 2.307 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423393083 384852472 /nfs/dbraw/zinc/85/24/72/384852472.db2.gz YFLOSNHRLBMBQF-QMTHXVAHSA-N 2 2 236.334 2.401 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403668390 384853214 /nfs/dbraw/zinc/85/32/14/384853214.db2.gz NDVVJIDOCIPUBO-MCIONIFRSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000403668390 384853221 /nfs/dbraw/zinc/85/32/21/384853221.db2.gz NDVVJIDOCIPUBO-MCIONIFRSA-N 2 2 236.403 2.497 20 0 BEADLP COC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000156634503 384911861 /nfs/dbraw/zinc/91/18/61/384911861.db2.gz JYRGQOPVLOLYOH-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000156634503 384911871 /nfs/dbraw/zinc/91/18/71/384911871.db2.gz JYRGQOPVLOLYOH-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])c[nH+]1 ZINC000164558441 384925000 /nfs/dbraw/zinc/92/50/00/384925000.db2.gz LUICUAHFYLVLOS-AAEUAGOBSA-N 2 2 219.332 2.319 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000150043793 384959669 /nfs/dbraw/zinc/95/96/69/384959669.db2.gz XSMOYUVWKVUOCH-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000150043793 384959676 /nfs/dbraw/zinc/95/96/76/384959676.db2.gz XSMOYUVWKVUOCH-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000258883230 384942570 /nfs/dbraw/zinc/94/25/70/384942570.db2.gz KOFGBGSOYMTYEF-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358325539 384970797 /nfs/dbraw/zinc/97/07/97/384970797.db2.gz FFAITCFLAZXGEJ-SWLSCSKDSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358325539 384970809 /nfs/dbraw/zinc/97/08/09/384970809.db2.gz FFAITCFLAZXGEJ-SWLSCSKDSA-N 2 2 248.370 2.043 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000129041760 384974113 /nfs/dbraw/zinc/97/41/13/384974113.db2.gz RRZJYIQEVQJWSM-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CC[C@H](CSC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336762001 384995955 /nfs/dbraw/zinc/99/59/55/384995955.db2.gz NIPZYGBEDSQWKQ-QJPTWQEYSA-N 2 2 230.421 2.058 20 0 BEADLP CC[C@H](CSC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336762001 384995959 /nfs/dbraw/zinc/99/59/59/384995959.db2.gz NIPZYGBEDSQWKQ-QJPTWQEYSA-N 2 2 230.421 2.058 20 0 BEADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CC1(C)C ZINC000397617011 385068368 /nfs/dbraw/zinc/06/83/68/385068368.db2.gz CTOIFJDLKFIHDY-OLZOCXBDSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cncc(F)c1 ZINC000151147609 385090224 /nfs/dbraw/zinc/09/02/24/385090224.db2.gz PWEGSRZHENQJKK-LLVKDONJSA-N 2 2 248.305 2.158 20 0 BEADLP c1cn(C2CC[NH+](Cc3cccnc3)CC2)c[nH+]1 ZINC000109794284 385191055 /nfs/dbraw/zinc/19/10/55/385191055.db2.gz FPZMHHGUZSZIDM-UHFFFAOYSA-N 2 2 242.326 2.115 20 0 BEADLP Cc1cncc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000189898210 385195665 /nfs/dbraw/zinc/19/56/65/385195665.db2.gz JCMRABCHRDPHHH-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cncc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000189898210 385195670 /nfs/dbraw/zinc/19/56/70/385195670.db2.gz JCMRABCHRDPHHH-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cncc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000189898210 385195674 /nfs/dbraw/zinc/19/56/74/385195674.db2.gz JCMRABCHRDPHHH-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cncc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000189898210 385195678 /nfs/dbraw/zinc/19/56/78/385195678.db2.gz JCMRABCHRDPHHH-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1csc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227675943 385197517 /nfs/dbraw/zinc/19/75/17/385197517.db2.gz FDIOSRMYTSBQJX-WDEREUQCSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1csc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227675943 385197525 /nfs/dbraw/zinc/19/75/25/385197525.db2.gz FDIOSRMYTSBQJX-WDEREUQCSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000177208839 385198391 /nfs/dbraw/zinc/19/83/91/385198391.db2.gz IREQEEZLVRZGFI-LLVKDONJSA-N 2 2 242.326 2.155 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+](C)C)CC2 ZINC000129357836 385143366 /nfs/dbraw/zinc/14/33/66/385143366.db2.gz KPYMAEXULJLEBX-AWEZNQCLSA-N 2 2 218.344 2.134 20 0 BEADLP C[NH+](C)CC(C)(C)CNc1cccc[nH+]1 ZINC000021809116 385180834 /nfs/dbraw/zinc/18/08/34/385180834.db2.gz HUAQOXCWKCNOSX-UHFFFAOYSA-N 2 2 207.321 2.081 20 0 BEADLP FCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000129994864 385208530 /nfs/dbraw/zinc/20/85/30/385208530.db2.gz GEFHDZRIZPWHSS-UHFFFAOYSA-N 2 2 236.334 2.210 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CC1(SC)CC1 ZINC000336745599 385212906 /nfs/dbraw/zinc/21/29/06/385212906.db2.gz ANWGAFQPXRBMNN-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CC1(SC)CC1 ZINC000336745599 385212910 /nfs/dbraw/zinc/21/29/10/385212910.db2.gz ANWGAFQPXRBMNN-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)C[NH+](C)C ZINC000291689418 385219918 /nfs/dbraw/zinc/21/99/18/385219918.db2.gz IXJCORRUCNCCQW-JTQLQIEISA-N 2 2 242.313 2.252 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+](C)C ZINC000308860009 385222071 /nfs/dbraw/zinc/22/20/71/385222071.db2.gz RCRBOPIFACWVOL-RTXFEEFZSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]CC[NH+]1CCCC1 ZINC000301002436 385229064 /nfs/dbraw/zinc/22/90/64/385229064.db2.gz XHHCMVCOIPVOKG-ZDUSSCGKSA-N 2 2 212.381 2.354 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000044527786 385308283 /nfs/dbraw/zinc/30/82/83/385308283.db2.gz HCGPBSOFPVULTN-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000044527786 385308286 /nfs/dbraw/zinc/30/82/86/385308286.db2.gz HCGPBSOFPVULTN-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000044421639 385309453 /nfs/dbraw/zinc/30/94/53/385309453.db2.gz RWSFGGUKKDEDEE-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000044421639 385309457 /nfs/dbraw/zinc/30/94/57/385309457.db2.gz RWSFGGUKKDEDEE-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)C[NH+](C)C ZINC000157944719 385316599 /nfs/dbraw/zinc/31/65/99/385316599.db2.gz ATFLCEMJVGYENV-VXGBXAGGSA-N 2 2 238.350 2.296 20 0 BEADLP CC(C)COc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712646 385270604 /nfs/dbraw/zinc/27/06/04/385270604.db2.gz YIWNHWKDRDIQPE-GFCCVEGCSA-N 2 2 236.359 2.331 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000308914703 385282232 /nfs/dbraw/zinc/28/22/32/385282232.db2.gz AYTJQBNWTZVLHQ-MDZLAQPJSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000308914703 385282240 /nfs/dbraw/zinc/28/22/40/385282240.db2.gz AYTJQBNWTZVLHQ-MDZLAQPJSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccco1 ZINC000308922696 385295201 /nfs/dbraw/zinc/29/52/01/385295201.db2.gz PHVSYKAOTHYMDL-WDEREUQCSA-N 2 2 210.321 2.128 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361926222 385344838 /nfs/dbraw/zinc/34/48/38/385344838.db2.gz QKIWNUZROBSWRE-DGCLKSJQSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000361926222 385344841 /nfs/dbraw/zinc/34/48/41/385344841.db2.gz QKIWNUZROBSWRE-DGCLKSJQSA-N 2 2 234.343 2.037 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000309033244 385381015 /nfs/dbraw/zinc/38/10/15/385381015.db2.gz GJIKJTPLVXWBOM-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000309033244 385381017 /nfs/dbraw/zinc/38/10/17/385381017.db2.gz GJIKJTPLVXWBOM-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2)C1 ZINC000168667349 385381645 /nfs/dbraw/zinc/38/16/45/385381645.db2.gz SSIFABXHDUVQNW-GRTSSRMGSA-N 2 2 232.371 2.472 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000309097227 385407768 /nfs/dbraw/zinc/40/77/68/385407768.db2.gz DHPMSAFADXDXDP-GWCFXTLKSA-N 2 2 204.317 2.178 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309090860 385414258 /nfs/dbraw/zinc/41/42/58/385414258.db2.gz BBXCYDLGJCPQEB-AAEUAGOBSA-N 2 2 208.349 2.025 20 0 BEADLP CC(C)=CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309090860 385414261 /nfs/dbraw/zinc/41/42/61/385414261.db2.gz BBXCYDLGJCPQEB-AAEUAGOBSA-N 2 2 208.349 2.025 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000309163428 385445014 /nfs/dbraw/zinc/44/50/14/385445014.db2.gz HYXGKTPPNFNRMJ-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000309163428 385445016 /nfs/dbraw/zinc/44/50/16/385445016.db2.gz HYXGKTPPNFNRMJ-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309167307 385446518 /nfs/dbraw/zinc/44/65/18/385446518.db2.gz JPWUYDUAIQWUBC-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309167307 385446521 /nfs/dbraw/zinc/44/65/21/385446521.db2.gz JPWUYDUAIQWUBC-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](C[NH2+]Cc1cccnc1Cl)C[NH+](C)C ZINC000291676341 385467399 /nfs/dbraw/zinc/46/73/99/385467399.db2.gz HEVFIEFOHKRPSM-SNVBAGLBSA-N 2 2 241.766 2.022 20 0 BEADLP C(C1CCCCC1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC000364490635 385470558 /nfs/dbraw/zinc/47/05/58/385470558.db2.gz LDOJTWAIGILGCB-UHFFFAOYSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCCCC1)[N@H+]1CC[NH+]2CCC1CC2 ZINC000364490635 385470561 /nfs/dbraw/zinc/47/05/61/385470561.db2.gz LDOJTWAIGILGCB-UHFFFAOYSA-N 2 2 222.376 2.347 20 0 BEADLP CC[N@H+](CCNc1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000110481030 385492919 /nfs/dbraw/zinc/49/29/19/385492919.db2.gz PNNIYRAJNLUCMU-UHFFFAOYSA-N 2 2 248.374 2.496 20 0 BEADLP CC[N@@H+](CCNc1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000110481030 385492924 /nfs/dbraw/zinc/49/29/24/385492924.db2.gz PNNIYRAJNLUCMU-UHFFFAOYSA-N 2 2 248.374 2.496 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000302428499 385523596 /nfs/dbraw/zinc/52/35/96/385523596.db2.gz MHYAOOZQHHQMLV-ZDUSSCGKSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309415417 385575361 /nfs/dbraw/zinc/57/53/61/385575361.db2.gz XHGOQNHXRXFECN-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)(CF)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000309373139 385555959 /nfs/dbraw/zinc/55/59/59/385555959.db2.gz QUFZOBIFLUEORC-UHFFFAOYSA-N 2 2 221.279 2.172 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000309394674 385561807 /nfs/dbraw/zinc/56/18/07/385561807.db2.gz VAZZOPHAPQACJQ-ABXWRUBCSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000309394674 385561811 /nfs/dbraw/zinc/56/18/11/385561811.db2.gz VAZZOPHAPQACJQ-ABXWRUBCSA-N 2 2 224.392 2.493 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CCC1CC1 ZINC000181078794 385562834 /nfs/dbraw/zinc/56/28/34/385562834.db2.gz DXCQKMQLXIHKPX-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CCC1CC1 ZINC000181078794 385562836 /nfs/dbraw/zinc/56/28/36/385562836.db2.gz DXCQKMQLXIHKPX-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000181122660 385564012 /nfs/dbraw/zinc/56/40/12/385564012.db2.gz MSVBRELYGDDDNM-LBPRGKRZSA-N 2 2 249.358 2.011 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)C[C@@H](C)O)c[nH+]1 ZINC000354639099 385606554 /nfs/dbraw/zinc/60/65/54/385606554.db2.gz WNURHODOBUSSPD-CHWSQXEVSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)nc1 ZINC000353107961 385591006 /nfs/dbraw/zinc/59/10/06/385591006.db2.gz GHZUIZNDEJXOGC-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ccc(CCC[NH2+]CCOC(C)C)c[nH+]1 ZINC000354659580 385619124 /nfs/dbraw/zinc/61/91/24/385619124.db2.gz UTWPJBHFNOBPGP-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000337385274 385638252 /nfs/dbraw/zinc/63/82/52/385638252.db2.gz HHQYSPXDYTVODN-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000337408044 385650156 /nfs/dbraw/zinc/65/01/56/385650156.db2.gz UHLUYASYWHEPET-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CS1 ZINC000336652892 385661087 /nfs/dbraw/zinc/66/10/87/385661087.db2.gz FULCXHXQEXTKEM-UPJWGTAASA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CS1 ZINC000336652892 385661092 /nfs/dbraw/zinc/66/10/92/385661092.db2.gz FULCXHXQEXTKEM-UPJWGTAASA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555249 385686169 /nfs/dbraw/zinc/68/61/69/385686169.db2.gz JLWFYDJHUJCFSR-NTZNESFSSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555249 385686172 /nfs/dbraw/zinc/68/61/72/385686172.db2.gz JLWFYDJHUJCFSR-NTZNESFSSA-N 2 2 224.392 2.493 20 0 BEADLP c1cn(CCC[N@@H+]2CCc3sccc3C2)c[nH+]1 ZINC000182620064 385690168 /nfs/dbraw/zinc/69/01/68/385690168.db2.gz VQRIGHAFVVYQRE-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP c1cn(CCC[N@H+]2CCc3sccc3C2)c[nH+]1 ZINC000182620064 385690171 /nfs/dbraw/zinc/69/01/71/385690171.db2.gz VQRIGHAFVVYQRE-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000414854811 385696907 /nfs/dbraw/zinc/69/69/07/385696907.db2.gz VPPYSXLXWKIEGU-CYBMUJFWSA-N 2 2 242.313 2.428 20 0 BEADLP C[NH+](C)CC1(Nc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000281793094 385703977 /nfs/dbraw/zinc/70/39/77/385703977.db2.gz ICOVSFIWSGDMBA-UHFFFAOYSA-N 2 2 246.358 2.250 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586722 385710855 /nfs/dbraw/zinc/71/08/55/385710855.db2.gz SAHUBZPQTBCVLS-GYSYKLTISA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586722 385710857 /nfs/dbraw/zinc/71/08/57/385710857.db2.gz SAHUBZPQTBCVLS-GYSYKLTISA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)CS1 ZINC000336654931 385738417 /nfs/dbraw/zinc/73/84/17/385738417.db2.gz GZLLXKWLWQNOCJ-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414861026 385743943 /nfs/dbraw/zinc/74/39/43/385743943.db2.gz DTMOCYZKIDAGMC-NPPUXFBVSA-N 2 2 234.318 2.181 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccco1 ZINC000183301199 385751536 /nfs/dbraw/zinc/75/15/36/385751536.db2.gz LHBHZTHBGOHOAY-UHFFFAOYSA-N 2 2 231.299 2.030 20 0 BEADLP Cc1cccc(NCCNc2cccc[nH+]2)[nH+]1 ZINC000354870562 385771397 /nfs/dbraw/zinc/77/13/97/385771397.db2.gz JXEPIIKXZYXLCZ-UHFFFAOYSA-N 2 2 228.299 2.309 20 0 BEADLP C[C@@H](CCC(C)(C)C)[NH2+]CC[NH+](C)C ZINC000336691313 385724763 /nfs/dbraw/zinc/72/47/63/385724763.db2.gz PTSHNIKIPSOUJF-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP Cn1cccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271192038 385804466 /nfs/dbraw/zinc/80/44/66/385804466.db2.gz MZYHXRZPRGIYAL-UHFFFAOYSA-N 2 2 244.342 2.128 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000488467398 385806425 /nfs/dbraw/zinc/80/64/25/385806425.db2.gz WJHIMAWDDXFFSB-NEPJUHHUSA-N 2 2 229.327 2.122 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)Cc1ccccc1F ZINC000414868196 385814721 /nfs/dbraw/zinc/81/47/21/385814721.db2.gz JQFQYAIUFKNNDZ-GFCCVEGCSA-N 2 2 238.350 2.346 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCSCC1 ZINC000186926726 385816880 /nfs/dbraw/zinc/81/68/80/385816880.db2.gz OQGLKKVQUCQOIY-NSHDSACASA-N 2 2 239.388 2.004 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCSCC1 ZINC000186926743 385817028 /nfs/dbraw/zinc/81/70/28/385817028.db2.gz OQGLKKVQUCQOIY-LLVKDONJSA-N 2 2 239.388 2.004 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccncc1F ZINC000340177053 385822616 /nfs/dbraw/zinc/82/26/16/385822616.db2.gz VEHVQSUFCAHPOY-MNOVXSKESA-N 2 2 248.305 2.157 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC000414952168 385823890 /nfs/dbraw/zinc/82/38/90/385823890.db2.gz IFQYENFWHGAFHX-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000389976172 385824415 /nfs/dbraw/zinc/82/44/15/385824415.db2.gz UXLIFVWYHOXOII-LLVKDONJSA-N 2 2 232.318 2.248 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000389976172 385824419 /nfs/dbraw/zinc/82/44/19/385824419.db2.gz UXLIFVWYHOXOII-LLVKDONJSA-N 2 2 232.318 2.248 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000389976173 385824499 /nfs/dbraw/zinc/82/44/99/385824499.db2.gz UXLIFVWYHOXOII-NSHDSACASA-N 2 2 232.318 2.248 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000389976173 385824502 /nfs/dbraw/zinc/82/45/02/385824502.db2.gz UXLIFVWYHOXOII-NSHDSACASA-N 2 2 232.318 2.248 20 0 BEADLP CC[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977878 385825332 /nfs/dbraw/zinc/82/53/32/385825332.db2.gz NYSYYBYPLUGDGP-VXGBXAGGSA-N 2 2 237.347 2.014 20 0 BEADLP CC[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977878 385825337 /nfs/dbraw/zinc/82/53/37/385825337.db2.gz NYSYYBYPLUGDGP-VXGBXAGGSA-N 2 2 237.347 2.014 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000340183306 385826274 /nfs/dbraw/zinc/82/62/74/385826274.db2.gz AOGMHTUKZPEASE-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000340183306 385826277 /nfs/dbraw/zinc/82/62/77/385826277.db2.gz AOGMHTUKZPEASE-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000335640906 385829488 /nfs/dbraw/zinc/82/94/88/385829488.db2.gz DTFWZKIPVXQIEF-NSHDSACASA-N 2 2 224.735 2.100 20 0 BEADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647803352 385837369 /nfs/dbraw/zinc/83/73/69/385837369.db2.gz YDHHKRAGVMMRDZ-JTQLQIEISA-N 2 2 244.342 2.028 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414869749 385839755 /nfs/dbraw/zinc/83/97/55/385839755.db2.gz RPYBDYYFWJTFPK-ZBKLQPJUSA-N 2 2 246.354 2.050 20 0 BEADLP COCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000228707396 385850162 /nfs/dbraw/zinc/85/01/62/385850162.db2.gz HWGKRXSSTSHQMI-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000228707396 385850167 /nfs/dbraw/zinc/85/01/67/385850167.db2.gz HWGKRXSSTSHQMI-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309678847 385791448 /nfs/dbraw/zinc/79/14/48/385791448.db2.gz YXLNXNOXBDVVFF-NWDGAFQWSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309678847 385791449 /nfs/dbraw/zinc/79/14/49/385791449.db2.gz YXLNXNOXBDVVFF-NWDGAFQWSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309678848 385792442 /nfs/dbraw/zinc/79/24/42/385792442.db2.gz YXLNXNOXBDVVFF-RYUDHWBXSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309678848 385792448 /nfs/dbraw/zinc/79/24/48/385792448.db2.gz YXLNXNOXBDVVFF-RYUDHWBXSA-N 2 2 244.448 2.448 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(OCC)c1 ZINC000414963524 385897414 /nfs/dbraw/zinc/89/74/14/385897414.db2.gz UBNXLVLYLPUTID-GFCCVEGCSA-N 2 2 236.359 2.173 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOC1(C)C ZINC000294848080 385903989 /nfs/dbraw/zinc/90/39/89/385903989.db2.gz RUTLIWAHYUVHCI-AWEZNQCLSA-N 2 2 248.370 2.480 20 0 BEADLP CC1(C)OCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000294876461 385907205 /nfs/dbraw/zinc/90/72/05/385907205.db2.gz UMOGHLLLUSMRJV-LBPRGKRZSA-N 2 2 249.358 2.041 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC1CC(F)(F)C1 ZINC000294941881 385920896 /nfs/dbraw/zinc/92/08/96/385920896.db2.gz LHJLXMGSTKTFCN-UHFFFAOYSA-N 2 2 243.301 2.250 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CC(F)(F)C1 ZINC000294941881 385920904 /nfs/dbraw/zinc/92/09/04/385920904.db2.gz LHJLXMGSTKTFCN-UHFFFAOYSA-N 2 2 243.301 2.250 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000335033518 385921633 /nfs/dbraw/zinc/92/16/33/385921633.db2.gz QRLCXNFUCXTXMZ-ZFWWWQNUSA-N 2 2 230.355 2.324 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc(C)c1F ZINC000335032784 385921682 /nfs/dbraw/zinc/92/16/82/385921682.db2.gz ABPRVXGVNFVAOU-YPMHNXCESA-N 2 2 236.334 2.455 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1F ZINC000342094260 385923213 /nfs/dbraw/zinc/92/32/13/385923213.db2.gz FJOYTBFVAGAGCO-SNVBAGLBSA-N 2 2 222.307 2.358 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1F ZINC000342094258 385925436 /nfs/dbraw/zinc/92/54/36/385925436.db2.gz FJOYTBFVAGAGCO-JTQLQIEISA-N 2 2 222.307 2.358 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000272027946 385869683 /nfs/dbraw/zinc/86/96/83/385869683.db2.gz WFAFVFNLWZHOOQ-UHFFFAOYSA-N 2 2 235.356 2.467 20 0 BEADLP CCc1cc(OC)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414873207 385870824 /nfs/dbraw/zinc/87/08/24/385870824.db2.gz XIVGNWSBKUVKRM-AWEZNQCLSA-N 2 2 248.370 2.099 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)CC2 ZINC000338016796 385876173 /nfs/dbraw/zinc/87/61/73/385876173.db2.gz VRYLEZKFHZCEOW-HZSPNIEDSA-N 2 2 245.370 2.366 20 0 BEADLP CCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414880717 385978319 /nfs/dbraw/zinc/97/83/19/385978319.db2.gz KMSLUEJURIXNJQ-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000221141240 385979320 /nfs/dbraw/zinc/97/93/20/385979320.db2.gz PRVIUWVETDKZFF-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000221141240 385979324 /nfs/dbraw/zinc/97/93/24/385979324.db2.gz PRVIUWVETDKZFF-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000251698797 385990071 /nfs/dbraw/zinc/99/00/71/385990071.db2.gz HOTUTBURBSSVDZ-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000251698797 385990077 /nfs/dbraw/zinc/99/00/77/385990077.db2.gz HOTUTBURBSSVDZ-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC000414968166 385936843 /nfs/dbraw/zinc/93/68/43/385936843.db2.gz YBESTXQLPOHNJQ-LLVKDONJSA-N 2 2 224.323 2.222 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC000414968197 385937948 /nfs/dbraw/zinc/93/79/48/385937948.db2.gz YCKMIJQRQMUVIO-UTSBKAFOSA-N 2 2 218.344 2.287 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC000414968196 385938258 /nfs/dbraw/zinc/93/82/58/385938258.db2.gz YCKMIJQRQMUVIO-PGJNLMOESA-N 2 2 218.344 2.287 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335044616 385938266 /nfs/dbraw/zinc/93/82/66/385938266.db2.gz VROWLVMXJDOIEK-TZMCWYRMSA-N 2 2 234.318 2.155 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000338285422 385941529 /nfs/dbraw/zinc/94/15/29/385941529.db2.gz LYDMNIKRAJPGTD-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000338285422 385941534 /nfs/dbraw/zinc/94/15/34/385941534.db2.gz LYDMNIKRAJPGTD-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000338285425 385942185 /nfs/dbraw/zinc/94/21/85/385942185.db2.gz LYDMNIKRAJPGTD-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000338285425 385942191 /nfs/dbraw/zinc/94/21/91/385942191.db2.gz LYDMNIKRAJPGTD-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP Cc1ccc(N[C@@H]2CCCCC[C@@H]2[NH3+])c[nH+]1 ZINC000335049153 385946243 /nfs/dbraw/zinc/94/62/43/385946243.db2.gz JNEVMNJKXXULMC-QWHCGFSZSA-N 2 2 219.332 2.462 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@@H](O)C2)c[nH+]1 ZINC000355170034 385961243 /nfs/dbraw/zinc/96/12/43/385961243.db2.gz VWAYDVOEVAHYAQ-LSDHHAIUSA-N 2 2 248.370 2.073 20 0 BEADLP FCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000285764710 385963447 /nfs/dbraw/zinc/96/34/47/385963447.db2.gz WFOJAWVOZKRMIL-NSHDSACASA-N 2 2 225.311 2.339 20 0 BEADLP FCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000285764710 385963453 /nfs/dbraw/zinc/96/34/53/385963453.db2.gz WFOJAWVOZKRMIL-NSHDSACASA-N 2 2 225.311 2.339 20 0 BEADLP FCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285764706 385963658 /nfs/dbraw/zinc/96/36/58/385963658.db2.gz WFOJAWVOZKRMIL-LLVKDONJSA-N 2 2 225.311 2.339 20 0 BEADLP FCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285764706 385963663 /nfs/dbraw/zinc/96/36/63/385963663.db2.gz WFOJAWVOZKRMIL-LLVKDONJSA-N 2 2 225.311 2.339 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414108542 385969661 /nfs/dbraw/zinc/96/96/61/385969661.db2.gz GIQDOTZOXLAQFE-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414108542 385969670 /nfs/dbraw/zinc/96/96/70/385969670.db2.gz GIQDOTZOXLAQFE-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@H]1C[C@@H]1C ZINC000414111180 386005742 /nfs/dbraw/zinc/00/57/42/386005742.db2.gz MDOXRRHTFMQLAO-IXDBCEGASA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@H]1C[C@@H]1C ZINC000414111180 386005746 /nfs/dbraw/zinc/00/57/46/386005746.db2.gz MDOXRRHTFMQLAO-IXDBCEGASA-N 2 2 236.403 2.493 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414111672 386006608 /nfs/dbraw/zinc/00/66/08/386006608.db2.gz JDHQPLQNDFNEKP-DGAVXFQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414111672 386006616 /nfs/dbraw/zinc/00/66/16/386006616.db2.gz JDHQPLQNDFNEKP-DGAVXFQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336751088 386006954 /nfs/dbraw/zinc/00/69/54/386006954.db2.gz FLRNGIKAYPVYOS-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336751088 386006958 /nfs/dbraw/zinc/00/69/58/386006958.db2.gz FLRNGIKAYPVYOS-CHWSQXEVSA-N 2 2 210.365 2.106 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000414882427 386009799 /nfs/dbraw/zinc/00/97/99/386009799.db2.gz BSSOHYASFSWHFL-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336751945 386012448 /nfs/dbraw/zinc/01/24/48/386012448.db2.gz CQJKXMKMAGLEGD-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336751945 386012455 /nfs/dbraw/zinc/01/24/55/386012455.db2.gz CQJKXMKMAGLEGD-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121554 386013225 /nfs/dbraw/zinc/01/32/25/386013225.db2.gz ZSRXJHHQBFOHRM-JLDUMIBSSA-N 2 2 222.376 2.246 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414121554 386013231 /nfs/dbraw/zinc/01/32/31/386013231.db2.gz ZSRXJHHQBFOHRM-JLDUMIBSSA-N 2 2 222.376 2.246 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336770792 386028079 /nfs/dbraw/zinc/02/80/79/386028079.db2.gz VWYUSTYOAPJBQF-RYUDHWBXSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000335074051 386037659 /nfs/dbraw/zinc/03/76/59/386037659.db2.gz LXIOVSJVJCBNMA-RNCFNFMXSA-N 2 2 240.297 2.367 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335075812 386045225 /nfs/dbraw/zinc/04/52/25/386045225.db2.gz ROCFKWZPIBIEHL-WFASDCNBSA-N 2 2 246.354 2.024 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@@H]1C ZINC000414167302 386051048 /nfs/dbraw/zinc/05/10/48/386051048.db2.gz SGCKJYNRPUGVLX-USZNOCQGSA-N 2 2 233.359 2.291 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@@H]1C ZINC000414167302 386051054 /nfs/dbraw/zinc/05/10/54/386051054.db2.gz SGCKJYNRPUGVLX-USZNOCQGSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336729205 386102251 /nfs/dbraw/zinc/10/22/51/386102251.db2.gz IUYNHMZVEWEPHN-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000038033230 386114900 /nfs/dbraw/zinc/11/49/00/386114900.db2.gz IHJWTFPSDOUJBO-UHFFFAOYSA-N 2 2 206.333 2.247 20 0 BEADLP CCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000038033230 386114904 /nfs/dbraw/zinc/11/49/04/386114904.db2.gz IHJWTFPSDOUJBO-UHFFFAOYSA-N 2 2 206.333 2.247 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000340523243 386116538 /nfs/dbraw/zinc/11/65/38/386116538.db2.gz GTJYHSHXVSERCF-GRYCIOLGSA-N 2 2 240.391 2.015 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000340523243 386116544 /nfs/dbraw/zinc/11/65/44/386116544.db2.gz GTJYHSHXVSERCF-GRYCIOLGSA-N 2 2 240.391 2.015 20 0 BEADLP FC(F)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000353181465 386117470 /nfs/dbraw/zinc/11/74/70/386117470.db2.gz MEEITFTVBRYIIM-SNVBAGLBSA-N 2 2 229.274 2.003 20 0 BEADLP FC(F)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000353181465 386117480 /nfs/dbraw/zinc/11/74/80/386117480.db2.gz MEEITFTVBRYIIM-SNVBAGLBSA-N 2 2 229.274 2.003 20 0 BEADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cn[nH]c1 ZINC000340521502 386120867 /nfs/dbraw/zinc/12/08/67/386120867.db2.gz LJUIIWGSJSUOHB-XGNXJENSSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205596 386059672 /nfs/dbraw/zinc/05/96/72/386059672.db2.gz IWAJLQOTMUQCDD-GBIGGCNCSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205596 386059679 /nfs/dbraw/zinc/05/96/79/386059679.db2.gz IWAJLQOTMUQCDD-GBIGGCNCSA-N 2 2 234.387 2.247 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335072637 386062427 /nfs/dbraw/zinc/06/24/27/386062427.db2.gz GRJQKJYSOWEGRL-SWLSCSKDSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+](C)C1CC1 ZINC000336728774 386081106 /nfs/dbraw/zinc/08/11/06/386081106.db2.gz CRGKMCVQRDCNEL-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+](C)C1CC1 ZINC000336728774 386081109 /nfs/dbraw/zinc/08/11/09/386081109.db2.gz CRGKMCVQRDCNEL-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@H]([NH3+])CC ZINC000414984079 386081744 /nfs/dbraw/zinc/08/17/44/386081744.db2.gz FURUYTHHTVROBQ-LLVKDONJSA-N 2 2 224.323 2.215 20 0 BEADLP CCc1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC000430602341 386082335 /nfs/dbraw/zinc/08/23/35/386082335.db2.gz GRIRRNWVGQAXSU-OAHLLOKOSA-N 2 2 232.371 2.085 20 0 BEADLP CCc1ccc(CC[N@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC000430602341 386082340 /nfs/dbraw/zinc/08/23/40/386082340.db2.gz GRIRRNWVGQAXSU-OAHLLOKOSA-N 2 2 232.371 2.085 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+](C)C)[C@H](C)C2 ZINC000286952681 386086833 /nfs/dbraw/zinc/08/68/33/386086833.db2.gz HLQIRHMYPGROQN-IUODEOHRSA-N 2 2 232.371 2.380 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000414281973 386094008 /nfs/dbraw/zinc/09/40/08/386094008.db2.gz NEEUNWSFELHHFS-LPEHRKFASA-N 2 2 238.297 2.115 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000414281973 386094014 /nfs/dbraw/zinc/09/40/14/386094014.db2.gz NEEUNWSFELHHFS-LPEHRKFASA-N 2 2 238.297 2.115 20 0 BEADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335156210 386149750 /nfs/dbraw/zinc/14/97/50/386149750.db2.gz MLRYDXFDXWPLEI-AAEUAGOBSA-N 2 2 236.746 2.279 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000296242433 386154200 /nfs/dbraw/zinc/15/42/00/386154200.db2.gz AXUHKMIFKCZQKS-NSHDSACASA-N 2 2 230.315 2.006 20 0 BEADLP CSc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000335300133 386161326 /nfs/dbraw/zinc/16/13/26/386161326.db2.gz UGRXTSIKLMGGJC-JQWIXIFHSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000335300133 386161331 /nfs/dbraw/zinc/16/13/31/386161331.db2.gz UGRXTSIKLMGGJC-JQWIXIFHSA-N 2 2 236.384 2.330 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)C(C1CC1)C1CC1 ZINC000414687510 386180477 /nfs/dbraw/zinc/18/04/77/386180477.db2.gz CBBATTVXCMGGPT-UHFFFAOYSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)C(C1CC1)C1CC1 ZINC000414687510 386180478 /nfs/dbraw/zinc/18/04/78/386180478.db2.gz CBBATTVXCMGGPT-UHFFFAOYSA-N 2 2 224.392 2.495 20 0 BEADLP COC1CCC([N@H+](C)C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414691033 386184799 /nfs/dbraw/zinc/18/47/99/386184799.db2.gz IKFUGRJNFDAAJZ-HSBZDZAISA-N 2 2 242.407 2.249 20 0 BEADLP COC1CCC([N@@H+](C)C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414691033 386184806 /nfs/dbraw/zinc/18/48/06/386184806.db2.gz IKFUGRJNFDAAJZ-HSBZDZAISA-N 2 2 242.407 2.249 20 0 BEADLP Cc1ccccc1[C@H]1C[N@H+](CCC[NH3+])[C@@H](C)CO1 ZINC000414693149 386188694 /nfs/dbraw/zinc/18/86/94/386188694.db2.gz DVCVZNXZWDUHIC-DZGCQCFKSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccccc1[C@H]1C[N@@H+](CCC[NH3+])[C@@H](C)CO1 ZINC000414693149 386188698 /nfs/dbraw/zinc/18/86/98/386188698.db2.gz DVCVZNXZWDUHIC-DZGCQCFKSA-N 2 2 248.370 2.106 20 0 BEADLP CCC1CC([NH2+]CC[NH+]2CCCCC2)C1 ZINC000336773655 386128014 /nfs/dbraw/zinc/12/80/14/386128014.db2.gz YXUKAEUHVVXLRH-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000162689391 386141773 /nfs/dbraw/zinc/14/17/73/386141773.db2.gz GGOYWEKYOHZCKR-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccncc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000162689391 386141779 /nfs/dbraw/zinc/14/17/79/386141779.db2.gz GGOYWEKYOHZCKR-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@H]1CCOC1 ZINC000275336766 386200994 /nfs/dbraw/zinc/20/09/94/386200994.db2.gz WYDNZBWBUSQDSU-CQSZACIVSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H]1CCOC1 ZINC000275336766 386200997 /nfs/dbraw/zinc/20/09/97/386200997.db2.gz WYDNZBWBUSQDSU-CQSZACIVSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000275318676 386202874 /nfs/dbraw/zinc/20/28/74/386202874.db2.gz SMTFRRUKZGMIBB-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)o1 ZINC000275318676 386202880 /nfs/dbraw/zinc/20/28/80/386202880.db2.gz SMTFRRUKZGMIBB-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000275318676 386202883 /nfs/dbraw/zinc/20/28/83/386202883.db2.gz SMTFRRUKZGMIBB-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)o1 ZINC000275318676 386202887 /nfs/dbraw/zinc/20/28/87/386202887.db2.gz SMTFRRUKZGMIBB-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000336742576 386203537 /nfs/dbraw/zinc/20/35/37/386203537.db2.gz OLNVEGNGODIUCJ-VXGBXAGGSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000336742576 386203541 /nfs/dbraw/zinc/20/35/41/386203541.db2.gz OLNVEGNGODIUCJ-VXGBXAGGSA-N 2 2 219.332 2.285 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CCOC3CCC3)CC2)[nH]1 ZINC000347056694 386208019 /nfs/dbraw/zinc/20/80/19/386208019.db2.gz OYEMBLWEIUSFGV-UHFFFAOYSA-N 2 2 249.358 2.158 20 0 BEADLP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[NH+](C)C ZINC000264232587 386220848 /nfs/dbraw/zinc/22/08/48/386220848.db2.gz CIHLJULYVQSBGC-GFCCVEGCSA-N 2 2 246.354 2.002 20 0 BEADLP Cc1ccsc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347141566 386260043 /nfs/dbraw/zinc/26/00/43/386260043.db2.gz WQUZORJTEUDBAQ-LBPRGKRZSA-N 2 2 236.384 2.383 20 0 BEADLP Cc1ccsc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000347141566 386260049 /nfs/dbraw/zinc/26/00/49/386260049.db2.gz WQUZORJTEUDBAQ-LBPRGKRZSA-N 2 2 236.384 2.383 20 0 BEADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000347040201 386227175 /nfs/dbraw/zinc/22/71/75/386227175.db2.gz HSPLWJNTIPZGIJ-ZBKLQPJUSA-N 2 2 246.354 2.132 20 0 BEADLP COc1ccccc1/C=C\C[N@H+]1CCC[C@H]1C[NH3+] ZINC000347040201 386227181 /nfs/dbraw/zinc/22/71/81/386227181.db2.gz HSPLWJNTIPZGIJ-ZBKLQPJUSA-N 2 2 246.354 2.132 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000415000853 386228720 /nfs/dbraw/zinc/22/87/20/386228720.db2.gz BQODXQBJKHUJPH-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000347111874 386232960 /nfs/dbraw/zinc/23/29/60/386232960.db2.gz QELNFMHZIMOXRQ-UMBAGQNISA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000347111874 386232964 /nfs/dbraw/zinc/23/29/64/386232964.db2.gz QELNFMHZIMOXRQ-UMBAGQNISA-N 2 2 240.297 2.257 20 0 BEADLP COCC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289075349 386260455 /nfs/dbraw/zinc/26/04/55/386260455.db2.gz CVPFJXMODVKWHM-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)CC2 ZINC000453209246 386241663 /nfs/dbraw/zinc/24/16/63/386241663.db2.gz ZCPPMQXIIZKIGU-UKRRQHHQSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000131230169 386200257 /nfs/dbraw/zinc/20/02/57/386200257.db2.gz GNUUCOBXRFAKCU-MRVPVSSYSA-N 2 2 248.248 2.022 20 0 BEADLP CCC[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000297877342 386284184 /nfs/dbraw/zinc/28/41/84/386284184.db2.gz QFHLKVWAWJCKBZ-NSHDSACASA-N 2 2 209.337 2.083 20 0 BEADLP CCC[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297877342 386284188 /nfs/dbraw/zinc/28/41/88/386284188.db2.gz QFHLKVWAWJCKBZ-NSHDSACASA-N 2 2 209.337 2.083 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340310874 386287486 /nfs/dbraw/zinc/28/74/86/386287486.db2.gz XWCNLCZGJADUBJ-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC[C@H](C)O ZINC000276263359 386293020 /nfs/dbraw/zinc/29/30/20/386293020.db2.gz BJRKCAUHULNHBS-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC[C@H](C)O ZINC000276263359 386293028 /nfs/dbraw/zinc/29/30/28/386293028.db2.gz BJRKCAUHULNHBS-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000336730910 386299066 /nfs/dbraw/zinc/29/90/66/386299066.db2.gz IOGFHMYQAPHWMA-FPMFFAJLSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000336730910 386299073 /nfs/dbraw/zinc/29/90/73/386299073.db2.gz IOGFHMYQAPHWMA-FPMFFAJLSA-N 2 2 224.392 2.493 20 0 BEADLP CCn1c[nH+]cc1CNc1cccc(C)[nH+]1 ZINC000416425913 386301261 /nfs/dbraw/zinc/30/12/61/386301261.db2.gz KBWORNQWJQAXAN-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP c1[nH]cc(C2CC[NH+](CCC3CC3)CC2)[nH+]1 ZINC000336669586 386312777 /nfs/dbraw/zinc/31/27/77/386312777.db2.gz SUIYWIGHEYTTNW-UHFFFAOYSA-N 2 2 219.332 2.389 20 0 BEADLP Cc1ccncc1C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414737876 386317237 /nfs/dbraw/zinc/31/72/37/386317237.db2.gz IZDUXMGXZDUJDP-CQSZACIVSA-N 2 2 235.375 2.195 20 0 BEADLP Cc1ccncc1C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000414737876 386317240 /nfs/dbraw/zinc/31/72/40/386317240.db2.gz IZDUXMGXZDUJDP-CQSZACIVSA-N 2 2 235.375 2.195 20 0 BEADLP CC[C@]1(C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336653405 386270273 /nfs/dbraw/zinc/27/02/73/386270273.db2.gz YKBKNPMGPDSOAI-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@]1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336653405 386270277 /nfs/dbraw/zinc/27/02/77/386270277.db2.gz YKBKNPMGPDSOAI-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@H]1O ZINC000289240191 386274647 /nfs/dbraw/zinc/27/46/47/386274647.db2.gz LAQJKUMHRQVEDJ-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@H]1O ZINC000289240191 386274654 /nfs/dbraw/zinc/27/46/54/386274654.db2.gz LAQJKUMHRQVEDJ-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000289248780 386277378 /nfs/dbraw/zinc/27/73/78/386277378.db2.gz LPXZXQCKUUKRLC-UHFFFAOYSA-N 3 2 247.386 2.006 20 0 BEADLP C[C@H](CCc1ccc(F)cc1)[NH2+]CC[NH+](C)C ZINC000276536319 386342124 /nfs/dbraw/zinc/34/21/24/386342124.db2.gz XALJADNBHNNNLW-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP CO[C@@H](C)C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289702864 386343346 /nfs/dbraw/zinc/34/33/46/386343346.db2.gz OQSDVDRSPNUEQI-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP CO[C@@H](C)C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289702864 386343351 /nfs/dbraw/zinc/34/33/51/386343351.db2.gz OQSDVDRSPNUEQI-ZDUSSCGKSA-N 2 2 236.359 2.289 20 0 BEADLP CC(C)C(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000289781887 386356823 /nfs/dbraw/zinc/35/68/23/386356823.db2.gz JBCYMCMHBNBIKP-LBPRGKRZSA-N 2 2 249.358 2.204 20 0 BEADLP CC(C)C(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000289781887 386356826 /nfs/dbraw/zinc/35/68/26/386356826.db2.gz JBCYMCMHBNBIKP-LBPRGKRZSA-N 2 2 249.358 2.204 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[C@@H](C)O ZINC000289848271 386361490 /nfs/dbraw/zinc/36/14/90/386361490.db2.gz VFTCAPBZCCVCHB-CYBMUJFWSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C)(O)CC1 ZINC000290005688 386381846 /nfs/dbraw/zinc/38/18/46/386381846.db2.gz LOSSOOWUVALZNZ-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP COC1CC([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000347331600 386331014 /nfs/dbraw/zinc/33/10/14/386331014.db2.gz FQTMZWODGCSGFE-UHFFFAOYSA-N 2 2 249.358 2.041 20 0 BEADLP Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265376120 386333977 /nfs/dbraw/zinc/33/39/77/386333977.db2.gz PSRPEZVMCBLREV-JTQLQIEISA-N 2 2 248.374 2.415 20 0 BEADLP FC(F)(F)c1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000094074162 386443768 /nfs/dbraw/zinc/44/37/68/386443768.db2.gz XJOJSRWKKAXUGW-NSHDSACASA-N 2 2 244.260 2.157 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000094079765 386444401 /nfs/dbraw/zinc/44/44/01/386444401.db2.gz LEBMROIMFQNLAZ-OCCSQVGLSA-N 2 2 234.343 2.098 20 0 BEADLP COCC1(C)CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414754165 386391311 /nfs/dbraw/zinc/39/13/11/386391311.db2.gz NJUBRPKSNOPVSQ-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000414908079 386392799 /nfs/dbraw/zinc/39/27/99/386392799.db2.gz AYJQGIHLSASNJD-IUODEOHRSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000414908163 386399425 /nfs/dbraw/zinc/39/94/25/386399425.db2.gz BBIBNSLANLEXCS-GXFFZTMASA-N 2 2 238.762 2.428 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000290188111 386404572 /nfs/dbraw/zinc/40/45/72/386404572.db2.gz ZUAUTFSJRMXLRS-KBPBESRZSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000290188111 386404574 /nfs/dbraw/zinc/40/45/74/386404574.db2.gz ZUAUTFSJRMXLRS-KBPBESRZSA-N 2 2 248.370 2.432 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H](C)C1 ZINC000414757846 386405884 /nfs/dbraw/zinc/40/58/84/386405884.db2.gz LVOGDSBQJKITJN-QWHCGFSZSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@H](C)C1 ZINC000414757846 386405886 /nfs/dbraw/zinc/40/58/86/386405886.db2.gz LVOGDSBQJKITJN-QWHCGFSZSA-N 2 2 212.381 2.482 20 0 BEADLP Cc1ccc(CCCN2CC[NH2+][C@H](C)[C@H]2C)c[nH+]1 ZINC000339408269 386413954 /nfs/dbraw/zinc/41/39/54/386413954.db2.gz XDGMPOJATVQINX-ZIAGYGMSSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCCN2CC[NH2+][C@H](C)[C@@H]2C)c[nH+]1 ZINC000339408267 386414002 /nfs/dbraw/zinc/41/40/02/386414002.db2.gz XDGMPOJATVQINX-KGLIPLIRSA-N 2 2 247.386 2.005 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000647933849 386418249 /nfs/dbraw/zinc/41/82/49/386418249.db2.gz GBOKGFMSEATSCJ-UHFFFAOYSA-N 2 2 241.338 2.401 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CCCc1ccccc1)C2 ZINC000647933849 386418257 /nfs/dbraw/zinc/41/82/57/386418257.db2.gz GBOKGFMSEATSCJ-UHFFFAOYSA-N 2 2 241.338 2.401 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415009390 386419862 /nfs/dbraw/zinc/41/98/62/386419862.db2.gz NZUJAZBGUWWFNB-RKDXNWHRSA-N 2 2 239.388 2.236 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCC2(CC2)C1 ZINC000414761442 386420242 /nfs/dbraw/zinc/42/02/42/386420242.db2.gz TWDWDKKUOMGIGA-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCCC2(CC2)C1 ZINC000414761442 386420245 /nfs/dbraw/zinc/42/02/45/386420245.db2.gz TWDWDKKUOMGIGA-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000442663621 386420528 /nfs/dbraw/zinc/42/05/28/386420528.db2.gz SZVYTDXEOPIHKF-ZDUSSCGKSA-N 2 2 247.386 2.066 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000442663621 386420532 /nfs/dbraw/zinc/42/05/32/386420532.db2.gz SZVYTDXEOPIHKF-ZDUSSCGKSA-N 2 2 247.386 2.066 20 0 BEADLP CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](C)[NH3+])s1 ZINC000442664580 386421014 /nfs/dbraw/zinc/42/10/14/386421014.db2.gz KGLHAEVJGSMDEE-WPRPVWTQSA-N 2 2 241.404 2.354 20 0 BEADLP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](C)[NH3+])s1 ZINC000442664580 386421017 /nfs/dbraw/zinc/42/10/17/386421017.db2.gz KGLHAEVJGSMDEE-WPRPVWTQSA-N 2 2 241.404 2.354 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)[C@H](C)O ZINC000290348086 386423950 /nfs/dbraw/zinc/42/39/50/386423950.db2.gz LTZVIWZGMUBBOQ-LBPRGKRZSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC000322822191 386469323 /nfs/dbraw/zinc/46/93/23/386469323.db2.gz CSBKHTIBPBMXSY-GOOCMWNKSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000322822191 386469329 /nfs/dbraw/zinc/46/93/29/386469329.db2.gz CSBKHTIBPBMXSY-GOOCMWNKSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccn1 ZINC000391195653 386474409 /nfs/dbraw/zinc/47/44/09/386474409.db2.gz LDPMTCKZNSPXJN-GXTWGEPZSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)OC ZINC000290793281 386475528 /nfs/dbraw/zinc/47/55/28/386475528.db2.gz DRNCGNOBROXESO-AWEZNQCLSA-N 2 2 236.359 2.337 20 0 BEADLP COc1ccccc1/C=C\C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414776457 386478661 /nfs/dbraw/zinc/47/86/61/386478661.db2.gz WVPWLQMZCDTWNU-MHQJXXKBSA-N 2 2 246.354 2.130 20 0 BEADLP COc1ccccc1/C=C\C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414776457 386478669 /nfs/dbraw/zinc/47/86/69/386478669.db2.gz WVPWLQMZCDTWNU-MHQJXXKBSA-N 2 2 246.354 2.130 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CC3CCOCC3)CC2)[nH]1 ZINC000335426969 386479450 /nfs/dbraw/zinc/47/94/50/386479450.db2.gz SJYYDPLTMBWKHT-UHFFFAOYSA-N 2 2 249.358 2.016 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000417350791 386491651 /nfs/dbraw/zinc/49/16/51/386491651.db2.gz BGXNVDINJIEFHF-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000415012986 386492591 /nfs/dbraw/zinc/49/25/91/386492591.db2.gz UCYIWPUTDLNBAZ-ZJUUUORDSA-N 2 2 241.404 2.167 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000415013082 386493124 /nfs/dbraw/zinc/49/31/24/386493124.db2.gz KAAAWSSMLFXJNJ-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000415013509 386495152 /nfs/dbraw/zinc/49/51/52/386495152.db2.gz KRJXLLJJMMQOEK-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000415015457 386500442 /nfs/dbraw/zinc/50/04/42/386500442.db2.gz NCUUHWBMQDRDGU-GHMZBOCLSA-N 2 2 248.370 2.225 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1F ZINC000415033274 386520920 /nfs/dbraw/zinc/52/09/20/386520920.db2.gz GVRLZEHRHXMMDA-ZDUSSCGKSA-N 2 2 236.334 2.364 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC1(C)C ZINC000336754562 386521959 /nfs/dbraw/zinc/52/19/59/386521959.db2.gz HPYSCTYRLMAMCB-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC1(C)C ZINC000336754562 386521962 /nfs/dbraw/zinc/52/19/62/386521962.db2.gz HPYSCTYRLMAMCB-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP c1c(CCNc2cccc[nH+]2)[nH+]c2n1CCCC2 ZINC000134887301 386454704 /nfs/dbraw/zinc/45/47/04/386454704.db2.gz KTNABGKHHOCHGZ-UHFFFAOYSA-N 2 2 242.326 2.269 20 0 BEADLP CCSCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266729239 386465481 /nfs/dbraw/zinc/46/54/81/386465481.db2.gz JCRIFODIEUFRMJ-UHFFFAOYSA-N 2 2 239.388 2.342 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccnn1C ZINC000278753238 386577189 /nfs/dbraw/zinc/57/71/89/386577189.db2.gz OANSXNDLYVIXAY-GFCCVEGCSA-N 2 2 244.342 2.017 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccccc1OC1CCC1 ZINC000415086255 386599057 /nfs/dbraw/zinc/59/90/57/386599057.db2.gz JIUPRMBGGLCVGU-UHFFFAOYSA-N 2 2 248.370 2.445 20 0 BEADLP Cc1ccccc1OCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000415078091 386587607 /nfs/dbraw/zinc/58/76/07/386587607.db2.gz IGCUKGDAPNBFSS-AWEZNQCLSA-N 2 2 248.370 2.106 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccccc1OCC1CC1 ZINC000414803148 386598892 /nfs/dbraw/zinc/59/88/92/386598892.db2.gz LRKPDKBGLMCZIL-UHFFFAOYSA-N 2 2 248.370 2.302 20 0 BEADLP Cc1nocc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329013270 386596200 /nfs/dbraw/zinc/59/62/00/386596200.db2.gz PGBAKYZPYGBYSB-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)[C@H]1C ZINC000336755464 386530701 /nfs/dbraw/zinc/53/07/01/386530701.db2.gz IWRCIFQTIIKHQK-SJHCENCUSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)[C@H]1C ZINC000336755464 386530704 /nfs/dbraw/zinc/53/07/04/386530704.db2.gz IWRCIFQTIIKHQK-SJHCENCUSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)c1ncc(C[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000414788617 386532851 /nfs/dbraw/zinc/53/28/51/386532851.db2.gz DQNBLEWMUOOUIF-NSHDSACASA-N 2 2 241.404 2.339 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@H+](C)C1CC1 ZINC000519700717 386536950 /nfs/dbraw/zinc/53/69/50/386536950.db2.gz BADIOWDJACEDBU-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+](C)C1CC1 ZINC000519700717 386536953 /nfs/dbraw/zinc/53/69/53/386536953.db2.gz BADIOWDJACEDBU-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@H+](C)C1CC1 ZINC000519700705 386537668 /nfs/dbraw/zinc/53/76/68/386537668.db2.gz BADIOWDJACEDBU-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[N@@H+](C)C1CC1 ZINC000519700705 386537673 /nfs/dbraw/zinc/53/76/73/386537673.db2.gz BADIOWDJACEDBU-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415064200 386544262 /nfs/dbraw/zinc/54/42/62/386544262.db2.gz BZFTWUQSJKPQSD-PPYMECGQSA-N 2 2 230.355 2.432 20 0 BEADLP c1[nH+]cn2c1C[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC000291436663 386546019 /nfs/dbraw/zinc/54/60/19/386546019.db2.gz BPCIARGWEQETSZ-GFCCVEGCSA-N 2 2 217.316 2.055 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC000291436663 386546023 /nfs/dbraw/zinc/54/60/23/386546023.db2.gz BPCIARGWEQETSZ-GFCCVEGCSA-N 2 2 217.316 2.055 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCO[C@H]1C ZINC000415065582 386546857 /nfs/dbraw/zinc/54/68/57/386546857.db2.gz NCPBSZLOFVPFSD-GLQYFDAESA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccccc1F)C1CCCC1 ZINC000415065722 386548434 /nfs/dbraw/zinc/54/84/34/386548434.db2.gz NHNJCTOAVATAGW-CQSZACIVSA-N 2 2 236.334 2.433 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCCC[NH2+]C2)c[nH+]1 ZINC000415068425 386552066 /nfs/dbraw/zinc/55/20/66/386552066.db2.gz DYISRMXHEAFVGM-OAHLLOKOSA-N 3 2 247.386 2.054 20 0 BEADLP C[NH2+]CCSCc1cn2c(cccc2C)[nH+]1 ZINC000519770621 386552600 /nfs/dbraw/zinc/55/26/00/386552600.db2.gz JXSFJBCYQNSKGK-UHFFFAOYSA-N 2 2 235.356 2.095 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071387 386556592 /nfs/dbraw/zinc/55/65/92/386556592.db2.gz SXPMECJSZPRDKP-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983735 386559564 /nfs/dbraw/zinc/55/95/64/386559564.db2.gz OELZAGALQQAKMR-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061983735 386559568 /nfs/dbraw/zinc/55/95/68/386559568.db2.gz OELZAGALQQAKMR-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@@H](C[NH3+])C2CC2)s1 ZINC000414794460 386561892 /nfs/dbraw/zinc/56/18/92/386561892.db2.gz FRHUFEURXAYNOH-NSHDSACASA-N 2 2 239.388 2.093 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc2ncccc2c1 ZINC000123776060 386572091 /nfs/dbraw/zinc/57/20/91/386572091.db2.gz MYCVOWIKBYYORX-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000123776060 386572096 /nfs/dbraw/zinc/57/20/96/386572096.db2.gz MYCVOWIKBYYORX-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335496941 386621974 /nfs/dbraw/zinc/62/19/74/386621974.db2.gz VETMNAXIOPHSTG-JSGCOSHPSA-N 2 2 233.359 2.183 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000520254396 386623229 /nfs/dbraw/zinc/62/32/29/386623229.db2.gz UZFPTWLBSQBCPA-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000520254396 386623234 /nfs/dbraw/zinc/62/32/34/386623234.db2.gz UZFPTWLBSQBCPA-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498099 386623475 /nfs/dbraw/zinc/62/34/75/386623475.db2.gz CTCDXKJIEMTFIQ-KOLCDFICSA-N 2 2 247.367 2.309 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000335498897 386626523 /nfs/dbraw/zinc/62/65/23/386626523.db2.gz YJEJOSBTGMUMST-SWLSCSKDSA-N 2 2 246.354 2.024 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(O)cc(F)c1 ZINC000414811086 386635081 /nfs/dbraw/zinc/63/50/81/386635081.db2.gz IUDXREJTCCGLPI-GFCCVEGCSA-N 2 2 240.322 2.138 20 0 BEADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335423678 386599390 /nfs/dbraw/zinc/59/93/90/386599390.db2.gz CGCNHBLQOCJKGQ-DZGCQCFKSA-N 2 2 241.338 2.204 20 0 BEADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335423682 386599509 /nfs/dbraw/zinc/59/95/09/386599509.db2.gz CGCNHBLQOCJKGQ-UKRRQHHQSA-N 2 2 241.338 2.204 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414803677 386599745 /nfs/dbraw/zinc/59/97/45/386599745.db2.gz MLVNTAPSZLRTEU-UHFFFAOYSA-N 2 2 236.359 2.301 20 0 BEADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1C ZINC000414923088 386602790 /nfs/dbraw/zinc/60/27/90/386602790.db2.gz GXPRZANPFIPEGD-RISCZKNCSA-N 2 2 248.370 2.091 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000414801777 386603678 /nfs/dbraw/zinc/60/36/78/386603678.db2.gz MEWCRTDZGHBQAM-GFCCVEGCSA-N 2 2 224.735 2.167 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000414805925 386606199 /nfs/dbraw/zinc/60/61/99/386606199.db2.gz PGIATDQEQHZEDD-UHFFFAOYSA-N 2 2 241.404 2.268 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000335490477 386606517 /nfs/dbraw/zinc/60/65/17/386606517.db2.gz DYJLPRNZGSLNHP-BXKDBHETSA-N 2 2 224.373 2.144 20 0 BEADLP CC[N@@H+]1CCN(c2cc[nH+]cc2Cl)[C@H](C)C1 ZINC000343246201 386608225 /nfs/dbraw/zinc/60/82/25/386608225.db2.gz DIKZXHRDUPKQQD-SNVBAGLBSA-N 2 2 239.750 2.265 20 0 BEADLP CC[N@H+]1CCN(c2cc[nH+]cc2Cl)[C@H](C)C1 ZINC000343246201 386608229 /nfs/dbraw/zinc/60/82/29/386608229.db2.gz DIKZXHRDUPKQQD-SNVBAGLBSA-N 2 2 239.750 2.265 20 0 BEADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091093 386609423 /nfs/dbraw/zinc/60/94/23/386609423.db2.gz BOOAQAHTUOMMRD-BFHYXJOUSA-N 2 2 242.407 2.025 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000414805176 386612421 /nfs/dbraw/zinc/61/24/21/386612421.db2.gz PHSFUZNXGHZSRJ-ZDUSSCGKSA-N 2 2 248.301 2.399 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ncc(CC)s1 ZINC000414806832 386613913 /nfs/dbraw/zinc/61/39/13/386613913.db2.gz BUPGXXOXNPIKSE-JTQLQIEISA-N 2 2 241.404 2.313 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC(F)F ZINC000291427218 386615334 /nfs/dbraw/zinc/61/53/34/386615334.db2.gz IVWZWMNKBUSELE-UHFFFAOYSA-N 2 2 214.259 2.177 20 0 BEADLP CC1(C)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000335521462 386660817 /nfs/dbraw/zinc/66/08/17/386660817.db2.gz YAHNOLBAEJGGLL-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414819749 386662704 /nfs/dbraw/zinc/66/27/04/386662704.db2.gz AWSWRASQMVPIQL-UHFFFAOYSA-N 2 2 247.317 2.073 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1F ZINC000414817902 386656877 /nfs/dbraw/zinc/65/68/77/386656877.db2.gz UGZHVZLKMWPDGS-GFCCVEGCSA-N 2 2 224.323 2.433 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1OC ZINC000414816584 386657188 /nfs/dbraw/zinc/65/71/88/386657188.db2.gz QDKBBYRMYFAZHZ-CYBMUJFWSA-N 2 2 236.359 2.302 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000414817987 386657330 /nfs/dbraw/zinc/65/73/30/386657330.db2.gz CEOYSDCJCHUYAE-UHFFFAOYSA-N 2 2 244.338 2.157 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccnc1 ZINC000268706996 386684016 /nfs/dbraw/zinc/68/40/16/386684016.db2.gz FAEPTFUOUJQLGW-SLEUVZQESA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccnc1 ZINC000268706996 386684021 /nfs/dbraw/zinc/68/40/21/386684021.db2.gz FAEPTFUOUJQLGW-SLEUVZQESA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414828309 386699414 /nfs/dbraw/zinc/69/94/14/386699414.db2.gz IPRNNWZJEBTTLE-RISCZKNCSA-N 2 2 218.344 2.465 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])CC(C)C)c[nH+]1 ZINC000414838989 386740776 /nfs/dbraw/zinc/74/07/76/386740776.db2.gz LFVFOMJKGSABRX-OAHLLOKOSA-N 3 2 249.402 2.286 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000336760972 386747268 /nfs/dbraw/zinc/74/72/68/386747268.db2.gz MFGQWJDRGBHRHF-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000336760972 386747276 /nfs/dbraw/zinc/74/72/76/386747276.db2.gz MFGQWJDRGBHRHF-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)c1ncc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000414842026 386747618 /nfs/dbraw/zinc/74/76/18/386747618.db2.gz IJYCKFTZRRNCSH-JTQLQIEISA-N 2 2 239.388 2.108 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000084487074 386756310 /nfs/dbraw/zinc/75/63/10/386756310.db2.gz AYGOYRXRXGUQGD-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844289 386763512 /nfs/dbraw/zinc/76/35/12/386763512.db2.gz KQRQCORUNAWQFZ-AWEZNQCLSA-N 2 2 248.370 2.099 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336761517 386764304 /nfs/dbraw/zinc/76/43/04/386764304.db2.gz NFWYAUCBICJSQZ-XQQFMLRXSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336761517 386764312 /nfs/dbraw/zinc/76/43/12/386764312.db2.gz NFWYAUCBICJSQZ-XQQFMLRXSA-N 2 2 212.381 2.493 20 0 BEADLP Fc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1Cl ZINC000414844314 386766542 /nfs/dbraw/zinc/76/65/42/386766542.db2.gz KRHSIXNCYWBTTF-SNVBAGLBSA-N 2 2 242.725 2.321 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000020247171 386790922 /nfs/dbraw/zinc/79/09/22/386790922.db2.gz MPCOHLFPTLNTCU-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000020247171 386790925 /nfs/dbraw/zinc/79/09/25/386790925.db2.gz MPCOHLFPTLNTCU-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414932105 386775598 /nfs/dbraw/zinc/77/55/98/386775598.db2.gz QSPFPGZUKLWIQF-FKZRYSJHSA-N 2 2 248.345 2.427 20 0 BEADLP CC(C)OC1CC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000428074333 386796412 /nfs/dbraw/zinc/79/64/12/386796412.db2.gz DZHPGWOZYQFVNG-GFJIZPEISA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000428074333 386796422 /nfs/dbraw/zinc/79/64/22/386796422.db2.gz DZHPGWOZYQFVNG-GFJIZPEISA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]1C ZINC000293415243 386816599 /nfs/dbraw/zinc/81/65/99/386816599.db2.gz MTTVJRTUCJZBLC-NEPJUHHUSA-N 2 2 242.326 2.108 20 0 BEADLP CN(C)c1[nH+]cc(C[NH2+][C@]2(C)CC=CCC2)n1C ZINC000398372283 386818756 /nfs/dbraw/zinc/81/87/56/386818756.db2.gz PSNWFGQNRUGCIU-CQSZACIVSA-N 2 2 248.374 2.075 20 0 BEADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336672826 386820085 /nfs/dbraw/zinc/82/00/85/386820085.db2.gz ODKNJLPGLSDVGM-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC000336671715 386820769 /nfs/dbraw/zinc/82/07/69/386820769.db2.gz HDHCQIBYRPBWSY-PGJNLMOESA-N 2 2 218.344 2.240 20 0 BEADLP Cc1ccc(C[NH2+]CC2([NH3+])CCCCC2)nc1 ZINC000414845463 386798212 /nfs/dbraw/zinc/79/82/12/386798212.db2.gz QYHRWQWCLVXOOO-UHFFFAOYSA-N 2 2 233.359 2.141 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000414935088 386802945 /nfs/dbraw/zinc/80/29/45/386802945.db2.gz UGAUVQJDDJFGHM-MFKMUULPSA-N 2 2 238.762 2.428 20 0 BEADLP CC1(C)CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000334781745 386838387 /nfs/dbraw/zinc/83/83/87/386838387.db2.gz GLIAWZQRBUOMJA-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC1(C)CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000334781745 386838390 /nfs/dbraw/zinc/83/83/90/386838390.db2.gz GLIAWZQRBUOMJA-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000341111307 386839311 /nfs/dbraw/zinc/83/93/11/386839311.db2.gz FDDZQFJWZMUNNT-GFCCVEGCSA-N 2 2 236.363 2.317 20 0 BEADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000341111307 386839315 /nfs/dbraw/zinc/83/93/15/386839315.db2.gz FDDZQFJWZMUNNT-GFCCVEGCSA-N 2 2 236.363 2.317 20 0 BEADLP COC[C@@H]1CC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000293598250 386846153 /nfs/dbraw/zinc/84/61/53/386846153.db2.gz JACFWNXZFLUKGG-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP COC[C@@H]1CC[N@H+]1CCCc1c[nH+]ccc1C ZINC000293598250 386846159 /nfs/dbraw/zinc/84/61/59/386846159.db2.gz JACFWNXZFLUKGG-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000334786497 386847536 /nfs/dbraw/zinc/84/75/36/386847536.db2.gz SQZXTUSDACWGGW-OCCSQVGLSA-N 2 2 234.318 2.155 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414938052 386857489 /nfs/dbraw/zinc/85/74/89/386857489.db2.gz VWVXPUFNWSYSSU-WFASDCNBSA-N 2 2 248.370 2.173 20 0 BEADLP Fc1ccc2oc(C[NH2+][C@H]3CCC[NH2+]C3)cc2c1 ZINC000334846529 386894333 /nfs/dbraw/zinc/89/43/33/386894333.db2.gz CCOALWCZPVASMM-LBPRGKRZSA-N 2 2 248.301 2.414 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CC[C@H]1SC)[NH+]1CCCC1 ZINC000425350786 386869929 /nfs/dbraw/zinc/86/99/29/386869929.db2.gz GCVHDBDYQLHDFS-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835404 386875787 /nfs/dbraw/zinc/87/57/87/386875787.db2.gz HXLLJLDLYVMNDL-AAEUAGOBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835404 386875789 /nfs/dbraw/zinc/87/57/89/386875789.db2.gz HXLLJLDLYVMNDL-AAEUAGOBSA-N 2 2 222.376 2.249 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000336744711 386876693 /nfs/dbraw/zinc/87/66/93/386876693.db2.gz ZVPBVWHRJHWXRE-LBPRGKRZSA-N 2 2 230.421 2.061 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1CCSC1 ZINC000336744711 386876698 /nfs/dbraw/zinc/87/66/98/386876698.db2.gz ZVPBVWHRJHWXRE-LBPRGKRZSA-N 2 2 230.421 2.061 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336744920 386883362 /nfs/dbraw/zinc/88/33/62/386883362.db2.gz AUQBULVFYCILTF-MDZLAQPJSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336744920 386883368 /nfs/dbraw/zinc/88/33/68/386883368.db2.gz AUQBULVFYCILTF-MDZLAQPJSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336744924 386883749 /nfs/dbraw/zinc/88/37/49/386883749.db2.gz AUQBULVFYCILTF-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336744924 386883757 /nfs/dbraw/zinc/88/37/57/386883757.db2.gz AUQBULVFYCILTF-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000334861784 386916349 /nfs/dbraw/zinc/91/63/49/386916349.db2.gz DKTHRCLJOUVHAE-SKDRFNHKSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(NC[C@H]2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000334847951 386896646 /nfs/dbraw/zinc/89/66/46/386896646.db2.gz HARFAFOXKQDDPK-RYUDHWBXSA-N 2 2 219.332 2.190 20 0 BEADLP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000334850883 386899976 /nfs/dbraw/zinc/89/99/76/386899976.db2.gz XRYBFKMNPFDIEK-SNVBAGLBSA-N 2 2 242.725 2.321 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358168188 386905415 /nfs/dbraw/zinc/90/54/15/386905415.db2.gz ZQRNBJLTSCFVOH-UKRRQHHQSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358168188 386905419 /nfs/dbraw/zinc/90/54/19/386905419.db2.gz ZQRNBJLTSCFVOH-UKRRQHHQSA-N 2 2 232.371 2.077 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334819753 386946517 /nfs/dbraw/zinc/94/65/17/386946517.db2.gz JHRMVKQBEATKLA-NOZJJQNGSA-N 2 2 240.297 2.195 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334867729 386925237 /nfs/dbraw/zinc/92/52/37/386925237.db2.gz HXPSOVXGODIILK-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334867729 386925241 /nfs/dbraw/zinc/92/52/41/386925241.db2.gz HXPSOVXGODIILK-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Cl)s2)CC[NH2+]1 ZINC000334867377 386926819 /nfs/dbraw/zinc/92/68/19/386926819.db2.gz DAAAQRQJDUWLOX-SFYZADRCSA-N 2 2 245.779 2.027 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334869925 386930625 /nfs/dbraw/zinc/93/06/25/386930625.db2.gz QWWFKWOCXFIBFE-LLVKDONJSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334869925 386930628 /nfs/dbraw/zinc/93/06/28/386930628.db2.gz QWWFKWOCXFIBFE-LLVKDONJSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+](C)[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302783331 386936450 /nfs/dbraw/zinc/93/64/50/386936450.db2.gz TWWKYDDBNQDQNY-GFCCVEGCSA-N 2 2 248.374 2.130 20 0 BEADLP CC[N@@H+](C)[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302783331 386936453 /nfs/dbraw/zinc/93/64/53/386936453.db2.gz TWWKYDDBNQDQNY-GFCCVEGCSA-N 2 2 248.374 2.130 20 0 BEADLP CCN(CCC[NH+]1CCCC1)c1cc(C)[nH+]cn1 ZINC000302779220 386937111 /nfs/dbraw/zinc/93/71/11/386937111.db2.gz QNWFYRZWASPRTP-UHFFFAOYSA-N 2 2 248.374 2.097 20 0 BEADLP CC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341662729 386940339 /nfs/dbraw/zinc/94/03/39/386940339.db2.gz VJIHINDCYMKKAX-YPMHNXCESA-N 2 2 220.316 2.333 20 0 BEADLP CC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000341662729 386940342 /nfs/dbraw/zinc/94/03/42/386940342.db2.gz VJIHINDCYMKKAX-YPMHNXCESA-N 2 2 220.316 2.333 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104035 386942582 /nfs/dbraw/zinc/94/25/82/386942582.db2.gz ZZWWNWKBWWRWOA-CMPLNLGQSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104035 386942585 /nfs/dbraw/zinc/94/25/85/386942585.db2.gz ZZWWNWKBWWRWOA-CMPLNLGQSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CC[C@]2(CC[N@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890102 386962567 /nfs/dbraw/zinc/96/25/67/386962567.db2.gz MSJUVDAKKWLQKF-KGLIPLIRSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@@H]1CC[C@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890102 386962569 /nfs/dbraw/zinc/96/25/69/386962569.db2.gz MSJUVDAKKWLQKF-KGLIPLIRSA-N 2 2 233.359 2.395 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000425353506 386964429 /nfs/dbraw/zinc/96/44/29/386964429.db2.gz IRXUVKFDFISTBI-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000425361475 386981468 /nfs/dbraw/zinc/98/14/68/386981468.db2.gz SIMCIEPILZVVEB-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000425361475 386981474 /nfs/dbraw/zinc/98/14/74/386981474.db2.gz SIMCIEPILZVVEB-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000425361477 386983196 /nfs/dbraw/zinc/98/31/96/386983196.db2.gz SIMCIEPILZVVEB-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000425361477 386983199 /nfs/dbraw/zinc/98/31/99/386983199.db2.gz SIMCIEPILZVVEB-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@H+](C[C@@H](C)[NH3+])CC2 ZINC000334967702 387051530 /nfs/dbraw/zinc/05/15/30/387051530.db2.gz JHQNMKFIVJYJTR-GFCCVEGCSA-N 2 2 218.344 2.009 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H](C)[NH3+])CC2 ZINC000334967702 387051533 /nfs/dbraw/zinc/05/15/33/387051533.db2.gz JHQNMKFIVJYJTR-GFCCVEGCSA-N 2 2 218.344 2.009 20 0 BEADLP C[N@H+](CC[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000334971578 387056963 /nfs/dbraw/zinc/05/69/63/387056963.db2.gz JTBGKXIVGCQVBG-CYBMUJFWSA-N 2 2 222.307 2.094 20 0 BEADLP C[N@@H+](CC[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000334971578 387056965 /nfs/dbraw/zinc/05/69/65/387056965.db2.gz JTBGKXIVGCQVBG-CYBMUJFWSA-N 2 2 222.307 2.094 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000126818256 387057286 /nfs/dbraw/zinc/05/72/86/387057286.db2.gz NXTFQYOMJFYCBF-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000126818256 387057287 /nfs/dbraw/zinc/05/72/87/387057287.db2.gz NXTFQYOMJFYCBF-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP F[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000336222824 387062607 /nfs/dbraw/zinc/06/26/07/387062607.db2.gz OIBQLGVLZGKHAC-CYBMUJFWSA-N 2 2 245.301 2.416 20 0 BEADLP F[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000336222824 387062609 /nfs/dbraw/zinc/06/26/09/387062609.db2.gz OIBQLGVLZGKHAC-CYBMUJFWSA-N 2 2 245.301 2.416 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000425371589 387011298 /nfs/dbraw/zinc/01/12/98/387011298.db2.gz QLGULUIDRLHYBJ-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000425371589 387011304 /nfs/dbraw/zinc/01/13/04/387011304.db2.gz QLGULUIDRLHYBJ-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C)C2)cc1 ZINC000053201468 387020024 /nfs/dbraw/zinc/02/00/24/387020024.db2.gz XUOOVHJWZAEYPW-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH2+]C)C2)cc1 ZINC000053201468 387020028 /nfs/dbraw/zinc/02/00/28/387020028.db2.gz XUOOVHJWZAEYPW-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2cccc(C)c2C)C1 ZINC000053201872 387020951 /nfs/dbraw/zinc/02/09/51/387020951.db2.gz XOMNXCOBCDNJGP-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000053201872 387020957 /nfs/dbraw/zinc/02/09/57/387020957.db2.gz XOMNXCOBCDNJGP-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C/C(Cl)=C/C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528389628 387026221 /nfs/dbraw/zinc/02/62/21/387026221.db2.gz UIFDKDRHYFXHED-HUMZTAOYSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C/C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528389628 387026225 /nfs/dbraw/zinc/02/62/25/387026225.db2.gz UIFDKDRHYFXHED-HUMZTAOYSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C/C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000528389628 387026228 /nfs/dbraw/zinc/02/62/28/387026228.db2.gz UIFDKDRHYFXHED-HUMZTAOYSA-N 2 2 230.783 2.403 20 0 BEADLP C/C(Cl)=C/C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000528389628 387026230 /nfs/dbraw/zinc/02/62/30/387026230.db2.gz UIFDKDRHYFXHED-HUMZTAOYSA-N 2 2 230.783 2.403 20 0 BEADLP [NH3+][C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1F ZINC000334983794 387071393 /nfs/dbraw/zinc/07/13/93/387071393.db2.gz PTBZHAVTAJLAIE-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1F ZINC000334983794 387071397 /nfs/dbraw/zinc/07/13/97/387071397.db2.gz PTBZHAVTAJLAIE-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000070893228 387077932 /nfs/dbraw/zinc/07/79/32/387077932.db2.gz IHOCYWPFIRXXGF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000070893228 387077934 /nfs/dbraw/zinc/07/79/34/387077934.db2.gz IHOCYWPFIRXXGF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000334991215 387081241 /nfs/dbraw/zinc/08/12/41/387081241.db2.gz BZJYMACJTOVLQW-OCCSQVGLSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000334991215 387081246 /nfs/dbraw/zinc/08/12/46/387081246.db2.gz BZJYMACJTOVLQW-OCCSQVGLSA-N 2 2 249.358 2.120 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000335007563 387102813 /nfs/dbraw/zinc/10/28/13/387102813.db2.gz QPWHZLYSWWYNID-YPMHNXCESA-N 2 2 208.349 2.074 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CCSCC2)C[N@@H+]1C1CC1 ZINC000129882921 387104224 /nfs/dbraw/zinc/10/42/24/387104224.db2.gz NHGHDEFPKJCPBF-CMPLNLGQSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2CCSCC2)C[N@H+]1C1CC1 ZINC000129882921 387104229 /nfs/dbraw/zinc/10/42/29/387104229.db2.gz NHGHDEFPKJCPBF-CMPLNLGQSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)C[N@@H+]1C1CC1 ZINC000129882654 387105275 /nfs/dbraw/zinc/10/52/75/387105275.db2.gz NHGHDEFPKJCPBF-ZYHUDNBSSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)C[N@H+]1C1CC1 ZINC000129882654 387105280 /nfs/dbraw/zinc/10/52/80/387105280.db2.gz NHGHDEFPKJCPBF-ZYHUDNBSSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000335028037 387120738 /nfs/dbraw/zinc/12/07/38/387120738.db2.gz RUUCECJVBGJKRS-SCZZXKLOSA-N 2 2 242.725 2.492 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321341865 387121356 /nfs/dbraw/zinc/12/13/56/387121356.db2.gz BMXOJSYYQCZMAQ-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336767180 387121869 /nfs/dbraw/zinc/12/18/69/387121869.db2.gz SIWGWWPVWWXBGC-SRVKXCTJSA-N 2 2 230.421 2.058 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767180 387121875 /nfs/dbraw/zinc/12/18/75/387121875.db2.gz SIWGWWPVWWXBGC-SRVKXCTJSA-N 2 2 230.421 2.058 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336767179 387122247 /nfs/dbraw/zinc/12/22/47/387122247.db2.gz SIWGWWPVWWXBGC-SDDRHHMPSA-N 2 2 230.421 2.058 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336767179 387122250 /nfs/dbraw/zinc/12/22/50/387122250.db2.gz SIWGWWPVWWXBGC-SDDRHHMPSA-N 2 2 230.421 2.058 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000335028749 387123242 /nfs/dbraw/zinc/12/32/42/387123242.db2.gz USOQIUOWKUJVDO-HIFRSBDPSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCSC1 ZINC000186738534 387128251 /nfs/dbraw/zinc/12/82/51/387128251.db2.gz OOBNIEBEBMSNMN-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000370590559 387129952 /nfs/dbraw/zinc/12/99/52/387129952.db2.gz WYJREKFIHYRVOI-DZGCQCFKSA-N 2 2 247.386 2.259 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000334980907 387068481 /nfs/dbraw/zinc/06/84/81/387068481.db2.gz QTUWQOWIWPBGDH-BXUZGUMPSA-N 2 2 218.344 2.028 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000334980907 387068485 /nfs/dbraw/zinc/06/84/85/387068485.db2.gz QTUWQOWIWPBGDH-BXUZGUMPSA-N 2 2 218.344 2.028 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423307534 387143132 /nfs/dbraw/zinc/14/31/32/387143132.db2.gz GYSLHRLBLODFNC-OAHLLOKOSA-N 2 2 248.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000336319200 387143277 /nfs/dbraw/zinc/14/32/77/387143277.db2.gz VBFZIZPCHDOVII-AAEUAGOBSA-N 2 2 233.359 2.366 20 0 BEADLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1Cl ZINC000423309345 387145318 /nfs/dbraw/zinc/14/53/18/387145318.db2.gz ZEPSTOVRFZIPAN-MRVPVSSYSA-N 2 2 242.725 2.349 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423312931 387151000 /nfs/dbraw/zinc/15/10/00/387151000.db2.gz SXRMBHBUIKNEJN-CQSZACIVSA-N 2 2 248.370 2.272 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2occc21 ZINC000423314885 387154966 /nfs/dbraw/zinc/15/49/66/387154966.db2.gz WSMKKDHRGFZLFC-GFCCVEGCSA-N 2 2 222.332 2.246 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1F ZINC000423315126 387155296 /nfs/dbraw/zinc/15/52/96/387155296.db2.gz ILDDEDINMMQHLA-ZANVPECISA-N 2 2 222.307 2.214 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000423316895 387157751 /nfs/dbraw/zinc/15/77/51/387157751.db2.gz YJIXQDQSPCSDHX-LBPRGKRZSA-N 2 2 236.359 2.345 20 0 BEADLP COc1cccc2cc([C@H](C)[NH2+][C@H](C)C[NH3+])oc21 ZINC000423318216 387158402 /nfs/dbraw/zinc/15/84/02/387158402.db2.gz DAVCCACEUVSAFF-ZJUUUORDSA-N 2 2 248.326 2.439 20 0 BEADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[NH2+]CCOC ZINC000423330065 387173102 /nfs/dbraw/zinc/17/31/02/387173102.db2.gz LUZPKBACFWIEQJ-MJBXVCDLSA-N 2 2 242.407 2.027 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250928461 387176849 /nfs/dbraw/zinc/17/68/49/387176849.db2.gz YYPIHERSMSZZBQ-OCCSQVGLSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250928461 387176853 /nfs/dbraw/zinc/17/68/53/387176853.db2.gz YYPIHERSMSZZBQ-OCCSQVGLSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250928458 387177833 /nfs/dbraw/zinc/17/78/33/387177833.db2.gz YYPIHERSMSZZBQ-JSGCOSHPSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000250928458 387177837 /nfs/dbraw/zinc/17/78/37/387177837.db2.gz YYPIHERSMSZZBQ-JSGCOSHPSA-N 2 2 231.343 2.429 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000423334709 387180188 /nfs/dbraw/zinc/18/01/88/387180188.db2.gz SLBKJWKMJSKOGU-RKDXNWHRSA-N 2 2 239.388 2.020 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(F)c1F ZINC000423337394 387185292 /nfs/dbraw/zinc/18/52/92/387185292.db2.gz VLUNWPQGVLKGRT-VIFPVBQESA-N 2 2 240.297 2.497 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cn1 ZINC000423338268 387187804 /nfs/dbraw/zinc/18/78/04/387187804.db2.gz VXWAVNGOLYOFCG-SECBINFHSA-N 2 2 239.750 2.267 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423340175 387187859 /nfs/dbraw/zinc/18/78/59/387187859.db2.gz XEXDYGMXZWEACC-PRHODGIISA-N 2 2 228.286 2.353 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cn1 ZINC000423338270 387188480 /nfs/dbraw/zinc/18/84/80/387188480.db2.gz VXWAVNGOLYOFCG-VIFPVBQESA-N 2 2 239.750 2.267 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cncc(F)c1 ZINC000423301468 387134590 /nfs/dbraw/zinc/13/45/90/387134590.db2.gz TVEKAFJFEKTAMZ-ZWNOBZJWSA-N 2 2 239.338 2.389 20 0 BEADLP CO[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445974 387204755 /nfs/dbraw/zinc/20/47/55/387204755.db2.gz FAIZTIHFAKBTHB-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CO[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445974 387204757 /nfs/dbraw/zinc/20/47/57/387204757.db2.gz FAIZTIHFAKBTHB-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000571914993 387205310 /nfs/dbraw/zinc/20/53/10/387205310.db2.gz ABFQACDHMQYXNC-HUUCEWRRSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1F ZINC000423353981 387205712 /nfs/dbraw/zinc/20/57/12/387205712.db2.gz CJBWASABEYVLTH-UHIISALHSA-N 2 2 236.334 2.474 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccncc1 ZINC000423363290 387216309 /nfs/dbraw/zinc/21/63/09/387216309.db2.gz NWFNCGSCNBHPCP-KWCYVHTRSA-N 2 2 233.359 2.120 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423368340 387220778 /nfs/dbraw/zinc/22/07/78/387220778.db2.gz RVQMFBBTBOJFLJ-OBJOEFQTSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423369180 387220814 /nfs/dbraw/zinc/22/08/14/387220814.db2.gz SOMNCQPNKQDWIX-DYEKYZERSA-N 2 2 218.344 2.335 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(F)c1 ZINC000423368546 387221967 /nfs/dbraw/zinc/22/19/67/387221967.db2.gz RZBFLXNCLPLAMY-COPLHBTASA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]1CCCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000187961401 387223823 /nfs/dbraw/zinc/22/38/23/387223823.db2.gz VGZKJEKVBCHGKT-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@H]1CCCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000187961401 387223828 /nfs/dbraw/zinc/22/38/28/387223828.db2.gz VGZKJEKVBCHGKT-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)n1 ZINC000643497125 387226188 /nfs/dbraw/zinc/22/61/88/387226188.db2.gz YZBJZQGWPIDMIB-CHWSQXEVSA-N 2 2 233.359 2.101 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423371792 387226408 /nfs/dbraw/zinc/22/64/08/387226408.db2.gz FTVVYPXFLNWGNY-GHMZBOCLSA-N 2 2 222.332 2.041 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])s1 ZINC000423371463 387226675 /nfs/dbraw/zinc/22/66/75/387226675.db2.gz QOQNKXBPHPUIBP-JGVFFNPUSA-N 2 2 227.377 2.012 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccncc1 ZINC000423372288 387226692 /nfs/dbraw/zinc/22/66/92/387226692.db2.gz AYKPBJQKWVYGMH-DGCLKSJQSA-N 2 2 221.348 2.120 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423373028 387227980 /nfs/dbraw/zinc/22/79/80/387227980.db2.gz GUAWJBIOIQTQRM-VXGBXAGGSA-N 2 2 236.359 2.344 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000423403075 387237206 /nfs/dbraw/zinc/23/72/06/387237206.db2.gz YBUVAEVOPJPIOJ-OUAUKWLOSA-N 2 2 208.305 2.071 20 0 BEADLP Cc1occc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336419665 387246383 /nfs/dbraw/zinc/24/63/83/387246383.db2.gz IVFRWMDSHGHLNQ-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336419665 387246385 /nfs/dbraw/zinc/24/63/85/387246385.db2.gz IVFRWMDSHGHLNQ-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000336419665 387246388 /nfs/dbraw/zinc/24/63/88/387246388.db2.gz IVFRWMDSHGHLNQ-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000336419665 387246391 /nfs/dbraw/zinc/24/63/91/387246391.db2.gz IVFRWMDSHGHLNQ-FZMZJTMJSA-N 2 2 236.359 2.360 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CCCO1 ZINC000063074096 387247885 /nfs/dbraw/zinc/24/78/85/387247885.db2.gz AEORBYSNRBZWGE-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CCCO1 ZINC000063074096 387247891 /nfs/dbraw/zinc/24/78/91/387247891.db2.gz AEORBYSNRBZWGE-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353654571 387250133 /nfs/dbraw/zinc/25/01/33/387250133.db2.gz VWRHGQCZYGHXLP-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP CO[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353654571 387250136 /nfs/dbraw/zinc/25/01/36/387250136.db2.gz VWRHGQCZYGHXLP-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423463095 387310561 /nfs/dbraw/zinc/31/05/61/387310561.db2.gz LBYHBQIDRGIBEB-DGCLKSJQSA-N 2 2 234.343 2.227 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423467888 387315764 /nfs/dbraw/zinc/31/57/64/387315764.db2.gz OEBFGUSHTGDKET-OCCSQVGLSA-N 2 2 235.375 2.496 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccs1 ZINC000423374507 387254670 /nfs/dbraw/zinc/25/46/70/387254670.db2.gz XBBYZSCPYVAMCK-OUAUKWLOSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000120557978 387255658 /nfs/dbraw/zinc/25/56/58/387255658.db2.gz RJRXLWNUIJSZSZ-DOMZBBRYSA-N 2 2 245.370 2.044 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423379331 387259628 /nfs/dbraw/zinc/25/96/28/387259628.db2.gz XEXDYGMXZWEACC-UFBFGSQYSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000423388948 387274595 /nfs/dbraw/zinc/27/45/95/387274595.db2.gz UOZCXCHRYLAFBX-YWVKMMECSA-N 2 2 239.388 2.243 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000423441217 387290570 /nfs/dbraw/zinc/29/05/70/387290570.db2.gz BCAZLEUUGYFZEG-ZJUUUORDSA-N 2 2 240.322 2.222 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423439535 387291179 /nfs/dbraw/zinc/29/11/79/387291179.db2.gz ADTPMUWRDORRGD-PELKAZGASA-N 2 2 240.297 2.279 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCO2)c[nH+]1 ZINC000353915029 387297152 /nfs/dbraw/zinc/29/71/52/387297152.db2.gz MAOHZOQHIRUPCT-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000162042079 387297886 /nfs/dbraw/zinc/29/78/86/387297886.db2.gz IHVJUMOYRROTFV-MRVPVSSYSA-N 2 2 232.249 2.142 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423451815 387299026 /nfs/dbraw/zinc/29/90/26/387299026.db2.gz VLGHSABKAOYBDJ-VGMNWLOBSA-N 2 2 228.361 2.143 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1C ZINC000321770528 387302846 /nfs/dbraw/zinc/30/28/46/387302846.db2.gz FIQXDQICXYVYLR-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1nc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cs1 ZINC000643452649 387303056 /nfs/dbraw/zinc/30/30/56/387303056.db2.gz WDJCNABWKBPXKU-VXGBXAGGSA-N 2 2 239.388 2.201 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423456118 387303199 /nfs/dbraw/zinc/30/31/99/387303199.db2.gz DFCRTGHBDWSUPG-GXSJLCMTSA-N 2 2 210.321 2.284 20 0 BEADLP Cc1nc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cs1 ZINC000643452646 387304759 /nfs/dbraw/zinc/30/47/59/387304759.db2.gz WDJCNABWKBPXKU-NEPJUHHUSA-N 2 2 239.388 2.201 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501753 387354284 /nfs/dbraw/zinc/35/42/84/387354284.db2.gz PHKBGHHAONKCNC-OLZOCXBDSA-N 2 2 233.359 2.183 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000643501437 387354636 /nfs/dbraw/zinc/35/46/36/387354636.db2.gz GRWFNPRWGUFGSI-GXSJLCMTSA-N 2 2 239.388 2.244 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423523842 387356145 /nfs/dbraw/zinc/35/61/45/387356145.db2.gz NTKULHLYFHIGJQ-LSDHHAIUSA-N 2 2 248.370 2.106 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643502931 387365580 /nfs/dbraw/zinc/36/55/80/387365580.db2.gz VHNGARGWIWAKRJ-UONOGXRCSA-N 2 2 233.359 2.264 20 0 BEADLP CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423543415 387367895 /nfs/dbraw/zinc/36/78/95/387367895.db2.gz HGCGPWSBAATZJJ-GJZGRUSLSA-N 2 2 247.386 2.319 20 0 BEADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cn1 ZINC000423567132 387378110 /nfs/dbraw/zinc/37/81/10/387378110.db2.gz UURSLQUCLONUKS-JTQLQIEISA-N 2 2 237.322 2.013 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423484833 387330599 /nfs/dbraw/zinc/33/05/99/387330599.db2.gz YXTJOWAZFQMBCB-WPRPVWTQSA-N 2 2 228.286 2.353 20 0 BEADLP C[C@H]1CC(C)(C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000515069880 387330761 /nfs/dbraw/zinc/33/07/61/387330761.db2.gz RCKJLFDNPSPMLL-LBPRGKRZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CC(C)(C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000515069880 387330762 /nfs/dbraw/zinc/33/07/62/387330762.db2.gz RCKJLFDNPSPMLL-LBPRGKRZSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1ccc(CCC[NH2+]CC2CCOCC2)c[nH+]1 ZINC000354133532 387333713 /nfs/dbraw/zinc/33/37/13/387333713.db2.gz GWRLPCTVNARATO-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1Cl ZINC000235096671 387336880 /nfs/dbraw/zinc/33/68/80/387336880.db2.gz OMQLTOPIIIIVIW-DTWKUNHWSA-N 2 2 212.724 2.338 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)[C@@H]1C[C@H]1C ZINC000321997157 387345352 /nfs/dbraw/zinc/34/53/52/387345352.db2.gz FYZXLPTXSDYPEQ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)[C@@H]1C[C@H]1C ZINC000321997157 387345355 /nfs/dbraw/zinc/34/53/55/387345355.db2.gz FYZXLPTXSDYPEQ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](O)CC1 ZINC000354750979 387428156 /nfs/dbraw/zinc/42/81/56/387428156.db2.gz XAFLVTKPUJQMRD-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](O)CC1 ZINC000354750979 387428158 /nfs/dbraw/zinc/42/81/58/387428158.db2.gz XAFLVTKPUJQMRD-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000084517102 387452050 /nfs/dbraw/zinc/45/20/50/387452050.db2.gz SFDQGGHLTCLVGS-OAHLLOKOSA-N 2 2 232.371 2.453 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000516089188 387456889 /nfs/dbraw/zinc/45/68/89/387456889.db2.gz VNWYFSDFPCEHGF-UHFFFAOYSA-N 2 2 240.297 2.147 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCCOCC2)c[nH+]1 ZINC000354539204 387392342 /nfs/dbraw/zinc/39/23/42/387392342.db2.gz IJEGKPQGVZHLCV-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@H](C)C2)c[nH+]1 ZINC000354561264 387396312 /nfs/dbraw/zinc/39/63/12/387396312.db2.gz BBABIRHBUMBBJB-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP C/C=C/C[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354654399 387411938 /nfs/dbraw/zinc/41/19/38/387411938.db2.gz FSXRESOVJBQJHU-BWPKMQGJSA-N 2 2 248.370 2.239 20 0 BEADLP Cc1[nH+]ccn1Cc1ccc(C)[nH+]c1C ZINC000336589238 387413965 /nfs/dbraw/zinc/41/39/65/387413965.db2.gz PRNHBSXBBZBDFC-UHFFFAOYSA-N 2 2 201.273 2.252 20 0 BEADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000643508854 387500156 /nfs/dbraw/zinc/50/01/56/387500156.db2.gz JAPOXYAENZSWBM-IINYFYTJSA-N 2 2 244.342 2.069 20 0 BEADLP Cc1cc(NCCCCn2cc[nH+]c2)cc[nH+]1 ZINC000162751421 387514428 /nfs/dbraw/zinc/51/44/28/387514428.db2.gz UOJDFJMMNDIHNU-UHFFFAOYSA-N 2 2 230.315 2.479 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375270701 387522236 /nfs/dbraw/zinc/52/22/36/387522236.db2.gz WPBNIGVHOCPQGN-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000527220054 387535197 /nfs/dbraw/zinc/53/51/97/387535197.db2.gz RQXBENSFSZHNFW-NEPJUHHUSA-N 2 2 237.322 2.268 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000643506127 387465658 /nfs/dbraw/zinc/46/56/58/387465658.db2.gz LILWHZFEXMNJHY-VIFPVBQESA-N 2 2 240.297 2.367 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000516182673 387468060 /nfs/dbraw/zinc/46/80/60/387468060.db2.gz HVCTULPKNLVCFN-GXTWGEPZSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+]CC[NH2+]C1CC1 ZINC000643507590 387477118 /nfs/dbraw/zinc/47/71/18/387477118.db2.gz JVOFHKOMBGNIRG-LLVKDONJSA-N 2 2 236.334 2.098 20 0 BEADLP Cc1occc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000643472148 387485763 /nfs/dbraw/zinc/48/57/63/387485763.db2.gz ABPVZOIXJSYTFP-OLZOCXBDSA-N 2 2 222.332 2.338 20 0 BEADLP CO[C@H]1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000355142384 387488021 /nfs/dbraw/zinc/48/80/21/387488021.db2.gz XZODDLWADMNTCZ-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000211644084 387587644 /nfs/dbraw/zinc/58/76/44/387587644.db2.gz DHSZFVKSSQZHKE-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000211644084 387587647 /nfs/dbraw/zinc/58/76/47/387587647.db2.gz DHSZFVKSSQZHKE-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000643511208 387591362 /nfs/dbraw/zinc/59/13/62/387591362.db2.gz QAINGAXJOWVZLV-KOLCDFICSA-N 2 2 241.404 2.476 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528759242 387591950 /nfs/dbraw/zinc/59/19/50/387591950.db2.gz NIXRSQFNWFSGRH-CXTNEJHOSA-N 2 2 248.370 2.334 20 0 BEADLP COc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422558995 387601148 /nfs/dbraw/zinc/60/11/48/387601148.db2.gz BVFZKCVBZLWGHZ-UHFFFAOYSA-N 2 2 246.354 2.023 20 0 BEADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1c(F)cccc1F ZINC000422715641 387629055 /nfs/dbraw/zinc/62/90/55/387629055.db2.gz STGAPUXMEJTGQJ-RKDXNWHRSA-N 2 2 240.297 2.223 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)n2)C1 ZINC000362396622 387607935 /nfs/dbraw/zinc/60/79/35/387607935.db2.gz AZPAFFGITVBIGX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C)n2)C1 ZINC000362396622 387607938 /nfs/dbraw/zinc/60/79/38/387607938.db2.gz AZPAFFGITVBIGX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000362396622 387607941 /nfs/dbraw/zinc/60/79/41/387607941.db2.gz AZPAFFGITVBIGX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000362396622 387607947 /nfs/dbraw/zinc/60/79/47/387607947.db2.gz AZPAFFGITVBIGX-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CCc1nc([C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+])cs1 ZINC000422701833 387617522 /nfs/dbraw/zinc/61/75/22/387617522.db2.gz CREIKZZTYKKIQU-GUBZILKMSA-N 2 2 241.404 2.482 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430593103 387629526 /nfs/dbraw/zinc/62/95/26/387629526.db2.gz DDPJCMFQLQAVTR-MCIONIFRSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430593103 387629528 /nfs/dbraw/zinc/62/95/28/387629528.db2.gz DDPJCMFQLQAVTR-MCIONIFRSA-N 2 2 240.391 2.005 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOC1CCCCCC1 ZINC000430540182 387626060 /nfs/dbraw/zinc/62/60/60/387626060.db2.gz GPZPFZREDTZSAY-CYBMUJFWSA-N 2 2 240.391 2.149 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1CCOC1CCCCCC1 ZINC000430540182 387626062 /nfs/dbraw/zinc/62/60/62/387626062.db2.gz GPZPFZREDTZSAY-CYBMUJFWSA-N 2 2 240.391 2.149 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000376430206 387630567 /nfs/dbraw/zinc/63/05/67/387630567.db2.gz XCZKWUUSPMETOV-LBPRGKRZSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000376430206 387630589 /nfs/dbraw/zinc/63/05/89/387630589.db2.gz XCZKWUUSPMETOV-LBPRGKRZSA-N 2 2 219.332 2.010 20 0 BEADLP CCc1noc(C)c1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430580532 387630771 /nfs/dbraw/zinc/63/07/71/387630771.db2.gz HWNXUWJGHIBWQQ-CYBMUJFWSA-N 2 2 239.363 2.008 20 0 BEADLP COc1ccc([C@H]([NH2+]C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422738803 387645667 /nfs/dbraw/zinc/64/56/67/387645667.db2.gz ZMJPNAXJOQSRPK-CABCVRRESA-N 2 2 246.354 2.240 20 0 BEADLP CO[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745996 387648165 /nfs/dbraw/zinc/64/81/65/387648165.db2.gz YSBDBLDCHHFDCZ-QEJZJMRPSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CC2([NH3+])CCC2)c(C)s1 ZINC000643517819 387652434 /nfs/dbraw/zinc/65/24/34/387652434.db2.gz DDQNRIWGEDHXPY-QMMMGPOBSA-N 2 2 239.388 2.292 20 0 BEADLP C/C=C/C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623739307 387659968 /nfs/dbraw/zinc/65/99/68/387659968.db2.gz QGBGZKRTJNXTPZ-NSCUHMNNSA-N 2 2 201.273 2.000 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356521772 387669089 /nfs/dbraw/zinc/66/90/89/387669089.db2.gz KIUYAZMTRBURGF-CHWSQXEVSA-N 2 2 236.359 2.336 20 0 BEADLP CC[C@@H]([NH2+]Cc1cccc(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422773709 387669891 /nfs/dbraw/zinc/66/98/91/387669891.db2.gz URHWRDKHLLMLRO-CABCVRRESA-N 2 2 248.370 2.315 20 0 BEADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422777065 387674472 /nfs/dbraw/zinc/67/44/72/387674472.db2.gz FBYPHVZHLJJTBY-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527722275 387677470 /nfs/dbraw/zinc/67/74/70/387677470.db2.gz TVRDTTRPVNBKSP-WXHSDQCUSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000126487195 387685180 /nfs/dbraw/zinc/68/51/80/387685180.db2.gz IJCGIPFSZWGPGO-NWDGAFQWSA-N 2 2 222.332 2.018 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000126487195 387685183 /nfs/dbraw/zinc/68/51/83/387685183.db2.gz IJCGIPFSZWGPGO-NWDGAFQWSA-N 2 2 222.332 2.018 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694797 387687049 /nfs/dbraw/zinc/68/70/49/387687049.db2.gz KYGFRFWNGDLPPO-PYJNHQTQSA-N 2 2 245.370 2.222 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@@H+]1C1CC1 ZINC000527750676 387691765 /nfs/dbraw/zinc/69/17/65/387691765.db2.gz NIHQIQFYBGDWDH-YPMHNXCESA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@H+]1C1CC1 ZINC000527750676 387691771 /nfs/dbraw/zinc/69/17/71/387691771.db2.gz NIHQIQFYBGDWDH-YPMHNXCESA-N 2 2 220.360 2.167 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](F)CC)C1 ZINC000440777846 387693815 /nfs/dbraw/zinc/69/38/15/387693815.db2.gz XRHNNRFHGLTIIG-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](F)CC)C1 ZINC000440777846 387693819 /nfs/dbraw/zinc/69/38/19/387693819.db2.gz XRHNNRFHGLTIIG-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC000440777846 387693822 /nfs/dbraw/zinc/69/38/22/387693822.db2.gz XRHNNRFHGLTIIG-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](F)CC)C1 ZINC000440777846 387693826 /nfs/dbraw/zinc/69/38/26/387693826.db2.gz XRHNNRFHGLTIIG-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000422863220 387746736 /nfs/dbraw/zinc/74/67/36/387746736.db2.gz RIGUGBUBGTXSBT-GARJFASQSA-N 2 2 239.388 2.182 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527844480 387752406 /nfs/dbraw/zinc/75/24/06/387752406.db2.gz ARTDXQJXJODLAG-IJLUTSLNSA-N 2 2 219.332 2.050 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527844482 387753459 /nfs/dbraw/zinc/75/34/59/387753459.db2.gz ARTDXQJXJODLAG-WOPDTQHZSA-N 2 2 219.332 2.050 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000440783607 387697106 /nfs/dbraw/zinc/69/71/06/387697106.db2.gz LNMDZCWADJNYLX-OLZOCXBDSA-N 2 2 239.338 2.404 20 0 BEADLP CC[C@@H](F)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000440783607 387697110 /nfs/dbraw/zinc/69/71/10/387697110.db2.gz LNMDZCWADJNYLX-OLZOCXBDSA-N 2 2 239.338 2.404 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000440778958 387697585 /nfs/dbraw/zinc/69/75/85/387697585.db2.gz MEHXEORNZUWJOD-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000440778958 387697589 /nfs/dbraw/zinc/69/75/89/387697589.db2.gz MEHXEORNZUWJOD-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000440778958 387697591 /nfs/dbraw/zinc/69/75/91/387697591.db2.gz MEHXEORNZUWJOD-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000440778958 387697595 /nfs/dbraw/zinc/69/75/95/387697595.db2.gz MEHXEORNZUWJOD-NEPJUHHUSA-N 2 2 216.344 2.008 20 0 BEADLP C[C@H]([NH2+]Cc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422799887 387698790 /nfs/dbraw/zinc/69/87/90/387698790.db2.gz AFTHAJJKLZNXFZ-ZANVPECISA-N 2 2 240.297 2.195 20 0 BEADLP CC[C@H](F)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000440792222 387702739 /nfs/dbraw/zinc/70/27/39/387702739.db2.gz ROIQGJDPMWYPRK-SRVKXCTJSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000440792222 387702742 /nfs/dbraw/zinc/70/27/42/387702742.db2.gz ROIQGJDPMWYPRK-SRVKXCTJSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000440792222 387702745 /nfs/dbraw/zinc/70/27/45/387702745.db2.gz ROIQGJDPMWYPRK-SRVKXCTJSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000440792222 387702749 /nfs/dbraw/zinc/70/27/49/387702749.db2.gz ROIQGJDPMWYPRK-SRVKXCTJSA-N 2 2 216.344 2.149 20 0 BEADLP CCOc1ccccc1C[N@H+](C)CCC[NH2+]C ZINC000127138483 387705564 /nfs/dbraw/zinc/70/55/64/387705564.db2.gz PRHLBXUNSJTUQL-UHFFFAOYSA-N 2 2 236.359 2.127 20 0 BEADLP CCOc1ccccc1C[N@@H+](C)CCC[NH2+]C ZINC000127138483 387705572 /nfs/dbraw/zinc/70/55/72/387705572.db2.gz PRHLBXUNSJTUQL-UHFFFAOYSA-N 2 2 236.359 2.127 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)CS1 ZINC000418115637 387708955 /nfs/dbraw/zinc/70/89/55/387708955.db2.gz PNFGUPNYMKWURX-RYUDHWBXSA-N 2 2 242.432 2.200 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000643521131 387709848 /nfs/dbraw/zinc/70/98/48/387709848.db2.gz FZMFPHLYKMEXAA-WCABBAIRSA-N 2 2 239.388 2.100 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643521199 387711075 /nfs/dbraw/zinc/71/10/75/387711075.db2.gz SCHJXUFBLDXUFW-XBFCOCLRSA-N 2 2 245.370 2.047 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000643526063 387755213 /nfs/dbraw/zinc/75/52/13/387755213.db2.gz OKSBKHMHNLPSAE-KWQFWETISA-N 2 2 240.347 2.299 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)C1CC1 ZINC000163527455 387711716 /nfs/dbraw/zinc/71/17/16/387711716.db2.gz MKTUWCUCDQKRLL-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)C1CC1 ZINC000163527455 387711719 /nfs/dbraw/zinc/71/17/19/387711719.db2.gz MKTUWCUCDQKRLL-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527788921 387714759 /nfs/dbraw/zinc/71/47/59/387714759.db2.gz MCDGTHXMMAFBHS-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527788921 387714764 /nfs/dbraw/zinc/71/47/64/387714764.db2.gz MCDGTHXMMAFBHS-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000643526064 387755585 /nfs/dbraw/zinc/75/55/85/387755585.db2.gz OKSBKHMHNLPSAE-LDYMZIIASA-N 2 2 240.347 2.299 20 0 BEADLP c1cn(CCC[N@@H+]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000377589438 387731235 /nfs/dbraw/zinc/73/12/35/387731235.db2.gz GZBYFCVPFNWCOW-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@H+]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000377589438 387731241 /nfs/dbraw/zinc/73/12/41/387731241.db2.gz GZBYFCVPFNWCOW-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP CCC[C@H](C)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000377624621 387732839 /nfs/dbraw/zinc/73/28/39/387732839.db2.gz LBUBHNHHDVDLBO-LBPRGKRZSA-N 2 2 210.365 2.203 20 0 BEADLP CCC[C@H](C)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000377624621 387732844 /nfs/dbraw/zinc/73/28/44/387732844.db2.gz LBUBHNHHDVDLBO-LBPRGKRZSA-N 2 2 210.365 2.203 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000129065544 387762032 /nfs/dbraw/zinc/76/20/32/387762032.db2.gz MIOQOVSAGGEUSU-AWEZNQCLSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000129065544 387762036 /nfs/dbraw/zinc/76/20/36/387762036.db2.gz MIOQOVSAGGEUSU-AWEZNQCLSA-N 2 2 248.345 2.460 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc2ccccc2n1 ZINC000643528308 387767843 /nfs/dbraw/zinc/76/78/43/387767843.db2.gz GTVILBYZXBIQQE-WDEREUQCSA-N 2 2 229.327 2.233 20 0 BEADLP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422908668 387768919 /nfs/dbraw/zinc/76/89/19/387768919.db2.gz DOGMRPUZTIQPHY-KGLIPLIRSA-N 2 2 234.343 2.098 20 0 BEADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)[NH3+])CCCO2 ZINC000643528525 387770275 /nfs/dbraw/zinc/77/02/75/387770275.db2.gz KNQYWDRQTZZNAQ-TZMCWYRMSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)c(Cl)c1 ZINC000643528511 387770423 /nfs/dbraw/zinc/77/04/23/387770423.db2.gz KJFHOPFLSZINSW-JGVFFNPUSA-N 2 2 230.714 2.477 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1F ZINC000643529238 387773462 /nfs/dbraw/zinc/77/34/62/387773462.db2.gz XLRRLBCEEIFENS-PRHODGIISA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422920713 387775345 /nfs/dbraw/zinc/77/53/45/387775345.db2.gz NIKWSSWDCICDNB-IUCAKERBSA-N 2 2 224.270 2.059 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000643529802 387775660 /nfs/dbraw/zinc/77/56/60/387775660.db2.gz GKIRSWKYCMGNHV-NEPJUHHUSA-N 2 2 235.375 2.347 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000527913762 387785828 /nfs/dbraw/zinc/78/58/28/387785828.db2.gz JWEXVOUDDQLWCA-VXGBXAGGSA-N 2 2 249.358 2.375 20 0 BEADLP C[C@@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422979415 387788981 /nfs/dbraw/zinc/78/89/81/387788981.db2.gz MQXRAXVJWATNNW-JSHITJIMSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)Oc1ccccc1 ZINC000422980155 387792172 /nfs/dbraw/zinc/79/21/72/387792172.db2.gz LCHYYDFLFLZESM-UMVBOHGHSA-N 2 2 248.370 2.042 20 0 BEADLP CCn1cc[nH+]c1CNc1[nH+]cccc1C ZINC000309497250 387808890 /nfs/dbraw/zinc/80/88/90/387808890.db2.gz YTKLWKCZWWISMA-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000129009859 387761446 /nfs/dbraw/zinc/76/14/46/387761446.db2.gz JQQQOOWUQVYNNC-UHFFFAOYSA-N 2 2 233.290 2.120 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014389 387823744 /nfs/dbraw/zinc/82/37/44/387823744.db2.gz VAZLNNIPFWSSRT-SCRDCRAPSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014389 387823747 /nfs/dbraw/zinc/82/37/47/387823747.db2.gz VAZLNNIPFWSSRT-SCRDCRAPSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H]([NH2+]Cc1cncc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423009993 387833234 /nfs/dbraw/zinc/83/32/34/387833234.db2.gz FKNXRUYIBKPUBV-KBPBESRZSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@H](C)[C@H]([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000442776096 387836942 /nfs/dbraw/zinc/83/69/42/387836942.db2.gz YCZHDSMOYZOVLW-AEJSXWLSSA-N 2 2 240.351 2.161 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014805 387838350 /nfs/dbraw/zinc/83/83/50/387838350.db2.gz JLBVWIHDYIVADJ-JMSVASOKSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)[C@H]1CCC[NH2+]1 ZINC000423026364 387844680 /nfs/dbraw/zinc/84/46/80/387844680.db2.gz AYSPDLVVZOQDER-OPQQBVKSSA-N 2 2 237.322 2.012 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815905 387847816 /nfs/dbraw/zinc/84/78/16/387847816.db2.gz HWIYYTZPYNVMQP-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815905 387847817 /nfs/dbraw/zinc/84/78/17/387847817.db2.gz HWIYYTZPYNVMQP-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643535987 387866062 /nfs/dbraw/zinc/86/60/62/387866062.db2.gz LRDZTRWUTWUHAB-UBHSHLNASA-N 2 2 236.334 2.346 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C(F)(F)F ZINC000423070400 387871632 /nfs/dbraw/zinc/87/16/32/387871632.db2.gz NDTJAEKUVCGALP-YUMQZZPRSA-N 2 2 212.259 2.044 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000564058619 387814051 /nfs/dbraw/zinc/81/40/51/387814051.db2.gz LGCAMLUSVYUPOM-DGAVXFQQSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000564058619 387814058 /nfs/dbraw/zinc/81/40/58/387814058.db2.gz LGCAMLUSVYUPOM-DGAVXFQQSA-N 2 2 224.392 2.352 20 0 BEADLP CCC(CC)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000422965470 387816639 /nfs/dbraw/zinc/81/66/39/387816639.db2.gz OTPRGTVAFWKSEK-BZPMIXESSA-N 3 2 243.439 2.068 20 0 BEADLP Cc1csc(C2([NH2+]C[C@H](C)[NH3+])CCCC2)n1 ZINC000442660728 387817913 /nfs/dbraw/zinc/81/79/13/387817913.db2.gz MMIRHOFXWCNEIH-VIFPVBQESA-N 2 2 239.388 2.158 20 0 BEADLP COc1cccc([C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000442667147 387819120 /nfs/dbraw/zinc/81/91/20/387819120.db2.gz YGJAXQUTODAHIU-SMDDNHRTSA-N 2 2 234.343 2.179 20 0 BEADLP COc1cccc([C@H]2CCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC000442667147 387819122 /nfs/dbraw/zinc/81/91/22/387819122.db2.gz YGJAXQUTODAHIU-SMDDNHRTSA-N 2 2 234.343 2.179 20 0 BEADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538467 387876253 /nfs/dbraw/zinc/87/62/53/387876253.db2.gz KSGJQSIKKHDVST-DGTMBMJNSA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccsc1 ZINC000643538311 387877349 /nfs/dbraw/zinc/87/73/49/387877349.db2.gz GMTNVWUPHIBFDF-SDDRHHMPSA-N 2 2 242.363 2.489 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538774 387878218 /nfs/dbraw/zinc/87/82/18/387878218.db2.gz UXSWAPMZYYTYIN-RHYQMDGZSA-N 2 2 228.355 2.101 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643540619 387881233 /nfs/dbraw/zinc/88/12/33/387881233.db2.gz YRKOZOBJLHPOSM-NOZJJQNGSA-N 2 2 240.297 2.279 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221161815 387929771 /nfs/dbraw/zinc/92/97/71/387929771.db2.gz ZHEOUBMGMBIZCR-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221161815 387929777 /nfs/dbraw/zinc/92/97/77/387929777.db2.gz ZHEOUBMGMBIZCR-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100503 387931059 /nfs/dbraw/zinc/93/10/59/387931059.db2.gz AYRDRDBTRQEMJP-RISCZKNCSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000527100503 387931060 /nfs/dbraw/zinc/93/10/60/387931060.db2.gz AYRDRDBTRQEMJP-RISCZKNCSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)C ZINC000158135155 387922022 /nfs/dbraw/zinc/92/20/22/387922022.db2.gz SYTIVVAXZKWVPW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000423145459 387923178 /nfs/dbraw/zinc/92/31/78/387923178.db2.gz KSDWYZUYKYSVRO-NDBYEHHHSA-N 2 2 228.355 2.387 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@@H]1C ZINC000321153038 387953424 /nfs/dbraw/zinc/95/34/24/387953424.db2.gz WLISNLOWYLUVIV-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423177136 387964857 /nfs/dbraw/zinc/96/48/57/387964857.db2.gz AJBCPYKLBBZPDX-ZIAGYGMSSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319107 387970041 /nfs/dbraw/zinc/97/00/41/387970041.db2.gz DRMCLQRKNVGESC-HPEDKQMDSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424319107 387970046 /nfs/dbraw/zinc/97/00/46/387970046.db2.gz DRMCLQRKNVGESC-HPEDKQMDSA-N 2 2 234.387 2.247 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH3+])c1cc(F)ccc1F ZINC000423187741 387971819 /nfs/dbraw/zinc/97/18/19/387971819.db2.gz PJONVRFAFJSVRV-GFCCVEGCSA-N 2 2 228.286 2.210 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453067206 387978685 /nfs/dbraw/zinc/97/86/85/387978685.db2.gz YVWJOOHBUXTIES-ZDUSSCGKSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC[NH3+])cc(C)c1F ZINC000423195652 387979389 /nfs/dbraw/zinc/97/93/89/387979389.db2.gz XYSUSMVMQZGJBV-JTQLQIEISA-N 2 2 210.296 2.052 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192875 387978038 /nfs/dbraw/zinc/97/80/38/387978038.db2.gz QBOCCEQBFGJUFU-VHSXEESVSA-N 2 2 240.372 2.159 20 0 BEADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)[NH+](C)C ZINC000453115883 387987848 /nfs/dbraw/zinc/98/78/48/387987848.db2.gz XEVKYYAIAPOBIJ-ZWNOBZJWSA-N 2 2 210.365 2.105 20 0 BEADLP CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000424364699 387989800 /nfs/dbraw/zinc/98/98/00/387989800.db2.gz FAHOOJHYBXQHPG-GHMZBOCLSA-N 2 2 239.388 2.065 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423209612 387993075 /nfs/dbraw/zinc/99/30/75/387993075.db2.gz VHKFBMOYRQDBSK-IUPBHXKESA-N 2 2 234.318 2.011 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c(C)c1 ZINC000423208417 387994221 /nfs/dbraw/zinc/99/42/21/387994221.db2.gz DYYHYDRGKFNHTL-NEPJUHHUSA-N 2 2 234.343 2.016 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423197538 387983663 /nfs/dbraw/zinc/98/36/63/387983663.db2.gz ZUHFLDJYJIACHA-QWHCGFSZSA-N 2 2 247.386 2.155 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N(C)C ZINC000423197539 387983720 /nfs/dbraw/zinc/98/37/20/387983720.db2.gz ZUHFLDJYJIACHA-STQMWFEESA-N 2 2 247.386 2.155 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000423200272 387986136 /nfs/dbraw/zinc/98/61/36/387986136.db2.gz FFAJSMOCONIKQY-ZJUUUORDSA-N 2 2 224.373 2.323 20 0 BEADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CC2 ZINC000423199258 387986376 /nfs/dbraw/zinc/98/63/76/387986376.db2.gz BBLUVZJCUWCYNG-AAEUAGOBSA-N 2 2 236.746 2.279 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(C)ccc1OC ZINC000423201729 387987131 /nfs/dbraw/zinc/98/71/31/387987131.db2.gz JFBCVKRFYOQKIR-OCCSQVGLSA-N 2 2 248.370 2.406 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000423217945 387999571 /nfs/dbraw/zinc/99/95/71/387999571.db2.gz SWGSOXITBAHGSF-KGLIPLIRSA-N 2 2 218.344 2.398 20 0 BEADLP CC[N@H+]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)C1 ZINC000423222102 388001679 /nfs/dbraw/zinc/00/16/79/388001679.db2.gz ZRVRZFMNICRMQJ-NHYWBVRUSA-N 2 2 245.370 2.407 20 0 BEADLP CC[N@@H+]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)C1 ZINC000423222102 388001683 /nfs/dbraw/zinc/00/16/83/388001683.db2.gz ZRVRZFMNICRMQJ-NHYWBVRUSA-N 2 2 245.370 2.407 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000423222356 388002614 /nfs/dbraw/zinc/00/26/14/388002614.db2.gz ARXZVEQFMHIQDS-ZDUSSCGKSA-N 2 2 222.307 2.012 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423222878 388003429 /nfs/dbraw/zinc/00/34/29/388003429.db2.gz DAPWQEDPZLICOC-ZDUSSCGKSA-N 2 2 222.332 2.238 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000423223455 388005808 /nfs/dbraw/zinc/00/58/08/388005808.db2.gz GOLZKNDMUQBNNO-CYBMUJFWSA-N 2 2 242.313 2.471 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000423225185 388007314 /nfs/dbraw/zinc/00/73/14/388007314.db2.gz LQNFRIFEKISATR-AWEZNQCLSA-N 2 2 248.370 2.326 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000156589223 388007561 /nfs/dbraw/zinc/00/75/61/388007561.db2.gz WERYJVRWQPCVCZ-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000156589223 388007565 /nfs/dbraw/zinc/00/75/65/388007565.db2.gz WERYJVRWQPCVCZ-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000423226353 388008771 /nfs/dbraw/zinc/00/87/71/388008771.db2.gz QKFMKFCSEXGEOE-NSHDSACASA-N 2 2 224.323 2.313 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000423226009 388009134 /nfs/dbraw/zinc/00/91/34/388009134.db2.gz PCJOVDLNWIMCJN-VIFPVBQESA-N 2 2 242.363 2.418 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000423225812 388010366 /nfs/dbraw/zinc/01/03/66/388010366.db2.gz OIGFHIJASLKOOH-WCQYABFASA-N 2 2 218.344 2.352 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423227473 388012234 /nfs/dbraw/zinc/01/22/34/388012234.db2.gz VYMAMUDEVPONCY-FZMZJTMJSA-N 2 2 218.344 2.037 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000423227762 388013435 /nfs/dbraw/zinc/01/34/35/388013435.db2.gz WXZKZAGRNHUJHY-CQSZACIVSA-N 2 2 236.334 2.394 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423230459 388015684 /nfs/dbraw/zinc/01/56/84/388015684.db2.gz DQJCZOGMLVCXIJ-IAQYHMDHSA-N 2 2 246.354 2.119 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230446 388015781 /nfs/dbraw/zinc/01/57/81/388015781.db2.gz DPBKQPIJLFOKDK-GHMZBOCLSA-N 2 2 224.373 2.459 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423232404 388016747 /nfs/dbraw/zinc/01/67/47/388016747.db2.gz IHIYEVTUYROOQY-CHWSQXEVSA-N 2 2 247.386 2.155 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423231914 388017617 /nfs/dbraw/zinc/01/76/17/388017617.db2.gz HLBDUQHYNKEVMX-KGLIPLIRSA-N 2 2 233.359 2.120 20 0 BEADLP CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423233725 388019227 /nfs/dbraw/zinc/01/92/27/388019227.db2.gz KLFPBRSSSZVKAM-OLZOCXBDSA-N 2 2 233.359 2.264 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423234911 388019241 /nfs/dbraw/zinc/01/92/41/388019241.db2.gz MNLLCQDXCWVINK-BXUZGUMPSA-N 2 2 218.344 2.434 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000423238136 388022656 /nfs/dbraw/zinc/02/26/56/388022656.db2.gz FGTJNTZQICFQCI-AWEZNQCLSA-N 2 2 232.371 2.490 20 0 BEADLP c1cncc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCC2)c1 ZINC000423239582 388022955 /nfs/dbraw/zinc/02/29/55/388022955.db2.gz SHQZFLHBKXMQDA-GJZGRUSLSA-N 2 2 245.370 2.264 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1C[C@H]1C ZINC000423250246 388032403 /nfs/dbraw/zinc/03/24/03/388032403.db2.gz QATDTXPXEXIFRH-MHDGFBEUSA-N 2 2 218.344 2.321 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423250442 388033127 /nfs/dbraw/zinc/03/31/27/388033127.db2.gz QFLUIWIIPZOQJX-MRVWCRGKSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cncs1 ZINC000423251136 388033492 /nfs/dbraw/zinc/03/34/92/388033492.db2.gz WEYMPEFNHSRYLM-PWSUYJOCSA-N 2 2 247.367 2.494 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccncc1 ZINC000423252296 388033628 /nfs/dbraw/zinc/03/36/28/388033628.db2.gz XJZHNYYDTCBJCR-DOMZBBRYSA-N 2 2 241.338 2.432 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423250443 388033769 /nfs/dbraw/zinc/03/37/69/388033769.db2.gz QFLUIWIIPZOQJX-XBFCOCLRSA-N 2 2 218.344 2.465 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252971 388035257 /nfs/dbraw/zinc/03/52/57/388035257.db2.gz YLOHXBZIOXVPMB-ZIAGYGMSSA-N 2 2 218.344 2.465 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423253415 388036062 /nfs/dbraw/zinc/03/60/62/388036062.db2.gz YYXBKVBUPUIIBJ-BXUZGUMPSA-N 2 2 218.344 2.119 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000423261627 388040622 /nfs/dbraw/zinc/04/06/22/388040622.db2.gz KIOORSNYZXKMTR-WDEREUQCSA-N 2 2 210.321 2.222 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1F ZINC000423264614 388042178 /nfs/dbraw/zinc/04/21/78/388042178.db2.gz AJMSGUSMPHYJGO-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1F ZINC000423264615 388042411 /nfs/dbraw/zinc/04/24/11/388042411.db2.gz AJMSGUSMPHYJGO-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000082858956 388043129 /nfs/dbraw/zinc/04/31/29/388043129.db2.gz UFBADWHWHMCKFV-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423243389 388026417 /nfs/dbraw/zinc/02/64/17/388026417.db2.gz WHLBKQQYYDYYKZ-RIEGTJTDSA-N 2 2 248.345 2.401 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000423243426 388026944 /nfs/dbraw/zinc/02/69/44/388026944.db2.gz WLGWWXSREMHLQQ-HIFRSBDPSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245099 388027482 /nfs/dbraw/zinc/02/74/82/388027482.db2.gz YDDJBZHARZKVLG-NXEZZACHSA-N 2 2 240.372 2.159 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000423245291 388027900 /nfs/dbraw/zinc/02/79/00/388027900.db2.gz MFUXJGGEXMWYAT-CQSZACIVSA-N 2 2 236.359 2.345 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000423244874 388028079 /nfs/dbraw/zinc/02/80/79/388028079.db2.gz OFGPCIUMVXJZQQ-SWLSCSKDSA-N 2 2 248.370 2.091 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)C2 ZINC000453263335 388028159 /nfs/dbraw/zinc/02/81/59/388028159.db2.gz YTIAAMDLMMFHQI-IUODEOHRSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)CC2 ZINC000453263335 388028162 /nfs/dbraw/zinc/02/81/62/388028162.db2.gz YTIAAMDLMMFHQI-IUODEOHRSA-N 2 2 245.370 2.435 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423248420 388030060 /nfs/dbraw/zinc/03/00/60/388030060.db2.gz RSGZPWLTHKDJDQ-OCCSQVGLSA-N 2 2 241.338 2.432 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccccc1C ZINC000423246269 388030556 /nfs/dbraw/zinc/03/05/56/388030556.db2.gz NFTKKXDKQHSABG-GFCCVEGCSA-N 2 2 206.333 2.255 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C)c1cccc(F)c1 ZINC000423247740 388030759 /nfs/dbraw/zinc/03/07/59/388030759.db2.gz PISYXHIDRKGSGA-GFCCVEGCSA-N 2 2 210.296 2.086 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423249235 388031168 /nfs/dbraw/zinc/03/11/68/388031168.db2.gz SAUPUZMCIACZOM-SNVBAGLBSA-N 2 2 238.400 2.497 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCOC1 ZINC000423250046 388031273 /nfs/dbraw/zinc/03/12/73/388031273.db2.gz UJLDLAKRUMSHRC-KFWWJZLASA-N 2 2 248.370 2.091 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccn1 ZINC000423271838 388051490 /nfs/dbraw/zinc/05/14/90/388051490.db2.gz YFUCWNHEFOKOSJ-VXGBXAGGSA-N 2 2 221.348 2.106 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)o1 ZINC000423278115 388059755 /nfs/dbraw/zinc/05/97/55/388059755.db2.gz PLAAYIKRPMAQFA-TVQRCGJNSA-N 2 2 222.332 2.284 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423282482 388065534 /nfs/dbraw/zinc/06/55/34/388065534.db2.gz VDHVQCBLRGAFCU-SMDDNHRTSA-N 2 2 248.370 2.473 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423285100 388069220 /nfs/dbraw/zinc/06/92/20/388069220.db2.gz YVVOUYQKUZVRQW-AAEUAGOBSA-N 2 2 238.379 2.098 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423286658 388071004 /nfs/dbraw/zinc/07/10/04/388071004.db2.gz IAFDWDVIVQGJIY-JTQLQIEISA-N 2 2 239.338 2.389 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286803 388071411 /nfs/dbraw/zinc/07/14/11/388071411.db2.gz IVOATUKAFBPLOR-MRVPVSSYSA-N 2 2 228.361 2.145 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423286804 388072098 /nfs/dbraw/zinc/07/20/98/388072098.db2.gz IVOATUKAFBPLOR-QMMMGPOBSA-N 2 2 228.361 2.145 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402068 388073287 /nfs/dbraw/zinc/07/32/87/388073287.db2.gz PLVZCAVXFHSTIY-TZMCWYRMSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C2CCC2)CCC1 ZINC000453402068 388073290 /nfs/dbraw/zinc/07/32/90/388073290.db2.gz PLVZCAVXFHSTIY-TZMCWYRMSA-N 2 2 236.403 2.497 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000453468437 388084132 /nfs/dbraw/zinc/08/41/32/388084132.db2.gz ZIAUVNSEKPRGJJ-ZOBORPQBSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000453468437 388084134 /nfs/dbraw/zinc/08/41/34/388084134.db2.gz ZIAUVNSEKPRGJJ-ZOBORPQBSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163837022 388085347 /nfs/dbraw/zinc/08/53/47/388085347.db2.gz PXDLWPCZLBEHCN-LLVKDONJSA-N 2 2 207.321 2.272 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447797579 388094152 /nfs/dbraw/zinc/09/41/52/388094152.db2.gz LKPFNNNWJGCOSI-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447797579 388094154 /nfs/dbraw/zinc/09/41/54/388094154.db2.gz LKPFNNNWJGCOSI-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000086727385 388107617 /nfs/dbraw/zinc/10/76/17/388107617.db2.gz RRIXNDNSGNQXBW-UONOGXRCSA-N 2 2 216.328 2.089 20 0 BEADLP CC1(C)CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000086844383 388109638 /nfs/dbraw/zinc/10/96/38/388109638.db2.gz SRGIABKMPLGKMO-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cncs1 ZINC000423267094 388045448 /nfs/dbraw/zinc/04/54/48/388045448.db2.gz SOPDZPREVNBENQ-ZJUUUORDSA-N 2 2 227.377 2.167 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccn1 ZINC000423270241 388049939 /nfs/dbraw/zinc/04/99/39/388049939.db2.gz HXOWKOWKQBXLJK-QWHCGFSZSA-N 2 2 235.375 2.496 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000449260210 388163992 /nfs/dbraw/zinc/16/39/92/388163992.db2.gz VIAWCKLWPRPJQL-QWHCGFSZSA-N 2 2 233.359 2.366 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449322366 388172678 /nfs/dbraw/zinc/17/26/78/388172678.db2.gz XFHNTRXAPBJWRK-ZOBORPQBSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449322366 388172679 /nfs/dbraw/zinc/17/26/79/388172679.db2.gz XFHNTRXAPBJWRK-ZOBORPQBSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000488514608 388183470 /nfs/dbraw/zinc/18/34/70/388183470.db2.gz NBKYMIHKYHKEFX-MCIONIFRSA-N 2 2 247.386 2.331 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000488514608 388183473 /nfs/dbraw/zinc/18/34/73/388183473.db2.gz NBKYMIHKYHKEFX-MCIONIFRSA-N 2 2 247.386 2.331 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000449074036 388136901 /nfs/dbraw/zinc/13/69/01/388136901.db2.gz BDQOKZGJLRCLOH-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000449074036 388136903 /nfs/dbraw/zinc/13/69/03/388136903.db2.gz BDQOKZGJLRCLOH-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449185570 388154766 /nfs/dbraw/zinc/15/47/66/388154766.db2.gz GNOPEBBFJPYRBS-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449185570 388154769 /nfs/dbraw/zinc/15/47/69/388154769.db2.gz GNOPEBBFJPYRBS-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385839 388190584 /nfs/dbraw/zinc/19/05/84/388190584.db2.gz GVOYCVPZTYERMM-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385839 388190587 /nfs/dbraw/zinc/19/05/87/388190587.db2.gz GVOYCVPZTYERMM-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398627 388194741 /nfs/dbraw/zinc/19/47/41/388194741.db2.gz YKTBXJBXNFBSAH-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398627 388194744 /nfs/dbraw/zinc/19/47/44/388194744.db2.gz YKTBXJBXNFBSAH-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489115244 388204280 /nfs/dbraw/zinc/20/42/80/388204280.db2.gz IRBVHSVVZWLXOF-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000489115244 388204281 /nfs/dbraw/zinc/20/42/81/388204281.db2.gz IRBVHSVVZWLXOF-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449433307 388205414 /nfs/dbraw/zinc/20/54/14/388205414.db2.gz LRIYDFUIFLWPOL-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449433307 388205416 /nfs/dbraw/zinc/20/54/16/388205416.db2.gz LRIYDFUIFLWPOL-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP CC/C=C\C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449458606 388210808 /nfs/dbraw/zinc/21/08/08/388210808.db2.gz PHBDBQPAUAXSSS-WAYWQWQTSA-N 2 2 239.388 2.261 20 0 BEADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@@H](C)O ZINC000449540147 388227262 /nfs/dbraw/zinc/22/72/62/388227262.db2.gz IZFUQNCCODFMPV-TZMCWYRMSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC2(CO)CC2)c[nH+]1 ZINC000449581061 388237862 /nfs/dbraw/zinc/23/78/62/388237862.db2.gz WTFOAIMWHCMQPT-UHFFFAOYSA-N 2 2 248.370 2.075 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccccc21 ZINC000235101301 388365100 /nfs/dbraw/zinc/36/51/00/388365100.db2.gz OJXIKAGQLQROLJ-ONGXEEELSA-N 2 2 222.357 2.160 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235118195 388365795 /nfs/dbraw/zinc/36/57/95/388365795.db2.gz DAUGSZZKFQFBME-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000235462767 388369886 /nfs/dbraw/zinc/36/98/86/388369886.db2.gz GQICDCXOSFCUDQ-NXEZZACHSA-N 2 2 218.300 2.431 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)[NH+](C)C ZINC000235537359 388371795 /nfs/dbraw/zinc/37/17/95/388371795.db2.gz DUPUWMYQNDOULN-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CCc1cc(NCCc2[nH+]cccc2C)cc[nH+]1 ZINC000404872180 388439702 /nfs/dbraw/zinc/43/97/02/388439702.db2.gz NJHWVMKDUSMBPJ-UHFFFAOYSA-N 2 2 241.338 2.424 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000525977834 388440720 /nfs/dbraw/zinc/44/07/20/388440720.db2.gz RBJHHTQPFOPRRG-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000525977834 388440722 /nfs/dbraw/zinc/44/07/22/388440722.db2.gz RBJHHTQPFOPRRG-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000525977833 388441439 /nfs/dbraw/zinc/44/14/39/388441439.db2.gz RBJHHTQPFOPRRG-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000525977833 388441440 /nfs/dbraw/zinc/44/14/40/388441440.db2.gz RBJHHTQPFOPRRG-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](CC)CC)C1CCC1 ZINC000322738069 388444898 /nfs/dbraw/zinc/44/48/98/388444898.db2.gz XPDJBGPMJCRAOP-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC([NH3+])C1 ZINC000335301116 388450152 /nfs/dbraw/zinc/45/01/52/388450152.db2.gz VRMUUKOHJPXHLX-UHFFFAOYSA-N 2 2 244.260 2.025 20 0 BEADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC([NH3+])C1 ZINC000335301116 388450154 /nfs/dbraw/zinc/45/01/54/388450154.db2.gz VRMUUKOHJPXHLX-UHFFFAOYSA-N 2 2 244.260 2.025 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000335354845 388450167 /nfs/dbraw/zinc/45/01/67/388450167.db2.gz AYKJBPIMNAIPKB-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cs1 ZINC000328513081 388416982 /nfs/dbraw/zinc/41/69/82/388416982.db2.gz CIQRNVBYSOUKJO-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)cs1 ZINC000328513081 388416985 /nfs/dbraw/zinc/41/69/85/388416985.db2.gz CIQRNVBYSOUKJO-LBPRGKRZSA-N 2 2 224.373 2.240 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000397561552 388479639 /nfs/dbraw/zinc/47/96/39/388479639.db2.gz AVVMUYKHQGXXDT-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000397561552 388479642 /nfs/dbraw/zinc/47/96/42/388479642.db2.gz AVVMUYKHQGXXDT-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP c1[nH]c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000245703910 388429150 /nfs/dbraw/zinc/42/91/50/388429150.db2.gz DQRXUHPVISTNMG-NEPJUHHUSA-N 2 2 237.372 2.270 20 0 BEADLP c1[nH]c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000245703910 388429151 /nfs/dbraw/zinc/42/91/51/388429151.db2.gz DQRXUHPVISTNMG-NEPJUHHUSA-N 2 2 237.372 2.270 20 0 BEADLP CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000322563746 388438842 /nfs/dbraw/zinc/43/88/42/388438842.db2.gz XQHZRIJYIYZICP-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000322563746 388438844 /nfs/dbraw/zinc/43/88/44/388438844.db2.gz XQHZRIJYIYZICP-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@@H]2C)n1C ZINC000520839945 388543038 /nfs/dbraw/zinc/54/30/38/388543038.db2.gz XZGZZTVWDVNRDO-GWCFXTLKSA-N 2 2 221.348 2.397 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397794175 388499616 /nfs/dbraw/zinc/49/96/16/388499616.db2.gz SRZBVGKJFHJLTK-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397794171 388499655 /nfs/dbraw/zinc/49/96/55/388499655.db2.gz SRZBVGKJFHJLTK-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)[C@H]1C ZINC000397793142 388499660 /nfs/dbraw/zinc/49/96/60/388499660.db2.gz SKINEQUNTVUQKZ-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397794167 388499796 /nfs/dbraw/zinc/49/97/96/388499796.db2.gz SRZBVGKJFHJLTK-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397800552 388499940 /nfs/dbraw/zinc/49/99/40/388499940.db2.gz VKCKCFGJBWKHII-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000397802842 388499973 /nfs/dbraw/zinc/49/99/73/388499973.db2.gz CXOFDHRPBTWIGL-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccoc1 ZINC000547979721 388500184 /nfs/dbraw/zinc/50/01/84/388500184.db2.gz VILGRJMCBXBGQI-JQWIXIFHSA-N 2 2 231.299 2.142 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000397839085 388504600 /nfs/dbraw/zinc/50/46/00/388504600.db2.gz FYZVVJZYZXFURF-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397864347 388507279 /nfs/dbraw/zinc/50/72/79/388507279.db2.gz PTXROHIXJGLGDV-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000397873770 388508293 /nfs/dbraw/zinc/50/82/93/388508293.db2.gz GTUOEYHDAXQDFA-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000397871077 388508528 /nfs/dbraw/zinc/50/85/28/388508528.db2.gz SQOPQPLERMHJJH-HNNXBMFYSA-N 2 2 244.382 2.228 20 0 BEADLP Cc1cccc(C)c1C[NH2+]CC1([NH+](C)C)CC1 ZINC000397958691 388514027 /nfs/dbraw/zinc/51/40/27/388514027.db2.gz CTFTYCUDRNAKKS-UHFFFAOYSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000347077228 388521674 /nfs/dbraw/zinc/52/16/74/388521674.db2.gz VGPUCMRQPHUMBG-SNVBAGLBSA-N 2 2 247.317 2.153 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000347077228 388521675 /nfs/dbraw/zinc/52/16/75/388521675.db2.gz VGPUCMRQPHUMBG-SNVBAGLBSA-N 2 2 247.317 2.153 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000346994054 388522488 /nfs/dbraw/zinc/52/24/88/388522488.db2.gz BCTSYNKLTYOSHN-SNVBAGLBSA-N 2 2 247.317 2.153 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000346994054 388522490 /nfs/dbraw/zinc/52/24/90/388522490.db2.gz BCTSYNKLTYOSHN-SNVBAGLBSA-N 2 2 247.317 2.153 20 0 BEADLP CC1(C)CC(C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000528507228 388536641 /nfs/dbraw/zinc/53/66/41/388536641.db2.gz JIYJLXIXMZUHPK-UHFFFAOYSA-N 2 2 219.332 2.135 20 0 BEADLP CC1(C)CC(C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000528507228 388536643 /nfs/dbraw/zinc/53/66/43/388536643.db2.gz JIYJLXIXMZUHPK-UHFFFAOYSA-N 2 2 219.332 2.135 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000550911707 388617243 /nfs/dbraw/zinc/61/72/43/388617243.db2.gz VMHBRIWATQJBJA-CQSZACIVSA-N 2 2 240.391 2.043 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000550911707 388617247 /nfs/dbraw/zinc/61/72/47/388617247.db2.gz VMHBRIWATQJBJA-CQSZACIVSA-N 2 2 240.391 2.043 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000379276617 388604562 /nfs/dbraw/zinc/60/45/62/388604562.db2.gz ZZWROQGVFAZDQG-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000379276617 388604565 /nfs/dbraw/zinc/60/45/65/388604565.db2.gz ZZWROQGVFAZDQG-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000245874538 388608513 /nfs/dbraw/zinc/60/85/13/388608513.db2.gz JWCUCNJKPUJVSJ-QWHCGFSZSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1C ZINC000245874538 388608517 /nfs/dbraw/zinc/60/85/17/388608517.db2.gz JWCUCNJKPUJVSJ-QWHCGFSZSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245891528 388609917 /nfs/dbraw/zinc/60/99/17/388609917.db2.gz MFJDGGVFISXFHS-KGLIPLIRSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245891528 388609918 /nfs/dbraw/zinc/60/99/18/388609918.db2.gz MFJDGGVFISXFHS-KGLIPLIRSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370730706 388570539 /nfs/dbraw/zinc/57/05/39/388570539.db2.gz QAAYTNMZJSEWFE-NSHDSACASA-N 2 2 221.348 2.293 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370730706 388570543 /nfs/dbraw/zinc/57/05/43/388570543.db2.gz QAAYTNMZJSEWFE-NSHDSACASA-N 2 2 221.348 2.293 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530176092 388620531 /nfs/dbraw/zinc/62/05/31/388620531.db2.gz BJABQMGRTWIPPS-AWEZNQCLSA-N 2 2 230.355 2.369 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177071 388621811 /nfs/dbraw/zinc/62/18/11/388621811.db2.gz GBKOPTHASZAVKK-LBPRGKRZSA-N 2 2 236.384 2.431 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179635 388622689 /nfs/dbraw/zinc/62/26/89/388622689.db2.gz ZGUIVQIRHPHWCN-CYBMUJFWSA-N 2 2 234.318 2.200 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cncs1 ZINC000530217755 388630498 /nfs/dbraw/zinc/63/04/98/388630498.db2.gz HLDKBVQVBKYMOT-KOLCDFICSA-N 2 2 237.372 2.078 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cncc(F)c1 ZINC000530216637 388630754 /nfs/dbraw/zinc/63/07/54/388630754.db2.gz CPKKOXXOCUYLQT-GXFFZTMASA-N 2 2 249.333 2.156 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000328360645 388642200 /nfs/dbraw/zinc/64/22/00/388642200.db2.gz PUZPGJGVKJZCBG-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000328360645 388642202 /nfs/dbraw/zinc/64/22/02/388642202.db2.gz PUZPGJGVKJZCBG-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246928528 388655307 /nfs/dbraw/zinc/65/53/07/388655307.db2.gz HAIGMDIEUMRNPE-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246928528 388655309 /nfs/dbraw/zinc/65/53/09/388655309.db2.gz HAIGMDIEUMRNPE-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000247294661 388661649 /nfs/dbraw/zinc/66/16/49/388661649.db2.gz HOQDIFJMWRBCPP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000247294661 388661651 /nfs/dbraw/zinc/66/16/51/388661651.db2.gz HOQDIFJMWRBCPP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(C)cn1 ZINC000126926106 388709858 /nfs/dbraw/zinc/70/98/58/388709858.db2.gz NGXSEPNEPAFEBR-UHFFFAOYSA-N 2 2 235.375 2.212 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000253189716 388808292 /nfs/dbraw/zinc/80/82/92/388808292.db2.gz KMSCIOWUCRMHPJ-NDBYEHHHSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000253189716 388808296 /nfs/dbraw/zinc/80/82/96/388808296.db2.gz KMSCIOWUCRMHPJ-NDBYEHHHSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1CC([NH2+][C@H]2CC[N@H+](C)C2)C[C@H](C)C1 ZINC000252191777 388762319 /nfs/dbraw/zinc/76/23/19/388762319.db2.gz VARXHSFYXMIXHN-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CC([NH2+][C@H]2CC[N@@H+](C)C2)C[C@H](C)C1 ZINC000252191777 388762321 /nfs/dbraw/zinc/76/23/21/388762321.db2.gz VARXHSFYXMIXHN-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CC1 ZINC000252712572 388773698 /nfs/dbraw/zinc/77/36/98/388773698.db2.gz MTEAFTDUOKWXHB-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CC1 ZINC000252712572 388773701 /nfs/dbraw/zinc/77/37/01/388773701.db2.gz MTEAFTDUOKWXHB-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)CC1CCC1 ZINC000230321279 388823370 /nfs/dbraw/zinc/82/33/70/388823370.db2.gz SHODAPRJARLMQT-ZDUSSCGKSA-N 2 2 212.381 2.482 20 0 BEADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC1CCC1 ZINC000230321279 388823373 /nfs/dbraw/zinc/82/33/73/388823373.db2.gz SHODAPRJARLMQT-ZDUSSCGKSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccn1 ZINC000129576961 388852638 /nfs/dbraw/zinc/85/26/38/388852638.db2.gz NWJLUZPOQNNUMA-FRRDWIJNSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccn1 ZINC000129576961 388852642 /nfs/dbraw/zinc/85/26/42/388852642.db2.gz NWJLUZPOQNNUMA-FRRDWIJNSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+](C)C ZINC000648771014 388858827 /nfs/dbraw/zinc/85/88/27/388858827.db2.gz MWLMJXYHYUBGAN-HSBZDZAISA-N 2 2 240.391 2.018 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000564828067 388891204 /nfs/dbraw/zinc/89/12/04/388891204.db2.gz WHGFMXHNQAITPQ-BXUZGUMPSA-N 2 2 248.370 2.392 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000564828070 388891563 /nfs/dbraw/zinc/89/15/63/388891563.db2.gz WHGFMXHNQAITPQ-SMDDNHRTSA-N 2 2 248.370 2.392 20 0 BEADLP CC1(C)CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000564969117 388903527 /nfs/dbraw/zinc/90/35/27/388903527.db2.gz CPPFCOMSMRBWGR-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C)CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000564969117 388903530 /nfs/dbraw/zinc/90/35/30/388903530.db2.gz CPPFCOMSMRBWGR-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400405034 533505400 /nfs/dbraw/zinc/50/54/00/533505400.db2.gz RAAYXRJCDJKHMO-SCRDCRAPSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H](C)[N@H+]1C ZINC000292890796 132219176 /nfs/dbraw/zinc/21/91/76/132219176.db2.gz VVLVBMAJDMRYAV-AOOOYVTPSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@@H]1CN(c2cc[nH+]cc2Cl)C[C@H](C)[N@@H+]1C ZINC000292890796 132219179 /nfs/dbraw/zinc/21/91/79/132219179.db2.gz VVLVBMAJDMRYAV-AOOOYVTPSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124896963 132228461 /nfs/dbraw/zinc/22/84/61/132228461.db2.gz PTIGLVRZJJSXEW-QWHCGFSZSA-N 2 2 245.370 2.296 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cccc(C)[nH+]2)C[C@@H]1C ZINC000354813141 132270334 /nfs/dbraw/zinc/27/03/34/132270334.db2.gz BIPICQHRYPCVTN-QWHCGFSZSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cccc(C)[nH+]2)C[C@@H]1C ZINC000354813141 132270337 /nfs/dbraw/zinc/27/03/37/132270337.db2.gz BIPICQHRYPCVTN-QWHCGFSZSA-N 2 2 233.359 2.309 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](CC3CCC3)CC2)c1 ZINC000361689072 132280289 /nfs/dbraw/zinc/28/02/89/132280289.db2.gz FTHANZFABSQXSR-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000335858572 133940049 /nfs/dbraw/zinc/94/00/49/133940049.db2.gz CUOUKKSGVPESPY-AWEZNQCLSA-N 2 2 241.338 2.296 20 0 BEADLP CC1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000336005057 134048967 /nfs/dbraw/zinc/04/89/67/134048967.db2.gz HQXRFSYQWZKUGN-HTAVTVPLSA-N 2 2 233.359 2.435 20 0 BEADLP CC1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000336005057 134048968 /nfs/dbraw/zinc/04/89/68/134048968.db2.gz HQXRFSYQWZKUGN-HTAVTVPLSA-N 2 2 233.359 2.435 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCCF)[C@H]1c1ccccc1 ZINC000352094103 134061430 /nfs/dbraw/zinc/06/14/30/134061430.db2.gz XDILARBULAZUBL-ZIAGYGMSSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCCF)[C@H]1c1ccccc1 ZINC000352094103 134061431 /nfs/dbraw/zinc/06/14/31/134061431.db2.gz XDILARBULAZUBL-ZIAGYGMSSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCCF)[C@H]1c1ccccc1 ZINC000352094102 134061468 /nfs/dbraw/zinc/06/14/68/134061468.db2.gz XDILARBULAZUBL-UONOGXRCSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCCF)[C@H]1c1ccccc1 ZINC000352094102 134061469 /nfs/dbraw/zinc/06/14/69/134061469.db2.gz XDILARBULAZUBL-UONOGXRCSA-N 2 2 236.334 2.381 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]2C2CC2)[nH+]1 ZINC000336216248 134137527 /nfs/dbraw/zinc/13/75/27/134137527.db2.gz MTJLBLCGLXBSTF-CYBMUJFWSA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]2C2CC2)[nH+]1 ZINC000336216248 134137528 /nfs/dbraw/zinc/13/75/28/134137528.db2.gz MTJLBLCGLXBSTF-CYBMUJFWSA-N 2 2 227.311 2.319 20 0 BEADLP C[C@@H]1CC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000188573423 134528699 /nfs/dbraw/zinc/52/86/99/134528699.db2.gz YUBCKLUEFCAJET-TZMCWYRMSA-N 2 2 249.358 2.088 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000070558480 134991427 /nfs/dbraw/zinc/99/14/27/134991427.db2.gz VXTQNLGSRSFKRJ-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070643608 135001234 /nfs/dbraw/zinc/00/12/34/135001234.db2.gz BQEXHZMYFCZFFR-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCC(C)(C)C1)[NH+](C)C ZINC000070683161 135007992 /nfs/dbraw/zinc/00/79/92/135007992.db2.gz JYCSSWAIKGNZPE-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000249615432 135042143 /nfs/dbraw/zinc/04/21/43/135042143.db2.gz YEFSXEAWKAQKDX-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000249615432 135042145 /nfs/dbraw/zinc/04/21/45/135042145.db2.gz YEFSXEAWKAQKDX-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250112009 135049548 /nfs/dbraw/zinc/04/95/48/135049548.db2.gz MCEHPZFJUMNZMR-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250112009 135049550 /nfs/dbraw/zinc/04/95/50/135049550.db2.gz MCEHPZFJUMNZMR-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1 ZINC000251786741 135077688 /nfs/dbraw/zinc/07/76/88/135077688.db2.gz NIMFXNOIGWOSKP-JHJVBQTASA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC1(C)C ZINC000086855840 135098424 /nfs/dbraw/zinc/09/84/24/135098424.db2.gz UXVMIRMLFQRSMU-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000252798721 135111026 /nfs/dbraw/zinc/11/10/26/135111026.db2.gz PEYXXZNCRIEZQI-YUELXQCFSA-N 2 2 232.371 2.330 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253079462 135119893 /nfs/dbraw/zinc/11/98/93/135119893.db2.gz UQAZTKASZSXQCB-WOPDTQHZSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000253079462 135119895 /nfs/dbraw/zinc/11/98/95/135119895.db2.gz UQAZTKASZSXQCB-WOPDTQHZSA-N 2 2 230.421 2.186 20 0 BEADLP c1sc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000258758605 135134174 /nfs/dbraw/zinc/13/41/74/135134174.db2.gz AMILMCHCQMVDJW-NSHDSACASA-N 2 2 232.352 2.353 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000258829095 135134789 /nfs/dbraw/zinc/13/47/89/135134789.db2.gz VAZKQMSISDLNKD-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000258829095 135134790 /nfs/dbraw/zinc/13/47/90/135134790.db2.gz VAZKQMSISDLNKD-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000259251160 135141470 /nfs/dbraw/zinc/14/14/70/135141470.db2.gz YUYUSVITWMZWOY-CYBMUJFWSA-N 2 2 218.344 2.063 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C2)c(C)c1 ZINC000259251165 135141637 /nfs/dbraw/zinc/14/16/37/135141637.db2.gz YUYUSVITWMZWOY-ZDUSSCGKSA-N 2 2 218.344 2.063 20 0 BEADLP CC(C)Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000259218000 135141675 /nfs/dbraw/zinc/14/16/75/135141675.db2.gz XLLLPGRZRQIJSU-HNNXBMFYSA-N 2 2 232.371 2.337 20 0 BEADLP CCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1F ZINC000259950361 135145888 /nfs/dbraw/zinc/14/58/88/135145888.db2.gz GOPJRDZWQQVTEM-JTQLQIEISA-N 2 2 240.322 2.003 20 0 BEADLP CCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1F ZINC000259950361 135145889 /nfs/dbraw/zinc/14/58/89/135145889.db2.gz GOPJRDZWQQVTEM-JTQLQIEISA-N 2 2 240.322 2.003 20 0 BEADLP COc1c(C)cc(C[N@H+](C)[C@H](C)C[NH3+])cc1C ZINC000260279901 135148734 /nfs/dbraw/zinc/14/87/34/135148734.db2.gz XVQWTSQEHSXBSY-GFCCVEGCSA-N 2 2 236.359 2.091 20 0 BEADLP COc1c(C)cc(C[N@@H+](C)[C@H](C)C[NH3+])cc1C ZINC000260279901 135148736 /nfs/dbraw/zinc/14/87/36/135148736.db2.gz XVQWTSQEHSXBSY-GFCCVEGCSA-N 2 2 236.359 2.091 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000261530177 135157230 /nfs/dbraw/zinc/15/72/30/135157230.db2.gz XSCALPMSQODPHZ-BDAKNGLRSA-N 2 2 212.724 2.165 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)o1 ZINC000261530282 135157740 /nfs/dbraw/zinc/15/77/40/135157740.db2.gz CEZNRQUBLZMYRY-UTLUCORTSA-N 2 2 210.321 2.283 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000261534893 135169186 /nfs/dbraw/zinc/16/91/86/135169186.db2.gz NHVDWSVOHCFGGB-UTLUCORTSA-N 2 2 210.296 2.212 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])s1 ZINC000261536017 135171172 /nfs/dbraw/zinc/17/11/72/135171172.db2.gz QBIKWHOFKJXRAW-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])s1 ZINC000261536017 135171173 /nfs/dbraw/zinc/17/11/73/135171173.db2.gz QBIKWHOFKJXRAW-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000261541942 135181917 /nfs/dbraw/zinc/18/19/17/135181917.db2.gz MTWYKUKJOALOHN-YPMHNXCESA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000261541942 135181919 /nfs/dbraw/zinc/18/19/19/135181919.db2.gz MTWYKUKJOALOHN-YPMHNXCESA-N 2 2 236.334 2.385 20 0 BEADLP Cc1ncccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261541795 135182072 /nfs/dbraw/zinc/18/20/72/135182072.db2.gz BKYVYXSHVLRVES-SMDDNHRTSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ncccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261541795 135182074 /nfs/dbraw/zinc/18/20/74/135182074.db2.gz BKYVYXSHVLRVES-SMDDNHRTSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1[NH3+] ZINC000261542862 135182929 /nfs/dbraw/zinc/18/29/29/135182929.db2.gz QVMMAPPICFRVKB-BXKDBHETSA-N 2 2 240.297 2.403 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1[NH3+] ZINC000261542862 135182931 /nfs/dbraw/zinc/18/29/31/135182931.db2.gz QVMMAPPICFRVKB-BXKDBHETSA-N 2 2 240.297 2.403 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261543397 135183945 /nfs/dbraw/zinc/18/39/45/135183945.db2.gz HRDZRWWNKKEEKY-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261543397 135183946 /nfs/dbraw/zinc/18/39/46/135183946.db2.gz HRDZRWWNKKEEKY-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1[NH3+] ZINC000261548443 135187095 /nfs/dbraw/zinc/18/70/95/135187095.db2.gz AYGGHLKHHXGNKL-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1[NH3+] ZINC000261548443 135187096 /nfs/dbraw/zinc/18/70/96/135187096.db2.gz AYGGHLKHHXGNKL-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP Cc1ncsc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000084149515 135188099 /nfs/dbraw/zinc/18/80/99/135188099.db2.gz YFBTXLNCFBMDLU-KOLCDFICSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000084149515 135188101 /nfs/dbraw/zinc/18/81/01/135188101.db2.gz YFBTXLNCFBMDLU-KOLCDFICSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000084149514 135188204 /nfs/dbraw/zinc/18/82/04/135188204.db2.gz YFBTXLNCFBMDLU-MWLCHTKSSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000084149514 135188207 /nfs/dbraw/zinc/18/82/07/135188207.db2.gz YFBTXLNCFBMDLU-MWLCHTKSSA-N 2 2 239.388 2.153 20 0 BEADLP CCCOc1cccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261550752 135189083 /nfs/dbraw/zinc/18/90/83/135189083.db2.gz PTQOCEAYPABKKB-SWLSCSKDSA-N 2 2 248.370 2.254 20 0 BEADLP CCCOc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261550752 135189085 /nfs/dbraw/zinc/18/90/85/135189085.db2.gz PTQOCEAYPABKKB-SWLSCSKDSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1[NH3+] ZINC000261551482 135190835 /nfs/dbraw/zinc/19/08/35/135190835.db2.gz VQERWZOULGFWPN-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1[NH3+] ZINC000261551482 135190837 /nfs/dbraw/zinc/19/08/37/135190837.db2.gz VQERWZOULGFWPN-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1C ZINC000261560349 135201568 /nfs/dbraw/zinc/20/15/68/135201568.db2.gz ZTQIGLSREKPOHR-LLVKDONJSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1C ZINC000261560349 135201569 /nfs/dbraw/zinc/20/15/69/135201569.db2.gz ZTQIGLSREKPOHR-LLVKDONJSA-N 2 2 206.333 2.082 20 0 BEADLP COc1ccc([C@H](C)[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261568111 135210284 /nfs/dbraw/zinc/21/02/84/135210284.db2.gz FINKKVILBBAHEC-MNOVXSKESA-N 2 2 222.332 2.035 20 0 BEADLP COc1ccc([C@H](C)[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261568111 135210286 /nfs/dbraw/zinc/21/02/86/135210286.db2.gz FINKKVILBBAHEC-MNOVXSKESA-N 2 2 222.332 2.035 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000164138178 135212978 /nfs/dbraw/zinc/21/29/78/135212978.db2.gz NCEXBMVIAUASGD-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000164138178 135212979 /nfs/dbraw/zinc/21/29/79/135212979.db2.gz NCEXBMVIAUASGD-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261577295 135218258 /nfs/dbraw/zinc/21/82/58/135218258.db2.gz KXZVZQRRGJLSDK-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261577295 135218260 /nfs/dbraw/zinc/21/82/60/135218260.db2.gz KXZVZQRRGJLSDK-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP COc1cccc(Cl)c1C[NH2+]CC(C)(C)[NH3+] ZINC000261577806 135219275 /nfs/dbraw/zinc/21/92/75/135219275.db2.gz LJERXCGPABMULA-UHFFFAOYSA-N 2 2 242.750 2.176 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000261580122 135220781 /nfs/dbraw/zinc/22/07/81/135220781.db2.gz MRPYNBRKOUIEEA-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1F ZINC000261580122 135220783 /nfs/dbraw/zinc/22/07/83/135220783.db2.gz MRPYNBRKOUIEEA-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000261583090 135223899 /nfs/dbraw/zinc/22/38/99/135223899.db2.gz OWNLIAIBOUQSTH-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000261583090 135223901 /nfs/dbraw/zinc/22/39/01/135223901.db2.gz OWNLIAIBOUQSTH-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)ccc1F ZINC000261587908 135228512 /nfs/dbraw/zinc/22/85/12/135228512.db2.gz RYIZNGLZYBMUTP-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)ccc1F ZINC000261587908 135228513 /nfs/dbraw/zinc/22/85/13/135228513.db2.gz RYIZNGLZYBMUTP-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000261599029 135238036 /nfs/dbraw/zinc/23/80/36/135238036.db2.gz ZRZRILSQKTXANR-YIZRAAEISA-N 2 2 228.286 2.351 20 0 BEADLP CSc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261599689 135238056 /nfs/dbraw/zinc/23/80/56/135238056.db2.gz ZWWDSWGKPXJPPA-ZWNOBZJWSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261599689 135238057 /nfs/dbraw/zinc/23/80/57/135238057.db2.gz ZWWDSWGKPXJPPA-ZWNOBZJWSA-N 2 2 236.384 2.330 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1Cl ZINC000261547365 135240318 /nfs/dbraw/zinc/24/03/18/135240318.db2.gz MFTJXBHQKQZKOF-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1Cl ZINC000261547365 135240320 /nfs/dbraw/zinc/24/03/20/135240320.db2.gz MFTJXBHQKQZKOF-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1nc2ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc2s1 ZINC000261803567 135254480 /nfs/dbraw/zinc/25/44/80/135254480.db2.gz HCHDWPXEZGRNJX-SECBINFHSA-N 2 2 249.383 2.384 20 0 BEADLP Cc1nc2ccc(C[N@H+](C)[C@H](C)C[NH3+])cc2s1 ZINC000261803567 135254482 /nfs/dbraw/zinc/25/44/82/135254482.db2.gz HCHDWPXEZGRNJX-SECBINFHSA-N 2 2 249.383 2.384 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817299 135255677 /nfs/dbraw/zinc/25/56/77/135255677.db2.gz ICSSVJWASJETBJ-GWCFXTLKSA-N 2 2 238.762 2.477 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817299 135255679 /nfs/dbraw/zinc/25/56/79/135255679.db2.gz ICSSVJWASJETBJ-GWCFXTLKSA-N 2 2 238.762 2.477 20 0 BEADLP C[C@@]1(C[N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]C1 ZINC000261915418 135262819 /nfs/dbraw/zinc/26/28/19/135262819.db2.gz ZIARXGJVPMXBHR-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@]1(C[N@H+]2CCc3c(F)cccc3C2)CC[NH2+]C1 ZINC000261915418 135262821 /nfs/dbraw/zinc/26/28/21/135262821.db2.gz ZIARXGJVPMXBHR-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000262065075 135277223 /nfs/dbraw/zinc/27/72/23/135277223.db2.gz JMDGYBIHCSYRHO-PSASIEDQSA-N 2 2 242.725 2.492 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccncc1 ZINC000342700908 135307580 /nfs/dbraw/zinc/30/75/80/135307580.db2.gz BMYVDOHGODTENY-OUCADQQQSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccncc1 ZINC000342700908 135307581 /nfs/dbraw/zinc/30/75/81/135307581.db2.gz BMYVDOHGODTENY-OUCADQQQSA-N 2 2 233.359 2.215 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000262990136 135325434 /nfs/dbraw/zinc/32/54/34/135325434.db2.gz NOUSLCSHYOBKIR-INIZCTEOSA-N 2 2 244.382 2.315 20 0 BEADLP CCCCOCCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000343112909 135357834 /nfs/dbraw/zinc/35/78/34/135357834.db2.gz WLFQPXHPKNKTJQ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCCOCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000343112909 135357836 /nfs/dbraw/zinc/35/78/36/135357836.db2.gz WLFQPXHPKNKTJQ-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079979123 135364877 /nfs/dbraw/zinc/36/48/77/135364877.db2.gz OKHMKAVQYKTVPJ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079979123 135364879 /nfs/dbraw/zinc/36/48/79/135364879.db2.gz OKHMKAVQYKTVPJ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000334382970 135379977 /nfs/dbraw/zinc/37/99/77/135379977.db2.gz KQCMKULAIOZDQN-NEPJUHHUSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000334382970 135379978 /nfs/dbraw/zinc/37/99/78/135379978.db2.gz KQCMKULAIOZDQN-NEPJUHHUSA-N 2 2 221.348 2.312 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638719 135388291 /nfs/dbraw/zinc/38/82/91/135388291.db2.gz KEOSFXXPTMGLCS-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638719 135388294 /nfs/dbraw/zinc/38/82/94/135388294.db2.gz KEOSFXXPTMGLCS-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC000334405931 135393796 /nfs/dbraw/zinc/39/37/96/135393796.db2.gz HOJPAJTUFDPULV-GHMZBOCLSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccn1 ZINC000334405931 135393797 /nfs/dbraw/zinc/39/37/97/135393797.db2.gz HOJPAJTUFDPULV-GHMZBOCLSA-N 2 2 242.326 2.013 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1F ZINC000087365121 135505425 /nfs/dbraw/zinc/50/54/25/135505425.db2.gz IZZBMHADNZVTGH-JQWIXIFHSA-N 2 2 222.307 2.147 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(C)CCCO1 ZINC000348094735 136035907 /nfs/dbraw/zinc/03/59/07/136035907.db2.gz YZHIVCVARJIPIF-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000348188331 136048946 /nfs/dbraw/zinc/04/89/46/136048946.db2.gz SMESJMCEBVCYQH-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000348188331 136048947 /nfs/dbraw/zinc/04/89/47/136048947.db2.gz SMESJMCEBVCYQH-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000348242902 136056426 /nfs/dbraw/zinc/05/64/26/136056426.db2.gz KSFZQVKUVRNUPO-UWVGGRQHSA-N 2 2 247.264 2.156 20 0 BEADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000348242902 136056427 /nfs/dbraw/zinc/05/64/27/136056427.db2.gz KSFZQVKUVRNUPO-UWVGGRQHSA-N 2 2 247.264 2.156 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348410341 136077628 /nfs/dbraw/zinc/07/76/28/136077628.db2.gz OKQUCQLOMWUQFQ-WCQYABFASA-N 2 2 240.366 2.341 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348410341 136077629 /nfs/dbraw/zinc/07/76/29/136077629.db2.gz OKQUCQLOMWUQFQ-WCQYABFASA-N 2 2 240.366 2.341 20 0 BEADLP CC1(F)CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000335374238 136084829 /nfs/dbraw/zinc/08/48/29/136084829.db2.gz RHPORLIFIBSJJK-UHFFFAOYSA-N 2 2 233.290 2.315 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335374957 136084999 /nfs/dbraw/zinc/08/49/99/136084999.db2.gz QTFZIQQYBSUFPS-CXQJBGSLSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335374957 136085000 /nfs/dbraw/zinc/08/50/00/136085000.db2.gz QTFZIQQYBSUFPS-CXQJBGSLSA-N 2 2 233.359 2.291 20 0 BEADLP Fc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000335554058 136098902 /nfs/dbraw/zinc/09/89/02/136098902.db2.gz ALQKFXFNSJIJDP-UHFFFAOYSA-N 2 2 234.318 2.154 20 0 BEADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[NH3+])CCCO2 ZINC000335562283 136106854 /nfs/dbraw/zinc/10/68/54/136106854.db2.gz BRJYRDKIUOCYGJ-CYBMUJFWSA-N 2 2 234.343 2.065 20 0 BEADLP CC[C@@H](F)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000440491286 397928049 /nfs/dbraw/zinc/92/80/49/397928049.db2.gz GVVJFGYWUQELKB-GFCCVEGCSA-N 2 2 216.344 2.152 20 0 BEADLP CC[C@@H](F)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000440491286 397928056 /nfs/dbraw/zinc/92/80/56/397928056.db2.gz GVVJFGYWUQELKB-GFCCVEGCSA-N 2 2 216.344 2.152 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@@H+]1CCn1cc[nH+]c1C ZINC000357525647 397937601 /nfs/dbraw/zinc/93/76/01/397937601.db2.gz FAEXDRCPKLIXAV-AAEUAGOBSA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@H+]1CCn1cc[nH+]c1C ZINC000357525647 397937605 /nfs/dbraw/zinc/93/76/05/397937605.db2.gz FAEXDRCPKLIXAV-AAEUAGOBSA-N 2 2 221.348 2.454 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000449556134 397956110 /nfs/dbraw/zinc/95/61/10/397956110.db2.gz KUWABEXVANOBSI-CFVMTHIKSA-N 2 2 232.371 2.330 20 0 BEADLP Cc1ccncc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000269617642 397958031 /nfs/dbraw/zinc/95/80/31/397958031.db2.gz RQIXXATYNYXPEO-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccncc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000269617642 397958033 /nfs/dbraw/zinc/95/80/33/397958033.db2.gz RQIXXATYNYXPEO-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccncc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000269617642 397958036 /nfs/dbraw/zinc/95/80/36/397958036.db2.gz RQIXXATYNYXPEO-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccncc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000269617642 397958038 /nfs/dbraw/zinc/95/80/38/397958038.db2.gz RQIXXATYNYXPEO-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389524854 397962425 /nfs/dbraw/zinc/96/24/25/397962425.db2.gz HOHHKXICOMDEHT-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389524854 397962428 /nfs/dbraw/zinc/96/24/28/397962428.db2.gz HOHHKXICOMDEHT-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@H](C3CC3)C2)c[nH+]1 ZINC000371471737 397990980 /nfs/dbraw/zinc/99/09/80/397990980.db2.gz ANVQIIISSCOMTC-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@H](C3CC3)C2)c[nH+]1 ZINC000371471737 397990984 /nfs/dbraw/zinc/99/09/84/397990984.db2.gz ANVQIIISSCOMTC-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CCC[N@@H+]2CCC[C@@H]2C2CC2)c[nH+]1 ZINC000371470392 397991246 /nfs/dbraw/zinc/99/12/46/397991246.db2.gz LEGCHQAJFLGBJK-CYBMUJFWSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CCC[C@@H]2C2CC2)c[nH+]1 ZINC000371470392 397991248 /nfs/dbraw/zinc/99/12/48/397991248.db2.gz LEGCHQAJFLGBJK-CYBMUJFWSA-N 2 2 219.332 2.148 20 0 BEADLP C[NH+](C)C1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000275482913 398021333 /nfs/dbraw/zinc/02/13/33/398021333.db2.gz QCEHMUTYQSKFKQ-UHFFFAOYSA-N 2 2 246.358 2.250 20 0 BEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000197882574 398021983 /nfs/dbraw/zinc/02/19/83/398021983.db2.gz PBCDGPKXHSSZIP-GASCZTMLSA-N 2 2 248.345 2.257 20 0 BEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000197882574 398021987 /nfs/dbraw/zinc/02/19/87/398021987.db2.gz PBCDGPKXHSSZIP-GASCZTMLSA-N 2 2 248.345 2.257 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000334789608 398037218 /nfs/dbraw/zinc/03/72/18/398037218.db2.gz VYDJJJKCCKJTOT-BETUJISGSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000334789608 398037224 /nfs/dbraw/zinc/03/72/24/398037224.db2.gz VYDJJJKCCKJTOT-BETUJISGSA-N 2 2 233.359 2.085 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC1Cc2ccccc2C1 ZINC000521551336 398095400 /nfs/dbraw/zinc/09/54/00/398095400.db2.gz MHQRQKKXGBZYSX-UHFFFAOYSA-N 2 2 246.398 2.331 20 0 BEADLP CCc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000051724120 398058639 /nfs/dbraw/zinc/05/86/39/398058639.db2.gz OXLJWMNWFQKLBH-NSHDSACASA-N 2 2 233.315 2.217 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000309603515 398102961 /nfs/dbraw/zinc/10/29/61/398102961.db2.gz YDBJGCMURVMOPR-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000309603515 398102965 /nfs/dbraw/zinc/10/29/65/398102965.db2.gz YDBJGCMURVMOPR-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)CCOCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000111679711 398115508 /nfs/dbraw/zinc/11/55/08/398115508.db2.gz PKLIUICBXOBXRA-KBPBESRZSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000111679711 398115512 /nfs/dbraw/zinc/11/55/12/398115512.db2.gz PKLIUICBXOBXRA-KBPBESRZSA-N 2 2 242.407 2.108 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414950442 398124385 /nfs/dbraw/zinc/12/43/85/398124385.db2.gz HUDTYLPCNFMTRZ-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP C[N@H+](Cc1ccoc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862431 1172786318 /nfs/dbraw/zinc/78/63/18/1172786318.db2.gz OIQZEBNNTGGJRW-ZDUSSCGKSA-N 2 2 222.332 2.101 20 0 BEADLP C[N@@H+](Cc1ccoc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862431 1172786322 /nfs/dbraw/zinc/78/63/22/1172786322.db2.gz OIQZEBNNTGGJRW-ZDUSSCGKSA-N 2 2 222.332 2.101 20 0 BEADLP c1ccc2c(c1)CCC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC000062944712 1172791178 /nfs/dbraw/zinc/79/11/78/1172791178.db2.gz XYEYHXDGHGQVOS-HNNXBMFYSA-N 2 2 230.355 2.187 20 0 BEADLP c1ccc2c(c1)CCC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC000062944712 1172791181 /nfs/dbraw/zinc/79/11/81/1172791181.db2.gz XYEYHXDGHGQVOS-HNNXBMFYSA-N 2 2 230.355 2.187 20 0 BEADLP CC(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034652029 167118380 /nfs/dbraw/zinc/11/83/80/167118380.db2.gz BFFHEGULFDWRIU-UHFFFAOYSA-N 2 2 215.300 2.370 20 0 BEADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000258883233 322878091 /nfs/dbraw/zinc/87/80/91/322878091.db2.gz KOFGBGSOYMTYEF-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000258946311 322880079 /nfs/dbraw/zinc/88/00/79/322880079.db2.gz QVFQNHVATNSTES-AWEZNQCLSA-N 2 2 232.371 2.453 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)n1C ZINC000667464817 487561312 /nfs/dbraw/zinc/56/13/12/487561312.db2.gz CHBUBXUVFKFNTI-AWEZNQCLSA-N 2 2 244.342 2.394 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)n1C ZINC000667464817 487561314 /nfs/dbraw/zinc/56/13/14/487561314.db2.gz CHBUBXUVFKFNTI-AWEZNQCLSA-N 2 2 244.342 2.394 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](COC)CC(C)C)C1 ZINC000658287975 487577634 /nfs/dbraw/zinc/57/76/34/487577634.db2.gz PSONJFKOXARABJ-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](COC)CC(C)C)C1 ZINC000658287975 487577637 /nfs/dbraw/zinc/57/76/37/487577637.db2.gz PSONJFKOXARABJ-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053389570 487591453 /nfs/dbraw/zinc/59/14/53/487591453.db2.gz SJCJCEVYDFNODB-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053389570 487591458 /nfs/dbraw/zinc/59/14/58/487591458.db2.gz SJCJCEVYDFNODB-CYBMUJFWSA-N 2 2 224.392 2.498 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232460954 487595485 /nfs/dbraw/zinc/59/54/85/487595485.db2.gz IFBRSTLUEFSVDU-DGCLKSJQSA-N 2 2 234.343 2.389 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC(C)(CC(F)F)C2)n1C ZINC000668274104 487607908 /nfs/dbraw/zinc/60/79/08/487607908.db2.gz UYWPDNMWGYBEDG-UHFFFAOYSA-N 2 2 243.301 2.206 20 0 BEADLP CCC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000662244134 409534934 /nfs/dbraw/zinc/53/49/34/409534934.db2.gz CQGSBOVUIMTUAX-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP CCC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000662244134 409534940 /nfs/dbraw/zinc/53/49/40/409534940.db2.gz CQGSBOVUIMTUAX-XJFOESAGSA-N 2 2 222.376 2.106 20 0 BEADLP COc1cccc([C@@]2(C)CC[N@H+](C[C@H](C)[NH3+])C2)c1 ZINC000662311287 409634798 /nfs/dbraw/zinc/63/47/98/409634798.db2.gz RNYIXUWPMXPVTO-WFASDCNBSA-N 2 2 248.370 2.006 20 0 BEADLP COc1cccc([C@@]2(C)CC[N@@H+](C[C@H](C)[NH3+])C2)c1 ZINC000662311287 409634803 /nfs/dbraw/zinc/63/48/03/409634803.db2.gz RNYIXUWPMXPVTO-WFASDCNBSA-N 2 2 248.370 2.006 20 0 BEADLP CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283626 409615282 /nfs/dbraw/zinc/61/52/82/409615282.db2.gz BWGGJWIHPOEIKU-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CCCCC[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662283626 409615285 /nfs/dbraw/zinc/61/52/85/409615285.db2.gz BWGGJWIHPOEIKU-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)c(C)[nH+]1 ZINC000653111695 409819737 /nfs/dbraw/zinc/81/97/37/409819737.db2.gz WURWJYOHDTYDRR-LBPRGKRZSA-N 2 2 247.342 2.027 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H](C)C[NH2+]C)c1 ZINC000663513185 410282229 /nfs/dbraw/zinc/28/22/29/410282229.db2.gz JJDWPQOGKGRKAJ-LBPRGKRZSA-N 2 2 220.360 2.337 20 0 BEADLP c1cc2c(c(C[NH2+]C[C@@H]3CCC[NH2+]3)c1)CCC2 ZINC000650703537 410332483 /nfs/dbraw/zinc/33/24/83/410332483.db2.gz FQDFUAGNXWKCOW-AWEZNQCLSA-N 2 2 230.355 2.017 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703392 410333090 /nfs/dbraw/zinc/33/30/90/410333090.db2.gz YKQYOLGJBSBPNS-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC000650703392 410333098 /nfs/dbraw/zinc/33/30/98/410333098.db2.gz YKQYOLGJBSBPNS-HNNXBMFYSA-N 2 2 244.382 2.359 20 0 BEADLP Cc1ccc(CCC[NH2+]CCC2(C[NH3+])CC2)c[nH+]1 ZINC000650714194 410346447 /nfs/dbraw/zinc/34/64/47/410346447.db2.gz VOJKDQLFNWCEMQ-UHFFFAOYSA-N 3 2 247.386 2.041 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000650741382 410372364 /nfs/dbraw/zinc/37/23/64/410372364.db2.gz CIUANLZKSFOQHH-ARLBYUKCSA-N 2 2 244.382 2.439 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cn1 ZINC000665248566 410731376 /nfs/dbraw/zinc/73/13/76/410731376.db2.gz ZGAREQCRGZSXTQ-JTQLQIEISA-N 2 2 237.322 2.143 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cncc(F)c1 ZINC000665249729 410731546 /nfs/dbraw/zinc/73/15/46/410731546.db2.gz XWEBEBWDHHPHDA-SNVBAGLBSA-N 2 2 237.322 2.143 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000665296912 410816828 /nfs/dbraw/zinc/81/68/28/410816828.db2.gz ZOUPXKGNYSMSQG-ZANVPECISA-N 2 2 222.307 2.011 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccc1 ZINC000665294015 410783186 /nfs/dbraw/zinc/78/31/86/410783186.db2.gz GWUQCKJJLONQDR-WCQYABFASA-N 2 2 206.333 2.335 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000665296889 410817044 /nfs/dbraw/zinc/81/70/44/410817044.db2.gz ZEXMKWNMRWRYGE-RYUDHWBXSA-N 2 2 235.375 2.011 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394374762 410792375 /nfs/dbraw/zinc/79/23/75/410792375.db2.gz KGFWZUCXJJUJRK-PQAZSJQKSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394374762 410792377 /nfs/dbraw/zinc/79/23/77/410792377.db2.gz KGFWZUCXJJUJRK-PQAZSJQKSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000665295570 410792531 /nfs/dbraw/zinc/79/25/31/410792531.db2.gz GCMVIXWXJQYNFR-YGRLFVJLSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000665295344 410795649 /nfs/dbraw/zinc/79/56/49/410795649.db2.gz CGELASQHDUFHCI-PSASIEDQSA-N 2 2 239.388 2.026 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000665295715 410795898 /nfs/dbraw/zinc/79/58/98/410795898.db2.gz IBNILRZKMKQYKJ-ZANVPECISA-N 2 2 222.307 2.011 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000039149921 410803773 /nfs/dbraw/zinc/80/37/73/410803773.db2.gz BCPISLXKIKVBAS-OCCSQVGLSA-N 2 2 218.344 2.479 20 0 BEADLP CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccnc1 ZINC000665298584 410830808 /nfs/dbraw/zinc/83/08/08/410830808.db2.gz YMWPMKOUBBUJED-AAEUAGOBSA-N 2 2 221.348 2.120 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000665298807 410831996 /nfs/dbraw/zinc/83/19/96/410831996.db2.gz AGGIMOKNZUVLJW-NEPJUHHUSA-N 2 2 236.359 2.262 20 0 BEADLP CC(C)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000047888670 167004794 /nfs/dbraw/zinc/00/47/94/167004794.db2.gz LECGQUOPWAXKNG-UHFFFAOYSA-N 2 2 217.316 2.122 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000309086816 167006913 /nfs/dbraw/zinc/00/69/13/167006913.db2.gz YTDDQCOHZKOKHM-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000309086816 167006916 /nfs/dbraw/zinc/00/69/16/167006916.db2.gz YTDDQCOHZKOKHM-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336751935 167008354 /nfs/dbraw/zinc/00/83/54/167008354.db2.gz GTDJYXSFVWTVHM-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336751935 167008358 /nfs/dbraw/zinc/00/83/58/167008358.db2.gz GTDJYXSFVWTVHM-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)SCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000283284101 167320967 /nfs/dbraw/zinc/32/09/67/167320967.db2.gz XJEKNMIPYGQLOH-UHFFFAOYSA-N 2 2 241.404 2.347 20 0 BEADLP CC(C)SCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000283284101 167320971 /nfs/dbraw/zinc/32/09/71/167320971.db2.gz XJEKNMIPYGQLOH-UHFFFAOYSA-N 2 2 241.404 2.347 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000226770318 167380411 /nfs/dbraw/zinc/38/04/11/167380411.db2.gz OIYBBWVDDUZKPI-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000226770318 167380413 /nfs/dbraw/zinc/38/04/13/167380413.db2.gz OIYBBWVDDUZKPI-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CCC13CCCC3)CCC2 ZINC000668280923 487620236 /nfs/dbraw/zinc/62/02/36/487620236.db2.gz IDPRRKDCCGKFQH-UHFFFAOYSA-N 2 2 231.343 2.348 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCC13CCCC3)CCC2 ZINC000668280923 487620240 /nfs/dbraw/zinc/62/02/40/487620240.db2.gz IDPRRKDCCGKFQH-UHFFFAOYSA-N 2 2 231.343 2.348 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000651684978 411136007 /nfs/dbraw/zinc/13/60/07/411136007.db2.gz DYWQHMXBYGJZDR-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000651684978 411136008 /nfs/dbraw/zinc/13/60/08/411136008.db2.gz DYWQHMXBYGJZDR-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC23CCCC3)n1C ZINC000651873107 411148451 /nfs/dbraw/zinc/14/84/51/411148451.db2.gz RVQNLLYSKDRYAL-UHFFFAOYSA-N 2 2 248.374 2.005 20 0 BEADLP CN(C)c1[nH+]cc(C[N@H+]2CCC23CCCC3)n1C ZINC000651873107 411148452 /nfs/dbraw/zinc/14/84/52/411148452.db2.gz RVQNLLYSKDRYAL-UHFFFAOYSA-N 2 2 248.374 2.005 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093527 411243171 /nfs/dbraw/zinc/24/31/71/411243171.db2.gz VLEDWEFWXRRCDO-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093527 411243173 /nfs/dbraw/zinc/24/31/73/411243173.db2.gz VLEDWEFWXRRCDO-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000658094715 411243459 /nfs/dbraw/zinc/24/34/59/411243459.db2.gz AKQFNJPRCGYOOC-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000658094715 411243462 /nfs/dbraw/zinc/24/34/62/411243462.db2.gz AKQFNJPRCGYOOC-YNEHKIRRSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272613 411185420 /nfs/dbraw/zinc/18/54/20/411185420.db2.gz QRMGNZVNKLHXHT-SMDDNHRTSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272613 411185425 /nfs/dbraw/zinc/18/54/25/411185425.db2.gz QRMGNZVNKLHXHT-SMDDNHRTSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272610 411185748 /nfs/dbraw/zinc/18/57/48/411185748.db2.gz QRMGNZVNKLHXHT-BXUZGUMPSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CC1 ZINC000652272610 411185751 /nfs/dbraw/zinc/18/57/51/411185751.db2.gz QRMGNZVNKLHXHT-BXUZGUMPSA-N 2 2 234.387 2.391 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCSCC2)CCC1 ZINC000657985487 411190769 /nfs/dbraw/zinc/19/07/69/411190769.db2.gz TULSLGFTPQAGLQ-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096437 411244884 /nfs/dbraw/zinc/24/48/84/411244884.db2.gz POAQRXPJSWKSSW-VXGBXAGGSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096437 411244886 /nfs/dbraw/zinc/24/48/86/411244886.db2.gz POAQRXPJSWKSSW-VXGBXAGGSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096436 411244905 /nfs/dbraw/zinc/24/49/05/411244905.db2.gz POAQRXPJSWKSSW-RYUDHWBXSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096436 411244906 /nfs/dbraw/zinc/24/49/06/411244906.db2.gz POAQRXPJSWKSSW-RYUDHWBXSA-N 2 2 242.407 2.262 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000113701104 411245083 /nfs/dbraw/zinc/24/50/83/411245083.db2.gz BSCLFPFKYGPVTF-ZDUSSCGKSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000113701104 411245085 /nfs/dbraw/zinc/24/50/85/411245085.db2.gz BSCLFPFKYGPVTF-ZDUSSCGKSA-N 2 2 241.338 2.158 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201410 411206181 /nfs/dbraw/zinc/20/61/81/411206181.db2.gz WYLGIZXXYWMVBW-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1c2cccc(C)c2oc1C[N@H+](C)CC[NH3+] ZINC000652358644 411216237 /nfs/dbraw/zinc/21/62/37/411216237.db2.gz ZKJWVGOYPNIILO-UHFFFAOYSA-N 2 2 232.327 2.440 20 0 BEADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)CC[NH3+] ZINC000652358644 411216240 /nfs/dbraw/zinc/21/62/40/411216240.db2.gz ZKJWVGOYPNIILO-UHFFFAOYSA-N 2 2 232.327 2.440 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CCCO1 ZINC000658058430 411225769 /nfs/dbraw/zinc/22/57/69/411225769.db2.gz SQQSWTHCMDBWPK-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CCCO1 ZINC000658058430 411225770 /nfs/dbraw/zinc/22/57/70/411225770.db2.gz SQQSWTHCMDBWPK-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656276882 411228158 /nfs/dbraw/zinc/22/81/58/411228158.db2.gz JJYHMYXGKXWMRK-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656276882 411228162 /nfs/dbraw/zinc/22/81/62/411228162.db2.gz JJYHMYXGKXWMRK-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656276883 411228269 /nfs/dbraw/zinc/22/82/69/411228269.db2.gz JJYHMYXGKXWMRK-SYQHCUMBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656276883 411228272 /nfs/dbraw/zinc/22/82/72/411228272.db2.gz JJYHMYXGKXWMRK-SYQHCUMBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000422976593 411236249 /nfs/dbraw/zinc/23/62/49/411236249.db2.gz VJLRCVBKIIADMY-DOMZBBRYSA-N 2 2 244.338 2.328 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000049591429 411239979 /nfs/dbraw/zinc/23/99/79/411239979.db2.gz LZUHFSCGHJSTHL-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000049591429 411239985 /nfs/dbraw/zinc/23/99/85/411239985.db2.gz LZUHFSCGHJSTHL-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)s1 ZINC000401670743 411279787 /nfs/dbraw/zinc/27/97/87/411279787.db2.gz LDHSSVOYOPTVDP-KOLCDFICSA-N 2 2 224.373 2.144 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000643515219 411285189 /nfs/dbraw/zinc/28/51/89/411285189.db2.gz IZYITISDQDMADC-LBPRGKRZSA-N 2 2 235.375 2.349 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cscn1 ZINC000658240553 411309303 /nfs/dbraw/zinc/30/93/03/411309303.db2.gz ZICFZTUDJYCHNT-GHMZBOCLSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cscn1 ZINC000658240553 411309305 /nfs/dbraw/zinc/30/93/05/411309305.db2.gz ZICFZTUDJYCHNT-GHMZBOCLSA-N 2 2 239.388 2.278 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000658287209 411323719 /nfs/dbraw/zinc/32/37/19/411323719.db2.gz XGWXLWVFYDKUSZ-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000658287209 411323722 /nfs/dbraw/zinc/32/37/22/411323722.db2.gz XGWXLWVFYDKUSZ-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCc1ccc(C)[nH+]c1NCc1[nH]cc[nH+]1 ZINC000656778202 411358672 /nfs/dbraw/zinc/35/86/72/411358672.db2.gz SCNDYPWCPOFKCX-UHFFFAOYSA-N 2 2 216.288 2.288 20 0 BEADLP C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C ZINC000313274363 411373387 /nfs/dbraw/zinc/37/33/87/411373387.db2.gz UNDHXKCLRMVASJ-LLVKDONJSA-N 2 2 223.364 2.234 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000656792434 411372382 /nfs/dbraw/zinc/37/23/82/411372382.db2.gz QLHLHFRHTNGFPS-LBPRGKRZSA-N 2 2 230.371 2.446 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000656792434 411372384 /nfs/dbraw/zinc/37/23/84/411372384.db2.gz QLHLHFRHTNGFPS-LBPRGKRZSA-N 2 2 230.371 2.446 20 0 BEADLP CC1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000034937279 168162538 /nfs/dbraw/zinc/16/25/38/168162538.db2.gz KJQWMVJJUHLEGL-UHFFFAOYSA-N 2 2 221.348 2.442 20 0 BEADLP CC1CC[NH+](CC[NH2+]C2CCSCC2)CC1 ZINC000040771865 168180811 /nfs/dbraw/zinc/18/08/11/168180811.db2.gz MCNINMDNKZAYMO-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCSC2)CC1 ZINC000061589018 168181228 /nfs/dbraw/zinc/18/12/28/168181228.db2.gz LCGJVMHCFZAJEF-CYBMUJFWSA-N 2 2 242.432 2.204 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771302 168181487 /nfs/dbraw/zinc/18/14/87/168181487.db2.gz YIPBISMSXUYBOP-CYBMUJFWSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344961 411391961 /nfs/dbraw/zinc/39/19/61/411391961.db2.gz VPCWEYBKJOFAEH-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344961 411391964 /nfs/dbraw/zinc/39/19/64/411391964.db2.gz VPCWEYBKJOFAEH-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662233531 411382368 /nfs/dbraw/zinc/38/23/68/411382368.db2.gz GJTRBPYLBJINLQ-PDWCTOEPSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662233531 411382370 /nfs/dbraw/zinc/38/23/70/411382370.db2.gz GJTRBPYLBJINLQ-PDWCTOEPSA-N 2 2 222.376 2.234 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000655790063 411457465 /nfs/dbraw/zinc/45/74/65/411457465.db2.gz FANIKQBLAPDCIJ-UHFFFAOYSA-N 2 2 240.297 2.147 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657300405 411457972 /nfs/dbraw/zinc/45/79/72/411457972.db2.gz NJHAWYLZBNYXEF-RYUDHWBXSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)CCO1 ZINC000070360182 411408961 /nfs/dbraw/zinc/40/89/61/411408961.db2.gz FSUOUILDJPVEKK-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1F ZINC000653609466 411438947 /nfs/dbraw/zinc/43/89/47/411438947.db2.gz OGWVOMYCQXEPIT-YPMHNXCESA-N 2 2 239.338 2.033 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1F ZINC000653609466 411438950 /nfs/dbraw/zinc/43/89/50/411438950.db2.gz OGWVOMYCQXEPIT-YPMHNXCESA-N 2 2 239.338 2.033 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CCc1ccccc1)CCC2 ZINC000657291140 411451850 /nfs/dbraw/zinc/45/18/50/411451850.db2.gz TWSOLXYSMYUAEO-UHFFFAOYSA-N 2 2 241.338 2.162 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350874 411475964 /nfs/dbraw/zinc/47/59/64/411475964.db2.gz GFIUPIBGOZSXTE-JQWIXIFHSA-N 2 2 219.332 2.108 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000230984957 322928583 /nfs/dbraw/zinc/92/85/83/322928583.db2.gz HAFVCXQMOHQUBH-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(C)(CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657365040 411481648 /nfs/dbraw/zinc/48/16/48/411481648.db2.gz DDCAJDKSSQMZKZ-UHFFFAOYSA-N 2 2 221.348 2.498 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415089118 411491853 /nfs/dbraw/zinc/49/18/53/411491853.db2.gz MSPMUCDUUJXQJL-UXIGCNINSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1[nH+]cccc1NCc1c[nH+]c2n1CCC2 ZINC000657412545 411498400 /nfs/dbraw/zinc/49/84/00/411498400.db2.gz GQHNZLBBKXHOHS-UHFFFAOYSA-N 2 2 228.299 2.145 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)CO1 ZINC000657417328 411501186 /nfs/dbraw/zinc/50/11/86/411501186.db2.gz MJPZWXSVNBZKQI-UONOGXRCSA-N 2 2 234.343 2.090 20 0 BEADLP F[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657492668 411534390 /nfs/dbraw/zinc/53/43/90/411534390.db2.gz HXAYFGRUVIAIJD-VXGBXAGGSA-N 2 2 237.322 2.200 20 0 BEADLP Cc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1F ZINC000655792995 411515747 /nfs/dbraw/zinc/51/57/47/411515747.db2.gz FGCUQKFFTGKHIH-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1=CCCCC1)CCC2 ZINC000657477652 411526020 /nfs/dbraw/zinc/52/60/20/411526020.db2.gz PWBDIDWUJJRFEJ-UHFFFAOYSA-N 2 2 231.343 2.419 20 0 BEADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246669018 170009533 /nfs/dbraw/zinc/00/95/33/170009533.db2.gz APLJEGWVJFUQMX-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246669018 170009535 /nfs/dbraw/zinc/00/95/35/170009535.db2.gz APLJEGWVJFUQMX-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752440 170010303 /nfs/dbraw/zinc/01/03/03/170010303.db2.gz LHRFURBDGXPACW-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752440 170010305 /nfs/dbraw/zinc/01/03/05/170010305.db2.gz LHRFURBDGXPACW-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752440 170010306 /nfs/dbraw/zinc/01/03/06/170010306.db2.gz LHRFURBDGXPACW-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752440 170010308 /nfs/dbraw/zinc/01/03/08/170010308.db2.gz LHRFURBDGXPACW-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000328465068 170013533 /nfs/dbraw/zinc/01/35/33/170013533.db2.gz IYDJSBOIJRKQIA-QWHCGFSZSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2OC)C1 ZINC000328465068 170013536 /nfs/dbraw/zinc/01/35/36/170013536.db2.gz IYDJSBOIJRKQIA-QWHCGFSZSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2OC)C1 ZINC000328465066 170014094 /nfs/dbraw/zinc/01/40/94/170014094.db2.gz IYDJSBOIJRKQIA-CHWSQXEVSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2OC)C1 ZINC000328465066 170014095 /nfs/dbraw/zinc/01/40/95/170014095.db2.gz IYDJSBOIJRKQIA-CHWSQXEVSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000328393303 170014285 /nfs/dbraw/zinc/01/42/85/170014285.db2.gz YLSFRHAPNYKYOQ-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC000328393303 170014286 /nfs/dbraw/zinc/01/42/86/170014286.db2.gz YLSFRHAPNYKYOQ-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)n1C ZINC000657500734 411538662 /nfs/dbraw/zinc/53/86/62/411538662.db2.gz RQDYNJXNRQBNML-SDDRHHMPSA-N 2 2 219.332 2.007 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749904 170019242 /nfs/dbraw/zinc/01/92/42/170019242.db2.gz NCGKFFDTAPTPOX-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749904 170019244 /nfs/dbraw/zinc/01/92/44/170019244.db2.gz NCGKFFDTAPTPOX-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749904 170019247 /nfs/dbraw/zinc/01/92/47/170019247.db2.gz NCGKFFDTAPTPOX-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749904 170019248 /nfs/dbraw/zinc/01/92/48/170019248.db2.gz NCGKFFDTAPTPOX-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000328456100 170020541 /nfs/dbraw/zinc/02/05/41/170020541.db2.gz FJINDQGTOJFRAX-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000328456100 170020543 /nfs/dbraw/zinc/02/05/43/170020543.db2.gz FJINDQGTOJFRAX-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000336904324 170020894 /nfs/dbraw/zinc/02/08/94/170020894.db2.gz VXHFMPUHTKJXNE-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000336904324 170020895 /nfs/dbraw/zinc/02/08/95/170020895.db2.gz VXHFMPUHTKJXNE-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000336901534 170021380 /nfs/dbraw/zinc/02/13/80/170021380.db2.gz SVFPOOBVFGNZOW-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000336901534 170021382 /nfs/dbraw/zinc/02/13/82/170021382.db2.gz SVFPOOBVFGNZOW-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000336906117 170021637 /nfs/dbraw/zinc/02/16/37/170021637.db2.gz XJTOZSIVJQXDEU-NSHDSACASA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000336906117 170021638 /nfs/dbraw/zinc/02/16/38/170021638.db2.gz XJTOZSIVJQXDEU-NSHDSACASA-N 2 2 240.297 2.149 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000309927309 170030714 /nfs/dbraw/zinc/03/07/14/170030714.db2.gz VYXWXUGZXOAVPJ-YPMHNXCESA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000309927309 170030715 /nfs/dbraw/zinc/03/07/15/170030715.db2.gz VYXWXUGZXOAVPJ-YPMHNXCESA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000309891406 170031219 /nfs/dbraw/zinc/03/12/19/170031219.db2.gz CSHTUIZTHDCYNN-FKZOYECMSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000309891406 170031220 /nfs/dbraw/zinc/03/12/20/170031220.db2.gz CSHTUIZTHDCYNN-FKZOYECMSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC23CCC(CC2)C3)[C@@H](C)C1 ZINC000339791964 170034579 /nfs/dbraw/zinc/03/45/79/170034579.db2.gz KZRMNBJRLDSZJR-LQULJDIASA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC23CCC(CC2)C3)[C@@H](C)C1 ZINC000339791964 170034581 /nfs/dbraw/zinc/03/45/81/170034581.db2.gz KZRMNBJRLDSZJR-LQULJDIASA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCc2ccccc2C)[C@@H](C)C1 ZINC000358284355 170034818 /nfs/dbraw/zinc/03/48/18/170034818.db2.gz HMSNOXYURLHBPW-HOCLYGCPSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000336782748 170037842 /nfs/dbraw/zinc/03/78/42/170037842.db2.gz YRUJQRDLOUWZML-RWMBFGLXSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000336782748 170037844 /nfs/dbraw/zinc/03/78/44/170037844.db2.gz YRUJQRDLOUWZML-RWMBFGLXSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000358152080 170038468 /nfs/dbraw/zinc/03/84/68/170038468.db2.gz DOIKQVCCFZRCGU-GOEBONIOSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000358152080 170038469 /nfs/dbraw/zinc/03/84/69/170038469.db2.gz DOIKQVCCFZRCGU-GOEBONIOSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C2)C1 ZINC000336778099 170038546 /nfs/dbraw/zinc/03/85/46/170038546.db2.gz KIKPLIJMXLDSDA-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C2)C1 ZINC000336778099 170038548 /nfs/dbraw/zinc/03/85/48/170038548.db2.gz KIKPLIJMXLDSDA-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC000309494332 170038619 /nfs/dbraw/zinc/03/86/19/170038619.db2.gz XZUFNXXLXRUYKL-WCQYABFASA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC000309494332 170038621 /nfs/dbraw/zinc/03/86/21/170038621.db2.gz XZUFNXXLXRUYKL-WCQYABFASA-N 2 2 238.400 2.220 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527677 411541309 /nfs/dbraw/zinc/54/13/09/411541309.db2.gz XHZRBLJWZZIMNF-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527677 411541311 /nfs/dbraw/zinc/54/13/11/411541311.db2.gz XHZRBLJWZZIMNF-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526143 411542860 /nfs/dbraw/zinc/54/28/60/411542860.db2.gz AWLBGSGDTGCUHO-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526143 411542862 /nfs/dbraw/zinc/54/28/62/411542862.db2.gz AWLBGSGDTGCUHO-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CO1 ZINC000657526649 411543163 /nfs/dbraw/zinc/54/31/63/411543163.db2.gz KCVISXQZAUPRNA-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CO1 ZINC000657526649 411543165 /nfs/dbraw/zinc/54/31/65/411543165.db2.gz KCVISXQZAUPRNA-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527067 411543741 /nfs/dbraw/zinc/54/37/41/411543741.db2.gz PVQRIYNPGYUSCY-QWHCGFSZSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527067 411543742 /nfs/dbraw/zinc/54/37/42/411543742.db2.gz PVQRIYNPGYUSCY-QWHCGFSZSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000657564420 411553343 /nfs/dbraw/zinc/55/33/43/411553343.db2.gz VBGOQPWAVHVOPQ-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000657564420 411553344 /nfs/dbraw/zinc/55/33/44/411553344.db2.gz VBGOQPWAVHVOPQ-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000657564514 411553353 /nfs/dbraw/zinc/55/33/53/411553353.db2.gz ZXVZRQZOHUGHLM-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000657564514 411553355 /nfs/dbraw/zinc/55/33/55/411553355.db2.gz ZXVZRQZOHUGHLM-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP CC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289474232 170167110 /nfs/dbraw/zinc/16/71/10/170167110.db2.gz XINCUIPPVGOFBS-STQMWFEESA-N 2 2 204.317 2.041 20 0 BEADLP CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289474232 170167111 /nfs/dbraw/zinc/16/71/11/170167111.db2.gz XINCUIPPVGOFBS-STQMWFEESA-N 2 2 204.317 2.041 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCC[C@@H]3C[C@@H]31)CCC2 ZINC000657655255 411570919 /nfs/dbraw/zinc/57/09/19/411570919.db2.gz CJVLQRJGKCBROO-DYEKYZERSA-N 2 2 245.370 2.355 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@@H+]1C1CC1 ZINC000657644928 411569156 /nfs/dbraw/zinc/56/91/56/411569156.db2.gz HGVMMHXXRBWNJM-MNOVXSKESA-N 2 2 228.355 2.339 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@H+]1C1CC1 ZINC000657644928 411569159 /nfs/dbraw/zinc/56/91/59/411569159.db2.gz HGVMMHXXRBWNJM-MNOVXSKESA-N 2 2 228.355 2.339 20 0 BEADLP CC1(C)C[C@@]1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657761273 411590872 /nfs/dbraw/zinc/59/08/72/411590872.db2.gz IBHTZXOJWVGSGG-CYBMUJFWSA-N 2 2 219.332 2.108 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@@H+]1C1CC1 ZINC000657783495 411595219 /nfs/dbraw/zinc/59/52/19/411595219.db2.gz TWRGGPKNRQEYDV-STQMWFEESA-N 2 2 248.370 2.427 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@H+]1C1CC1 ZINC000657783495 411595220 /nfs/dbraw/zinc/59/52/20/411595220.db2.gz TWRGGPKNRQEYDV-STQMWFEESA-N 2 2 248.370 2.427 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCSCC1 ZINC000657819799 411606656 /nfs/dbraw/zinc/60/66/56/411606656.db2.gz ZBHVESCOSIFBJG-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657865180 411612975 /nfs/dbraw/zinc/61/29/75/411612975.db2.gz QIUJTUHTKNLEFU-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657865180 411612977 /nfs/dbraw/zinc/61/29/77/411612977.db2.gz QIUJTUHTKNLEFU-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657873819 411614953 /nfs/dbraw/zinc/61/49/53/411614953.db2.gz ZIQJXCCFZZGNOD-BDAKNGLRSA-N 2 2 222.323 2.206 20 0 BEADLP CC(C)([NH3+])C[N@H+](CCC1CC1)CC1CC1 ZINC000663504494 411688137 /nfs/dbraw/zinc/68/81/37/411688137.db2.gz YYEZFOXRHGCUPO-UHFFFAOYSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)([NH3+])C[N@@H+](CCC1CC1)CC1CC1 ZINC000663504494 411688141 /nfs/dbraw/zinc/68/81/41/411688141.db2.gz YYEZFOXRHGCUPO-UHFFFAOYSA-N 2 2 210.365 2.236 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000663508228 411690163 /nfs/dbraw/zinc/69/01/63/411690163.db2.gz NRQFCXOOOGRAFE-SECBINFHSA-N 2 2 236.290 2.269 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000663513529 411695218 /nfs/dbraw/zinc/69/52/18/411695218.db2.gz KZBOTPQPKRWQQI-LLVKDONJSA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000663513768 411695528 /nfs/dbraw/zinc/69/55/28/411695528.db2.gz LZYCDMNRLADZMX-LLVKDONJSA-N 2 2 218.344 2.262 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000420937499 411771992 /nfs/dbraw/zinc/77/19/92/411771992.db2.gz NUCJXSNUMRKFCT-JHJVBQTASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000420937499 411771997 /nfs/dbraw/zinc/77/19/97/411771997.db2.gz NUCJXSNUMRKFCT-JHJVBQTASA-N 2 2 249.358 2.157 20 0 BEADLP CCSCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000336751177 170637878 /nfs/dbraw/zinc/63/78/78/170637878.db2.gz CALIFRAJLUDPPM-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000336751177 170637879 /nfs/dbraw/zinc/63/78/79/170637879.db2.gz CALIFRAJLUDPPM-STQMWFEESA-N 2 2 244.448 2.450 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000661860093 411906556 /nfs/dbraw/zinc/90/65/56/411906556.db2.gz RSZIOLODFVLYNE-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000661860093 411906559 /nfs/dbraw/zinc/90/65/59/411906559.db2.gz RSZIOLODFVLYNE-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP CCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000664530547 411979191 /nfs/dbraw/zinc/97/91/91/411979191.db2.gz SBGKICAQEDRKRB-ZDUSSCGKSA-N 2 2 248.374 2.298 20 0 BEADLP CCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2C)C1 ZINC000664530547 411979194 /nfs/dbraw/zinc/97/91/94/411979194.db2.gz SBGKICAQEDRKRB-ZDUSSCGKSA-N 2 2 248.374 2.298 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662241870 412036491 /nfs/dbraw/zinc/03/64/91/412036491.db2.gz XZSFSNFJANKKBK-GJZGRUSLSA-N 2 2 244.382 2.400 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662241870 412036496 /nfs/dbraw/zinc/03/64/96/412036496.db2.gz XZSFSNFJANKKBK-GJZGRUSLSA-N 2 2 244.382 2.400 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000662247200 412045121 /nfs/dbraw/zinc/04/51/21/412045121.db2.gz VHUUSLAFMWWLCV-WDEREUQCSA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000662247200 412045122 /nfs/dbraw/zinc/04/51/22/412045122.db2.gz VHUUSLAFMWWLCV-WDEREUQCSA-N 2 2 234.334 2.352 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000662249878 412047503 /nfs/dbraw/zinc/04/75/03/412047503.db2.gz UCBAZRLFKNQKCS-CYBMUJFWSA-N 2 2 237.347 2.015 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309432116 171044674 /nfs/dbraw/zinc/04/46/74/171044674.db2.gz ADCIQLMRSXFYEB-VWYCJHECSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309432116 171044677 /nfs/dbraw/zinc/04/46/77/171044677.db2.gz ADCIQLMRSXFYEB-VWYCJHECSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000336766151 171059174 /nfs/dbraw/zinc/05/91/74/171059174.db2.gz RIACPNCLAMBDQG-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028787 171285067 /nfs/dbraw/zinc/28/50/67/171285067.db2.gz WJMIWBFUNKEOOL-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000129069564 171287794 /nfs/dbraw/zinc/28/77/94/171287794.db2.gz WKANVBQZUZXXCF-GVXVVHGQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000129069564 171287796 /nfs/dbraw/zinc/28/77/96/171287796.db2.gz WKANVBQZUZXXCF-GVXVVHGQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367440017 171344028 /nfs/dbraw/zinc/34/40/28/171344028.db2.gz ZAKXNJVEYQEQQK-JTQLQIEISA-N 2 2 207.321 2.108 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156928 171390418 /nfs/dbraw/zinc/39/04/18/171390418.db2.gz LHJGJUJHJQVARB-SRVKXCTJSA-N 2 2 209.337 2.296 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1F ZINC000662303262 412088105 /nfs/dbraw/zinc/08/81/05/412088105.db2.gz UMZQZLLSGVYUBQ-MFKMUULPSA-N 2 2 224.323 2.460 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1F ZINC000662303260 412089070 /nfs/dbraw/zinc/08/90/70/412089070.db2.gz UMZQZLLSGVYUBQ-GWCFXTLKSA-N 2 2 224.323 2.460 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1F ZINC000662303263 412089756 /nfs/dbraw/zinc/08/97/56/412089756.db2.gz UMZQZLLSGVYUBQ-ZWNOBZJWSA-N 2 2 224.323 2.460 20 0 BEADLP Cc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)c(C)c1 ZINC000662307262 412092320 /nfs/dbraw/zinc/09/23/20/412092320.db2.gz XZRJMKLYJIHGLD-UHFFFAOYSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)c(C)c1 ZINC000662307262 412092324 /nfs/dbraw/zinc/09/23/24/412092324.db2.gz XZRJMKLYJIHGLD-UHFFFAOYSA-N 2 2 230.355 2.227 20 0 BEADLP CCC(CC)CCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662318362 412097684 /nfs/dbraw/zinc/09/76/84/412097684.db2.gz ZAEAZINQEMCBLP-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCC(CC)CCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662318362 412097689 /nfs/dbraw/zinc/09/76/89/412097689.db2.gz ZAEAZINQEMCBLP-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662323606 412103073 /nfs/dbraw/zinc/10/30/73/412103073.db2.gz YZJVCINWCWSKAN-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662323606 412103074 /nfs/dbraw/zinc/10/30/74/412103074.db2.gz YZJVCINWCWSKAN-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP COCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000662339428 412107934 /nfs/dbraw/zinc/10/79/34/412107934.db2.gz HYNWCMHYNYSMQZ-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP COCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000662339428 412107937 /nfs/dbraw/zinc/10/79/37/412107937.db2.gz HYNWCMHYNYSMQZ-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665236113 412176623 /nfs/dbraw/zinc/17/66/23/412176623.db2.gz HNHOAWJFMMSDBZ-AGIUHOORSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cncs1 ZINC000665249476 412195524 /nfs/dbraw/zinc/19/55/24/412195524.db2.gz RCTPJLSJPXAMNR-VIFPVBQESA-N 2 2 225.361 2.065 20 0 BEADLP CC(C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665257453 412202626 /nfs/dbraw/zinc/20/26/26/412202626.db2.gz JUUSHZQSKGIURN-ZIAGYGMSSA-N 2 2 236.334 2.269 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665236116 412168997 /nfs/dbraw/zinc/16/89/97/412168997.db2.gz HNHOAWJFMMSDBZ-RWMBFGLXSA-N 2 2 242.407 2.168 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276628 412218418 /nfs/dbraw/zinc/21/84/18/412218418.db2.gz ISYGGWPTMLUAKP-KHJSKFAYSA-N 2 2 248.395 2.467 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(C)o1 ZINC000665278011 412220425 /nfs/dbraw/zinc/22/04/25/412220425.db2.gz SENSDEKRUOZBHV-PWQPVHBWSA-N 2 2 234.343 2.299 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)o1 ZINC000665278249 412220781 /nfs/dbraw/zinc/22/07/81/412220781.db2.gz ZHQKKNGQWTYCOA-CDWSIMAYSA-N 2 2 234.343 2.245 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cs1 ZINC000665279339 412222494 /nfs/dbraw/zinc/22/24/94/412222494.db2.gz AOMOTTGWIXAXOK-XSRFYTQQSA-N 2 2 236.384 2.459 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)oc1C ZINC000665279424 412223035 /nfs/dbraw/zinc/22/30/35/412223035.db2.gz BYOCCOITENRMKB-JKDOVBDQSA-N 2 2 234.343 2.299 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccs1 ZINC000665293755 412238946 /nfs/dbraw/zinc/23/89/46/412238946.db2.gz BZKGSUOENWCGPK-ZJUUUORDSA-N 2 2 212.362 2.397 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(F)cc1 ZINC000665293696 412239146 /nfs/dbraw/zinc/23/91/46/412239146.db2.gz BABAAFNNFIWNQI-GXFFZTMASA-N 2 2 224.323 2.474 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665293930 412239594 /nfs/dbraw/zinc/23/95/94/412239594.db2.gz FSEXVLDENFUROE-VXGBXAGGSA-N 2 2 236.359 2.344 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(F)cc1 ZINC000665293695 412239691 /nfs/dbraw/zinc/23/96/91/412239691.db2.gz BABAAFNNFIWNQI-GWCFXTLKSA-N 2 2 224.323 2.474 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000665294328 412239746 /nfs/dbraw/zinc/23/97/46/412239746.db2.gz MQDSOGYKVXTIOY-NXEZZACHSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000665294618 412240605 /nfs/dbraw/zinc/24/06/05/412240605.db2.gz SAYNLSWPLBPJSS-DTWKUNHWSA-N 2 2 228.286 2.223 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000665294847 412241686 /nfs/dbraw/zinc/24/16/86/412241686.db2.gz XNXQJPBDDSTLLI-NEPJUHHUSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000665296381 412242389 /nfs/dbraw/zinc/24/23/89/412242389.db2.gz SAOYEYSZCDLIBP-VHSXEESVSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000665296382 412242597 /nfs/dbraw/zinc/24/25/97/412242597.db2.gz SAOYEYSZCDLIBP-ZJUUUORDSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000665295401 412243254 /nfs/dbraw/zinc/24/32/54/412243254.db2.gz DAIFRJUNCDAYOF-FZMZJTMJSA-N 2 2 218.344 2.180 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccccc1F ZINC000665297734 412244424 /nfs/dbraw/zinc/24/44/24/412244424.db2.gz KRYDHESOXUPDHE-MFKMUULPSA-N 2 2 224.323 2.474 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCNc2ccccc21 ZINC000665297709 412244953 /nfs/dbraw/zinc/24/49/53/412244953.db2.gz KERHTTYUSZBULY-FZMZJTMJSA-N 2 2 233.359 2.131 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000665297711 412245073 /nfs/dbraw/zinc/24/50/73/412245073.db2.gz KERHTTYUSZBULY-SMDDNHRTSA-N 2 2 233.359 2.131 20 0 BEADLP CCn1cc[nH+]c1CNc1cc[nH+]c(C)c1 ZINC000295077905 172225588 /nfs/dbraw/zinc/22/55/88/172225588.db2.gz XGRQTDGVHBOJDB-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP C[NH+](C)C(C)(C)CNc1[nH]c2ccccc2[nH+]1 ZINC000043411753 172396707 /nfs/dbraw/zinc/39/67/07/172396707.db2.gz JXOZQAHZUNCZJA-UHFFFAOYSA-N 2 2 232.331 2.315 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2C1 ZINC000121041732 173028233 /nfs/dbraw/zinc/02/82/33/173028233.db2.gz QPEPVHLMKKFBIH-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1Cc2ccccc2C1 ZINC000121041732 173028235 /nfs/dbraw/zinc/02/82/35/173028235.db2.gz QPEPVHLMKKFBIH-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309569048 173033842 /nfs/dbraw/zinc/03/38/42/173033842.db2.gz NCCYXICJDSOUHR-RDBSUJKOSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309569048 173033844 /nfs/dbraw/zinc/03/38/44/173033844.db2.gz NCCYXICJDSOUHR-RDBSUJKOSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000221152886 173034975 /nfs/dbraw/zinc/03/49/75/173034975.db2.gz KDKLNLBYUJOMKS-CHWSQXEVSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000221152886 173034976 /nfs/dbraw/zinc/03/49/76/173034976.db2.gz KDKLNLBYUJOMKS-CHWSQXEVSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000040671666 173046764 /nfs/dbraw/zinc/04/67/64/173046764.db2.gz NIOKWOUEJSAOBR-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000040671666 173046765 /nfs/dbraw/zinc/04/67/65/173046765.db2.gz NIOKWOUEJSAOBR-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000272642058 173132802 /nfs/dbraw/zinc/13/28/02/173132802.db2.gz OLQWMUKCNNTMAV-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000272642058 173132804 /nfs/dbraw/zinc/13/28/04/173132804.db2.gz OLQWMUKCNNTMAV-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000272642058 173132805 /nfs/dbraw/zinc/13/28/05/173132805.db2.gz OLQWMUKCNNTMAV-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000272642058 173132807 /nfs/dbraw/zinc/13/28/07/173132807.db2.gz OLQWMUKCNNTMAV-HUUCEWRRSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000124763533 173346512 /nfs/dbraw/zinc/34/65/12/173346512.db2.gz KEAFLYPOLCVXKN-UHFFFAOYSA-N 2 2 243.354 2.276 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000124763533 173346513 /nfs/dbraw/zinc/34/65/13/173346513.db2.gz KEAFLYPOLCVXKN-UHFFFAOYSA-N 2 2 243.354 2.276 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011888694 173367682 /nfs/dbraw/zinc/36/76/82/173367682.db2.gz OFXLDUUPFGAWEY-LBPRGKRZSA-N 2 2 236.334 2.257 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011888694 173367683 /nfs/dbraw/zinc/36/76/83/173367683.db2.gz OFXLDUUPFGAWEY-LBPRGKRZSA-N 2 2 236.334 2.257 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000133015858 173368603 /nfs/dbraw/zinc/36/86/03/173368603.db2.gz SJPJUMWIXPUPBR-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000133015858 173368605 /nfs/dbraw/zinc/36/86/05/173368605.db2.gz SJPJUMWIXPUPBR-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000042390540 173368946 /nfs/dbraw/zinc/36/89/46/173368946.db2.gz FSMMAXUTVHHBDC-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000042390540 173368947 /nfs/dbraw/zinc/36/89/47/173368947.db2.gz FSMMAXUTVHHBDC-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000070557926 173370648 /nfs/dbraw/zinc/37/06/48/173370648.db2.gz YCIMBKPKKBWKEW-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000070557926 173370649 /nfs/dbraw/zinc/37/06/49/173370649.db2.gz YCIMBKPKKBWKEW-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP COC1(C[NH2+]C[C@H](C)[N@H+](C)C2CC2)CCCC1 ZINC000319944907 174002878 /nfs/dbraw/zinc/00/28/78/174002878.db2.gz USMBTCBFQRYHOZ-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCCC1 ZINC000319944907 174002879 /nfs/dbraw/zinc/00/28/79/174002879.db2.gz USMBTCBFQRYHOZ-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP COCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122758973 174184911 /nfs/dbraw/zinc/18/49/11/174184911.db2.gz MRSIQNVFOCCWDB-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122758973 174184913 /nfs/dbraw/zinc/18/49/13/174184913.db2.gz MRSIQNVFOCCWDB-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COCCC[N@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000062037051 174216841 /nfs/dbraw/zinc/21/68/41/174216841.db2.gz OOSBQNFLRBGXJB-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000062037051 174216842 /nfs/dbraw/zinc/21/68/42/174216842.db2.gz OOSBQNFLRBGXJB-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180645596 174339902 /nfs/dbraw/zinc/33/99/02/174339902.db2.gz OSZVLESBCYETHG-GFCCVEGCSA-N 2 2 245.326 2.169 20 0 BEADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000112344496 175189040 /nfs/dbraw/zinc/18/90/40/175189040.db2.gz CLYSIKVNQZOINU-JTQLQIEISA-N 2 2 231.299 2.269 20 0 BEADLP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000063191522 175258907 /nfs/dbraw/zinc/25/89/07/175258907.db2.gz CQIAZQMTQQOZBZ-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000063191522 175258909 /nfs/dbraw/zinc/25/89/09/175258909.db2.gz CQIAZQMTQQOZBZ-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043327160 175287996 /nfs/dbraw/zinc/28/79/96/175287996.db2.gz DHAAABKCFFOTCZ-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043327157 175293035 /nfs/dbraw/zinc/29/30/35/175293035.db2.gz DHAAABKCFFOTCZ-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358407122 175293255 /nfs/dbraw/zinc/29/32/55/175293255.db2.gz SOYCXQGWPQFZHU-HUBLWGQQSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358407122 175293256 /nfs/dbraw/zinc/29/32/56/175293256.db2.gz SOYCXQGWPQFZHU-HUBLWGQQSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154559357 175344446 /nfs/dbraw/zinc/34/44/46/175344446.db2.gz WQCTWOUFMCWXNE-CHWSQXEVSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154559357 175344451 /nfs/dbraw/zinc/34/44/51/175344451.db2.gz WQCTWOUFMCWXNE-CHWSQXEVSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324501 175351467 /nfs/dbraw/zinc/35/14/67/175351467.db2.gz WWVSZGSXTMMFSZ-RYUDHWBXSA-N 2 2 234.343 2.098 20 0 BEADLP COc1cc[nH+]cc1Cn1cc[nH+]c1C(C)C ZINC000286513375 175372885 /nfs/dbraw/zinc/37/28/85/175372885.db2.gz MTSIJLJVPGPASI-UHFFFAOYSA-N 2 2 231.299 2.458 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361926227 175776658 /nfs/dbraw/zinc/77/66/58/175776658.db2.gz QKIWNUZROBSWRE-WCQYABFASA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000361926227 175776659 /nfs/dbraw/zinc/77/66/59/175776659.db2.gz QKIWNUZROBSWRE-WCQYABFASA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000289580566 176029746 /nfs/dbraw/zinc/02/97/46/176029746.db2.gz HHBQEENJBJKBQY-LBPRGKRZSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289580566 176029749 /nfs/dbraw/zinc/02/97/49/176029749.db2.gz HHBQEENJBJKBQY-LBPRGKRZSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000044417862 176075003 /nfs/dbraw/zinc/07/50/03/176075003.db2.gz HYITYJGCPKRCMF-CHWSQXEVSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000044417862 176075004 /nfs/dbraw/zinc/07/50/04/176075004.db2.gz HYITYJGCPKRCMF-CHWSQXEVSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020126760 176088464 /nfs/dbraw/zinc/08/84/64/176088464.db2.gz WRAGCZRZLICCPC-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346101488 176089144 /nfs/dbraw/zinc/08/91/44/176089144.db2.gz UEJVAOVQEDJOHQ-MGPQQGTHSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346101488 176089146 /nfs/dbraw/zinc/08/91/46/176089146.db2.gz UEJVAOVQEDJOHQ-MGPQQGTHSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000308692380 176090341 /nfs/dbraw/zinc/09/03/41/176090341.db2.gz AVTJRXXNPYPMOL-PWSUYJOCSA-N 2 2 207.321 2.468 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000336777609 176114192 /nfs/dbraw/zinc/11/41/92/176114192.db2.gz IZBDOKUIKQCSQA-LPWJVIDDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000336777609 176114193 /nfs/dbraw/zinc/11/41/93/176114193.db2.gz IZBDOKUIKQCSQA-LPWJVIDDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162803 176145446 /nfs/dbraw/zinc/14/54/46/176145446.db2.gz ZUECKLPEXPVAIG-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162803 176145449 /nfs/dbraw/zinc/14/54/49/176145449.db2.gz ZUECKLPEXPVAIG-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000355584108 176226848 /nfs/dbraw/zinc/22/68/48/176226848.db2.gz OWQVBIDMZHIGMF-CXTNEJHOSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000355584108 176226849 /nfs/dbraw/zinc/22/68/49/176226849.db2.gz OWQVBIDMZHIGMF-CXTNEJHOSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000309099457 176234434 /nfs/dbraw/zinc/23/44/34/176234434.db2.gz FCBOOAULYXSNTF-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000309099457 176234435 /nfs/dbraw/zinc/23/44/35/176234435.db2.gz FCBOOAULYXSNTF-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780501 176272869 /nfs/dbraw/zinc/27/28/69/176272869.db2.gz RNBNHPRLOXLMHM-YPMHNXCESA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780501 176272871 /nfs/dbraw/zinc/27/28/71/176272871.db2.gz RNBNHPRLOXLMHM-YPMHNXCESA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000358188141 176273865 /nfs/dbraw/zinc/27/38/65/176273865.db2.gz LBDLKTKUTCFSIN-OJLVUWQFSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000358188141 176273868 /nfs/dbraw/zinc/27/38/68/176273868.db2.gz LBDLKTKUTCFSIN-OJLVUWQFSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358363137 176275229 /nfs/dbraw/zinc/27/52/29/176275229.db2.gz GCMMIKXAKCDHJF-BYCMXARLSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358363137 176275230 /nfs/dbraw/zinc/27/52/30/176275230.db2.gz GCMMIKXAKCDHJF-BYCMXARLSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000309116230 176275248 /nfs/dbraw/zinc/27/52/48/176275248.db2.gz LQIFHRWIIGRYLV-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000309116230 176275249 /nfs/dbraw/zinc/27/52/49/176275249.db2.gz LQIFHRWIIGRYLV-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000336776997 176276903 /nfs/dbraw/zinc/27/69/03/176276903.db2.gz HDIWHFAMAVGCFW-GMTAPVOTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000336776997 176276905 /nfs/dbraw/zinc/27/69/05/176276905.db2.gz HDIWHFAMAVGCFW-GMTAPVOTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000358231331 176277302 /nfs/dbraw/zinc/27/73/02/176277302.db2.gz YVFBDDHZJQUKCO-VCTAVGKDSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000358231331 176277304 /nfs/dbraw/zinc/27/73/04/176277304.db2.gz YVFBDDHZJQUKCO-VCTAVGKDSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000309444029 176277334 /nfs/dbraw/zinc/27/73/34/176277334.db2.gz KTXPYOBYERKENC-TZMCWYRMSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000309444029 176277335 /nfs/dbraw/zinc/27/73/35/176277335.db2.gz KTXPYOBYERKENC-TZMCWYRMSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCCCCC1 ZINC000335604159 176277493 /nfs/dbraw/zinc/27/74/93/176277493.db2.gz TVUDFKIBHASMEC-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCCCCC1 ZINC000335604159 176277495 /nfs/dbraw/zinc/27/74/95/176277495.db2.gz TVUDFKIBHASMEC-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000336776999 176279048 /nfs/dbraw/zinc/27/90/48/176279048.db2.gz HDIWHFAMAVGCFW-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000336776999 176279049 /nfs/dbraw/zinc/27/90/49/176279049.db2.gz HDIWHFAMAVGCFW-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337489088 176281216 /nfs/dbraw/zinc/28/12/16/176281216.db2.gz UYTDXDSYMZPYQY-XBFCOCLRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337489088 176281218 /nfs/dbraw/zinc/28/12/18/176281218.db2.gz UYTDXDSYMZPYQY-XBFCOCLRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)[C@@H]1C ZINC000309824039 176281268 /nfs/dbraw/zinc/28/12/68/176281268.db2.gz WYYZSNFUFPDQBM-XMKDAVRRSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)[C@@H]1C ZINC000309824039 176281270 /nfs/dbraw/zinc/28/12/70/176281270.db2.gz WYYZSNFUFPDQBM-XMKDAVRRSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]1C[NH+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000271774607 176305517 /nfs/dbraw/zinc/30/55/17/176305517.db2.gz GTLZBJAWUCQIBS-VXGBXAGGSA-N 2 2 229.327 2.422 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCF ZINC000280910334 176305849 /nfs/dbraw/zinc/30/58/49/176305849.db2.gz CVYWVEQITVTBSG-TZMCWYRMSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCF ZINC000280910334 176305851 /nfs/dbraw/zinc/30/58/51/176305851.db2.gz CVYWVEQITVTBSG-TZMCWYRMSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCF ZINC000280908668 176306687 /nfs/dbraw/zinc/30/66/87/176306687.db2.gz CVYWVEQITVTBSG-OCCSQVGLSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCF ZINC000280908668 176306688 /nfs/dbraw/zinc/30/66/88/176306688.db2.gz CVYWVEQITVTBSG-OCCSQVGLSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360044 176317880 /nfs/dbraw/zinc/31/78/80/176317880.db2.gz INCURZNHJDLIOO-BREBYQMCSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360044 176317881 /nfs/dbraw/zinc/31/78/81/176317881.db2.gz INCURZNHJDLIOO-BREBYQMCSA-N 2 2 222.307 2.166 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000328242478 487633409 /nfs/dbraw/zinc/63/34/09/487633409.db2.gz ISYSJDBAELWGFT-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000328242478 487633416 /nfs/dbraw/zinc/63/34/16/487633416.db2.gz ISYSJDBAELWGFT-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000304522648 176355214 /nfs/dbraw/zinc/35/52/14/176355214.db2.gz PNBMMVITXUSQDU-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CSC[C@H]1C ZINC000304557874 176355665 /nfs/dbraw/zinc/35/56/65/176355665.db2.gz VKNWLFOXISCDAC-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)c2nccn21 ZINC000333334479 176374787 /nfs/dbraw/zinc/37/47/87/176374787.db2.gz WVOGFRFRMLYAQW-VXGBXAGGSA-N 2 2 248.374 2.140 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1c(F)cccc1F ZINC000342148859 176836957 /nfs/dbraw/zinc/83/69/57/176836957.db2.gz VSLBJLPYLOOUTN-VIFPVBQESA-N 2 2 240.297 2.497 20 0 BEADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[NH3+] ZINC000054416921 177033055 /nfs/dbraw/zinc/03/30/55/177033055.db2.gz LBCODIVCVXPYGL-SECBINFHSA-N 2 2 212.724 2.292 20 0 BEADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[NH3+] ZINC000054416921 177033057 /nfs/dbraw/zinc/03/30/57/177033057.db2.gz LBCODIVCVXPYGL-SECBINFHSA-N 2 2 212.724 2.292 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224201039 177033963 /nfs/dbraw/zinc/03/39/63/177033963.db2.gz ANXMSEUBCHWAGL-ZJUUUORDSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224201039 177033964 /nfs/dbraw/zinc/03/39/64/177033964.db2.gz ANXMSEUBCHWAGL-ZJUUUORDSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027903 177036353 /nfs/dbraw/zinc/03/63/53/177036353.db2.gz ZMDZCWJWCILZHW-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027903 177036354 /nfs/dbraw/zinc/03/63/54/177036354.db2.gz ZMDZCWJWCILZHW-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000022099050 177037032 /nfs/dbraw/zinc/03/70/32/177037032.db2.gz GTHPNDCSAMOKDH-LLVKDONJSA-N 2 2 222.307 2.182 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[NH2+]CC1 ZINC000022099050 177037033 /nfs/dbraw/zinc/03/70/33/177037033.db2.gz GTHPNDCSAMOKDH-LLVKDONJSA-N 2 2 222.307 2.182 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCCCC1 ZINC000053341472 177108820 /nfs/dbraw/zinc/10/88/20/177108820.db2.gz FAZFSQQPKRRHDR-LBPRGKRZSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCCCC1 ZINC000053341472 177108821 /nfs/dbraw/zinc/10/88/21/177108821.db2.gz FAZFSQQPKRRHDR-LBPRGKRZSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180188761 177110300 /nfs/dbraw/zinc/11/03/00/177110300.db2.gz CDYWLKVBUVKGMD-NSHDSACASA-N 2 2 215.300 2.319 20 0 BEADLP C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180188761 177110302 /nfs/dbraw/zinc/11/03/02/177110302.db2.gz CDYWLKVBUVKGMD-NSHDSACASA-N 2 2 215.300 2.319 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000040638504 177123064 /nfs/dbraw/zinc/12/30/64/177123064.db2.gz OWISOBHIGYUPGJ-NWDGAFQWSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCn1cc[nH+]c1 ZINC000041041891 177129684 /nfs/dbraw/zinc/12/96/84/177129684.db2.gz JQGSLULKYYFEEN-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000070829446 177142405 /nfs/dbraw/zinc/14/24/05/177142405.db2.gz WDEBAOKPZSZQDD-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1CC[N@H+](CC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000245623030 177159500 /nfs/dbraw/zinc/15/95/00/177159500.db2.gz OGSLGLURDJMZCT-WCQYABFASA-N 2 2 219.332 2.176 20 0 BEADLP C[C@H]1CC[N@@H+](CC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000245623030 177159502 /nfs/dbraw/zinc/15/95/02/177159502.db2.gz OGSLGLURDJMZCT-WCQYABFASA-N 2 2 219.332 2.176 20 0 BEADLP C[C@H]1CC[N@H+](CCCF)C[C@@H]1n1cc[nH+]c1 ZINC000129445658 177161248 /nfs/dbraw/zinc/16/12/48/177161248.db2.gz YNOPWPZFEVILRH-RYUDHWBXSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@H]1CC[N@@H+](CCCF)C[C@@H]1n1cc[nH+]c1 ZINC000129445658 177161250 /nfs/dbraw/zinc/16/12/50/177161250.db2.gz YNOPWPZFEVILRH-RYUDHWBXSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056413 177203464 /nfs/dbraw/zinc/20/34/64/177203464.db2.gz KPADEYLJJUXKPQ-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056413 177203465 /nfs/dbraw/zinc/20/34/65/177203465.db2.gz KPADEYLJJUXKPQ-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990899 177235707 /nfs/dbraw/zinc/23/57/07/177235707.db2.gz FJBGYYXFEAWINN-ZFWWWQNUSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(Cc2ccccc2)CC1 ZINC000359990899 177235708 /nfs/dbraw/zinc/23/57/08/177235708.db2.gz FJBGYYXFEAWINN-ZFWWWQNUSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375009 177236498 /nfs/dbraw/zinc/23/64/98/177236498.db2.gz CMZAEQWNEMALIF-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375009 177236500 /nfs/dbraw/zinc/23/65/00/177236500.db2.gz CMZAEQWNEMALIF-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358390335 177236504 /nfs/dbraw/zinc/23/65/04/177236504.db2.gz BXJZLSAGVJSFHN-SCRDCRAPSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358390335 177236506 /nfs/dbraw/zinc/23/65/06/177236506.db2.gz BXJZLSAGVJSFHN-SCRDCRAPSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603241 177237649 /nfs/dbraw/zinc/23/76/49/177237649.db2.gz ZPSYGOJKZKAOQQ-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603241 177237651 /nfs/dbraw/zinc/23/76/51/177237651.db2.gz ZPSYGOJKZKAOQQ-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805217 177240293 /nfs/dbraw/zinc/24/02/93/177240293.db2.gz RZEYRJGPWRSMGG-GWCFXTLKSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805217 177240294 /nfs/dbraw/zinc/24/02/94/177240294.db2.gz RZEYRJGPWRSMGG-GWCFXTLKSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805218 177242462 /nfs/dbraw/zinc/24/24/62/177242462.db2.gz RZEYRJGPWRSMGG-GXFFZTMASA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805218 177242464 /nfs/dbraw/zinc/24/24/64/177242464.db2.gz RZEYRJGPWRSMGG-GXFFZTMASA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1[NH3+] ZINC000235723908 177260317 /nfs/dbraw/zinc/26/03/17/177260317.db2.gz MTKNLJRVFYUIET-GWCFXTLKSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1[NH3+] ZINC000235723908 177260318 /nfs/dbraw/zinc/26/03/18/177260318.db2.gz MTKNLJRVFYUIET-GWCFXTLKSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000304522666 177305904 /nfs/dbraw/zinc/30/59/04/177305904.db2.gz PNBMMVITXUSQDU-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000336662317 177313911 /nfs/dbraw/zinc/31/39/11/177313911.db2.gz KHCPTQMYQDWMBE-AGIUHOORSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336662317 177313914 /nfs/dbraw/zinc/31/39/14/177313914.db2.gz KHCPTQMYQDWMBE-AGIUHOORSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+]2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000038086822 177327947 /nfs/dbraw/zinc/32/79/47/177327947.db2.gz WYVOBSMUFRIZQE-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[C@@H]([N@H+]2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000038086822 177327949 /nfs/dbraw/zinc/32/79/49/177327949.db2.gz WYVOBSMUFRIZQE-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309415419 177333433 /nfs/dbraw/zinc/33/34/33/177333433.db2.gz XHGOQNHXRXFECN-REWJHTLYSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@@H+]1C1CC1 ZINC000129883796 177333475 /nfs/dbraw/zinc/33/34/75/177333475.db2.gz HDTXYFWIKHMBQZ-CMPLNLGQSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@H+]1C1CC1 ZINC000129883796 177333477 /nfs/dbraw/zinc/33/34/77/177333477.db2.gz HDTXYFWIKHMBQZ-CMPLNLGQSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1C ZINC000355882793 177365059 /nfs/dbraw/zinc/36/50/59/177365059.db2.gz SLHQIAVTDHHKJT-VHSXEESVSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1C ZINC000355882793 177365060 /nfs/dbraw/zinc/36/50/60/177365060.db2.gz SLHQIAVTDHHKJT-VHSXEESVSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882793 177365062 /nfs/dbraw/zinc/36/50/62/177365062.db2.gz SLHQIAVTDHHKJT-VHSXEESVSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882793 177365063 /nfs/dbraw/zinc/36/50/63/177365063.db2.gz SLHQIAVTDHHKJT-VHSXEESVSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000229604448 177396970 /nfs/dbraw/zinc/39/69/70/177396970.db2.gz ZPEFNXVSBYBREX-NXEZZACHSA-N 2 2 230.315 2.115 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000469473015 225043877 /nfs/dbraw/zinc/04/38/77/225043877.db2.gz UEJVAOVQEDJOHQ-MJBXVCDLSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000469473015 225043880 /nfs/dbraw/zinc/04/38/80/225043880.db2.gz UEJVAOVQEDJOHQ-MJBXVCDLSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400364203 225098528 /nfs/dbraw/zinc/09/85/28/225098528.db2.gz DHPZBNNMDWNSHA-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487131105 225288730 /nfs/dbraw/zinc/28/87/30/225288730.db2.gz DMMRFPYGVXXHDH-CYBMUJFWSA-N 2 2 233.359 2.166 20 0 BEADLP Cc1cc[nH+]c(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487131105 225288733 /nfs/dbraw/zinc/28/87/33/225288733.db2.gz DMMRFPYGVXXHDH-CYBMUJFWSA-N 2 2 233.359 2.166 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(C)C ZINC000487266390 225294215 /nfs/dbraw/zinc/29/42/15/225294215.db2.gz CERZWUZIVZXLGR-XWUBHJNHSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CC1(C)C ZINC000487266390 225294219 /nfs/dbraw/zinc/29/42/19/225294219.db2.gz CERZWUZIVZXLGR-XWUBHJNHSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)CC1(F)F ZINC000494278474 226263291 /nfs/dbraw/zinc/26/32/91/226263291.db2.gz ADCXHFQSYZYLNO-NSHDSACASA-N 2 2 243.301 2.250 20 0 BEADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)CC1(F)F ZINC000494278474 226263292 /nfs/dbraw/zinc/26/32/92/226263292.db2.gz ADCXHFQSYZYLNO-NSHDSACASA-N 2 2 243.301 2.250 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000494884704 226270818 /nfs/dbraw/zinc/27/08/18/226270818.db2.gz YXLDBSQTGOESJI-YRGRVCCFSA-N 2 2 247.386 2.396 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000674913005 487653208 /nfs/dbraw/zinc/65/32/08/487653208.db2.gz UFPHQMPSBYREFB-UKRRQHHQSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000674913005 487653210 /nfs/dbraw/zinc/65/32/10/487653210.db2.gz UFPHQMPSBYREFB-UKRRQHHQSA-N 2 2 232.371 2.343 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1 ZINC000328309839 487654542 /nfs/dbraw/zinc/65/45/42/487654542.db2.gz BICWNGZKIMJOSU-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1 ZINC000328309839 487654544 /nfs/dbraw/zinc/65/45/44/487654544.db2.gz BICWNGZKIMJOSU-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)CC)C1 ZINC000328309838 487654614 /nfs/dbraw/zinc/65/46/14/487654614.db2.gz BICWNGZKIMJOSU-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)CC)C1 ZINC000328309838 487654616 /nfs/dbraw/zinc/65/46/16/487654616.db2.gz BICWNGZKIMJOSU-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000328177208 487660096 /nfs/dbraw/zinc/66/00/96/487660096.db2.gz LPLVWCWLVVZINO-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000328177208 487660099 /nfs/dbraw/zinc/66/00/99/487660099.db2.gz LPLVWCWLVVZINO-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CC(CC)CC)C1 ZINC000328465348 487694020 /nfs/dbraw/zinc/69/40/20/487694020.db2.gz JALCGXQZGFMRMA-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CC(CC)CC)C1 ZINC000328465348 487694022 /nfs/dbraw/zinc/69/40/22/487694022.db2.gz JALCGXQZGFMRMA-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328470623 487694167 /nfs/dbraw/zinc/69/41/67/487694167.db2.gz LBUBOMRVIJAPCX-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328470623 487694172 /nfs/dbraw/zinc/69/41/72/487694172.db2.gz LBUBOMRVIJAPCX-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CCc1nc(C[NH2+]CC2([NH3+])CCCC2)cs1 ZINC000328476652 487697386 /nfs/dbraw/zinc/69/73/86/487697386.db2.gz OQALDZYPIBKGTK-UHFFFAOYSA-N 2 2 239.388 2.067 20 0 BEADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527866923 262886133 /nfs/dbraw/zinc/88/61/33/262886133.db2.gz DNYJWHHTDUMZGV-RFGFWPKPSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527866923 262886135 /nfs/dbraw/zinc/88/61/35/262886135.db2.gz DNYJWHHTDUMZGV-RFGFWPKPSA-N 2 2 236.403 2.493 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCC3)CC1 ZINC000397802844 262934590 /nfs/dbraw/zinc/93/45/90/262934590.db2.gz CXOFDHRPBTWIGL-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000398004301 262941849 /nfs/dbraw/zinc/94/18/49/262941849.db2.gz UWSSEJSANBJHQH-CQSZACIVSA-N 2 2 230.355 2.358 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000328523535 487703851 /nfs/dbraw/zinc/70/38/51/487703851.db2.gz SKMHKHDBHHXOOT-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000328523535 487703854 /nfs/dbraw/zinc/70/38/54/487703854.db2.gz SKMHKHDBHHXOOT-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)CCO1 ZINC000097928654 487705165 /nfs/dbraw/zinc/70/51/65/487705165.db2.gz ZFOCLYUTOQXPHU-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP [NH3+]CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000082790935 487734344 /nfs/dbraw/zinc/73/43/44/487734344.db2.gz YKZXIOIWIWCEBF-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP [NH3+]CCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000082790935 487734352 /nfs/dbraw/zinc/73/43/52/487734352.db2.gz YKZXIOIWIWCEBF-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000513677795 487740615 /nfs/dbraw/zinc/74/06/15/487740615.db2.gz BZAFMKXAUVBUFH-CYUUQNCZSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000513677795 487740616 /nfs/dbraw/zinc/74/06/16/487740616.db2.gz BZAFMKXAUVBUFH-CYUUQNCZSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000675548668 487745523 /nfs/dbraw/zinc/74/55/23/487745523.db2.gz YKMYTNKYZQVGND-LBPRGKRZSA-N 2 2 246.358 2.050 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000675548668 487745529 /nfs/dbraw/zinc/74/55/29/487745529.db2.gz YKMYTNKYZQVGND-LBPRGKRZSA-N 2 2 246.358 2.050 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000414950785 487774247 /nfs/dbraw/zinc/77/42/47/487774247.db2.gz IAOSCCIUIHQJLL-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC000414957761 487776594 /nfs/dbraw/zinc/77/65/94/487776594.db2.gz ONZZKGXSCRKQAL-MRVPVSSYSA-N 2 2 232.780 2.489 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H]1C[C@@H]1C ZINC000322052966 487780965 /nfs/dbraw/zinc/78/09/65/487780965.db2.gz PRHWNETXHQNQFQ-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@@H]1C ZINC000322052966 487780970 /nfs/dbraw/zinc/78/09/70/487780970.db2.gz PRHWNETXHQNQFQ-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000385689969 487794991 /nfs/dbraw/zinc/79/49/91/487794991.db2.gz DPFVCLBCZIXVAJ-HNNXBMFYSA-N 2 2 244.382 2.228 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000385689969 487794997 /nfs/dbraw/zinc/79/49/97/487794997.db2.gz DPFVCLBCZIXVAJ-HNNXBMFYSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000669613620 487826049 /nfs/dbraw/zinc/82/60/49/487826049.db2.gz INGIEDCAVYEVAG-MCIGGMRASA-N 2 2 246.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000669613620 487826055 /nfs/dbraw/zinc/82/60/55/487826055.db2.gz INGIEDCAVYEVAG-MCIGGMRASA-N 2 2 246.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000669613619 487826079 /nfs/dbraw/zinc/82/60/79/487826079.db2.gz INGIEDCAVYEVAG-HTAVTVPLSA-N 2 2 246.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000669613619 487826085 /nfs/dbraw/zinc/82/60/85/487826085.db2.gz INGIEDCAVYEVAG-HTAVTVPLSA-N 2 2 246.345 2.494 20 0 BEADLP CN(CC[NH+](C)C)c1cc(C(C)(C)C)cc[nH+]1 ZINC000146469497 487836602 /nfs/dbraw/zinc/83/66/02/487836602.db2.gz PQCVIFLITAPBKO-UHFFFAOYSA-N 2 2 235.375 2.377 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)c(F)c1 ZINC000233454278 487852120 /nfs/dbraw/zinc/85/21/20/487852120.db2.gz JKXAMSQXNAQQMT-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(F)c1 ZINC000233454278 487852124 /nfs/dbraw/zinc/85/21/24/487852124.db2.gz JKXAMSQXNAQQMT-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666768527 487853883 /nfs/dbraw/zinc/85/38/83/487853883.db2.gz ISEWXSLEQUHMGD-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668153495 487854546 /nfs/dbraw/zinc/85/45/46/487854546.db2.gz QPKXNYUMZJQEDC-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000566088132 322956448 /nfs/dbraw/zinc/95/64/48/322956448.db2.gz BWRXRWXHIXUHLA-CQSZACIVSA-N 2 2 248.370 2.272 20 0 BEADLP CC(C)C([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000379911301 487865536 /nfs/dbraw/zinc/86/55/36/487865536.db2.gz MWRLCCSCXBRAFG-GFCCVEGCSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C([NH2+]C[C@H]1CCC[N@H+]1C)C(C)C ZINC000379911301 487865542 /nfs/dbraw/zinc/86/55/42/487865542.db2.gz MWRLCCSCXBRAFG-GFCCVEGCSA-N 2 2 212.381 2.351 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2nccs2)CCCCCC1 ZINC000666808163 487865944 /nfs/dbraw/zinc/86/59/44/487865944.db2.gz GEQPXQMLNADAJK-UHFFFAOYSA-N 2 2 239.388 2.284 20 0 BEADLP COCc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000234721180 487868669 /nfs/dbraw/zinc/86/86/69/487868669.db2.gz SPEPRHRBJOJYDT-HNNXBMFYSA-N 2 2 248.370 2.065 20 0 BEADLP COCCC[N@H+](C)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000670267788 487875878 /nfs/dbraw/zinc/87/58/78/487875878.db2.gz UFURNSJWAQZDPK-ZDUSSCGKSA-N 2 2 244.423 2.227 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000670267788 487875886 /nfs/dbraw/zinc/87/58/86/487875886.db2.gz UFURNSJWAQZDPK-ZDUSSCGKSA-N 2 2 244.423 2.227 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000666770861 487876835 /nfs/dbraw/zinc/87/68/35/487876835.db2.gz WAEOCTVSVGERHN-OAHLLOKOSA-N 2 2 247.386 2.054 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000666770861 487876842 /nfs/dbraw/zinc/87/68/42/487876842.db2.gz WAEOCTVSVGERHN-OAHLLOKOSA-N 3 2 247.386 2.054 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234899012 487887429 /nfs/dbraw/zinc/88/74/29/487887429.db2.gz GEPRHIBSVONAPJ-STQMWFEESA-N 2 2 248.370 2.488 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2nccc3ccccc32)CCC1 ZINC000666828778 487888211 /nfs/dbraw/zinc/88/82/11/487888211.db2.gz SALLCXNJQLNULA-UHFFFAOYSA-N 2 2 241.338 2.206 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948150 487890978 /nfs/dbraw/zinc/89/09/78/487890978.db2.gz STUKLPIHNUCHDC-AGIUHOORSA-N 2 2 230.371 2.491 20 0 BEADLP CCOc1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668538202 487902685 /nfs/dbraw/zinc/90/26/85/487902685.db2.gz WHIDEDWZGVPBCU-UHFFFAOYSA-N 2 2 248.370 2.079 20 0 BEADLP CCOc1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668538202 487902689 /nfs/dbraw/zinc/90/26/89/487902689.db2.gz WHIDEDWZGVPBCU-UHFFFAOYSA-N 2 2 248.370 2.079 20 0 BEADLP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(C)c1O ZINC000668538985 487904006 /nfs/dbraw/zinc/90/40/06/487904006.db2.gz JDSNGGBTMZYVPU-UHFFFAOYSA-N 2 2 248.370 2.002 20 0 BEADLP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(C)c1O ZINC000668538985 487904010 /nfs/dbraw/zinc/90/40/10/487904010.db2.gz JDSNGGBTMZYVPU-UHFFFAOYSA-N 2 2 248.370 2.002 20 0 BEADLP C[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C(C)(C)C ZINC000666916736 487904501 /nfs/dbraw/zinc/90/45/01/487904501.db2.gz JSRYLONCSCQHEH-BDAKNGLRSA-N 2 2 222.323 2.241 20 0 BEADLP C[C@H]1CCC[C@@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539978 487905179 /nfs/dbraw/zinc/90/51/79/487905179.db2.gz SEHLCDFHNFLCEP-QWHCGFSZSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@H]1CCC[C@@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539978 487905182 /nfs/dbraw/zinc/90/51/82/487905182.db2.gz SEHLCDFHNFLCEP-QWHCGFSZSA-N 2 2 224.392 2.306 20 0 BEADLP C[N@H+](C/C=C\c1ccccc1)CC1C[NH+](C)C1 ZINC000668539956 487905231 /nfs/dbraw/zinc/90/52/31/487905231.db2.gz RLCVAYQDIXVGPW-TWGQIWQCSA-N 2 2 230.355 2.193 20 0 BEADLP C[N@@H+](C/C=C\c1ccccc1)CC1C[NH+](C)C1 ZINC000668539956 487905234 /nfs/dbraw/zinc/90/52/34/487905234.db2.gz RLCVAYQDIXVGPW-TWGQIWQCSA-N 2 2 230.355 2.193 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539863 487906489 /nfs/dbraw/zinc/90/64/89/487906489.db2.gz OPBRRGRTHHPEPQ-GXTWGEPZSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539863 487906492 /nfs/dbraw/zinc/90/64/92/487906492.db2.gz OPBRRGRTHHPEPQ-GXTWGEPZSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539866 487906705 /nfs/dbraw/zinc/90/67/05/487906705.db2.gz OPBRRGRTHHPEPQ-TZMCWYRMSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539866 487906706 /nfs/dbraw/zinc/90/67/06/487906706.db2.gz OPBRRGRTHHPEPQ-TZMCWYRMSA-N 2 2 224.392 2.306 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000666946720 487908432 /nfs/dbraw/zinc/90/84/32/487908432.db2.gz NEBJJZMSRVNFQC-XUXIUFHCSA-N 2 2 240.366 2.245 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H]1C ZINC000666946779 487909991 /nfs/dbraw/zinc/90/99/91/487909991.db2.gz QCHGBCYCCIYDPR-MOLYVOAJSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945544 487910484 /nfs/dbraw/zinc/91/04/84/487910484.db2.gz WMGYWNYGIXKCFM-RNJOBUHISA-N 2 2 228.355 2.102 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC000666945420 487910065 /nfs/dbraw/zinc/91/00/65/487910065.db2.gz PAUOAJPBQBFSPL-RYUDHWBXSA-N 2 2 248.301 2.222 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666946541 487911015 /nfs/dbraw/zinc/91/10/15/487911015.db2.gz ICFQFSXWYCIBBT-RVMXOQNASA-N 2 2 228.355 2.245 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000666946478 487911476 /nfs/dbraw/zinc/91/14/76/487911476.db2.gz DRXRJGBFFSZWSE-IGQOVBAYSA-N 2 2 240.366 2.245 20 0 BEADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946491 487911778 /nfs/dbraw/zinc/91/17/78/487911778.db2.gz FLALPCMRZLAJSP-CYDGBPFRSA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417361056 487925195 /nfs/dbraw/zinc/92/51/95/487925195.db2.gz YGKJHOMKCZFTPE-NWDGAFQWSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000652352589 487930367 /nfs/dbraw/zinc/93/03/67/487930367.db2.gz BSJUPXMOFPDKBR-OBJOEFQTSA-N 2 2 249.358 2.105 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000652352589 487930372 /nfs/dbraw/zinc/93/03/72/487930372.db2.gz BSJUPXMOFPDKBR-OBJOEFQTSA-N 2 2 249.358 2.105 20 0 BEADLP Cc1cc(C[NH2+]CCc2cc[nH+]cc2C)ccn1 ZINC000397540513 487949773 /nfs/dbraw/zinc/94/97/73/487949773.db2.gz NIRLFSGFQUGZDA-UHFFFAOYSA-N 2 2 241.338 2.426 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCCOC(C)C)n1C ZINC000566496517 323003190 /nfs/dbraw/zinc/00/31/90/323003190.db2.gz IMVOGXAUWQCBIG-UHFFFAOYSA-N 2 2 239.363 2.023 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000247096037 323012111 /nfs/dbraw/zinc/01/21/11/323012111.db2.gz SALFHTSMIZTBTQ-SRVKXCTJSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000247096037 323012112 /nfs/dbraw/zinc/01/21/12/323012112.db2.gz SALFHTSMIZTBTQ-SRVKXCTJSA-N 2 2 212.381 2.493 20 0 BEADLP CCC[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000564736284 323014421 /nfs/dbraw/zinc/01/44/21/323014421.db2.gz NQRFKYRAPDDCRK-NWDGAFQWSA-N 2 2 221.348 2.398 20 0 BEADLP CCC[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000564736284 323014422 /nfs/dbraw/zinc/01/44/22/323014422.db2.gz NQRFKYRAPDDCRK-NWDGAFQWSA-N 2 2 221.348 2.398 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000562682743 323027262 /nfs/dbraw/zinc/02/72/62/323027262.db2.gz AAPBEIVCBWXXPY-LLVKDONJSA-N 2 2 249.383 2.245 20 0 BEADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCCO1 ZINC000570679695 323066587 /nfs/dbraw/zinc/06/65/87/323066587.db2.gz UZDOBFSGOZMNDR-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CC1(C)C ZINC000397760540 323091842 /nfs/dbraw/zinc/09/18/42/323091842.db2.gz DXMVOKVSTASWPL-GHMZBOCLSA-N 2 2 207.321 2.324 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000563422148 323124176 /nfs/dbraw/zinc/12/41/76/323124176.db2.gz VJHXYTPGBOQQAI-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP COc1ccc2c(c1)CCC[N@@H+](CC(C)(C)[NH3+])C2 ZINC000571209349 323138563 /nfs/dbraw/zinc/13/85/63/323138563.db2.gz TVIGNPVWDJHWFI-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP COc1ccc2c(c1)CCC[N@H+](CC(C)(C)[NH3+])C2 ZINC000571209349 323138564 /nfs/dbraw/zinc/13/85/64/323138564.db2.gz TVIGNPVWDJHWFI-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000308824571 323179400 /nfs/dbraw/zinc/17/94/00/323179400.db2.gz DGYBHMZVWBAVEN-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000308824571 323179401 /nfs/dbraw/zinc/17/94/01/323179401.db2.gz DGYBHMZVWBAVEN-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397665613 323184980 /nfs/dbraw/zinc/18/49/80/323184980.db2.gz PACUPNNQXXEOFE-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529669718 323185815 /nfs/dbraw/zinc/18/58/15/323185815.db2.gz OEUQRPASGIDEDG-DYEKYZERSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000529669718 323185816 /nfs/dbraw/zinc/18/58/16/323185816.db2.gz OEUQRPASGIDEDG-DYEKYZERSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000051575158 323190000 /nfs/dbraw/zinc/19/00/00/323190000.db2.gz PSSGSJPJXJKVGD-NJZAAPMLSA-N 2 2 247.386 2.208 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000051575158 323190001 /nfs/dbraw/zinc/19/00/01/323190001.db2.gz PSSGSJPJXJKVGD-NJZAAPMLSA-N 2 2 247.386 2.208 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000161193239 323196032 /nfs/dbraw/zinc/19/60/32/323196032.db2.gz NSXOWJNKSFOQRK-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cscn1 ZINC000161193239 323196033 /nfs/dbraw/zinc/19/60/33/323196033.db2.gz NSXOWJNKSFOQRK-MNOVXSKESA-N 2 2 239.388 2.136 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000399127251 323197495 /nfs/dbraw/zinc/19/74/95/323197495.db2.gz RFTZOYMKXXNCDR-FRRDWIJNSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000399127251 323197496 /nfs/dbraw/zinc/19/74/96/323197496.db2.gz RFTZOYMKXXNCDR-FRRDWIJNSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H]([N@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000536573167 323197891 /nfs/dbraw/zinc/19/78/91/323197891.db2.gz APKTVVLZBTVKEQ-LLVKDONJSA-N 2 2 209.337 2.250 20 0 BEADLP C[C@@H]([N@@H+](C)CCn1cc[nH+]c1)C(C)(C)C ZINC000536573167 323197892 /nfs/dbraw/zinc/19/78/92/323197892.db2.gz APKTVVLZBTVKEQ-LLVKDONJSA-N 2 2 209.337 2.250 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000116386730 323205041 /nfs/dbraw/zinc/20/50/41/323205041.db2.gz GEADAQSZHXOSHJ-HUUCEWRRSA-N 2 2 232.371 2.301 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000116386730 323205042 /nfs/dbraw/zinc/20/50/42/323205042.db2.gz GEADAQSZHXOSHJ-HUUCEWRRSA-N 2 2 232.371 2.301 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccoc1 ZINC000532246406 323212153 /nfs/dbraw/zinc/21/21/53/323212153.db2.gz OJKBEMFLNULCKE-UHIISALHSA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccoc1 ZINC000532246406 323212154 /nfs/dbraw/zinc/21/21/54/323212154.db2.gz OJKBEMFLNULCKE-UHIISALHSA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(O)c1 ZINC000530219771 323217822 /nfs/dbraw/zinc/21/78/22/323217822.db2.gz MVTLXEKSFVAANX-SMDDNHRTSA-N 2 2 246.354 2.327 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000532523014 323272230 /nfs/dbraw/zinc/27/22/30/323272230.db2.gz QFFZZQWSPSCIOL-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000532523014 323272234 /nfs/dbraw/zinc/27/22/34/323272234.db2.gz QFFZZQWSPSCIOL-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000532523011 323272511 /nfs/dbraw/zinc/27/25/11/323272511.db2.gz QFFZZQWSPSCIOL-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000532523011 323272513 /nfs/dbraw/zinc/27/25/13/323272513.db2.gz QFFZZQWSPSCIOL-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000309360444 323344930 /nfs/dbraw/zinc/34/49/30/323344930.db2.gz AKTPZPUUMHDKLY-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000309360444 323344931 /nfs/dbraw/zinc/34/49/31/323344931.db2.gz AKTPZPUUMHDKLY-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000309374076 323349142 /nfs/dbraw/zinc/34/91/42/323349142.db2.gz CKGJNTKBXXYNGR-JHJVBQTASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000309374076 323349146 /nfs/dbraw/zinc/34/91/46/323349146.db2.gz CKGJNTKBXXYNGR-JHJVBQTASA-N 2 2 224.392 2.352 20 0 BEADLP Cc1[nH+]cc(CNc2ccc[nH+]c2C)n1C ZINC000571939686 323510215 /nfs/dbraw/zinc/51/02/15/323510215.db2.gz OIWYXYAEOUUQOD-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP CCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094433 323836480 /nfs/dbraw/zinc/83/64/80/323836480.db2.gz VPZRVJYJYRRTMS-GFCCVEGCSA-N 2 2 209.337 2.442 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000459370120 324146186 /nfs/dbraw/zinc/14/61/86/324146186.db2.gz WYCLBQYIDVDAHE-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000459370120 324146189 /nfs/dbraw/zinc/14/61/89/324146189.db2.gz WYCLBQYIDVDAHE-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400796075 324169053 /nfs/dbraw/zinc/16/90/53/324169053.db2.gz SUWIYEUAVOZYPO-IUODEOHRSA-N 2 2 232.371 2.479 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400796078 324169184 /nfs/dbraw/zinc/16/91/84/324169184.db2.gz SUWIYEUAVOZYPO-WFASDCNBSA-N 2 2 232.371 2.479 20 0 BEADLP Cn1c[nH+]cc1CCCn1cc[nH+]c1C1CC1 ZINC000530131074 324491059 /nfs/dbraw/zinc/49/10/59/324491059.db2.gz WVGNTBCDQMJMRV-UHFFFAOYSA-N 2 2 230.315 2.127 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530178656 324509854 /nfs/dbraw/zinc/50/98/54/324509854.db2.gz PKQKAFYZSOQFTR-AWEZNQCLSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178772 324510548 /nfs/dbraw/zinc/51/05/48/324510548.db2.gz QVLKOUJOPGWRQK-CQSZACIVSA-N 2 2 230.355 2.369 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cncc(F)c1 ZINC000530216638 324532198 /nfs/dbraw/zinc/53/21/98/324532198.db2.gz CPKKOXXOCUYLQT-MFKMUULPSA-N 2 2 249.333 2.156 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000530217800 324534900 /nfs/dbraw/zinc/53/49/00/324534900.db2.gz CKTJMYQSLZVUQZ-NSHDSACASA-N 2 2 242.326 2.048 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cn2)CC1 ZINC000126954807 324734723 /nfs/dbraw/zinc/73/47/23/324734723.db2.gz LZBMTVOKUMWHJV-UHFFFAOYSA-N 2 2 247.386 2.354 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000130184166 325022679 /nfs/dbraw/zinc/02/26/79/325022679.db2.gz VESDSDPLAUHMIS-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000130909891 325100962 /nfs/dbraw/zinc/10/09/62/325100962.db2.gz NWYSRYVLAYVXAQ-NWDGAFQWSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000130909891 325100966 /nfs/dbraw/zinc/10/09/66/325100966.db2.gz NWYSRYVLAYVXAQ-NWDGAFQWSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000130910315 325101006 /nfs/dbraw/zinc/10/10/06/325101006.db2.gz NWYSRYVLAYVXAQ-RYUDHWBXSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000130910315 325101010 /nfs/dbraw/zinc/10/10/10/325101010.db2.gz NWYSRYVLAYVXAQ-RYUDHWBXSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131130074 325120899 /nfs/dbraw/zinc/12/08/99/325120899.db2.gz CSGMTJNQLGQCPH-FZMZJTMJSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131130074 325120901 /nfs/dbraw/zinc/12/09/01/325120901.db2.gz CSGMTJNQLGQCPH-FZMZJTMJSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000545899549 325244616 /nfs/dbraw/zinc/24/46/16/325244616.db2.gz YYVXKFFFTBMAMB-ZDUSSCGKSA-N 2 2 244.382 2.085 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2Cc3ccccc3C2)C1 ZINC000545899549 325244618 /nfs/dbraw/zinc/24/46/18/325244618.db2.gz YYVXKFFFTBMAMB-ZDUSSCGKSA-N 2 2 244.382 2.085 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccoc1 ZINC000547979720 325417391 /nfs/dbraw/zinc/41/73/91/325417391.db2.gz VILGRJMCBXBGQI-CMPLNLGQSA-N 2 2 231.299 2.142 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000564828068 325813604 /nfs/dbraw/zinc/81/36/04/325813604.db2.gz WHGFMXHNQAITPQ-FZMZJTMJSA-N 2 2 248.370 2.392 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)n1C ZINC000565242158 325884726 /nfs/dbraw/zinc/88/47/26/325884726.db2.gz KWUNQOLOINLNGP-QWHCGFSZSA-N 2 2 219.332 2.007 20 0 BEADLP Cc1[nH]c(CNc2cccc(C)[nH+]2)[nH+]c1C ZINC000565785640 325958155 /nfs/dbraw/zinc/95/81/55/325958155.db2.gz BAAXUAGQVZZSFF-UHFFFAOYSA-N 2 2 216.288 2.342 20 0 BEADLP Cn1c[nH+]cc1CCC[NH+]1Cc2ccccc2C1 ZINC000566419450 326043291 /nfs/dbraw/zinc/04/32/91/326043291.db2.gz UOZZMQMCFSKDIJ-UHFFFAOYSA-N 2 2 241.338 2.369 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000566678091 326073558 /nfs/dbraw/zinc/07/35/58/326073558.db2.gz PYLOLBKUKAIMRC-CZXHOFHRSA-N 2 2 240.366 2.339 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000566678091 326073559 /nfs/dbraw/zinc/07/35/59/326073559.db2.gz PYLOLBKUKAIMRC-CZXHOFHRSA-N 2 2 240.366 2.339 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000154294313 326138633 /nfs/dbraw/zinc/13/86/33/326138633.db2.gz CJKZYYYVKLFKEJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000154294313 326138636 /nfs/dbraw/zinc/13/86/36/326138636.db2.gz CJKZYYYVKLFKEJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)nc1 ZINC000154294313 326138638 /nfs/dbraw/zinc/13/86/38/326138638.db2.gz CJKZYYYVKLFKEJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)nc1 ZINC000154294313 326138641 /nfs/dbraw/zinc/13/86/41/326138641.db2.gz CJKZYYYVKLFKEJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccoc1 ZINC000156588518 326236070 /nfs/dbraw/zinc/23/60/70/326236070.db2.gz RJCUMBXSTMAIGQ-MDZLAQPJSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccoc1 ZINC000156588518 326236072 /nfs/dbraw/zinc/23/60/72/326236072.db2.gz RJCUMBXSTMAIGQ-MDZLAQPJSA-N 2 2 222.332 2.413 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cscn1 ZINC000568254088 326335364 /nfs/dbraw/zinc/33/53/64/326335364.db2.gz DFHZZLZHPCXYGF-OPRDCNLKSA-N 2 2 225.361 2.064 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000568769281 326376682 /nfs/dbraw/zinc/37/66/82/326376682.db2.gz DXXSELNGPMJMHV-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000568769281 326376683 /nfs/dbraw/zinc/37/66/83/326376683.db2.gz DXXSELNGPMJMHV-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000568769282 326376734 /nfs/dbraw/zinc/37/67/34/326376734.db2.gz DXXSELNGPMJMHV-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000568769282 326376735 /nfs/dbraw/zinc/37/67/35/326376735.db2.gz DXXSELNGPMJMHV-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000653625938 487995194 /nfs/dbraw/zinc/99/51/94/487995194.db2.gz YBDIMSUEEJZTGS-OCCSQVGLSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000653625938 487995196 /nfs/dbraw/zinc/99/51/96/487995196.db2.gz YBDIMSUEEJZTGS-OCCSQVGLSA-N 2 2 233.359 2.227 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400539176 533712237 /nfs/dbraw/zinc/71/22/37/533712237.db2.gz ULHQOUWLRYTIMM-JMSVASOKSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccccc3C2)n1C ZINC000667462084 488015181 /nfs/dbraw/zinc/01/51/81/488015181.db2.gz YNXNVWHEXQGLIC-UHFFFAOYSA-N 2 2 241.338 2.287 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCc3ccccc3C2)n1C ZINC000667462084 488015184 /nfs/dbraw/zinc/01/51/84/488015184.db2.gz YNXNVWHEXQGLIC-UHFFFAOYSA-N 2 2 241.338 2.287 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000667472784 488019007 /nfs/dbraw/zinc/01/90/07/488019007.db2.gz PGAMBFOVIVEIFB-PHIMTYICSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000667472784 488019011 /nfs/dbraw/zinc/01/90/11/488019011.db2.gz PGAMBFOVIVEIFB-PHIMTYICSA-N 2 2 221.348 2.206 20 0 BEADLP CCC[NH+](CCC)Cc1c[nH+]c(C)n1C ZINC000667472898 488019315 /nfs/dbraw/zinc/01/93/15/488019315.db2.gz VCAZFSYTOMXEEZ-UHFFFAOYSA-N 2 2 209.337 2.351 20 0 BEADLP CCC[C@H](C)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667506810 488033404 /nfs/dbraw/zinc/03/34/04/488033404.db2.gz NTDMZLPHSQVKIY-JTQLQIEISA-N 2 2 209.337 2.349 20 0 BEADLP CCC[C@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667506810 488033405 /nfs/dbraw/zinc/03/34/05/488033405.db2.gz NTDMZLPHSQVKIY-JTQLQIEISA-N 2 2 209.337 2.349 20 0 BEADLP CC[C@@H](C)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667529752 488038529 /nfs/dbraw/zinc/03/85/29/488038529.db2.gz BMFWZEIZJVEGNH-SNVBAGLBSA-N 2 2 209.337 2.206 20 0 BEADLP CC[C@@H](C)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667529752 488038534 /nfs/dbraw/zinc/03/85/34/488038534.db2.gz BMFWZEIZJVEGNH-SNVBAGLBSA-N 2 2 209.337 2.206 20 0 BEADLP CCC(C)(C)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667616725 488059676 /nfs/dbraw/zinc/05/96/76/488059676.db2.gz XYUBJVLURAWRLO-UHFFFAOYSA-N 2 2 209.337 2.349 20 0 BEADLP CCC(C)(C)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667616725 488059678 /nfs/dbraw/zinc/05/96/78/488059678.db2.gz XYUBJVLURAWRLO-UHFFFAOYSA-N 2 2 209.337 2.349 20 0 BEADLP c1[nH+]c2n(c1C[NH+]1C[C@@H]3CCC[C@H]3C1)CCC2 ZINC000667642910 488067288 /nfs/dbraw/zinc/06/72/88/488067288.db2.gz NZYLVVWSDUDSJF-RYUDHWBXSA-N 2 2 231.343 2.061 20 0 BEADLP Cc1[nH+]cn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000319813690 488070018 /nfs/dbraw/zinc/07/00/18/488070018.db2.gz VHOGIHOXDZWPMX-TXEJJXNPSA-N 2 2 235.375 2.478 20 0 BEADLP Cc1[nH+]cn(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000319813690 488070024 /nfs/dbraw/zinc/07/00/24/488070024.db2.gz VHOGIHOXDZWPMX-TXEJJXNPSA-N 2 2 235.375 2.478 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000401836501 488070145 /nfs/dbraw/zinc/07/01/45/488070145.db2.gz LLBOHOWLBNECHD-NJZAAPMLSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)n1C ZINC000667650364 488072282 /nfs/dbraw/zinc/07/22/82/488072282.db2.gz VRLAMHKETDPMAM-MNOVXSKESA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650786 488074684 /nfs/dbraw/zinc/07/46/84/488074684.db2.gz DLOFNPKVEOFGKZ-NEPJUHHUSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650786 488074686 /nfs/dbraw/zinc/07/46/86/488074686.db2.gz DLOFNPKVEOFGKZ-NEPJUHHUSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@]1(C)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667682324 488084199 /nfs/dbraw/zinc/08/41/99/488084199.db2.gz HGGHNZHGMCGXBE-CYBMUJFWSA-N 2 2 221.348 2.351 20 0 BEADLP CC[C@]1(C)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667682324 488084202 /nfs/dbraw/zinc/08/42/02/488084202.db2.gz HGGHNZHGMCGXBE-CYBMUJFWSA-N 2 2 221.348 2.351 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000335291769 488088665 /nfs/dbraw/zinc/08/86/65/488088665.db2.gz WGTNUNTUFKPPHP-AWEZNQCLSA-N 2 2 227.311 2.367 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000335291769 488088668 /nfs/dbraw/zinc/08/86/68/488088668.db2.gz WGTNUNTUFKPPHP-AWEZNQCLSA-N 2 2 227.311 2.367 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000389402018 488094421 /nfs/dbraw/zinc/09/44/21/488094421.db2.gz PVJXDKVBJJRZEQ-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000389402018 488094425 /nfs/dbraw/zinc/09/44/25/488094425.db2.gz PVJXDKVBJJRZEQ-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434247 488096847 /nfs/dbraw/zinc/09/68/47/488096847.db2.gz ZKVZSAFQNLLGAM-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434247 488096850 /nfs/dbraw/zinc/09/68/50/488096850.db2.gz ZKVZSAFQNLLGAM-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000389589059 488102334 /nfs/dbraw/zinc/10/23/34/488102334.db2.gz ZKVZSAFQNLLGAM-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000389589059 488102336 /nfs/dbraw/zinc/10/23/36/488102336.db2.gz ZKVZSAFQNLLGAM-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[C@@H]1CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667758631 488108171 /nfs/dbraw/zinc/10/81/71/488108171.db2.gz KKXCABPUUFZEKN-LBPRGKRZSA-N 2 2 219.332 2.060 20 0 BEADLP CC(C)[C@@H]1CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667758631 488108175 /nfs/dbraw/zinc/10/81/75/488108175.db2.gz KKXCABPUUFZEKN-LBPRGKRZSA-N 2 2 219.332 2.060 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000668682341 488112127 /nfs/dbraw/zinc/11/21/27/488112127.db2.gz FDRKRHNBKZXSMX-IYXRBSQSSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000668682341 488112131 /nfs/dbraw/zinc/11/21/31/488112131.db2.gz FDRKRHNBKZXSMX-IYXRBSQSSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000076679571 488129293 /nfs/dbraw/zinc/12/92/93/488129293.db2.gz IJNUBUDHDDYMMR-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000076679571 488129302 /nfs/dbraw/zinc/12/93/02/488129302.db2.gz IJNUBUDHDDYMMR-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP C[C@@H]1[C@H](C)C[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000668242954 487540488 /nfs/dbraw/zinc/54/04/88/487540488.db2.gz OXTZWNYXJOPQRV-UTUOFQBUSA-N 2 2 233.359 2.306 20 0 BEADLP C[C@@H]1[C@H](C)C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000668242954 487540494 /nfs/dbraw/zinc/54/04/94/487540494.db2.gz OXTZWNYXJOPQRV-UTUOFQBUSA-N 2 2 233.359 2.306 20 0 BEADLP CCc1cc(NC2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000220996252 487551086 /nfs/dbraw/zinc/55/10/86/487551086.db2.gz UQASMHLSHSJXFV-UHFFFAOYSA-N 2 2 248.374 2.324 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccccc1C(F)(F)F ZINC000231819046 487477760 /nfs/dbraw/zinc/47/77/60/487477760.db2.gz PUCXECJMRDYNOY-UHFFFAOYSA-N 2 2 246.276 2.486 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccccc1C(F)(F)F ZINC000231819046 487477764 /nfs/dbraw/zinc/47/77/64/487477764.db2.gz PUCXECJMRDYNOY-UHFFFAOYSA-N 2 2 246.276 2.486 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000380607919 487481035 /nfs/dbraw/zinc/48/10/35/487481035.db2.gz JFMXPWBBAOLNJY-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000380607919 487481037 /nfs/dbraw/zinc/48/10/37/487481037.db2.gz JFMXPWBBAOLNJY-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP C[C@@H]1CC[C@H](C[N@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997324 487497276 /nfs/dbraw/zinc/49/72/76/487497276.db2.gz XWTPMPIGDYIRLG-UKRRQHHQSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]1CC[C@H](C[N@@H+](CC[NH3+])Cc2ccccc2)O1 ZINC000231997324 487497282 /nfs/dbraw/zinc/49/72/82/487497282.db2.gz XWTPMPIGDYIRLG-UKRRQHHQSA-N 2 2 248.370 2.015 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000324056094 487506505 /nfs/dbraw/zinc/50/65/05/487506505.db2.gz ZFFAEXHCYFDMHU-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000324056094 487506509 /nfs/dbraw/zinc/50/65/09/487506509.db2.gz ZFFAEXHCYFDMHU-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@@H]1[NH3+] ZINC000662271562 487517051 /nfs/dbraw/zinc/51/70/51/487517051.db2.gz WSECGJPWMXCVJE-MFKMUULPSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@@H]1[NH3+] ZINC000662271562 487517059 /nfs/dbraw/zinc/51/70/59/487517059.db2.gz WSECGJPWMXCVJE-MFKMUULPSA-N 2 2 249.358 2.111 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000382236442 487534664 /nfs/dbraw/zinc/53/46/64/487534664.db2.gz QNKULYZYVGGAAP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000382236442 487534667 /nfs/dbraw/zinc/53/46/67/487534667.db2.gz QNKULYZYVGGAAP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086726930 487535425 /nfs/dbraw/zinc/53/54/25/487535425.db2.gz ROSBIJUKRNXACO-BXUZGUMPSA-N 2 2 218.344 2.262 20 0 BEADLP Fc1ccccc1CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000685850327 488133306 /nfs/dbraw/zinc/13/33/06/488133306.db2.gz NZWZBJRFOGDQOB-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Fc1ccccc1CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000685850327 488133312 /nfs/dbraw/zinc/13/33/12/488133312.db2.gz NZWZBJRFOGDQOB-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccccn2)n1C ZINC000667948673 488165955 /nfs/dbraw/zinc/16/59/55/488165955.db2.gz IYFGGTSWHGIBQV-NSHDSACASA-N 2 2 244.342 2.317 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccccn2)n1C ZINC000667948673 488165960 /nfs/dbraw/zinc/16/59/60/488165960.db2.gz IYFGGTSWHGIBQV-NSHDSACASA-N 2 2 244.342 2.317 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccoc1 ZINC000677981474 488169011 /nfs/dbraw/zinc/16/90/11/488169011.db2.gz DCVCZIJLDRSHGC-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccoc1 ZINC000677981474 488169013 /nfs/dbraw/zinc/16/90/13/488169013.db2.gz DCVCZIJLDRSHGC-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Cc1cc(C(F)(F)F)cc(NCC[NH+](C)C)[nH+]1 ZINC000060023748 488170680 /nfs/dbraw/zinc/17/06/80/488170680.db2.gz IZVUBURENGDGBD-UHFFFAOYSA-N 2 2 247.264 2.382 20 0 BEADLP C[C@@H]1CCCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668001520 488180689 /nfs/dbraw/zinc/18/06/89/488180689.db2.gz SGOAVZMMNOXZFG-GFCCVEGCSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@@H]1CCCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668001520 488180695 /nfs/dbraw/zinc/18/06/95/488180695.db2.gz SGOAVZMMNOXZFG-GFCCVEGCSA-N 2 2 233.359 2.451 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)nc(C)[nH+]1 ZINC000664137859 488184199 /nfs/dbraw/zinc/18/41/99/488184199.db2.gz ACKRPBDNGZHHON-GFCCVEGCSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc(C)[nH+]1 ZINC000664137859 488184203 /nfs/dbraw/zinc/18/42/03/488184203.db2.gz ACKRPBDNGZHHON-GFCCVEGCSA-N 2 2 248.374 2.378 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H]3CCC[C@@H]31)CCC2 ZINC000668013285 488185882 /nfs/dbraw/zinc/18/58/82/488185882.db2.gz UMIJCZRSOWWCAV-YPMHNXCESA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H]3CCC[C@@H]31)CCC2 ZINC000668013285 488185884 /nfs/dbraw/zinc/18/58/84/488185884.db2.gz UMIJCZRSOWWCAV-YPMHNXCESA-N 2 2 231.343 2.204 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655688170 488189333 /nfs/dbraw/zinc/18/93/33/488189333.db2.gz OJSCMVCOVRXTHW-IJLUTSLNSA-N 2 2 239.388 2.145 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154903 488210923 /nfs/dbraw/zinc/21/09/23/488210923.db2.gz ZPPSHZLZIARYBN-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000308630392 488213459 /nfs/dbraw/zinc/21/34/59/488213459.db2.gz FXJJOCPOJKFKAH-SNVBAGLBSA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668172622 488213806 /nfs/dbraw/zinc/21/38/06/488213806.db2.gz QSTABGHDSSTBKN-ZYHUDNBSSA-N 2 2 221.348 2.491 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668172622 488213808 /nfs/dbraw/zinc/21/38/08/488213808.db2.gz QSTABGHDSSTBKN-ZYHUDNBSSA-N 2 2 221.348 2.491 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)n1C ZINC000668178541 488214515 /nfs/dbraw/zinc/21/45/15/488214515.db2.gz ZFDCEKRBYICCJC-AWEZNQCLSA-N 2 2 245.370 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)n1C ZINC000668178541 488214518 /nfs/dbraw/zinc/21/45/18/488214518.db2.gz ZFDCEKRBYICCJC-AWEZNQCLSA-N 2 2 245.370 2.493 20 0 BEADLP c1[nH+]c2n(c1C[NH+]1CCC(C3CC3)CC1)CCC2 ZINC000668186207 488216702 /nfs/dbraw/zinc/21/67/02/488216702.db2.gz DUNAZSXBRRGAPX-UHFFFAOYSA-N 2 2 245.370 2.451 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000678235258 488223276 /nfs/dbraw/zinc/22/32/76/488223276.db2.gz GXEYEQOZFHMZLY-ZDUSSCGKSA-N 2 2 219.332 2.463 20 0 BEADLP c1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000678235258 488223280 /nfs/dbraw/zinc/22/32/80/488223280.db2.gz GXEYEQOZFHMZLY-ZDUSSCGKSA-N 2 2 219.332 2.463 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678413756 488252715 /nfs/dbraw/zinc/25/27/15/488252715.db2.gz LZQVAYVHAIYBLH-ZIAGYGMSSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000678413756 488252717 /nfs/dbraw/zinc/25/27/17/488252717.db2.gz LZQVAYVHAIYBLH-ZIAGYGMSSA-N 2 2 247.386 2.443 20 0 BEADLP FC1(F)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000684626264 488335145 /nfs/dbraw/zinc/33/51/45/488335145.db2.gz UEPNRPKNBKTMLR-UHFFFAOYSA-N 2 2 229.274 2.004 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679074697 488306186 /nfs/dbraw/zinc/30/61/86/488306186.db2.gz UVSWRKGRRUSCOR-CKYFFXLPSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679074697 488306189 /nfs/dbraw/zinc/30/61/89/488306189.db2.gz UVSWRKGRRUSCOR-CKYFFXLPSA-N 2 2 244.329 2.247 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038086938 490147995 /nfs/dbraw/zinc/14/79/95/490147995.db2.gz OKAISHODQJEHHU-UHFFFAOYSA-N 2 2 218.344 2.044 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038086938 490148005 /nfs/dbraw/zinc/14/80/05/490148005.db2.gz OKAISHODQJEHHU-UHFFFAOYSA-N 2 2 218.344 2.044 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648450445 490155378 /nfs/dbraw/zinc/15/53/78/490155378.db2.gz MDEXZUFGKFFQOJ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648450445 490155383 /nfs/dbraw/zinc/15/53/83/490155383.db2.gz MDEXZUFGKFFQOJ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000578617389 490224289 /nfs/dbraw/zinc/22/42/89/490224289.db2.gz KXHZHTYZHWRYCS-IAQYHMDHSA-N 2 2 248.370 2.091 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CCC23CCC3)c[nH+]1 ZINC000336697363 490269193 /nfs/dbraw/zinc/26/91/93/490269193.db2.gz ZARMSXNMIXJXBC-GFCCVEGCSA-N 2 2 219.332 2.196 20 0 BEADLP CO[C@H](C[N@H+](C)C1(C[NH3+])CCC1)c1ccccc1 ZINC000395508277 490339149 /nfs/dbraw/zinc/33/91/49/490339149.db2.gz OHOJYQNGYKLWCR-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP CO[C@H](C[N@@H+](C)C1(C[NH3+])CCC1)c1ccccc1 ZINC000395508277 490339153 /nfs/dbraw/zinc/33/91/53/490339153.db2.gz OHOJYQNGYKLWCR-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397825368 490540050 /nfs/dbraw/zinc/54/00/50/490540050.db2.gz AWRPKRKGFVNXTL-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000300993179 490574355 /nfs/dbraw/zinc/57/43/55/490574355.db2.gz VXEKHUROXWBEMH-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000300993179 490574357 /nfs/dbraw/zinc/57/43/57/490574357.db2.gz VXEKHUROXWBEMH-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655704633 491062554 /nfs/dbraw/zinc/06/25/54/491062554.db2.gz HCSAFVONMXWPEM-VXGBXAGGSA-N 2 2 230.421 2.200 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655704633 491062556 /nfs/dbraw/zinc/06/25/56/491062556.db2.gz HCSAFVONMXWPEM-VXGBXAGGSA-N 2 2 230.421 2.200 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651695342 491073942 /nfs/dbraw/zinc/07/39/42/491073942.db2.gz GDJSBEMPFZMRTC-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651695342 491073944 /nfs/dbraw/zinc/07/39/44/491073944.db2.gz GDJSBEMPFZMRTC-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088525127 491104628 /nfs/dbraw/zinc/10/46/28/491104628.db2.gz BDOJDVSDWSUZSG-NEPJUHHUSA-N 2 2 237.347 2.014 20 0 BEADLP COCC[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088525127 491104630 /nfs/dbraw/zinc/10/46/30/491104630.db2.gz BDOJDVSDWSUZSG-NEPJUHHUSA-N 2 2 237.347 2.014 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]CCC[NH+](C)C)n1 ZINC000122635427 491114719 /nfs/dbraw/zinc/11/47/19/491114719.db2.gz DWLLCUOMUIVHDL-SNVBAGLBSA-N 2 2 227.377 2.054 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]CCC[NH+](C)C)s1 ZINC000090399215 491124887 /nfs/dbraw/zinc/12/48/87/491124887.db2.gz ZHAXMUFIHRXBLQ-SECBINFHSA-N 2 2 227.377 2.054 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000560943302 491130832 /nfs/dbraw/zinc/13/08/32/491130832.db2.gz PLLCQZGVSRXNBX-LBPRGKRZSA-N 2 2 224.373 2.207 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000132178183 491134637 /nfs/dbraw/zinc/13/46/37/491134637.db2.gz PIFKAOWPQAVEJR-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000132384141 491135741 /nfs/dbraw/zinc/13/57/41/491135741.db2.gz GQHWKHLUXFJQDR-NEPJUHHUSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309085067 533735396 /nfs/dbraw/zinc/73/53/96/533735396.db2.gz WGWHEOLDKVOOJT-DRZSPHRISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400653100 533927138 /nfs/dbraw/zinc/92/71/38/533927138.db2.gz QFRQHZMQJFHYGW-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000300359654 534256672 /nfs/dbraw/zinc/25/66/72/534256672.db2.gz MZSQXECDNBZURN-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000300359654 534256679 /nfs/dbraw/zinc/25/66/79/534256679.db2.gz MZSQXECDNBZURN-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccc(CC[N@@H+]2CCC[C@H]([NH2+]C)C2)cc1 ZINC000261851218 536168682 /nfs/dbraw/zinc/16/86/82/536168682.db2.gz XZHBCSQZDGPMTC-INIZCTEOSA-N 2 2 246.398 2.475 20 0 BEADLP CCc1ccc(CC[N@H+]2CCC[C@H]([NH2+]C)C2)cc1 ZINC000261851218 536168685 /nfs/dbraw/zinc/16/86/85/536168685.db2.gz XZHBCSQZDGPMTC-INIZCTEOSA-N 2 2 246.398 2.475 20 0 BEADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975292 536473318 /nfs/dbraw/zinc/47/33/18/536473318.db2.gz GDIJQVDWRDKPDC-QWHCGFSZSA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975292 536473321 /nfs/dbraw/zinc/47/33/21/536473321.db2.gz GDIJQVDWRDKPDC-QWHCGFSZSA-N 2 2 231.343 2.002 20 0 BEADLP [NH3+]C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000089064372 527144122 /nfs/dbraw/zinc/14/41/22/527144122.db2.gz WYWINGKPRVHSOK-UHFFFAOYSA-N 2 2 245.248 2.028 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000488437621 527629191 /nfs/dbraw/zinc/62/91/91/527629191.db2.gz ZOLLFWWBCJADAU-CLTVBZQCSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000488437621 527629196 /nfs/dbraw/zinc/62/91/96/527629196.db2.gz ZOLLFWWBCJADAU-CLTVBZQCSA-N 2 2 236.403 2.493 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000486958228 529056158 /nfs/dbraw/zinc/05/61/58/529056158.db2.gz QVSSECLOEZNCHL-UYWPIULCSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000486958228 529056168 /nfs/dbraw/zinc/05/61/68/529056168.db2.gz QVSSECLOEZNCHL-UYWPIULCSA-N 2 2 245.370 2.169 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261556960 534985207 /nfs/dbraw/zinc/98/52/07/534985207.db2.gz CITSVWKBOLENLG-DOMZBBRYSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261556960 534985210 /nfs/dbraw/zinc/98/52/10/534985210.db2.gz CITSVWKBOLENLG-DOMZBBRYSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)[N@H+](C)CCNc1[nH+]c2ccccc2n1C ZINC000079046937 535011192 /nfs/dbraw/zinc/01/11/92/535011192.db2.gz FZOPLUIPDOHRNB-UHFFFAOYSA-N 2 2 246.358 2.325 20 0 BEADLP CC(C)[N@@H+](C)CCNc1[nH+]c2ccccc2n1C ZINC000079046937 535011204 /nfs/dbraw/zinc/01/12/04/535011204.db2.gz FZOPLUIPDOHRNB-UHFFFAOYSA-N 2 2 246.358 2.325 20 0 BEADLP CC(C)Oc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000261548230 535036720 /nfs/dbraw/zinc/03/67/20/535036720.db2.gz JDJXYRNZAIVATI-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000261548230 535036726 /nfs/dbraw/zinc/03/67/26/535036726.db2.gz JDJXYRNZAIVATI-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C)CC1 ZINC000082491039 535280127 /nfs/dbraw/zinc/28/01/27/535280127.db2.gz AULLSDBXLWOAOU-QWHCGFSZSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C)CC1 ZINC000082491039 535280128 /nfs/dbraw/zinc/28/01/28/535280128.db2.gz AULLSDBXLWOAOU-QWHCGFSZSA-N 2 2 212.381 2.482 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000087771503 535328511 /nfs/dbraw/zinc/32/85/11/535328511.db2.gz MOSUSQVONNSUIA-RYUDHWBXSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000087771503 535328515 /nfs/dbraw/zinc/32/85/15/535328515.db2.gz MOSUSQVONNSUIA-RYUDHWBXSA-N 2 2 222.376 2.391 20 0 BEADLP CCCc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261929032 535432940 /nfs/dbraw/zinc/43/29/40/535432940.db2.gz CNAJIYZRLUDGRL-WFASDCNBSA-N 2 2 232.371 2.418 20 0 BEADLP CCCc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261929032 535432944 /nfs/dbraw/zinc/43/29/44/535432944.db2.gz CNAJIYZRLUDGRL-WFASDCNBSA-N 2 2 232.371 2.418 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000262117188 535808445 /nfs/dbraw/zinc/80/84/45/535808445.db2.gz MZVMICPGNMMGHC-CHWSQXEVSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000086727255 535809085 /nfs/dbraw/zinc/80/90/85/535809085.db2.gz HOHSUJUNAXSJJZ-UONOGXRCSA-N 2 2 218.344 2.398 20 0 BEADLP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](C)[NH3+] ZINC000261581250 535965402 /nfs/dbraw/zinc/96/54/02/535965402.db2.gz NLLXJYOJVYUDNF-GXSJLCMTSA-N 2 2 224.373 2.405 20 0 BEADLP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](C)[NH3+] ZINC000261581250 535965408 /nfs/dbraw/zinc/96/54/08/535965408.db2.gz NLLXJYOJVYUDNF-GXSJLCMTSA-N 2 2 224.373 2.405 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000262002261 536156640 /nfs/dbraw/zinc/15/66/40/536156640.db2.gz UFJUKGZMOAITDX-AWEZNQCLSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000262002261 536156641 /nfs/dbraw/zinc/15/66/41/536156641.db2.gz UFJUKGZMOAITDX-AWEZNQCLSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1ccc(CC[N@@H+]2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000261851220 536168766 /nfs/dbraw/zinc/16/87/66/536168766.db2.gz XZHBCSQZDGPMTC-MRXNPFEDSA-N 2 2 246.398 2.475 20 0 BEADLP CCc1ccc(CC[N@H+]2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000261851220 536168768 /nfs/dbraw/zinc/16/87/68/536168768.db2.gz XZHBCSQZDGPMTC-MRXNPFEDSA-N 2 2 246.398 2.475 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152311 536389743 /nfs/dbraw/zinc/38/97/43/536389743.db2.gz CGJOCRSQKPRJAJ-JSGCOSHPSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152311 536389744 /nfs/dbraw/zinc/38/97/44/536389744.db2.gz CGJOCRSQKPRJAJ-JSGCOSHPSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152311 536389747 /nfs/dbraw/zinc/38/97/47/536389747.db2.gz CGJOCRSQKPRJAJ-JSGCOSHPSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000348152311 536389748 /nfs/dbraw/zinc/38/97/48/536389748.db2.gz CGJOCRSQKPRJAJ-JSGCOSHPSA-N 2 2 248.374 2.031 20 0 BEADLP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000892721650 582968973 /nfs/dbraw/zinc/96/89/73/582968973.db2.gz NABQEMXVDYPJRG-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000892721650 582968975 /nfs/dbraw/zinc/96/89/75/582968975.db2.gz NABQEMXVDYPJRG-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CSC(C)(C)CC[N@@H+]1CC[NH+]2CCC1CC2 ZINC000877527776 583322431 /nfs/dbraw/zinc/32/24/31/583322431.db2.gz VNVRXPMBPOGQND-UHFFFAOYSA-N 2 2 242.432 2.298 20 0 BEADLP CSC(C)(C)CC[N@H+]1CC[NH+]2CCC1CC2 ZINC000877527776 583322432 /nfs/dbraw/zinc/32/24/32/583322432.db2.gz VNVRXPMBPOGQND-UHFFFAOYSA-N 2 2 242.432 2.298 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000853249532 588728947 /nfs/dbraw/zinc/72/89/47/588728947.db2.gz QWXBHWGTHNXSSI-RISCZKNCSA-N 2 2 246.354 2.024 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCCC1 ZINC000111392783 588747387 /nfs/dbraw/zinc/74/73/87/588747387.db2.gz GWNZBCNMRHRCIH-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCCC1 ZINC000111392783 588747388 /nfs/dbraw/zinc/74/73/88/588747388.db2.gz GWNZBCNMRHRCIH-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCCC1 ZINC000111392781 588747427 /nfs/dbraw/zinc/74/74/27/588747427.db2.gz GWNZBCNMRHRCIH-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCCC1 ZINC000111392781 588747428 /nfs/dbraw/zinc/74/74/28/588747428.db2.gz GWNZBCNMRHRCIH-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP CC(C)c1nc(NCC[C@H](C)[NH+](C)C)cc[nH+]1 ZINC000853798160 588763825 /nfs/dbraw/zinc/76/38/25/588763825.db2.gz CSGVGUHQCYSGJX-NSHDSACASA-N 2 2 236.363 2.352 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587770 /nfs/dbraw/zinc/58/77/70/582587770.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 2 244.329 2.202 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587773 /nfs/dbraw/zinc/58/77/73/582587773.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 2 244.329 2.202 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587775 /nfs/dbraw/zinc/58/77/75/582587775.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 2 244.329 2.202 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445044 582587778 /nfs/dbraw/zinc/58/77/78/582587778.db2.gz XABPULMFXWRLOI-VXGBXAGGSA-N 2 2 244.329 2.202 20 0 BEADLP CCc1cc(NC[C@@H]2CCC[N@@H+]2C)nc(CC)[nH+]1 ZINC000892007077 582760460 /nfs/dbraw/zinc/76/04/60/582760460.db2.gz DIEMVUMHZMNFRL-LBPRGKRZSA-N 2 2 248.374 2.108 20 0 BEADLP CCc1cc(NC[C@@H]2CCC[N@H+]2C)nc(CC)[nH+]1 ZINC000892007077 582760461 /nfs/dbraw/zinc/76/04/61/582760461.db2.gz DIEMVUMHZMNFRL-LBPRGKRZSA-N 2 2 248.374 2.108 20 0 BEADLP C[C@@H](C1CC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000782181595 582870435 /nfs/dbraw/zinc/87/04/35/582870435.db2.gz AMIBLIQFNIBLMF-JTQLQIEISA-N 2 2 219.332 2.388 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@@H]2C=CCC2)[nH+]1 ZINC000850358252 582913804 /nfs/dbraw/zinc/91/38/04/582913804.db2.gz ABXVDXUTBOAOIR-LLVKDONJSA-N 2 2 213.284 2.143 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000892567644 582915361 /nfs/dbraw/zinc/91/53/61/582915361.db2.gz UGVNYJFKPDGSJW-NSHDSACASA-N 2 2 249.314 2.053 20 0 BEADLP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000892659744 582943337 /nfs/dbraw/zinc/94/33/37/582943337.db2.gz VRYIHUNLNKQMBC-UHFFFAOYSA-N 2 2 249.314 2.055 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000854231854 583083669 /nfs/dbraw/zinc/08/36/69/583083669.db2.gz JONOCIQFHFCSHP-RISCZKNCSA-N 2 2 218.344 2.180 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000893320837 583100274 /nfs/dbraw/zinc/10/02/74/583100274.db2.gz SGCIDPNAIRHNEA-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CC[C@H]1C[NH+](CCC[NH2+]C2CC2)C[C@H](CC)O1 ZINC000398868717 583167483 /nfs/dbraw/zinc/16/74/83/583167483.db2.gz VLIVZGKQTPXJIO-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1coc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000893952118 583260048 /nfs/dbraw/zinc/26/00/48/583260048.db2.gz BGSMVZDROMKWIX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1coc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000893952118 583260049 /nfs/dbraw/zinc/26/00/49/583260049.db2.gz BGSMVZDROMKWIX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1coc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000893952118 583260052 /nfs/dbraw/zinc/26/00/52/583260052.db2.gz BGSMVZDROMKWIX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1coc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000893952118 583260053 /nfs/dbraw/zinc/26/00/53/583260053.db2.gz BGSMVZDROMKWIX-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000893994429 583267673 /nfs/dbraw/zinc/26/76/73/583267673.db2.gz LUFPAIXEOVZFAL-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ncoc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000893994429 583267675 /nfs/dbraw/zinc/26/76/75/583267675.db2.gz LUFPAIXEOVZFAL-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ncoc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000894026009 583280759 /nfs/dbraw/zinc/28/07/59/583280759.db2.gz CPVBDLAEWCLIBP-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncoc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000894026009 583280762 /nfs/dbraw/zinc/28/07/62/583280762.db2.gz CPVBDLAEWCLIBP-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP c1[nH]c(C[NH2+]CCCNc2ccccc2)c[nH+]1 ZINC000894139473 583315788 /nfs/dbraw/zinc/31/57/88/583315788.db2.gz VHKUEVWYVGKUPQ-UHFFFAOYSA-N 2 2 230.315 2.002 20 0 BEADLP Cc1cc(C)cc(OCC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894200760 583338001 /nfs/dbraw/zinc/33/80/01/583338001.db2.gz RCWZTQZALSIOMW-UHFFFAOYSA-N 2 2 245.326 2.195 20 0 BEADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000894475271 583469751 /nfs/dbraw/zinc/46/97/51/583469751.db2.gz ANKZDIDHQSMKJD-UHFFFAOYSA-N 2 2 249.314 2.007 20 0 BEADLP C[C@H]1CC(CC[NH2+]Cc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000894685042 583507059 /nfs/dbraw/zinc/50/70/59/583507059.db2.gz UPHSYZVMXKJWOC-QWRGUYRKSA-N 2 2 237.347 2.093 20 0 BEADLP Cc1ccoc1C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894844841 583530515 /nfs/dbraw/zinc/53/05/15/583530515.db2.gz XJNWLNTYOWUYBP-UHFFFAOYSA-N 2 2 231.299 2.163 20 0 BEADLP Cc1nc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc[nH+]1 ZINC000857760918 588909784 /nfs/dbraw/zinc/90/97/84/588909784.db2.gz WYLMWZDSACQBJG-VXGBXAGGSA-N 2 2 246.358 2.070 20 0 BEADLP Cc1nc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc[nH+]1 ZINC000857760915 588909843 /nfs/dbraw/zinc/90/98/43/588909843.db2.gz WYLMWZDSACQBJG-NEPJUHHUSA-N 2 2 246.358 2.070 20 0 BEADLP Cc1ccc(F)c(CC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894909367 583554889 /nfs/dbraw/zinc/55/48/89/583554889.db2.gz OGMAHIDKCFWMEF-UHFFFAOYSA-N 2 2 233.290 2.190 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000894955865 583559462 /nfs/dbraw/zinc/55/94/62/583559462.db2.gz JPODXKUKPSFOTE-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP Cc1cc(NCc2c[nH+]c[nH]2)ccc1C[NH+](C)C ZINC000894986191 583564828 /nfs/dbraw/zinc/56/48/28/583564828.db2.gz VPUZEHFZXOQIRB-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cc1cc(NCc2c[nH]c[nH+]2)ccc1C[NH+](C)C ZINC000894986191 583564830 /nfs/dbraw/zinc/56/48/30/583564830.db2.gz VPUZEHFZXOQIRB-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000895273828 583635156 /nfs/dbraw/zinc/63/51/56/583635156.db2.gz JSYZQZYCITVDDA-LLVKDONJSA-N 2 2 241.285 2.107 20 0 BEADLP CSc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)o1 ZINC000895291580 583637007 /nfs/dbraw/zinc/63/70/07/583637007.db2.gz GGBRGROHBHVXFY-JTQLQIEISA-N 2 2 242.388 2.431 20 0 BEADLP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)[NH+](C)C ZINC000895293446 583639816 /nfs/dbraw/zinc/63/98/16/583639816.db2.gz LULSBOPGYITODR-LLVKDONJSA-N 2 2 247.342 2.258 20 0 BEADLP c1cn(C2CC2)c(Cn2c[nH+]c3c2CCCC3)[nH+]1 ZINC000895542828 583688302 /nfs/dbraw/zinc/68/83/02/583688302.db2.gz QBXZVGLQUPGKGQ-UHFFFAOYSA-N 2 2 242.326 2.342 20 0 BEADLP CCc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(CC)[nH+]1 ZINC000895734393 583717015 /nfs/dbraw/zinc/71/70/15/583717015.db2.gz LSONOUXOLLJVJJ-JQWIXIFHSA-N 2 2 248.374 2.106 20 0 BEADLP CCc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(CC)[nH+]1 ZINC000895734395 583717240 /nfs/dbraw/zinc/71/72/40/583717240.db2.gz LSONOUXOLLJVJJ-PWSUYJOCSA-N 2 2 248.374 2.106 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000896558632 583813045 /nfs/dbraw/zinc/81/30/45/583813045.db2.gz PGJPIEQZJSNZCZ-SLBVQIDZSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000896558632 583813047 /nfs/dbraw/zinc/81/30/47/583813047.db2.gz PGJPIEQZJSNZCZ-SLBVQIDZSA-N 2 2 244.382 2.472 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1scnc1Cl ZINC000872141277 583948078 /nfs/dbraw/zinc/94/80/78/583948078.db2.gz BFNXVPLPWLHUJV-JTQLQIEISA-N 2 2 247.795 2.260 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000863652588 583994707 /nfs/dbraw/zinc/99/47/07/583994707.db2.gz UWTXQZCPHRAGCZ-HMDXOVGESA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000863652588 583994709 /nfs/dbraw/zinc/99/47/09/583994709.db2.gz UWTXQZCPHRAGCZ-HMDXOVGESA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000863652590 583994829 /nfs/dbraw/zinc/99/48/29/583994829.db2.gz UWTXQZCPHRAGCZ-UMBAGQNISA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000863652590 583994831 /nfs/dbraw/zinc/99/48/31/583994831.db2.gz UWTXQZCPHRAGCZ-UMBAGQNISA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccon1 ZINC000148630084 584019617 /nfs/dbraw/zinc/01/96/17/584019617.db2.gz WQEYXUMVQYMYFB-NEPJUHHUSA-N 2 2 237.347 2.075 20 0 BEADLP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000729682620 584022877 /nfs/dbraw/zinc/02/28/77/584022877.db2.gz WXRQKQWABFHTNH-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000729682620 584022878 /nfs/dbraw/zinc/02/28/78/584022878.db2.gz WXRQKQWABFHTNH-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000865734237 584027476 /nfs/dbraw/zinc/02/74/76/584027476.db2.gz ORWMKABWEMLCMV-HNCHTBHHSA-N 2 2 240.416 2.095 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000865734237 584027477 /nfs/dbraw/zinc/02/74/77/584027477.db2.gz ORWMKABWEMLCMV-HNCHTBHHSA-N 2 2 240.416 2.095 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)n1C ZINC000897960214 584068279 /nfs/dbraw/zinc/06/82/79/584068279.db2.gz ZSSNUZSNEFMHPX-WCFLWFBJSA-N 2 2 219.332 2.007 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017079 584075313 /nfs/dbraw/zinc/07/53/13/584075313.db2.gz IOQDCUNRXYWTDX-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017079 584075314 /nfs/dbraw/zinc/07/53/14/584075314.db2.gz IOQDCUNRXYWTDX-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017081 584075384 /nfs/dbraw/zinc/07/53/84/584075384.db2.gz IOQDCUNRXYWTDX-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017081 584075386 /nfs/dbraw/zinc/07/53/86/584075386.db2.gz IOQDCUNRXYWTDX-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000898033813 584078077 /nfs/dbraw/zinc/07/80/77/584078077.db2.gz DAHIMERWAJJDSD-MNOVXSKESA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000898033813 584078079 /nfs/dbraw/zinc/07/80/79/584078079.db2.gz DAHIMERWAJJDSD-MNOVXSKESA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000898033814 584078318 /nfs/dbraw/zinc/07/83/18/584078318.db2.gz DAHIMERWAJJDSD-QWRGUYRKSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)[C@@H]1CC1(F)F ZINC000898033814 584078320 /nfs/dbraw/zinc/07/83/20/584078320.db2.gz DAHIMERWAJJDSD-QWRGUYRKSA-N 2 2 246.345 2.352 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898034689 584078777 /nfs/dbraw/zinc/07/87/77/584078777.db2.gz VSFPUWBAPAKBFH-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000898034689 584078779 /nfs/dbraw/zinc/07/87/79/584078779.db2.gz VSFPUWBAPAKBFH-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034799 584079457 /nfs/dbraw/zinc/07/94/57/584079457.db2.gz XEPROLONLJMSJM-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034799 584079459 /nfs/dbraw/zinc/07/94/59/584079459.db2.gz XEPROLONLJMSJM-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@H](O)C2CC2)c[nH+]1 ZINC000898204499 584091228 /nfs/dbraw/zinc/09/12/28/584091228.db2.gz VLCDPOPLNCUHPQ-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1ncoc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898306543 584109573 /nfs/dbraw/zinc/10/95/73/584109573.db2.gz LLGKAGQXQLGBHU-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP Cc1ncoc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898306543 584109574 /nfs/dbraw/zinc/10/95/74/584109574.db2.gz LLGKAGQXQLGBHU-UHFFFAOYSA-N 2 2 239.363 2.003 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CSC[C@@H]1C ZINC000898314375 584110747 /nfs/dbraw/zinc/11/07/47/584110747.db2.gz VCTTVTUUBPDLPU-AVGNSLFASA-N 2 2 244.448 2.304 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1C ZINC000898315901 584111226 /nfs/dbraw/zinc/11/12/26/584111226.db2.gz BSBDLEFAMGIKTJ-UPJWGTAASA-N 2 2 212.381 2.208 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858532051 588963317 /nfs/dbraw/zinc/96/33/17/588963317.db2.gz KKNAYNZMCLSOAT-BNOWGMLFSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000858532051 588963319 /nfs/dbraw/zinc/96/33/19/588963319.db2.gz KKNAYNZMCLSOAT-BNOWGMLFSA-N 2 2 222.376 2.391 20 0 BEADLP CCCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858549388 588964867 /nfs/dbraw/zinc/96/48/67/588964867.db2.gz VUOOLAWDNIPBTR-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858549388 588964868 /nfs/dbraw/zinc/96/48/68/588964868.db2.gz VUOOLAWDNIPBTR-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCNc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000899327528 584197996 /nfs/dbraw/zinc/19/79/96/584197996.db2.gz DJZNARZRBGOILT-OLZOCXBDSA-N 2 2 229.327 2.421 20 0 BEADLP CCCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858600390 588970057 /nfs/dbraw/zinc/97/00/57/588970057.db2.gz VUOOLAWDNIPBTR-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858600390 588970059 /nfs/dbraw/zinc/97/00/59/588970059.db2.gz VUOOLAWDNIPBTR-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CC1(C)Cc2occc2[C@@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902418601 584592079 /nfs/dbraw/zinc/59/20/79/584592079.db2.gz XKZKQBYWNDTWCS-NSHDSACASA-N 2 2 234.343 2.374 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000902433362 584596191 /nfs/dbraw/zinc/59/61/91/584596191.db2.gz JNEIRUIRVFULLL-DTZQCDIJSA-N 2 2 242.366 2.389 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440304 584597098 /nfs/dbraw/zinc/59/70/98/584597098.db2.gz YTUOMEOWOJZRNY-BSLXNSKLSA-N 2 2 230.355 2.389 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000902443201 584598114 /nfs/dbraw/zinc/59/81/14/584598114.db2.gz DODQCZIGYAOOBC-SMDDNHRTSA-N 2 2 248.370 2.344 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000902444290 584598424 /nfs/dbraw/zinc/59/84/24/584598424.db2.gz NBDBVBSCHQMPLS-AAEUAGOBSA-N 2 2 234.343 2.245 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902474836 584602655 /nfs/dbraw/zinc/60/26/55/584602655.db2.gz FWMLBEADBUAEHN-WAZAZEMKSA-N 2 2 246.354 2.239 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(F)c1 ZINC000902447044 584604179 /nfs/dbraw/zinc/60/41/79/584604179.db2.gz QTULZZKRYMAHOS-GXFFZTMASA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(F)c1 ZINC000902447045 584604361 /nfs/dbraw/zinc/60/43/61/584604361.db2.gz QTULZZKRYMAHOS-MFKMUULPSA-N 2 2 236.334 2.474 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000902448361 584605397 /nfs/dbraw/zinc/60/53/97/584605397.db2.gz ZTLIFUVFRXQYDV-KGLIPLIRSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902464688 584613266 /nfs/dbraw/zinc/61/32/66/584613266.db2.gz BHGAXDNSLYWGSY-OLRMPSLUSA-N 2 2 234.318 2.369 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469299 584615455 /nfs/dbraw/zinc/61/54/55/584615455.db2.gz WFVMVDQTUJHYJE-ARLBYUKCSA-N 2 2 242.366 2.465 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccs1 ZINC000902469673 584615763 /nfs/dbraw/zinc/61/57/63/584615763.db2.gz ZYDKNQUERCMRLY-UKKRHICBSA-N 2 2 222.357 2.292 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902469270 584615772 /nfs/dbraw/zinc/61/57/72/584615772.db2.gz VKMDYFUISRLXML-OBCWZRDOSA-N 2 2 246.354 2.239 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902482455 584623890 /nfs/dbraw/zinc/62/38/90/584623890.db2.gz LFXNFHLJSWABSI-TZMCWYRMSA-N 2 2 233.359 2.264 20 0 BEADLP [NH3+][C@@H]1C[C@H]([NH2+]C/C=C\Cl)c2ccccc21 ZINC000902522875 584632351 /nfs/dbraw/zinc/63/23/51/584632351.db2.gz ZBJDLMKBXXWILV-FVLQNALFSA-N 2 2 222.719 2.473 20 0 BEADLP CCNc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000902654062 584651440 /nfs/dbraw/zinc/65/14/40/584651440.db2.gz YPXNOPUSOJZUGG-GXTWGEPZSA-N 2 2 247.386 2.301 20 0 BEADLP CCNc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000902654062 584651441 /nfs/dbraw/zinc/65/14/41/584651441.db2.gz YPXNOPUSOJZUGG-GXTWGEPZSA-N 2 2 247.386 2.301 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1C[C@H]3CCC[C@@H]3C1)C2 ZINC000902993502 584711537 /nfs/dbraw/zinc/71/15/37/584711537.db2.gz UHGRZSDBBZPQGW-IJLUTSLNSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1C[C@H]3CCC[C@@H]3C1)CC2 ZINC000902993502 584711538 /nfs/dbraw/zinc/71/15/38/584711538.db2.gz UHGRZSDBBZPQGW-IJLUTSLNSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]3C1)C2 ZINC000902993505 584711928 /nfs/dbraw/zinc/71/19/28/584711928.db2.gz UHGRZSDBBZPQGW-YVECIDJPSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]3C1)CC2 ZINC000902993505 584711930 /nfs/dbraw/zinc/71/19/30/584711930.db2.gz UHGRZSDBBZPQGW-YVECIDJPSA-N 2 2 245.370 2.435 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1OC)[NH+]1CCCC1 ZINC000903067023 584723238 /nfs/dbraw/zinc/72/32/38/584723238.db2.gz QQAGKQTVYJLPDY-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903302294 584745079 /nfs/dbraw/zinc/74/50/79/584745079.db2.gz YQKBOCKAMAHYLZ-SDDRHHMPSA-N 2 2 212.381 2.493 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)CCC1 ZINC000903300906 584744625 /nfs/dbraw/zinc/74/46/25/584744625.db2.gz MZADQLLNTQLCSH-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)CCC1 ZINC000903300906 584744627 /nfs/dbraw/zinc/74/46/27/584744627.db2.gz MZADQLLNTQLCSH-RWMBFGLXSA-N 2 2 240.391 2.016 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC000903300907 584744689 /nfs/dbraw/zinc/74/46/89/584744689.db2.gz MZADQLLNTQLCSH-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC000903300907 584744690 /nfs/dbraw/zinc/74/46/90/584744690.db2.gz MZADQLLNTQLCSH-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903302294 584745078 /nfs/dbraw/zinc/74/50/78/584745078.db2.gz YQKBOCKAMAHYLZ-SDDRHHMPSA-N 2 2 212.381 2.493 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000903302139 584744815 /nfs/dbraw/zinc/74/48/15/584744815.db2.gz WTJDNLQCFGQKML-SGMGOOAPSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000903302139 584744816 /nfs/dbraw/zinc/74/48/16/584744816.db2.gz WTJDNLQCFGQKML-SGMGOOAPSA-N 2 2 233.359 2.133 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301209 584744954 /nfs/dbraw/zinc/74/49/54/584744954.db2.gz OMUGCQLXADTXKZ-OPRDCNLKSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301209 584744955 /nfs/dbraw/zinc/74/49/55/584744955.db2.gz OMUGCQLXADTXKZ-OPRDCNLKSA-N 2 2 238.297 2.400 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@@H+]1C ZINC000903301263 584745034 /nfs/dbraw/zinc/74/50/34/584745034.db2.gz PDGQLJPXBRGDAM-YYJSSNLHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@H+]1C ZINC000903301263 584745035 /nfs/dbraw/zinc/74/50/35/584745035.db2.gz PDGQLJPXBRGDAM-YYJSSNLHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301730 584745107 /nfs/dbraw/zinc/74/51/07/584745107.db2.gz SZQZHELTIWVDPF-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301730 584745108 /nfs/dbraw/zinc/74/51/08/584745108.db2.gz SZQZHELTIWVDPF-NQBHXWOUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)C1CCSCC1 ZINC000903301109 584745167 /nfs/dbraw/zinc/74/51/67/584745167.db2.gz OBSQHXVZCTYSQG-GVXVVHGQSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)C1CCSCC1 ZINC000903301109 584745168 /nfs/dbraw/zinc/74/51/68/584745168.db2.gz OBSQHXVZCTYSQG-GVXVVHGQSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC000903303050 584745245 /nfs/dbraw/zinc/74/52/45/584745245.db2.gz JIIOXGIMGXEBDY-VCTAVGKDSA-N 2 2 248.345 2.495 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC000903303050 584745246 /nfs/dbraw/zinc/74/52/46/584745246.db2.gz JIIOXGIMGXEBDY-VCTAVGKDSA-N 2 2 248.345 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)c1ccncc1 ZINC000903302321 584745301 /nfs/dbraw/zinc/74/53/01/584745301.db2.gz ZAUGONOBPHBQMY-XBFCOCLRSA-N 2 2 233.359 2.215 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)c1ccncc1 ZINC000903302321 584745302 /nfs/dbraw/zinc/74/53/02/584745302.db2.gz ZAUGONOBPHBQMY-XBFCOCLRSA-N 2 2 233.359 2.215 20 0 BEADLP CCCCC1([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000903312380 584748171 /nfs/dbraw/zinc/74/81/71/584748171.db2.gz VEQFIURGNWTTMD-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CCCCC1([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000903312380 584748172 /nfs/dbraw/zinc/74/81/72/584748172.db2.gz VEQFIURGNWTTMD-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379147 584757254 /nfs/dbraw/zinc/75/72/54/584757254.db2.gz FVEBKSLCIJMOJA-YUELXQCFSA-N 2 2 247.386 2.463 20 0 BEADLP CC[C@H](C)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903382701 584757603 /nfs/dbraw/zinc/75/76/03/584757603.db2.gz HDGGIDTYYJPRMG-GXTWGEPZSA-N 2 2 235.375 2.463 20 0 BEADLP [NH3+][C@@H]1CC[C@H](C[N@H+](CCCO)c2ccccc2)C1 ZINC000903439558 584762696 /nfs/dbraw/zinc/76/26/96/584762696.db2.gz KLJRFNCESUXYKC-UONOGXRCSA-N 2 2 248.370 2.003 20 0 BEADLP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCCO)c2ccccc2)C1 ZINC000903439558 584762698 /nfs/dbraw/zinc/76/26/98/584762698.db2.gz KLJRFNCESUXYKC-UONOGXRCSA-N 2 2 248.370 2.003 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903452187 584772123 /nfs/dbraw/zinc/77/21/23/584772123.db2.gz ICLZUMFQUQQOOD-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903452187 584772126 /nfs/dbraw/zinc/77/21/26/584772126.db2.gz ICLZUMFQUQQOOD-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP C[NH2+]CC[N@H+](C[C@H](OC)C1CCCC1)C(C)C ZINC000903573552 584783794 /nfs/dbraw/zinc/78/37/94/584783794.db2.gz ACYQMMKVCUHZEC-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP C[NH2+]CC[N@@H+](C[C@H](OC)C1CCCC1)C(C)C ZINC000903573552 584783796 /nfs/dbraw/zinc/78/37/96/584783796.db2.gz ACYQMMKVCUHZEC-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903752323 584795352 /nfs/dbraw/zinc/79/53/52/584795352.db2.gz RHEBXMBDTUBZKZ-DZGCQCFKSA-N 2 2 248.345 2.340 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000903752323 584795353 /nfs/dbraw/zinc/79/53/53/584795353.db2.gz RHEBXMBDTUBZKZ-DZGCQCFKSA-N 2 2 248.345 2.340 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000903753322 584796195 /nfs/dbraw/zinc/79/61/95/584796195.db2.gz TXRFXCKSRUSNHU-UXIGCNINSA-N 2 2 247.386 2.175 20 0 BEADLP CCCCOCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903797891 584801137 /nfs/dbraw/zinc/80/11/37/584801137.db2.gz KRBUMDJCBXOJBP-UONOGXRCSA-N 2 2 240.391 2.006 20 0 BEADLP CCCCOCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903797891 584801138 /nfs/dbraw/zinc/80/11/38/584801138.db2.gz KRBUMDJCBXOJBP-UONOGXRCSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCCCCF ZINC000903799517 584801228 /nfs/dbraw/zinc/80/12/28/584801228.db2.gz CRCGPBPXQDLJNF-STQMWFEESA-N 2 2 228.355 2.330 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCCCCF ZINC000903799517 584801230 /nfs/dbraw/zinc/80/12/30/584801230.db2.gz CRCGPBPXQDLJNF-STQMWFEESA-N 2 2 228.355 2.330 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCC1CCC1 ZINC000903799258 584801502 /nfs/dbraw/zinc/80/15/02/584801502.db2.gz CQBLSMUAODCCBR-KGLIPLIRSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCC1CCC1 ZINC000903799258 584801503 /nfs/dbraw/zinc/80/15/03/584801503.db2.gz CQBLSMUAODCCBR-KGLIPLIRSA-N 2 2 222.376 2.380 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903819293 584803652 /nfs/dbraw/zinc/80/36/52/584803652.db2.gz FKMRCRIGFCTBKV-ZLKJLUDKSA-N 2 2 218.344 2.247 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000903821021 584803986 /nfs/dbraw/zinc/80/39/86/584803986.db2.gz GAVRFVQOOZMXFD-AWEZNQCLSA-N 2 2 232.371 2.337 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000903821071 584804085 /nfs/dbraw/zinc/80/40/85/584804085.db2.gz GOKAIKMTYKAZNG-CYBMUJFWSA-N 2 2 218.344 2.083 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000903823021 584804386 /nfs/dbraw/zinc/80/43/86/584804386.db2.gz BKTIBNKTTAEUKF-GFCCVEGCSA-N 2 2 238.762 2.428 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000903825001 584804433 /nfs/dbraw/zinc/80/44/33/584804433.db2.gz WXAOIWCFAIGLSC-ZDUSSCGKSA-N 2 2 218.344 2.083 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000903824273 584804707 /nfs/dbraw/zinc/80/47/07/584804707.db2.gz OWWLZVVYUCVOGW-ZDUSSCGKSA-N 2 2 218.344 2.083 20 0 BEADLP Cc1cccnc1[C@H]([NH2+]CC[NH3+])C(C)(C)C ZINC000903829765 584805283 /nfs/dbraw/zinc/80/52/83/584805283.db2.gz JWCPFUDZXMSYSH-LBPRGKRZSA-N 2 2 221.348 2.026 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903868155 584807673 /nfs/dbraw/zinc/80/76/73/584807673.db2.gz WDNPEYHZFIFDSJ-HNNXBMFYSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903868155 584807674 /nfs/dbraw/zinc/80/76/74/584807674.db2.gz WDNPEYHZFIFDSJ-HNNXBMFYSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903868157 584807735 /nfs/dbraw/zinc/80/77/35/584807735.db2.gz WDNPEYHZFIFDSJ-OAHLLOKOSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903868157 584807736 /nfs/dbraw/zinc/80/77/36/584807736.db2.gz WDNPEYHZFIFDSJ-OAHLLOKOSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856429 584809142 /nfs/dbraw/zinc/80/91/42/584809142.db2.gz QWYWNCLFZNXYFE-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c(C)n1 ZINC000903859574 584810722 /nfs/dbraw/zinc/81/07/22/584810722.db2.gz NZHJRVNRNJAUAM-HUUCEWRRSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c(C)n1 ZINC000903859574 584810723 /nfs/dbraw/zinc/81/07/23/584810723.db2.gz NZHJRVNRNJAUAM-HUUCEWRRSA-N 2 2 245.370 2.012 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCc1cccc(F)c1 ZINC000903864735 584813054 /nfs/dbraw/zinc/81/30/54/584813054.db2.gz WKZLYQXGNXTTAV-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCc1cccc(F)c1 ZINC000903864735 584813055 /nfs/dbraw/zinc/81/30/55/584813055.db2.gz WKZLYQXGNXTTAV-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903862623 584813422 /nfs/dbraw/zinc/81/34/22/584813422.db2.gz AUHYGBABKRSADG-HIFRSBDPSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903862623 584813423 /nfs/dbraw/zinc/81/34/23/584813423.db2.gz AUHYGBABKRSADG-HIFRSBDPSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000903862623 584813424 /nfs/dbraw/zinc/81/34/24/584813424.db2.gz AUHYGBABKRSADG-HIFRSBDPSA-N 2 2 245.370 2.012 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000903873401 584815736 /nfs/dbraw/zinc/81/57/36/584815736.db2.gz QGLXVNZQGGIREG-KOLCDFICSA-N 2 2 243.301 2.134 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000903873401 584815738 /nfs/dbraw/zinc/81/57/38/584815738.db2.gz QGLXVNZQGGIREG-KOLCDFICSA-N 2 2 243.301 2.134 20 0 BEADLP C[NH2+]c1ccc(NC[C@H]([NH3+])CC(F)F)cc1 ZINC000903935911 584825529 /nfs/dbraw/zinc/82/55/29/584825529.db2.gz VYAUWHPOKOKKHL-MRVPVSSYSA-N 2 2 229.274 2.123 20 0 BEADLP C[C@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000903959309 584827444 /nfs/dbraw/zinc/82/74/44/584827444.db2.gz FDOQEMJYDGGXJX-UEKVPHQBSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960602 584828514 /nfs/dbraw/zinc/82/85/14/584828514.db2.gz QRLIFKLBCLUINX-TZMCWYRMSA-N 2 2 218.344 2.001 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000903960405 584828599 /nfs/dbraw/zinc/82/85/99/584828599.db2.gz JBVQBKWHOWULAC-TZMCWYRMSA-N 2 2 218.344 2.001 20 0 BEADLP Cc1cc(NCC2CC[NH2+]CC2)c[nH+]c1C ZINC000903947713 584829336 /nfs/dbraw/zinc/82/93/36/584829336.db2.gz FXHDIGKULJSPMV-UHFFFAOYSA-N 2 2 219.332 2.110 20 0 BEADLP Cc1cc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c[nH+]c1C ZINC000903949007 584830381 /nfs/dbraw/zinc/83/03/81/584830381.db2.gz XZVVJPHHYJXUQR-HZSPNIEDSA-N 2 2 245.370 2.498 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950882 584830548 /nfs/dbraw/zinc/83/05/48/584830548.db2.gz SQPMDTBJBBYZHS-GXFFZTMASA-N 2 2 219.332 2.332 20 0 BEADLP Nc1cc[nH+]c(C[NH2+]C2CCCCC2)c1 ZINC000903951290 584830606 /nfs/dbraw/zinc/83/06/06/584830606.db2.gz VLJOCJKKIFBIJV-UHFFFAOYSA-N 2 2 205.305 2.086 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954046 584831531 /nfs/dbraw/zinc/83/15/31/584831531.db2.gz OSVMZVCOFIXVGV-SNVBAGLBSA-N 2 2 219.332 2.332 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964058 584833783 /nfs/dbraw/zinc/83/37/83/584833783.db2.gz KMKMXRBFFBIDCR-TZMCWYRMSA-N 2 2 218.344 2.001 20 0 BEADLP COc1cc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)ccc1C ZINC000903986419 584835373 /nfs/dbraw/zinc/83/53/73/584835373.db2.gz JGXSZEPARKHVLH-AWEZNQCLSA-N 2 2 248.370 2.173 20 0 BEADLP COc1cc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)ccc1C ZINC000903986419 584835374 /nfs/dbraw/zinc/83/53/74/584835374.db2.gz JGXSZEPARKHVLH-AWEZNQCLSA-N 2 2 248.370 2.173 20 0 BEADLP CC1(C)C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000903986485 584835718 /nfs/dbraw/zinc/83/57/18/584835718.db2.gz KMIWVXUJLHXNBT-SOUVJXGZSA-N 2 2 244.382 2.459 20 0 BEADLP CC1(C)C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000903986485 584835719 /nfs/dbraw/zinc/83/57/19/584835719.db2.gz KMIWVXUJLHXNBT-SOUVJXGZSA-N 2 2 244.382 2.459 20 0 BEADLP CC(C)C[N@H+](Cc1ccccn1)CC(C)(C)[NH3+] ZINC000903987560 584836019 /nfs/dbraw/zinc/83/60/19/584836019.db2.gz GXAPRQCOIRTASS-UHFFFAOYSA-N 2 2 235.375 2.277 20 0 BEADLP CC(C)C[N@@H+](Cc1ccccn1)CC(C)(C)[NH3+] ZINC000903987560 584836020 /nfs/dbraw/zinc/83/60/20/584836020.db2.gz GXAPRQCOIRTASS-UHFFFAOYSA-N 2 2 235.375 2.277 20 0 BEADLP CO[C@H]1CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309244 584862829 /nfs/dbraw/zinc/86/28/29/584862829.db2.gz FEXXYYZSOQXYQG-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP CO[C@H]1CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309244 584862830 /nfs/dbraw/zinc/86/28/30/584862830.db2.gz FEXXYYZSOQXYQG-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1COCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340132 584866470 /nfs/dbraw/zinc/86/64/70/584866470.db2.gz DLXRAWBSOIZFEV-QWHCGFSZSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H]1COCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340132 584866472 /nfs/dbraw/zinc/86/64/72/584866472.db2.gz DLXRAWBSOIZFEV-QWHCGFSZSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000904357689 584871854 /nfs/dbraw/zinc/87/18/54/584871854.db2.gz ADFLAMVBUQUDAB-RYUDHWBXSA-N 3 2 243.439 2.103 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904380002 584876810 /nfs/dbraw/zinc/87/68/10/584876810.db2.gz ZFCCGQNKZRAERZ-QWHCGFSZSA-N 3 2 243.439 2.103 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000904378978 584876896 /nfs/dbraw/zinc/87/68/96/584876896.db2.gz OOVCWXATWSDWAP-AVGNSLFASA-N 2 2 224.392 2.482 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000904378978 584876898 /nfs/dbraw/zinc/87/68/98/584876898.db2.gz OOVCWXATWSDWAP-AVGNSLFASA-N 2 2 224.392 2.482 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000764767436 584928589 /nfs/dbraw/zinc/92/85/89/584928589.db2.gz IRXDUAHSUOTXEP-LALPHHSUSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000764767436 584928590 /nfs/dbraw/zinc/92/85/90/584928590.db2.gz IRXDUAHSUOTXEP-LALPHHSUSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817952267 584991874 /nfs/dbraw/zinc/99/18/74/584991874.db2.gz OWIORHHDOZLFBZ-MWLCHTKSSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817952269 584991899 /nfs/dbraw/zinc/99/18/99/584991899.db2.gz OWIORHHDOZLFBZ-ONGXEEELSA-N 2 2 239.750 2.138 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000756098361 585314438 /nfs/dbraw/zinc/31/44/38/585314438.db2.gz CRCNCBNUIICLAN-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000756098361 585314439 /nfs/dbraw/zinc/31/44/39/585314439.db2.gz CRCNCBNUIICLAN-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000756122544 585315018 /nfs/dbraw/zinc/31/50/18/585315018.db2.gz SSIFAGVZKIBMCT-QQFBHYJXSA-N 2 2 244.382 2.400 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000756122544 585315019 /nfs/dbraw/zinc/31/50/19/585315019.db2.gz SSIFAGVZKIBMCT-QQFBHYJXSA-N 2 2 244.382 2.400 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000759968243 585383362 /nfs/dbraw/zinc/38/33/62/585383362.db2.gz WWXUVQZAZLVRFB-IBHLPDHGSA-N 2 2 216.756 2.155 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000759968243 585383363 /nfs/dbraw/zinc/38/33/63/585383363.db2.gz WWXUVQZAZLVRFB-IBHLPDHGSA-N 2 2 216.756 2.155 20 0 BEADLP COC[C@@H](CC(C)C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766270392 585499244 /nfs/dbraw/zinc/49/92/44/585499244.db2.gz BEJVOHMULZODCA-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H](CC(C)C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766270392 585499245 /nfs/dbraw/zinc/49/92/45/585499245.db2.gz BEJVOHMULZODCA-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP c1c[nH+]c(C2CC[NH+](Cc3ccoc3)CC2)[nH]1 ZINC000769188770 585551023 /nfs/dbraw/zinc/55/10/23/585551023.db2.gz GVMXMXKSKKABHB-UHFFFAOYSA-N 2 2 231.299 2.382 20 0 BEADLP CC1CC[NH+](CC[NH2+]C2CC(C(F)F)C2)CC1 ZINC000769497353 585558350 /nfs/dbraw/zinc/55/83/50/585558350.db2.gz WRMHTYJYTFQBIZ-UHFFFAOYSA-N 2 2 246.345 2.352 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875092 585668148 /nfs/dbraw/zinc/66/81/48/585668148.db2.gz HEIQWUWADLAUEP-UONOGXRCSA-N 2 2 247.342 2.213 20 0 BEADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875092 585668149 /nfs/dbraw/zinc/66/81/49/585668149.db2.gz HEIQWUWADLAUEP-UONOGXRCSA-N 2 2 247.342 2.213 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000775205983 585673294 /nfs/dbraw/zinc/67/32/94/585673294.db2.gz RPUHCZJMALLDSF-ZDUSSCGKSA-N 2 2 245.326 2.393 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000775205983 585673295 /nfs/dbraw/zinc/67/32/95/585673295.db2.gz RPUHCZJMALLDSF-ZDUSSCGKSA-N 2 2 245.326 2.393 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)C3CC3)CC2)c1 ZINC000777840379 585720984 /nfs/dbraw/zinc/72/09/84/585720984.db2.gz QPEGYJADHHPAGX-CYBMUJFWSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](C1CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777842900 585721356 /nfs/dbraw/zinc/72/13/56/585721356.db2.gz NBRDFQXAZPTBJX-ZYHUDNBSSA-N 2 2 219.332 2.388 20 0 BEADLP C[C@H](C1CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777842900 585721357 /nfs/dbraw/zinc/72/13/57/585721357.db2.gz NBRDFQXAZPTBJX-ZYHUDNBSSA-N 2 2 219.332 2.388 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CCC=CO2)[nH+]1 ZINC000780571479 585781796 /nfs/dbraw/zinc/78/17/96/585781796.db2.gz ZLISIHAZSJHBDZ-ZDUSSCGKSA-N 2 2 243.310 2.117 20 0 BEADLP C[C@@H](C1CC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000782185623 585811178 /nfs/dbraw/zinc/81/11/78/585811178.db2.gz ZTRSUEZZPBNTFR-AAEUAGOBSA-N 2 2 219.332 2.319 20 0 BEADLP C[C@@H](C1CC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000782185623 585811179 /nfs/dbraw/zinc/81/11/79/585811179.db2.gz ZTRSUEZZPBNTFR-AAEUAGOBSA-N 2 2 219.332 2.319 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000783017585 585826965 /nfs/dbraw/zinc/82/69/65/585826965.db2.gz VUHAMPZEMJRXLX-CYBMUJFWSA-N 2 2 247.386 2.390 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000783209723 585830946 /nfs/dbraw/zinc/83/09/46/585830946.db2.gz DJVRLHYELFBSRM-AAEUAGOBSA-N 2 2 229.327 2.265 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000783209104 585831044 /nfs/dbraw/zinc/83/10/44/585831044.db2.gz AYPRHWJFCNIYPQ-WCQYABFASA-N 2 2 242.326 2.155 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000788614040 585927640 /nfs/dbraw/zinc/92/76/40/585927640.db2.gz QZEXTANHELFMFF-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@]1(C)CCCO1 ZINC000788614040 585927641 /nfs/dbraw/zinc/92/76/41/585927641.db2.gz QZEXTANHELFMFF-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@]1(C)CCCO1 ZINC000788614036 585927731 /nfs/dbraw/zinc/92/77/31/585927731.db2.gz QZEXTANHELFMFF-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@]1(C)CCCO1 ZINC000788614036 585927732 /nfs/dbraw/zinc/92/77/32/585927732.db2.gz QZEXTANHELFMFF-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(CCC[NH2+]CCOC2CCC2)c[nH+]1 ZINC000792999429 586008064 /nfs/dbraw/zinc/00/80/64/586008064.db2.gz CYQLQCARFQLGSL-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 ZINC000793047440 586009120 /nfs/dbraw/zinc/00/91/20/586009120.db2.gz LUFSJIACHAVZSH-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)C1 ZINC000793047440 586009121 /nfs/dbraw/zinc/00/91/21/586009121.db2.gz LUFSJIACHAVZSH-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C(C[N@H+]1C[C@@H]2CCC[C@@H](C2)C1)[NH+]1CCCC1 ZINC000796271560 586099751 /nfs/dbraw/zinc/09/97/51/586099751.db2.gz OCIKAKUUXHPGAJ-OKILXGFUSA-N 2 2 222.376 2.204 20 0 BEADLP C(C[N@@H+]1C[C@@H]2CCC[C@@H](C2)C1)[NH+]1CCCC1 ZINC000796271560 586099752 /nfs/dbraw/zinc/09/97/52/586099752.db2.gz OCIKAKUUXHPGAJ-OKILXGFUSA-N 2 2 222.376 2.204 20 0 BEADLP c1[nH]c(C[NH2+][C@H](c2cccnc2)C2CC2)c[nH+]1 ZINC000796447848 586103293 /nfs/dbraw/zinc/10/32/93/586103293.db2.gz FVDGMIWOQNUHGR-ZDUSSCGKSA-N 2 2 228.299 2.046 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC000757161275 586430896 /nfs/dbraw/zinc/43/08/96/586430896.db2.gz UKXAPCVCJKMOKN-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC000757161275 586430897 /nfs/dbraw/zinc/43/08/97/586430897.db2.gz UKXAPCVCJKMOKN-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(NCc2cn(C)c[nH+]2)ccc1[NH+](C)C ZINC000808397228 586471242 /nfs/dbraw/zinc/47/12/42/586471242.db2.gz LGKZRWGLOFEBGN-UHFFFAOYSA-N 2 2 244.342 2.407 20 0 BEADLP CC[C@@](C)(O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000809603295 586509053 /nfs/dbraw/zinc/50/90/53/586509053.db2.gz CJCCLELIHQNDAC-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@](C)(CO)C1CC1 ZINC000809633406 586509946 /nfs/dbraw/zinc/50/99/46/586509946.db2.gz DSBSLVXOCZMLBM-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](CCO)C1CCC1 ZINC000809649875 586510826 /nfs/dbraw/zinc/51/08/26/586510826.db2.gz GLWLAMARDHNEMP-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](CCO)C1CCC1 ZINC000809649875 586510827 /nfs/dbraw/zinc/51/08/27/586510827.db2.gz GLWLAMARDHNEMP-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccoc1 ZINC000809757691 586517760 /nfs/dbraw/zinc/51/77/60/586517760.db2.gz VPOQHYJMKRILBJ-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccoc1 ZINC000809757691 586517761 /nfs/dbraw/zinc/51/77/61/586517761.db2.gz VPOQHYJMKRILBJ-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ncc[nH]1 ZINC000813327804 586600119 /nfs/dbraw/zinc/60/01/19/586600119.db2.gz KLEAWHBNKOQMTN-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ncc[nH]1 ZINC000813327804 586600120 /nfs/dbraw/zinc/60/01/20/586600120.db2.gz KLEAWHBNKOQMTN-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC000815144069 586669817 /nfs/dbraw/zinc/66/98/17/586669817.db2.gz SVNQLGNPEGHSAL-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C/Cl)C2)C1 ZINC000815144069 586669819 /nfs/dbraw/zinc/66/98/19/586669819.db2.gz SVNQLGNPEGHSAL-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC000815144069 586669821 /nfs/dbraw/zinc/66/98/21/586669821.db2.gz SVNQLGNPEGHSAL-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/Cl)C2)C1 ZINC000815144069 586669822 /nfs/dbraw/zinc/66/98/22/586669822.db2.gz SVNQLGNPEGHSAL-UXONFWTHSA-N 2 2 228.767 2.157 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000816649223 586751658 /nfs/dbraw/zinc/75/16/58/586751658.db2.gz VYKYJKRIDQJMCD-QWRGUYRKSA-N 2 2 215.300 2.175 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000816649223 586751660 /nfs/dbraw/zinc/75/16/60/586751660.db2.gz VYKYJKRIDQJMCD-QWRGUYRKSA-N 2 2 215.300 2.175 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817897309 586835115 /nfs/dbraw/zinc/83/51/15/586835115.db2.gz JXJXRJUVZYGWBN-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@H]([NH2+]CCNc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817901158 586836029 /nfs/dbraw/zinc/83/60/29/586836029.db2.gz SSTXWFVPIILXRU-ZFWWWQNUSA-N 2 2 247.386 2.219 20 0 BEADLP COc1c(C)cc([C@@H](C)[NH2+]CC[NH3+])cc1Cl ZINC000817936023 586843863 /nfs/dbraw/zinc/84/38/63/586843863.db2.gz LUIVYBFGIXQHMN-SECBINFHSA-N 2 2 242.750 2.266 20 0 BEADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccnc1Cl ZINC000817936061 586844607 /nfs/dbraw/zinc/84/46/07/586844607.db2.gz MUZHJCJDNRQWSJ-VIFPVBQESA-N 2 2 239.750 2.138 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000817941817 586845113 /nfs/dbraw/zinc/84/51/13/586845113.db2.gz SGOQBIHRTKZUPD-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817951903 586847499 /nfs/dbraw/zinc/84/74/99/586847499.db2.gz KZJDIHGPUDTWQG-BXUZGUMPSA-N 2 2 246.354 2.024 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccnc1Cl ZINC000817957762 586850585 /nfs/dbraw/zinc/85/05/85/586850585.db2.gz DQXLDDGUWUOVDC-ONGXEEELSA-N 2 2 241.766 2.369 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccnc1Cl ZINC000817961028 586851785 /nfs/dbraw/zinc/85/17/85/586851785.db2.gz SZIJPUUMHPTOGT-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817961375 586852693 /nfs/dbraw/zinc/85/26/93/586852693.db2.gz XVEXKZYWLYZCJK-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccnc1Cl ZINC000817965395 586853791 /nfs/dbraw/zinc/85/37/91/586853791.db2.gz TVCUQHBUBSPPEC-VIFPVBQESA-N 2 2 239.750 2.267 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000817970386 586854006 /nfs/dbraw/zinc/85/40/06/586854006.db2.gz UABUVDSZBZIUFB-WDEREUQCSA-N 2 2 222.332 2.001 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccnc1Cl ZINC000817965748 586855553 /nfs/dbraw/zinc/85/55/53/586855553.db2.gz UVXWFEWIEVPDRV-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817974156 586860004 /nfs/dbraw/zinc/86/00/04/586860004.db2.gz ZSEDXYSVELJSEF-NXEZZACHSA-N 2 2 241.766 2.384 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817977775 586861981 /nfs/dbraw/zinc/86/19/81/586861981.db2.gz ONAGTMWMRPDVGW-HLTSFMKQSA-N 2 2 227.739 2.121 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)[C@H](C)[NH3+] ZINC000817977738 586862035 /nfs/dbraw/zinc/86/20/35/586862035.db2.gz NWGKWNAWUMLASK-YIZRAAEISA-N 2 2 227.739 2.121 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1Cl ZINC000818340984 586887333 /nfs/dbraw/zinc/88/73/33/586887333.db2.gz UMDSYJBRHINTDT-GHMZBOCLSA-N 2 2 239.750 2.095 20 0 BEADLP CC(C)c1nc(N2CC[C@H]([NH+](C)C)[C@H]2C)cc[nH+]1 ZINC000820596291 587057845 /nfs/dbraw/zinc/05/78/45/587057845.db2.gz SVSQTYFRGXUCIO-NEPJUHHUSA-N 2 2 248.374 2.129 20 0 BEADLP Clc1cc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000821271162 587104463 /nfs/dbraw/zinc/10/44/63/587104463.db2.gz PQEAUULVBYJKJX-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP Clc1cc(C[N@H+]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000821271162 587104464 /nfs/dbraw/zinc/10/44/64/587104464.db2.gz PQEAUULVBYJKJX-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP CO[C@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000821387903 587115618 /nfs/dbraw/zinc/11/56/18/587115618.db2.gz YMSNWDPXSBUSHK-KGLIPLIRSA-N 2 2 249.358 2.088 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC000824097683 587255215 /nfs/dbraw/zinc/25/52/15/587255215.db2.gz CULPSRNDERORJX-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)CCO1 ZINC000824097683 587255216 /nfs/dbraw/zinc/25/52/16/587255216.db2.gz CULPSRNDERORJX-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000827518760 587385853 /nfs/dbraw/zinc/38/58/53/587385853.db2.gz DUXZDBGNNVAMQI-YVNMAJEFSA-N 2 2 232.318 2.104 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000827518760 587385855 /nfs/dbraw/zinc/38/58/55/587385855.db2.gz DUXZDBGNNVAMQI-YVNMAJEFSA-N 2 2 232.318 2.104 20 0 BEADLP CC(C)CC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000827783614 587402202 /nfs/dbraw/zinc/40/22/02/587402202.db2.gz VOJSDDMOVQCYGS-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000834566693 587759631 /nfs/dbraw/zinc/75/96/31/587759631.db2.gz QHAQKAHDUCKMMJ-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000834566693 587759632 /nfs/dbraw/zinc/75/96/32/587759632.db2.gz QHAQKAHDUCKMMJ-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP COc1cc([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)ccc1N ZINC000841042701 587938495 /nfs/dbraw/zinc/93/84/95/587938495.db2.gz PXJFKGIYIHNNAO-MNOVXSKESA-N 2 2 249.358 2.077 20 0 BEADLP CC(C)CC[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841054524 587939958 /nfs/dbraw/zinc/93/99/58/587939958.db2.gz MBHDGVLLIVBZIL-UHFFFAOYSA-N 2 2 222.332 2.482 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C[NH+](C)C)cc1 ZINC000846780291 588288140 /nfs/dbraw/zinc/28/81/40/588288140.db2.gz SVTXZGFMUIVRFC-UHFFFAOYSA-N 2 2 215.300 2.149 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000847089861 588305756 /nfs/dbraw/zinc/30/57/56/588305756.db2.gz LJZPEALHZUSGGI-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000848568433 588398058 /nfs/dbraw/zinc/39/80/58/588398058.db2.gz IGBMQUBXCOPNJJ-STQMWFEESA-N 2 2 208.349 2.145 20 0 BEADLP C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000848568433 588398060 /nfs/dbraw/zinc/39/80/60/588398060.db2.gz IGBMQUBXCOPNJJ-STQMWFEESA-N 2 2 208.349 2.145 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848568641 588398348 /nfs/dbraw/zinc/39/83/48/588398348.db2.gz NHSDBWACODZFDF-XJFOESAGSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848568641 588398350 /nfs/dbraw/zinc/39/83/50/588398350.db2.gz NHSDBWACODZFDF-XJFOESAGSA-N 2 2 222.376 2.391 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cccnc2Cl)CCCC1 ZINC000849350274 588474955 /nfs/dbraw/zinc/47/49/55/588474955.db2.gz WOYIDNIGZOWDPW-UHFFFAOYSA-N 2 2 239.750 2.096 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000850120118 588521068 /nfs/dbraw/zinc/52/10/68/588521068.db2.gz WDSRSKWBQYDBJA-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000850120118 588521070 /nfs/dbraw/zinc/52/10/70/588521070.db2.gz WDSRSKWBQYDBJA-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C=CCC3)n2c1 ZINC000850359175 588539729 /nfs/dbraw/zinc/53/97/29/588539729.db2.gz ZOIQADKNDUAWBJ-GFCCVEGCSA-N 2 2 227.311 2.451 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000850438331 588546519 /nfs/dbraw/zinc/54/65/19/588546519.db2.gz DZLNSCDAJKFGSY-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000850438331 588546521 /nfs/dbraw/zinc/54/65/21/588546521.db2.gz DZLNSCDAJKFGSY-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000851771364 588625696 /nfs/dbraw/zinc/62/56/96/588625696.db2.gz CHFUEWSEFKQKMQ-SECBINFHSA-N 2 2 237.174 2.189 20 0 BEADLP C[NH+](C)C[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000851771364 588625697 /nfs/dbraw/zinc/62/56/97/588625697.db2.gz CHFUEWSEFKQKMQ-SECBINFHSA-N 2 2 237.174 2.189 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000863569649 589300486 /nfs/dbraw/zinc/30/04/86/589300486.db2.gz ZCQJDDBDUGZHRF-IINYFYTJSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000863569649 589300488 /nfs/dbraw/zinc/30/04/88/589300488.db2.gz ZCQJDDBDUGZHRF-IINYFYTJSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000863651084 589306802 /nfs/dbraw/zinc/30/68/02/589306802.db2.gz ASAJQMRCBPTONL-GFCCVEGCSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000863651084 589306804 /nfs/dbraw/zinc/30/68/04/589306804.db2.gz ASAJQMRCBPTONL-GFCCVEGCSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000863651085 589306967 /nfs/dbraw/zinc/30/69/67/589306967.db2.gz ASAJQMRCBPTONL-LBPRGKRZSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000863651085 589306968 /nfs/dbraw/zinc/30/69/68/589306968.db2.gz ASAJQMRCBPTONL-LBPRGKRZSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863643890 589306970 /nfs/dbraw/zinc/30/69/70/589306970.db2.gz AMUBPHQKZIUUCT-IUCAKERBSA-N 2 2 236.281 2.202 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])cc2cccnc12 ZINC000863652080 589307352 /nfs/dbraw/zinc/30/73/52/589307352.db2.gz PWHLCNOMRFOLNP-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])cc2cccnc12 ZINC000863652080 589307354 /nfs/dbraw/zinc/30/73/54/589307354.db2.gz PWHLCNOMRFOLNP-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP COc1ccc2oc(C[N@H+](C)C[C@H](C)[NH3+])cc2c1 ZINC000863651320 589307395 /nfs/dbraw/zinc/30/73/95/589307395.db2.gz GLPKQYLTGAXYNH-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP COc1ccc2oc(C[N@@H+](C)C[C@H](C)[NH3+])cc2c1 ZINC000863651320 589307397 /nfs/dbraw/zinc/30/73/97/589307397.db2.gz GLPKQYLTGAXYNH-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP ClC1(Cl)C[C@@H]1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000864049771 589334200 /nfs/dbraw/zinc/33/42/00/589334200.db2.gz KLXYLSQDNXUWMP-ZETCQYMHSA-N 2 2 234.130 2.083 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000866243034 589482354 /nfs/dbraw/zinc/48/23/54/589482354.db2.gz VOIZCVLCKKYLPG-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000866243034 589482355 /nfs/dbraw/zinc/48/23/55/589482355.db2.gz VOIZCVLCKKYLPG-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000866595613 589502468 /nfs/dbraw/zinc/50/24/68/589502468.db2.gz SIGVEXGEKQLSCX-YRGRVCCFSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000866595613 589502469 /nfs/dbraw/zinc/50/24/69/589502469.db2.gz SIGVEXGEKQLSCX-YRGRVCCFSA-N 2 2 248.370 2.296 20 0 BEADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cc(C2CC2)no1 ZINC000866697222 589512855 /nfs/dbraw/zinc/51/28/55/589512855.db2.gz JJXCHGLUSIJQCA-UHFFFAOYSA-N 2 2 249.358 2.126 20 0 BEADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1cc(C2CC2)no1 ZINC000866697222 589512856 /nfs/dbraw/zinc/51/28/56/589512856.db2.gz JJXCHGLUSIJQCA-UHFFFAOYSA-N 2 2 249.358 2.126 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866722328 589515036 /nfs/dbraw/zinc/51/50/36/589515036.db2.gz XEEBBKSQFKTPAL-GJZGRUSLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866722328 589515038 /nfs/dbraw/zinc/51/50/38/589515038.db2.gz XEEBBKSQFKTPAL-GJZGRUSLSA-N 2 2 230.355 2.321 20 0 BEADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC[NH+](C)C ZINC000872071564 589864340 /nfs/dbraw/zinc/86/43/40/589864340.db2.gz RJJHDQKNMQCHRO-VIFPVBQESA-N 2 2 226.286 2.259 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872106589 589872493 /nfs/dbraw/zinc/87/24/93/589872493.db2.gz HGHKJKJXXYLVAL-MCIONIFRSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872106589 589872495 /nfs/dbraw/zinc/87/24/95/589872495.db2.gz HGHKJKJXXYLVAL-MCIONIFRSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1C1CC1 ZINC000872408572 589936065 /nfs/dbraw/zinc/93/60/65/589936065.db2.gz ASZIJZNMORTNDP-NSHDSACASA-N 2 2 242.326 2.078 20 0 BEADLP c1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228447 590000508 /nfs/dbraw/zinc/00/05/08/590000508.db2.gz DZESDFDQVULTTN-UONOGXRCSA-N 2 2 216.328 2.061 20 0 BEADLP Cc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230222 590001404 /nfs/dbraw/zinc/00/14/04/590001404.db2.gz NPFTYUHDHPGFSL-HUUCEWRRSA-N 2 2 230.355 2.369 20 0 BEADLP c1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cs1 ZINC000873230263 590002047 /nfs/dbraw/zinc/00/20/47/590002047.db2.gz OIKKQBTVGZHQQB-VXGBXAGGSA-N 2 2 222.357 2.122 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)[C@@H]1CCC[NH2+]1 ZINC000873238662 590005927 /nfs/dbraw/zinc/00/59/27/590005927.db2.gz DPXJDTBJLBEQMC-RVMXOQNASA-N 2 2 228.355 2.387 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873294235 590023018 /nfs/dbraw/zinc/02/30/18/590023018.db2.gz QRVASNFMEFFTRZ-WQVCFCJDSA-N 2 2 244.382 2.479 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000124621684 590067587 /nfs/dbraw/zinc/06/75/87/590067587.db2.gz CDGDKNYQIPKULT-UHFFFAOYSA-N 2 2 214.259 2.015 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccc(C(F)F)cc1 ZINC000124621684 590067589 /nfs/dbraw/zinc/06/75/89/590067589.db2.gz CDGDKNYQIPKULT-UHFFFAOYSA-N 2 2 214.259 2.015 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H](C)C1CC1)[NH+](C)C ZINC000020201421 590085649 /nfs/dbraw/zinc/08/56/49/590085649.db2.gz AHTOXQISCUCXPA-DGCLKSJQSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1CC)OC ZINC000876882026 590252837 /nfs/dbraw/zinc/25/28/37/590252837.db2.gz XPVXHUXSDOATPF-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CC)OC ZINC000876882026 590252838 /nfs/dbraw/zinc/25/28/38/590252838.db2.gz XPVXHUXSDOATPF-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743760 590412212 /nfs/dbraw/zinc/41/22/12/590412212.db2.gz YFAMJOPHEOLXNX-KBPBESRZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743760 590412213 /nfs/dbraw/zinc/41/22/13/590412213.db2.gz YFAMJOPHEOLXNX-KBPBESRZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743760 590412214 /nfs/dbraw/zinc/41/22/14/590412214.db2.gz YFAMJOPHEOLXNX-KBPBESRZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743760 590412215 /nfs/dbraw/zinc/41/22/15/590412215.db2.gz YFAMJOPHEOLXNX-KBPBESRZSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744854 590412691 /nfs/dbraw/zinc/41/26/91/590412691.db2.gz YKVANOLHXDDTKI-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744854 590412696 /nfs/dbraw/zinc/41/26/96/590412696.db2.gz YKVANOLHXDDTKI-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744854 590412698 /nfs/dbraw/zinc/41/26/98/590412698.db2.gz YKVANOLHXDDTKI-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000877744854 590412701 /nfs/dbraw/zinc/41/27/01/590412701.db2.gz YKVANOLHXDDTKI-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1conc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878058768 590484842 /nfs/dbraw/zinc/48/48/42/590484842.db2.gz FZWNOJWSVUREEA-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1conc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878058768 590484844 /nfs/dbraw/zinc/48/48/44/590484844.db2.gz FZWNOJWSVUREEA-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1conc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000878288001 590534003 /nfs/dbraw/zinc/53/40/03/590534003.db2.gz LORDBCQGKVSOQQ-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1conc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878288001 590534005 /nfs/dbraw/zinc/53/40/05/590534005.db2.gz LORDBCQGKVSOQQ-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP C=C/C=C/CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878301830 590538937 /nfs/dbraw/zinc/53/89/37/590538937.db2.gz CLZJPRDGVDHDKE-IHVVCDCBSA-N 2 2 231.343 2.342 20 0 BEADLP C=C/C=C/CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878301830 590538939 /nfs/dbraw/zinc/53/89/39/590538939.db2.gz CLZJPRDGVDHDKE-IHVVCDCBSA-N 2 2 231.343 2.342 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1ccccc1 ZINC000880130986 590932009 /nfs/dbraw/zinc/93/20/09/590932009.db2.gz IYVQSGTZNNJJEN-HOTGVXAUSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1ccccc1 ZINC000880130986 590932012 /nfs/dbraw/zinc/93/20/12/590932012.db2.gz IYVQSGTZNNJJEN-HOTGVXAUSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000880130986 590932014 /nfs/dbraw/zinc/93/20/14/590932014.db2.gz IYVQSGTZNNJJEN-HOTGVXAUSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1ccccc1 ZINC000880130986 590932016 /nfs/dbraw/zinc/93/20/16/590932016.db2.gz IYVQSGTZNNJJEN-HOTGVXAUSA-N 2 2 244.382 2.398 20 0 BEADLP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880133504 590933590 /nfs/dbraw/zinc/93/35/90/590933590.db2.gz PBWUYDVHIAPGBG-CHWSQXEVSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880133504 590933593 /nfs/dbraw/zinc/93/35/93/590933593.db2.gz PBWUYDVHIAPGBG-CHWSQXEVSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880133504 590933595 /nfs/dbraw/zinc/93/35/95/590933595.db2.gz PBWUYDVHIAPGBG-CHWSQXEVSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880133504 590933599 /nfs/dbraw/zinc/93/35/99/590933599.db2.gz PBWUYDVHIAPGBG-CHWSQXEVSA-N 2 2 210.365 2.345 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132501 590935436 /nfs/dbraw/zinc/93/54/36/590935436.db2.gz POIUATXBLRUSTJ-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132501 590935437 /nfs/dbraw/zinc/93/54/37/590935437.db2.gz POIUATXBLRUSTJ-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000880132501 590935439 /nfs/dbraw/zinc/93/54/39/590935439.db2.gz POIUATXBLRUSTJ-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000880132501 590935440 /nfs/dbraw/zinc/93/54/40/590935440.db2.gz POIUATXBLRUSTJ-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(F)(F)F ZINC000880134877 590936124 /nfs/dbraw/zinc/93/61/24/590936124.db2.gz WVJPFHTUSLBPPW-ZJUUUORDSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(F)(F)F ZINC000880134877 590936126 /nfs/dbraw/zinc/93/61/26/590936126.db2.gz WVJPFHTUSLBPPW-ZJUUUORDSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(F)(F)F ZINC000880134877 590936128 /nfs/dbraw/zinc/93/61/28/590936128.db2.gz WVJPFHTUSLBPPW-ZJUUUORDSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(F)(F)F ZINC000880134877 590936130 /nfs/dbraw/zinc/93/61/30/590936130.db2.gz WVJPFHTUSLBPPW-ZJUUUORDSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(F)(F)F ZINC000880134875 590936908 /nfs/dbraw/zinc/93/69/08/590936908.db2.gz WVJPFHTUSLBPPW-VHSXEESVSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(F)(F)F ZINC000880134875 590936910 /nfs/dbraw/zinc/93/69/10/590936910.db2.gz WVJPFHTUSLBPPW-VHSXEESVSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(F)(F)F ZINC000880134875 590936913 /nfs/dbraw/zinc/93/69/13/590936913.db2.gz WVJPFHTUSLBPPW-VHSXEESVSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(F)(F)F ZINC000880134875 590936916 /nfs/dbraw/zinc/93/69/16/590936916.db2.gz WVJPFHTUSLBPPW-VHSXEESVSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(F)(F)F ZINC000880134872 590937149 /nfs/dbraw/zinc/93/71/49/590937149.db2.gz WVJPFHTUSLBPPW-UWVGGRQHSA-N 2 2 236.281 2.107 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(F)(F)F ZINC000880134872 590937151 /nfs/dbraw/zinc/93/71/51/590937151.db2.gz WVJPFHTUSLBPPW-UWVGGRQHSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(F)(F)F ZINC000880134872 590937155 /nfs/dbraw/zinc/93/71/55/590937155.db2.gz WVJPFHTUSLBPPW-UWVGGRQHSA-N 2 2 236.281 2.107 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(F)(F)F ZINC000880134872 590937157 /nfs/dbraw/zinc/93/71/57/590937157.db2.gz WVJPFHTUSLBPPW-UWVGGRQHSA-N 2 2 236.281 2.107 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880141987 590942591 /nfs/dbraw/zinc/94/25/91/590942591.db2.gz LJHUHLBVGGQHFQ-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880141987 590942592 /nfs/dbraw/zinc/94/25/92/590942592.db2.gz LJHUHLBVGGQHFQ-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141987 590942593 /nfs/dbraw/zinc/94/25/93/590942593.db2.gz LJHUHLBVGGQHFQ-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141987 590942594 /nfs/dbraw/zinc/94/25/94/590942594.db2.gz LJHUHLBVGGQHFQ-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880141203 590943288 /nfs/dbraw/zinc/94/32/88/590943288.db2.gz HNPRBUOFMJVGTD-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141203 590943291 /nfs/dbraw/zinc/94/32/91/590943291.db2.gz HNPRBUOFMJVGTD-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141203 590943294 /nfs/dbraw/zinc/94/32/94/590943294.db2.gz HNPRBUOFMJVGTD-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141203 590943295 /nfs/dbraw/zinc/94/32/95/590943295.db2.gz HNPRBUOFMJVGTD-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141944 590943433 /nfs/dbraw/zinc/94/34/33/590943433.db2.gz LDNRAUPNJKVKHT-NEPJUHHUSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141944 590943437 /nfs/dbraw/zinc/94/34/37/590943437.db2.gz LDNRAUPNJKVKHT-NEPJUHHUSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC000880141944 590943439 /nfs/dbraw/zinc/94/34/39/590943439.db2.gz LDNRAUPNJKVKHT-NEPJUHHUSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC(F)(F)C1 ZINC000880141944 590943441 /nfs/dbraw/zinc/94/34/41/590943441.db2.gz LDNRAUPNJKVKHT-NEPJUHHUSA-N 2 2 244.329 2.200 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203569 590957900 /nfs/dbraw/zinc/95/79/00/590957900.db2.gz CTGMGTUHLROHAS-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203569 590957901 /nfs/dbraw/zinc/95/79/01/590957901.db2.gz CTGMGTUHLROHAS-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000211491363 591177610 /nfs/dbraw/zinc/17/76/10/591177610.db2.gz ZTHHDIVOPLDQQO-SWLSCSKDSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000211491363 591177611 /nfs/dbraw/zinc/17/76/11/591177611.db2.gz ZTHHDIVOPLDQQO-SWLSCSKDSA-N 2 2 230.355 2.401 20 0 BEADLP Cc1[nH+]cnc(NCC2([NH+](C)C)CCCC2)c1C ZINC000881800186 591271772 /nfs/dbraw/zinc/27/17/72/591271772.db2.gz SRDBKRCCGYPTOQ-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@H]2C=CCC2)[nH+]1 ZINC000883238330 591583477 /nfs/dbraw/zinc/58/34/77/591583477.db2.gz YZZQDIPPLZDNEP-LBPRGKRZSA-N 2 2 227.311 2.390 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249514 591590839 /nfs/dbraw/zinc/59/08/39/591590839.db2.gz IXHRYRQFRRSYTD-YPMHNXCESA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883249514 591590843 /nfs/dbraw/zinc/59/08/43/591590843.db2.gz IXHRYRQFRRSYTD-YPMHNXCESA-N 2 2 222.376 2.106 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000883251624 591592596 /nfs/dbraw/zinc/59/25/96/591592596.db2.gz WPIOQHBQVLDMFS-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000883251624 591592599 /nfs/dbraw/zinc/59/25/99/591592599.db2.gz WPIOQHBQVLDMFS-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883319203 591613809 /nfs/dbraw/zinc/61/38/09/591613809.db2.gz SQQRDXWUKYFSMD-QSLWVIQJSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883319203 591613810 /nfs/dbraw/zinc/61/38/10/591613810.db2.gz SQQRDXWUKYFSMD-QSLWVIQJSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1cc(N[C@H]2C[N@@H+](C)C[C@H]2C)c[nH+]c1C ZINC000883342458 591621923 /nfs/dbraw/zinc/62/19/23/591621923.db2.gz YSJDVZQIIIDQAL-MFKMUULPSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1cc(N[C@H]2C[N@H+](C)C[C@H]2C)c[nH+]c1C ZINC000883342458 591621925 /nfs/dbraw/zinc/62/19/25/591621925.db2.gz YSJDVZQIIIDQAL-MFKMUULPSA-N 2 2 219.332 2.060 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000883355316 591625893 /nfs/dbraw/zinc/62/58/93/591625893.db2.gz OEQGGBSREGOLJZ-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000883355316 591625899 /nfs/dbraw/zinc/62/58/99/591625899.db2.gz OEQGGBSREGOLJZ-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883415814 591652972 /nfs/dbraw/zinc/65/29/72/591652972.db2.gz FOJPERARWAISLY-GHMZBOCLSA-N 2 2 232.318 2.235 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883415814 591652974 /nfs/dbraw/zinc/65/29/74/591652974.db2.gz FOJPERARWAISLY-GHMZBOCLSA-N 2 2 232.318 2.235 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883414869 591653186 /nfs/dbraw/zinc/65/31/86/591653186.db2.gz HXPMOAGRJKJQEB-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883414869 591653189 /nfs/dbraw/zinc/65/31/89/591653189.db2.gz HXPMOAGRJKJQEB-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP C[N@H+](CC[NH3+])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883432852 591663033 /nfs/dbraw/zinc/66/30/33/591663033.db2.gz BRLSVHJQLHOZCW-LSDHHAIUSA-N 2 2 248.370 2.187 20 0 BEADLP C[N@@H+](CC[NH3+])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000883432852 591663035 /nfs/dbraw/zinc/66/30/35/591663035.db2.gz BRLSVHJQLHOZCW-LSDHHAIUSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1C1([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883434091 591664720 /nfs/dbraw/zinc/66/47/20/591664720.db2.gz GQSDAOFMDBKURE-STQMWFEESA-N 2 2 248.345 2.274 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@H]1CCCC1(F)F ZINC000883435819 591666434 /nfs/dbraw/zinc/66/64/34/591666434.db2.gz DEPZUDISAVZZEF-MOENNCHZSA-N 2 2 244.329 2.235 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2CC[C@H]1CCCC1(F)F ZINC000883435819 591666437 /nfs/dbraw/zinc/66/64/37/591666437.db2.gz DEPZUDISAVZZEF-MOENNCHZSA-N 2 2 244.329 2.235 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(Cl)n1 ZINC000883441523 591668139 /nfs/dbraw/zinc/66/81/39/591668139.db2.gz QROYAXMRLJRTHR-HTQZYQBOSA-N 2 2 245.779 2.012 20 0 BEADLP C[C@H]1OCC[C@@H]1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455084 591672333 /nfs/dbraw/zinc/67/23/33/591672333.db2.gz SPIBGUSLJIQZLJ-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H]1OCC[C@@H]1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455084 591672338 /nfs/dbraw/zinc/67/23/38/591672338.db2.gz SPIBGUSLJIQZLJ-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000134114965 591887959 /nfs/dbraw/zinc/88/79/59/591887959.db2.gz XRUGKJGRQDSKDW-UMVBOHGHSA-N 2 2 248.370 2.104 20 0 BEADLP CCc1nc(NCC[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000884528473 591967668 /nfs/dbraw/zinc/96/76/68/591967668.db2.gz PUJCVHOXZCTKMD-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1nc(NCC[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000884528473 591967670 /nfs/dbraw/zinc/96/76/70/591967670.db2.gz PUJCVHOXZCTKMD-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc2cccnc21 ZINC000135295833 592003912 /nfs/dbraw/zinc/00/39/12/592003912.db2.gz HOVDLXJYPWNAPE-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc2cccnc21 ZINC000135295833 592003913 /nfs/dbraw/zinc/00/39/13/592003913.db2.gz HOVDLXJYPWNAPE-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885969337 592118769 /nfs/dbraw/zinc/11/87/69/592118769.db2.gz OZRBWYSTLWOUAK-LYKUJDHUSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885969337 592118771 /nfs/dbraw/zinc/11/87/71/592118771.db2.gz OZRBWYSTLWOUAK-LYKUJDHUSA-N 2 2 234.318 2.133 20 0 BEADLP Cc1coc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000886109875 592156723 /nfs/dbraw/zinc/15/67/23/592156723.db2.gz UFHMYEUJJZTBSW-UHFFFAOYSA-N 2 2 245.326 2.411 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813997 592336383 /nfs/dbraw/zinc/33/63/83/592336383.db2.gz ZMBSFNBTOUBSMP-WCQYABFASA-N 2 2 208.349 2.025 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813997 592336388 /nfs/dbraw/zinc/33/63/88/592336388.db2.gz ZMBSFNBTOUBSMP-WCQYABFASA-N 2 2 208.349 2.025 20 0 BEADLP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841245 592359735 /nfs/dbraw/zinc/35/97/35/592359735.db2.gz GBRUATQVOPNFJZ-LXTVHRRPSA-N 2 2 234.387 2.249 20 0 BEADLP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841245 592359740 /nfs/dbraw/zinc/35/97/40/592359740.db2.gz GBRUATQVOPNFJZ-LXTVHRRPSA-N 2 2 234.387 2.249 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+]CCn1cc[nH+]c1 ZINC000221759232 592445458 /nfs/dbraw/zinc/44/54/58/592445458.db2.gz GSSYSSZDXFNQRN-LBPRGKRZSA-N 2 2 247.317 2.243 20 0 BEADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000300013228 592500232 /nfs/dbraw/zinc/50/02/32/592500232.db2.gz XNZGSURQQPDAJA-UBHSHLNASA-N 2 2 222.376 2.273 20 0 BEADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000300013228 592500235 /nfs/dbraw/zinc/50/02/35/592500235.db2.gz XNZGSURQQPDAJA-UBHSHLNASA-N 2 2 222.376 2.273 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1cccc(F)c1)[NH+](C)C ZINC000223198304 592519987 /nfs/dbraw/zinc/51/99/87/592519987.db2.gz PGPQLGFMZVCTMH-NWDGAFQWSA-N 2 2 238.350 2.296 20 0 BEADLP c1ccc(CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000257709985 634478089 /nfs/dbraw/zinc/47/80/89/634478089.db2.gz SOFGACQQXQSQOD-INIZCTEOSA-N 2 2 244.382 2.447 20 0 BEADLP c1ccc(CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000257709985 634478093 /nfs/dbraw/zinc/47/80/93/634478093.db2.gz SOFGACQQXQSQOD-INIZCTEOSA-N 2 2 244.382 2.447 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000054111066 635392162 /nfs/dbraw/zinc/39/21/62/635392162.db2.gz PHNIXUCPWJBJNU-CYBMUJFWSA-N 2 2 210.365 2.273 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000054111066 635392170 /nfs/dbraw/zinc/39/21/70/635392170.db2.gz PHNIXUCPWJBJNU-CYBMUJFWSA-N 2 2 210.365 2.273 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309797732 632669577 /nfs/dbraw/zinc/66/95/77/632669577.db2.gz QOYRSNJZPLWWCF-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000309797732 632669583 /nfs/dbraw/zinc/66/95/83/632669583.db2.gz QOYRSNJZPLWWCF-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000309797733 632670096 /nfs/dbraw/zinc/67/00/96/632670096.db2.gz QOYRSNJZPLWWCF-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000309797733 632670099 /nfs/dbraw/zinc/67/00/99/632670099.db2.gz QOYRSNJZPLWWCF-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712636 632857960 /nfs/dbraw/zinc/85/79/60/632857960.db2.gz AAXLZVMXJMOCFK-LJISPDSOSA-N 2 2 234.387 2.415 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712636 632857963 /nfs/dbraw/zinc/85/79/63/632857963.db2.gz AAXLZVMXJMOCFK-LJISPDSOSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000080232580 633047675 /nfs/dbraw/zinc/04/76/75/633047675.db2.gz IBOGDDOUDUDOPZ-AAEUAGOBSA-N 2 2 218.344 2.417 20 0 BEADLP C[C@@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000080232580 633047684 /nfs/dbraw/zinc/04/76/84/633047684.db2.gz IBOGDDOUDUDOPZ-AAEUAGOBSA-N 2 2 218.344 2.417 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H]1C ZINC000309559209 633199562 /nfs/dbraw/zinc/19/95/62/633199562.db2.gz KNCXWROZMDEORD-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H]1C ZINC000309559209 633199565 /nfs/dbraw/zinc/19/95/65/633199565.db2.gz KNCXWROZMDEORD-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000309801782 633755420 /nfs/dbraw/zinc/75/54/20/633755420.db2.gz RGTZJSJBEFCFPT-NWDGAFQWSA-N 2 2 219.332 2.272 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000309741965 634000695 /nfs/dbraw/zinc/00/06/95/634000695.db2.gz HYIKICOTTOCRGM-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000309741965 634000696 /nfs/dbraw/zinc/00/06/96/634000696.db2.gz HYIKICOTTOCRGM-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]C1CCC1)c1ccccc1 ZINC000925597962 634117137 /nfs/dbraw/zinc/11/71/37/634117137.db2.gz ZHUOJJIMWNOVHH-MFKMUULPSA-N 2 2 204.317 2.217 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000053343816 634171043 /nfs/dbraw/zinc/17/10/43/634171043.db2.gz MYEPDGOJYMUEGK-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000053343816 634171048 /nfs/dbraw/zinc/17/10/48/634171048.db2.gz MYEPDGOJYMUEGK-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CCCSC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000893345892 634238506 /nfs/dbraw/zinc/23/85/06/634238506.db2.gz ZIKAAZMSGYXORF-MNOVXSKESA-N 2 2 218.410 2.058 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1F)CC(C)(C)C[NH3+] ZINC000093861185 635130990 /nfs/dbraw/zinc/13/09/90/635130990.db2.gz CTCKAYSPZIOXHP-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1F)CC(C)(C)C[NH3+] ZINC000093861185 635130993 /nfs/dbraw/zinc/13/09/93/635130993.db2.gz CTCKAYSPZIOXHP-UHFFFAOYSA-N 2 2 242.313 2.382 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000258756963 635196109 /nfs/dbraw/zinc/19/61/09/635196109.db2.gz MRSVELZBLBZNEG-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C[C@@H](C)[NH3+])cc1C ZINC000258756963 635196112 /nfs/dbraw/zinc/19/61/12/635196112.db2.gz MRSVELZBLBZNEG-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCNc2ccccc21 ZINC000925782331 635278921 /nfs/dbraw/zinc/27/89/21/635278921.db2.gz FMIFDQARTBVSHK-BYCMXARLSA-N 2 2 245.370 2.131 20 0 BEADLP COCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924685674 636991604 /nfs/dbraw/zinc/99/16/04/636991604.db2.gz QRLQZSKXZQBIOC-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924685674 636991610 /nfs/dbraw/zinc/99/16/10/636991610.db2.gz QRLQZSKXZQBIOC-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924745531 637068933 /nfs/dbraw/zinc/06/89/33/637068933.db2.gz CYIGNUGHBSNPJC-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924745531 637068940 /nfs/dbraw/zinc/06/89/40/637068940.db2.gz CYIGNUGHBSNPJC-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792324 637383568 /nfs/dbraw/zinc/38/35/68/637383568.db2.gz UMVBRFOQMYSBBM-CRWXNKLISA-N 2 2 220.360 2.025 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792324 637383578 /nfs/dbraw/zinc/38/35/78/637383578.db2.gz UMVBRFOQMYSBBM-CRWXNKLISA-N 2 2 220.360 2.025 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000904443267 637410896 /nfs/dbraw/zinc/41/08/96/637410896.db2.gz IQJQUAJIAQTVND-UHFFFAOYSA-N 2 2 228.698 2.060 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000904445495 637414954 /nfs/dbraw/zinc/41/49/54/637414954.db2.gz VUYDDFNTILGTIM-UHFFFAOYSA-N 2 2 244.260 2.344 20 0 BEADLP CC1(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000904458928 637420110 /nfs/dbraw/zinc/42/01/10/637420110.db2.gz KQUXXNJZGZNNPG-CHWSQXEVSA-N 2 2 216.328 2.001 20 0 BEADLP CC(C)(C)c1cnc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906510023 638184409 /nfs/dbraw/zinc/18/44/09/638184409.db2.gz HMXAQFLNKCBVBD-UHFFFAOYSA-N 2 2 239.388 2.020 20 0 BEADLP CC(C)(C)c1cnc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 ZINC000906517573 638187577 /nfs/dbraw/zinc/18/75/77/638187577.db2.gz HMXAQFLNKCBVBD-KYZUINATSA-N 2 2 239.388 2.020 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000668677346 638673594 /nfs/dbraw/zinc/67/35/94/638673594.db2.gz MSCXDMXXWFUMHD-VXGBXAGGSA-N 2 2 227.311 2.176 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000668677346 638673602 /nfs/dbraw/zinc/67/36/02/638673602.db2.gz MSCXDMXXWFUMHD-VXGBXAGGSA-N 2 2 227.311 2.176 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278549 640130580 /nfs/dbraw/zinc/13/05/80/640130580.db2.gz FJBNHHPZXLWLDE-FICVDOATSA-N 2 2 248.345 2.126 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278549 640130584 /nfs/dbraw/zinc/13/05/84/640130584.db2.gz FJBNHHPZXLWLDE-FICVDOATSA-N 2 2 248.345 2.126 20 0 BEADLP CC(C)=CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516174 640245407 /nfs/dbraw/zinc/24/54/07/640245407.db2.gz QICFKDXOVYDNPT-UHFFFAOYSA-N 2 2 231.343 2.378 20 0 BEADLP CC(C)=CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516174 640245413 /nfs/dbraw/zinc/24/54/13/640245413.db2.gz QICFKDXOVYDNPT-UHFFFAOYSA-N 2 2 231.343 2.378 20 0 BEADLP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720175 640339923 /nfs/dbraw/zinc/33/99/23/640339923.db2.gz OPQGCCAKHGTZBE-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931720175 640339930 /nfs/dbraw/zinc/33/99/30/640339930.db2.gz OPQGCCAKHGTZBE-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931720175 640339934 /nfs/dbraw/zinc/33/99/34/640339934.db2.gz OPQGCCAKHGTZBE-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720175 640339942 /nfs/dbraw/zinc/33/99/42/640339942.db2.gz OPQGCCAKHGTZBE-UPJWGTAASA-N 2 2 210.365 2.201 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000226815935 640795095 /nfs/dbraw/zinc/79/50/95/640795095.db2.gz ZFGSYRAGAJNDFN-AWEZNQCLSA-N 2 2 245.370 2.143 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934005638 640805349 /nfs/dbraw/zinc/80/53/49/640805349.db2.gz SJBNCVOATQFVGC-UHFFFAOYSA-N 2 2 245.326 2.220 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005638 640805352 /nfs/dbraw/zinc/80/53/52/640805352.db2.gz SJBNCVOATQFVGC-UHFFFAOYSA-N 2 2 245.326 2.220 20 0 BEADLP CCCCC1([NH2+]CCn2cc[nH+]c2)CC1 ZINC000934204854 641101217 /nfs/dbraw/zinc/10/12/17/641101217.db2.gz BFKAJBQVJGWTIS-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)C[Si](C)(C)C)CC[N@@H+]1C ZINC000172849412 641118866 /nfs/dbraw/zinc/11/88/66/641118866.db2.gz DTORBMYLCYFYDP-NEPJUHHUSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)C[Si](C)(C)C)CC[N@H+]1C ZINC000172849412 641118869 /nfs/dbraw/zinc/11/88/69/641118869.db2.gz DTORBMYLCYFYDP-NEPJUHHUSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849412 641118870 /nfs/dbraw/zinc/11/88/70/641118870.db2.gz DTORBMYLCYFYDP-NEPJUHHUSA-N 2 2 228.456 2.278 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)C[Si](C)(C)C)CC[NH+]1C ZINC000172849412 641118873 /nfs/dbraw/zinc/11/88/73/641118873.db2.gz DTORBMYLCYFYDP-NEPJUHHUSA-N 2 2 228.456 2.278 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382246386 711505305 /nfs/dbraw/zinc/50/53/05/711505305.db2.gz JXRHLXJDAGWXCU-JXQTWKCFSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382246386 711505306 /nfs/dbraw/zinc/50/53/06/711505306.db2.gz JXRHLXJDAGWXCU-JXQTWKCFSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](Cc1c(C)cccc1C)[C@H]1CC[NH2+]C1 ZINC000215532894 641689447 /nfs/dbraw/zinc/68/94/47/641689447.db2.gz XVNWQTOCDNWVDG-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1c(C)cccc1C)[C@H]1CC[NH2+]C1 ZINC000215532894 641689450 /nfs/dbraw/zinc/68/94/50/641689450.db2.gz XVNWQTOCDNWVDG-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499082 643030436 /nfs/dbraw/zinc/03/04/36/643030436.db2.gz OULACIFVRLPZMT-HNNXBMFYSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499082 643030443 /nfs/dbraw/zinc/03/04/43/643030443.db2.gz OULACIFVRLPZMT-HNNXBMFYSA-N 2 2 230.355 2.098 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)C ZINC000252712824 643096333 /nfs/dbraw/zinc/09/63/33/643096333.db2.gz NLNRCSLCMVQCKM-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)C ZINC000252712824 643096342 /nfs/dbraw/zinc/09/63/42/643096342.db2.gz NLNRCSLCMVQCKM-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000254972069 643193074 /nfs/dbraw/zinc/19/30/74/643193074.db2.gz SCUBPZPEJFITGF-HWPRWLFBSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000254972069 643193079 /nfs/dbraw/zinc/19/30/79/643193079.db2.gz SCUBPZPEJFITGF-HWPRWLFBSA-N 2 2 230.783 2.403 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000082595024 643351674 /nfs/dbraw/zinc/35/16/74/643351674.db2.gz FIRZTMBWMTWMRS-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000082595024 643351678 /nfs/dbraw/zinc/35/16/78/643351678.db2.gz FIRZTMBWMTWMRS-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602408 643353070 /nfs/dbraw/zinc/35/30/70/643353070.db2.gz RFXKRJJESORISE-LBPRGKRZSA-N 2 2 238.400 2.365 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602408 643353075 /nfs/dbraw/zinc/35/30/75/643353075.db2.gz RFXKRJJESORISE-LBPRGKRZSA-N 2 2 238.400 2.365 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000050247102 643662771 /nfs/dbraw/zinc/66/27/71/643662771.db2.gz RKRCSHDMQGNZBA-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000050247102 643662779 /nfs/dbraw/zinc/66/27/79/643662779.db2.gz RKRCSHDMQGNZBA-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP CCc1ncc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000923296114 644335784 /nfs/dbraw/zinc/33/57/84/644335784.db2.gz CHMYPKPFPWOZHP-LBPRGKRZSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1ncc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000923296114 644335786 /nfs/dbraw/zinc/33/57/86/644335786.db2.gz CHMYPKPFPWOZHP-LBPRGKRZSA-N 2 2 239.363 2.042 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCc1cccc(F)c1)C2 ZINC000923400399 644407104 /nfs/dbraw/zinc/40/71/04/644407104.db2.gz XZMWSZIEQUEHEC-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923400399 644407108 /nfs/dbraw/zinc/40/71/08/644407108.db2.gz XZMWSZIEQUEHEC-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccnc2ccccc12 ZINC000092365272 644655539 /nfs/dbraw/zinc/65/55/39/644655539.db2.gz ISRJLVMDVIIGAE-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000092365272 644655542 /nfs/dbraw/zinc/65/55/42/644655542.db2.gz ISRJLVMDVIIGAE-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000094371220 644716806 /nfs/dbraw/zinc/71/68/06/644716806.db2.gz LOQCCOJTONXCIP-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C1CC12C[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926612626 645314633 /nfs/dbraw/zinc/31/46/33/645314633.db2.gz CCALEYHPWMNVGE-AVGNSLFASA-N 2 2 220.360 2.145 20 0 BEADLP C1CC12C[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926612626 645314639 /nfs/dbraw/zinc/31/46/39/645314639.db2.gz CCALEYHPWMNVGE-AVGNSLFASA-N 2 2 220.360 2.145 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883093390 645847697 /nfs/dbraw/zinc/84/76/97/645847697.db2.gz UBZIMFIDFOOMRR-CRWXNKLISA-N 2 2 245.370 2.366 20 0 BEADLP CC(C)c1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)on1 ZINC000925498618 645932432 /nfs/dbraw/zinc/93/24/32/645932432.db2.gz HKTOEIPHMGXPPE-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC[NH+](CC)CC ZINC000924542826 646061852 /nfs/dbraw/zinc/06/18/52/646061852.db2.gz OMQUITCPAMIODS-UONOGXRCSA-N 2 2 244.423 2.248 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccns1 ZINC000924647029 646084435 /nfs/dbraw/zinc/08/44/35/646084435.db2.gz CJIIHXRSERLWCH-ZJUUUORDSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccns1 ZINC000924647027 646084471 /nfs/dbraw/zinc/08/44/71/646084471.db2.gz CJIIHXRSERLWCH-VHSXEESVSA-N 2 2 236.344 2.079 20 0 BEADLP CC[C@H](C[C@](C)(O)CC)[NH2+]CC[N@H+](C)C(C)C ZINC000924903062 646128101 /nfs/dbraw/zinc/12/81/01/646128101.db2.gz FLRLWNXMAIJULH-ZIAGYGMSSA-N 2 2 244.423 2.246 20 0 BEADLP CC[C@H](C[C@](C)(O)CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000924903062 646128108 /nfs/dbraw/zinc/12/81/08/646128108.db2.gz FLRLWNXMAIJULH-ZIAGYGMSSA-N 2 2 244.423 2.246 20 0 BEADLP C[C@@H](C[NH2+][C@H](C1CC1)C(C)(C)C)[NH+](C)C ZINC000924957382 646142077 /nfs/dbraw/zinc/14/20/77/646142077.db2.gz LOGOQFUTOMYBIQ-CMPLNLGQSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000925490508 646299006 /nfs/dbraw/zinc/29/90/06/646299006.db2.gz OBFDYGMDQDWJQG-DNIRFERGSA-N 2 2 204.317 2.073 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000925490509 646300414 /nfs/dbraw/zinc/30/04/14/646300414.db2.gz OBFDYGMDQDWJQG-UKJIMTQDSA-N 2 2 204.317 2.073 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c(C)c1 ZINC000925582902 646346042 /nfs/dbraw/zinc/34/60/42/646346042.db2.gz IRIFSPNQFKMVLN-CQSZACIVSA-N 2 2 248.370 2.234 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000925669388 646400138 /nfs/dbraw/zinc/40/01/38/646400138.db2.gz BOHQAYSKRGBZOZ-QMMMGPOBSA-N 2 2 236.281 2.059 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000925673703 646403709 /nfs/dbraw/zinc/40/37/09/646403709.db2.gz OYSYYWRUIRARKQ-IUODEOHRSA-N 2 2 246.354 2.011 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000925712067 646437108 /nfs/dbraw/zinc/43/71/08/646437108.db2.gz ZWTJDOGVPIHNKG-CYZMBNFOSA-N 2 2 216.328 2.217 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000925712069 646437356 /nfs/dbraw/zinc/43/73/56/646437356.db2.gz ZWTJDOGVPIHNKG-UHTWSYAYSA-N 2 2 216.328 2.217 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1 ZINC000925727072 646451313 /nfs/dbraw/zinc/45/13/13/646451313.db2.gz XRWVTZCLVRKOPS-FPVZYODXSA-N 2 2 248.370 2.230 20 0 BEADLP Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC000925768827 646466460 /nfs/dbraw/zinc/46/64/60/646466460.db2.gz LGRBFHQXRDSYPI-WCQYABFASA-N 2 2 219.332 2.251 20 0 BEADLP Cc1cc(N[C@@H]2C[C@@H]([NH3+])C23CCC3)c[nH+]c1C ZINC000925768566 646468818 /nfs/dbraw/zinc/46/88/18/646468818.db2.gz KRVNQGBDFVQJHC-CHWSQXEVSA-N 2 2 231.343 2.380 20 0 BEADLP Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)c[nH+]c1C ZINC000925768197 646469570 /nfs/dbraw/zinc/46/95/70/646469570.db2.gz IFGQFMJBRAMVES-YPMHNXCESA-N 2 2 219.332 2.251 20 0 BEADLP Cc1cc(N[C@H]2CC[NH2+]C23CCC3)c[nH+]c1C ZINC000925771353 646470612 /nfs/dbraw/zinc/47/06/12/646470612.db2.gz ZUTOJTGPUBDYHL-ZDUSSCGKSA-N 2 2 231.343 2.395 20 0 BEADLP C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1F)C1C[NH2+]C1 ZINC000925769496 646470655 /nfs/dbraw/zinc/47/06/55/646470655.db2.gz FDOUZVUCYBCAIO-LKTVYLICSA-N 2 2 248.345 2.210 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000925782599 646478605 /nfs/dbraw/zinc/47/86/05/646478605.db2.gz LHEPQOWXEYMOGV-KMUNFCNLSA-N 2 2 248.345 2.474 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000925781806 646478623 /nfs/dbraw/zinc/47/86/23/646478623.db2.gz GLQZYKBWOMLXCH-DFBGVHRSSA-N 2 2 230.355 2.335 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccoc1 ZINC000925782398 646478861 /nfs/dbraw/zinc/47/88/61/646478861.db2.gz LORQBJXWLKALIK-KOLCDFICSA-N 2 2 244.285 2.175 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccoc1 ZINC000925782402 646479727 /nfs/dbraw/zinc/47/97/27/646479727.db2.gz LORQBJXWLKALIK-ONGXEEELSA-N 2 2 244.285 2.175 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925929242 646544294 /nfs/dbraw/zinc/54/42/94/646544294.db2.gz LGMPFIHNDFYKRX-SBJFKYEJSA-N 2 2 234.387 2.271 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925929242 646544298 /nfs/dbraw/zinc/54/42/98/646544298.db2.gz LGMPFIHNDFYKRX-SBJFKYEJSA-N 2 2 234.387 2.271 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccns1 ZINC000926230542 646600478 /nfs/dbraw/zinc/60/04/78/646600478.db2.gz VCEPNKQNFCGGPY-UWVGGRQHSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450623 646642587 /nfs/dbraw/zinc/64/25/87/646642587.db2.gz PMYBQZSFWZYOTN-BBGACYKPSA-N 2 2 233.359 2.291 20 0 BEADLP FCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926462686 646649866 /nfs/dbraw/zinc/64/98/66/646649866.db2.gz BKMHJHRHGRNZIB-STQMWFEESA-N 2 2 228.355 2.343 20 0 BEADLP FCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926462686 646649870 /nfs/dbraw/zinc/64/98/70/646649870.db2.gz BKMHJHRHGRNZIB-STQMWFEESA-N 2 2 228.355 2.343 20 0 BEADLP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724679246 711607584 /nfs/dbraw/zinc/60/75/84/711607584.db2.gz QTUWBYLKGLXNHO-DGCLKSJQSA-N 2 2 237.347 2.074 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000718573132 711661162 /nfs/dbraw/zinc/66/11/62/711661162.db2.gz VOTAIFGBKGPDPK-JTQLQIEISA-N 2 2 220.307 2.235 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000718573132 711661165 /nfs/dbraw/zinc/66/11/65/711661165.db2.gz VOTAIFGBKGPDPK-JTQLQIEISA-N 2 2 220.307 2.235 20 0 BEADLP Cc1occc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000700442958 711993347 /nfs/dbraw/zinc/99/33/47/711993347.db2.gz NTITXWQUYRMHTM-SNVBAGLBSA-N 2 2 210.321 2.018 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000379780210 712398899 /nfs/dbraw/zinc/39/88/99/712398899.db2.gz BZXSKLAPOGMFBU-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@@H]2C[NH3+])OC1 ZINC000713588081 712466049 /nfs/dbraw/zinc/46/60/49/712466049.db2.gz SQSFRCMAPSODOH-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP CC1(C)CC[C@@H](C[N@H+]2CCCC[C@@H]2C[NH3+])OC1 ZINC000713588081 712466051 /nfs/dbraw/zinc/46/60/51/712466051.db2.gz SQSFRCMAPSODOH-OLZOCXBDSA-N 2 2 240.391 2.005 20 0 BEADLP C[N@H+](C[C@@H]1CCCC(C)(C)O1)C1(C[NH3+])CCC1 ZINC000714320784 712482415 /nfs/dbraw/zinc/48/24/15/712482415.db2.gz NYCUNPMCBDOWLP-LBPRGKRZSA-N 2 2 240.391 2.147 20 0 BEADLP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)C1(C[NH3+])CCC1 ZINC000714320784 712482416 /nfs/dbraw/zinc/48/24/16/712482416.db2.gz NYCUNPMCBDOWLP-LBPRGKRZSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccns1 ZINC000716046983 712548655 /nfs/dbraw/zinc/54/86/55/712548655.db2.gz IVXKOKFAVUGJFH-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccns1 ZINC000716046983 712548656 /nfs/dbraw/zinc/54/86/56/712548656.db2.gz IVXKOKFAVUGJFH-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037249137 712558599 /nfs/dbraw/zinc/55/85/99/712558599.db2.gz NGWYFWQLQVRJOR-LLVKDONJSA-N 2 2 222.332 2.333 20 0 BEADLP Cc1coc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000718053310 712739627 /nfs/dbraw/zinc/73/96/27/712739627.db2.gz PQOSWNUNWJJKSJ-LLVKDONJSA-N 2 2 210.321 2.018 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000718790380 712784216 /nfs/dbraw/zinc/78/42/16/712784216.db2.gz NRFXXUABDBONEW-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000718790380 712784218 /nfs/dbraw/zinc/78/42/18/712784218.db2.gz NRFXXUABDBONEW-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+]C1CCSCC1)[NH+]1CCCCC1 ZINC000038028887 712800079 /nfs/dbraw/zinc/80/00/79/712800079.db2.gz TYTFINKEKNNJPR-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CC1)[NH+]1CCCCC1 ZINC000038028527 712800094 /nfs/dbraw/zinc/80/00/94/712800094.db2.gz LLNYFFJOIKVFCV-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@H](C)C[N@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720900311 712874852 /nfs/dbraw/zinc/87/48/52/712874852.db2.gz WGAIUIBNMLCZRQ-IVZWLZJFSA-N 2 2 238.297 2.244 20 0 BEADLP CCC[C@H](C)C[N@@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720900311 712874853 /nfs/dbraw/zinc/87/48/53/712874853.db2.gz WGAIUIBNMLCZRQ-IVZWLZJFSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000381255905 710613729 /nfs/dbraw/zinc/61/37/29/710613729.db2.gz QUJTWAJLSVCUJM-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000381255905 710613733 /nfs/dbraw/zinc/61/37/33/710613733.db2.gz QUJTWAJLSVCUJM-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000380719477 712902813 /nfs/dbraw/zinc/90/28/13/712902813.db2.gz OGUWPZDWNNPMRO-HBNTYKKESA-N 2 2 232.318 2.233 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000380719477 712902814 /nfs/dbraw/zinc/90/28/14/712902814.db2.gz OGUWPZDWNNPMRO-HBNTYKKESA-N 2 2 232.318 2.233 20 0 BEADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C ZINC000389561116 711079931 /nfs/dbraw/zinc/07/99/31/711079931.db2.gz BMKSNIBWMMEFBX-NSHDSACASA-N 2 2 207.321 2.101 20 0 BEADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C ZINC000389561116 711079935 /nfs/dbraw/zinc/07/99/35/711079935.db2.gz BMKSNIBWMMEFBX-NSHDSACASA-N 2 2 207.321 2.101 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000390418198 711116443 /nfs/dbraw/zinc/11/64/43/711116443.db2.gz IIUSQBWBSIUSMO-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000390418198 711116445 /nfs/dbraw/zinc/11/64/45/711116445.db2.gz IIUSQBWBSIUSMO-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000395380226 711209428 /nfs/dbraw/zinc/20/94/28/711209428.db2.gz CCFOVXWOMMXCCF-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000395380227 711210642 /nfs/dbraw/zinc/21/06/42/711210642.db2.gz CCFOVXWOMMXCCF-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396567803 711354895 /nfs/dbraw/zinc/35/48/95/711354895.db2.gz WLGMVDJZOVRJFG-SWLSCSKDSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000394245642 711188402 /nfs/dbraw/zinc/18/84/02/711188402.db2.gz WFUBZHLXZLQPFR-GFJIZPEISA-N 2 2 233.359 2.440 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396645286 711363591 /nfs/dbraw/zinc/36/35/91/711363591.db2.gz BZANCNPZBDXXJZ-ZYHUDNBSSA-N 2 2 224.373 2.287 20 0 BEADLP COCc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396709481 711366507 /nfs/dbraw/zinc/36/65/07/711366507.db2.gz QEYIUEZSEAFCRP-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000050249343 711493580 /nfs/dbraw/zinc/49/35/80/711493580.db2.gz QJOHEQDVRADLCT-JTQLQIEISA-N 2 2 247.367 2.077 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000050249343 711493583 /nfs/dbraw/zinc/49/35/83/711493583.db2.gz QJOHEQDVRADLCT-JTQLQIEISA-N 2 2 247.367 2.077 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000723641677 711529601 /nfs/dbraw/zinc/52/96/01/711529601.db2.gz MZUVGUOOMMBSQK-GFCCVEGCSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1nc(C)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000723641677 711529602 /nfs/dbraw/zinc/52/96/02/711529602.db2.gz MZUVGUOOMMBSQK-GFCCVEGCSA-N 2 2 239.363 2.097 20 0 BEADLP CCC[C@@H]1C[NH2+]CCN1Cc1cc(C)cc(C)[nH+]1 ZINC000723646576 711529793 /nfs/dbraw/zinc/52/97/93/711529793.db2.gz LFWUPCGBTMEULX-OAHLLOKOSA-N 2 2 247.386 2.272 20 0 BEADLP Cc1cc(C)[nH+]c(CN2[C@H](C)C[NH2+][C@H](C)[C@H]2C)c1 ZINC000723879716 711541787 /nfs/dbraw/zinc/54/17/87/711541787.db2.gz QSXGUCGUPAFNBC-MGPQQGTHSA-N 2 2 247.386 2.269 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000177838624 711672382 /nfs/dbraw/zinc/67/23/82/711672382.db2.gz RBEMUYUFAXJCER-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000177838624 711672383 /nfs/dbraw/zinc/67/23/83/711672383.db2.gz RBEMUYUFAXJCER-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177838624 711672380 /nfs/dbraw/zinc/67/23/80/711672380.db2.gz RBEMUYUFAXJCER-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC000177838624 711672381 /nfs/dbraw/zinc/67/23/81/711672381.db2.gz RBEMUYUFAXJCER-MALLOTDXSA-N 2 2 216.756 2.013 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C1CC1 ZINC000309406048 711697429 /nfs/dbraw/zinc/69/74/29/711697429.db2.gz IADABOFZTIUFDJ-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C1CC1 ZINC000309406048 711697430 /nfs/dbraw/zinc/69/74/30/711697430.db2.gz IADABOFZTIUFDJ-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCSC1)[NH+]1CCCCC1 ZINC000224393125 711826778 /nfs/dbraw/zinc/82/67/78/711826778.db2.gz DOMQEAMHFPVLKD-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)Oc1ccccc1 ZINC000700321058 711989958 /nfs/dbraw/zinc/98/99/58/711989958.db2.gz VUSDHCDTBHJGRY-IPYPFGDCSA-N 2 2 248.370 2.184 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1F ZINC000703603148 712082199 /nfs/dbraw/zinc/08/21/99/712082199.db2.gz QIBKARSMMMALRT-DZGCQCFKSA-N 2 2 248.345 2.175 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1F ZINC000703603148 712082202 /nfs/dbraw/zinc/08/22/02/712082202.db2.gz QIBKARSMMMALRT-DZGCQCFKSA-N 2 2 248.345 2.175 20 0 BEADLP CSC1CC([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000706929062 712161938 /nfs/dbraw/zinc/16/19/38/712161938.db2.gz SAQADTWTVKDMGA-PNESKVBLSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@]1(C(F)(F)F)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000709637721 712226309 /nfs/dbraw/zinc/22/63/09/712226309.db2.gz KPXYEPNVADPXIF-HSOILSAZSA-N 2 2 248.292 2.013 20 0 BEADLP C[C@@]1(C(F)(F)F)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000709637721 712226310 /nfs/dbraw/zinc/22/63/10/712226310.db2.gz KPXYEPNVADPXIF-HSOILSAZSA-N 2 2 248.292 2.013 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378922787 712367624 /nfs/dbraw/zinc/36/76/24/712367624.db2.gz QDGFRCIEMGHVEV-RNJOBUHISA-N 2 2 219.332 2.050 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC(F)F)c1 ZINC000379758019 712397796 /nfs/dbraw/zinc/39/77/96/712397796.db2.gz ZZPTXYBHEUXABK-LBPRGKRZSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC(F)F)c1 ZINC000379758019 712397797 /nfs/dbraw/zinc/39/77/97/712397797.db2.gz ZZPTXYBHEUXABK-LBPRGKRZSA-N 2 2 242.313 2.409 20 0 BEADLP Cc1cncc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713170162 712453380 /nfs/dbraw/zinc/45/33/80/712453380.db2.gz UKBCAXXQQHOOQX-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cncc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713170162 712453381 /nfs/dbraw/zinc/45/33/81/712453381.db2.gz UKBCAXXQQHOOQX-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP C[N@H+](C/C=C/Cl)C1(C[NH3+])CCCCC1 ZINC000713344816 712458476 /nfs/dbraw/zinc/45/84/76/712458476.db2.gz QHUDEQOLLNYBAZ-VMPITWQZSA-N 2 2 216.756 2.332 20 0 BEADLP C[N@@H+](C/C=C/Cl)C1(C[NH3+])CCCCC1 ZINC000713344816 712458477 /nfs/dbraw/zinc/45/84/77/712458477.db2.gz QHUDEQOLLNYBAZ-VMPITWQZSA-N 2 2 216.756 2.332 20 0 BEADLP Cc1coc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000718025066 712736363 /nfs/dbraw/zinc/73/63/63/712736363.db2.gz AFADHVIVRUJIPS-CYBMUJFWSA-N 2 2 236.359 2.408 20 0 BEADLP Cc1coc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000718025066 712736365 /nfs/dbraw/zinc/73/63/65/712736365.db2.gz AFADHVIVRUJIPS-CYBMUJFWSA-N 2 2 236.359 2.408 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000718025069 712736696 /nfs/dbraw/zinc/73/66/96/712736696.db2.gz AFADHVIVRUJIPS-ZDUSSCGKSA-N 2 2 236.359 2.408 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000718025069 712736700 /nfs/dbraw/zinc/73/67/00/712736700.db2.gz AFADHVIVRUJIPS-ZDUSSCGKSA-N 2 2 236.359 2.408 20 0 BEADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718051947 712739321 /nfs/dbraw/zinc/73/93/21/712739321.db2.gz KGOBQXNZIRZJNM-CYBMUJFWSA-N 2 2 236.359 2.410 20 0 BEADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718051947 712739324 /nfs/dbraw/zinc/73/93/24/712739324.db2.gz KGOBQXNZIRZJNM-CYBMUJFWSA-N 2 2 236.359 2.410 20 0 BEADLP Cc1coc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000718131055 712747001 /nfs/dbraw/zinc/74/70/01/712747001.db2.gz KHVPIRLRVUIBHA-UHFFFAOYSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Br)s1 ZINC000038003349 712798476 /nfs/dbraw/zinc/79/84/76/712798476.db2.gz DTNJYSIPXOYPMP-LURJTMIESA-N 2 2 249.177 2.120 20 0 BEADLP C[C@H]1[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000719574625 712811945 /nfs/dbraw/zinc/81/19/45/712811945.db2.gz ZCHWFOLFFINSCM-VHSXEESVSA-N 2 2 230.315 2.067 20 0 BEADLP C[C@H]1[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000719574625 712811947 /nfs/dbraw/zinc/81/19/47/712811947.db2.gz ZCHWFOLFFINSCM-VHSXEESVSA-N 2 2 230.315 2.067 20 0 BEADLP Cc1ccsc1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720748989 712863900 /nfs/dbraw/zinc/86/39/00/712863900.db2.gz SMSSYSWIQCZUFS-LLVKDONJSA-N 2 2 224.373 2.226 20 0 BEADLP Cc1ccsc1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720748989 712863902 /nfs/dbraw/zinc/86/39/02/712863902.db2.gz SMSSYSWIQCZUFS-LLVKDONJSA-N 2 2 224.373 2.226 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000721166065 712893445 /nfs/dbraw/zinc/89/34/45/712893445.db2.gz GAUDSIQNPAUVHC-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000721169301 712894321 /nfs/dbraw/zinc/89/43/21/712894321.db2.gz UDUWSXFOJBPRPT-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@](C)(F)[C@@H](F)C2)C1 ZINC001208609111 957096466 /nfs/dbraw/zinc/09/64/66/957096466.db2.gz YDDFORKMBDPBSR-AVGNSLFASA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)C1 ZINC001208609111 957096477 /nfs/dbraw/zinc/09/64/77/957096477.db2.gz YDDFORKMBDPBSR-AVGNSLFASA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)C1 ZINC001208609111 957096492 /nfs/dbraw/zinc/09/64/92/957096492.db2.gz YDDFORKMBDPBSR-AVGNSLFASA-N 2 2 246.345 2.100 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@](C)(F)[C@@H](F)C2)C1 ZINC001208609111 957096444 /nfs/dbraw/zinc/09/64/44/957096444.db2.gz YDDFORKMBDPBSR-AVGNSLFASA-N 2 2 246.345 2.100 20 0 BEADLP Cc1c[nH+]c(N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001165034938 721897104 /nfs/dbraw/zinc/89/71/04/721897104.db2.gz ITIJMDSGHLNKAI-ZDUSSCGKSA-N 2 2 233.359 2.229 20 0 BEADLP Cc1c[nH+]c(N[C@@H](C)C[NH+](C)C)cc1C ZINC001155921500 963205250 /nfs/dbraw/zinc/20/52/50/963205250.db2.gz MICOGZIGMBOKFE-NSHDSACASA-N 2 2 207.321 2.060 20 0 BEADLP C[C@H](C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+])C(F)(F)F ZINC001205807256 967829134 /nfs/dbraw/zinc/82/91/34/967829134.db2.gz ZHRGHUAGFCTNRX-BBBLOLIVSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@H](C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+])C(F)(F)F ZINC001205807256 967829143 /nfs/dbraw/zinc/82/91/43/967829143.db2.gz ZHRGHUAGFCTNRX-BBBLOLIVSA-N 2 2 238.297 2.244 20 0 BEADLP CC1(C[NH3+])C[NH+](CCCc2ccccc2F)C1 ZINC001206711622 968438346 /nfs/dbraw/zinc/43/83/46/968438346.db2.gz LVRYSMQSMMPNFH-UHFFFAOYSA-N 2 2 236.334 2.039 20 0 BEADLP C[N@H+]1CCC2(C[NH+](CCC3CCCC3)C2)C1 ZINC001276513210 968680234 /nfs/dbraw/zinc/68/02/34/968680234.db2.gz IGHRMDPOUVFYDI-UHFFFAOYSA-N 2 2 222.376 2.204 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCc1ccc(Cl)cc1 ZINC000308500120 1166095832 /nfs/dbraw/zinc/09/58/32/1166095832.db2.gz VUBBWWIFBRBAKM-ZWNOBZJWSA-N 2 2 238.762 2.304 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCc1ccc(Cl)cc1 ZINC000308500120 1166095838 /nfs/dbraw/zinc/09/58/38/1166095838.db2.gz VUBBWWIFBRBAKM-ZWNOBZJWSA-N 2 2 238.762 2.304 20 0 BEADLP C[NH+]1CCC(C[N@@H+]2CCCC(F)(F)C2)CC1 ZINC001207392028 968747948 /nfs/dbraw/zinc/74/79/48/968747948.db2.gz UBCZYTYLPLLLPH-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP C[NH+]1CCC(C[N@H+]2CCCC(F)(F)C2)CC1 ZINC001207392028 968747956 /nfs/dbraw/zinc/74/79/56/968747956.db2.gz UBCZYTYLPLLLPH-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP CC[NH+]1CCC(C[NH+]2CC(F)(C3CC3)C2)CC1 ZINC001208592896 969146084 /nfs/dbraw/zinc/14/60/84/969146084.db2.gz LYMCCTQXKYSVAO-UHFFFAOYSA-N 2 2 240.366 2.152 20 0 BEADLP Cc1ccc(C)c(NC2=CC[N@H+](C)CC2)[nH+]1 ZINC001208742220 969233398 /nfs/dbraw/zinc/23/33/98/969233398.db2.gz SZODKXUFUNUFMK-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP CC[N@H+](CCC(C)(C)OC)C1CC[NH+](C)CC1 ZINC001209407382 969470605 /nfs/dbraw/zinc/47/06/05/969470605.db2.gz CGTMJPUOLXTDAS-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP CC[N@@H+](CCC(C)(C)OC)C1CC[NH+](C)CC1 ZINC001209407382 969470615 /nfs/dbraw/zinc/47/06/15/969470615.db2.gz CGTMJPUOLXTDAS-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001169247079 969532905 /nfs/dbraw/zinc/53/29/05/969532905.db2.gz YPDNTSNQXZNMSY-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP CC[NH+]1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001169247079 969532910 /nfs/dbraw/zinc/53/29/10/969532910.db2.gz YPDNTSNQXZNMSY-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cs1 ZINC000309035052 1166470458 /nfs/dbraw/zinc/47/04/58/1166470458.db2.gz FKSWZTRUDYENAO-GFCCVEGCSA-N 2 2 224.373 2.226 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cs1 ZINC000309035052 1166470459 /nfs/dbraw/zinc/47/04/59/1166470459.db2.gz FKSWZTRUDYENAO-GFCCVEGCSA-N 2 2 224.373 2.226 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC000405848941 1166889340 /nfs/dbraw/zinc/88/93/40/1166889340.db2.gz WNBOKJSNWYEFIM-IUODEOHRSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405848941 1166889343 /nfs/dbraw/zinc/88/93/43/1166889343.db2.gz WNBOKJSNWYEFIM-IUODEOHRSA-N 2 2 248.370 2.049 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202728 970705124 /nfs/dbraw/zinc/70/51/24/970705124.db2.gz LHRVUXGEPNYNKA-SNVBAGLBSA-N 2 2 232.318 2.058 20 0 BEADLP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202728 970705132 /nfs/dbraw/zinc/70/51/32/970705132.db2.gz LHRVUXGEPNYNKA-SNVBAGLBSA-N 2 2 232.318 2.058 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC001256205339 970707299 /nfs/dbraw/zinc/70/72/99/970707299.db2.gz XXIWMIVHZQMCLB-UHFFFAOYSA-N 2 2 236.384 2.200 20 0 BEADLP C[NH+]1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC001256205339 970707308 /nfs/dbraw/zinc/70/73/08/970707308.db2.gz XXIWMIVHZQMCLB-UHFFFAOYSA-N 2 2 236.384 2.200 20 0 BEADLP CCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001173285630 975244178 /nfs/dbraw/zinc/24/41/78/975244178.db2.gz YYSSJAWQGMOTKV-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001173285630 975244189 /nfs/dbraw/zinc/24/41/89/975244189.db2.gz YYSSJAWQGMOTKV-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP COc1ccc([C@H](C)[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000251701519 1167455259 /nfs/dbraw/zinc/45/52/59/1167455259.db2.gz NTPVAIZWPBJVSG-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@H](C)[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000251701519 1167455266 /nfs/dbraw/zinc/45/52/66/1167455266.db2.gz NTPVAIZWPBJVSG-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP C[NH+](C)CC[C@@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001224130532 1167525721 /nfs/dbraw/zinc/52/57/21/1167525721.db2.gz JZPSWGSUNBSZOH-OAHLLOKOSA-N 2 2 248.370 2.010 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252122807 1167670752 /nfs/dbraw/zinc/67/07/52/1167670752.db2.gz LARDGXAFVUTWGQ-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CC3)CC2)c[nH+]1 ZINC001232461186 978093270 /nfs/dbraw/zinc/09/32/70/978093270.db2.gz YKHNABOYJKGIHN-UHFFFAOYSA-N 2 2 205.305 2.094 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2C)C[C@@H](C)C1 ZINC000252167187 1167742743 /nfs/dbraw/zinc/74/27/43/1167742743.db2.gz QPPSZTWREXUDQH-ITGUQSILSA-N 2 2 235.375 2.377 20 0 BEADLP c1cc2c(cccc2C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)[nH]1 ZINC001235072391 1167779365 /nfs/dbraw/zinc/77/93/65/1167779365.db2.gz IFTJTOHNTFSOCU-HUUCEWRRSA-N 2 2 241.338 2.104 20 0 BEADLP c1cc2c(cccc2C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)[nH]1 ZINC001235072391 1167779373 /nfs/dbraw/zinc/77/93/73/1167779373.db2.gz IFTJTOHNTFSOCU-HUUCEWRRSA-N 2 2 241.338 2.104 20 0 BEADLP CC(C)(C)C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336679 978600656 /nfs/dbraw/zinc/60/06/56/978600656.db2.gz NASFKEJKJUSGHJ-GFCCVEGCSA-N 2 2 216.344 2.185 20 0 BEADLP CC(C)(C)C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336679 978600662 /nfs/dbraw/zinc/60/06/62/978600662.db2.gz NASFKEJKJUSGHJ-GFCCVEGCSA-N 2 2 216.344 2.185 20 0 BEADLP CCc1cccc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235948433 979223372 /nfs/dbraw/zinc/22/33/72/979223372.db2.gz VUWBBKXIBUHIPF-UHFFFAOYSA-N 2 2 220.360 2.418 20 0 BEADLP CCc1cccc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235948433 979223390 /nfs/dbraw/zinc/22/33/90/979223390.db2.gz VUWBBKXIBUHIPF-UHFFFAOYSA-N 2 2 220.360 2.418 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201504729 983271762 /nfs/dbraw/zinc/27/17/62/983271762.db2.gz YVGPTASBDWUORK-SNVBAGLBSA-N 2 2 207.321 2.053 20 0 BEADLP CC[C@@H](C)C[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201504729 983271772 /nfs/dbraw/zinc/27/17/72/983271772.db2.gz YVGPTASBDWUORK-SNVBAGLBSA-N 2 2 207.321 2.053 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](CCC(C)C)C2 ZINC001201615670 983379727 /nfs/dbraw/zinc/37/97/27/983379727.db2.gz XTBVFMVTHQUHPQ-UHFFFAOYSA-N 2 2 207.321 2.053 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](CCC(C)C)C2 ZINC001201615670 983379735 /nfs/dbraw/zinc/37/97/35/983379735.db2.gz XTBVFMVTHQUHPQ-UHFFFAOYSA-N 2 2 207.321 2.053 20 0 BEADLP CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201651989 983405642 /nfs/dbraw/zinc/40/56/42/983405642.db2.gz CVOWWHOLTVZUPC-GFCCVEGCSA-N 2 2 220.316 2.253 20 0 BEADLP CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201651989 983405650 /nfs/dbraw/zinc/40/56/50/983405650.db2.gz CVOWWHOLTVZUPC-GFCCVEGCSA-N 2 2 220.316 2.253 20 0 BEADLP CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201651990 983405843 /nfs/dbraw/zinc/40/58/43/983405843.db2.gz CVOWWHOLTVZUPC-LBPRGKRZSA-N 2 2 220.316 2.253 20 0 BEADLP CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201651990 983405845 /nfs/dbraw/zinc/40/58/45/983405845.db2.gz CVOWWHOLTVZUPC-LBPRGKRZSA-N 2 2 220.316 2.253 20 0 BEADLP CCCCC[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201727019 983433987 /nfs/dbraw/zinc/43/39/87/983433987.db2.gz LGOKOUOJBIXVCY-UHFFFAOYSA-N 2 2 207.321 2.197 20 0 BEADLP CCCCC[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201727019 983433991 /nfs/dbraw/zinc/43/39/91/983433991.db2.gz LGOKOUOJBIXVCY-UHFFFAOYSA-N 2 2 207.321 2.197 20 0 BEADLP CCOCC[C@@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001172426902 974702778 /nfs/dbraw/zinc/70/27/78/974702778.db2.gz JKIYZZOWGLUDTL-CYBMUJFWSA-N 2 2 239.363 2.020 20 0 BEADLP CCOCC[C@@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001172426902 974702782 /nfs/dbraw/zinc/70/27/82/974702782.db2.gz JKIYZZOWGLUDTL-CYBMUJFWSA-N 2 2 239.363 2.020 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256201695 1169280825 /nfs/dbraw/zinc/28/08/25/1169280825.db2.gz KZRHINMURRVZRS-HNNXBMFYSA-N 2 2 245.370 2.313 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256201695 1169280832 /nfs/dbraw/zinc/28/08/32/1169280832.db2.gz KZRHINMURRVZRS-HNNXBMFYSA-N 2 2 245.370 2.313 20 0 BEADLP Cc1[nH+]cn([C@@H](C)CCOC(C)C)c1CC[NH3+] ZINC001172437496 974793418 /nfs/dbraw/zinc/79/34/18/974793418.db2.gz HTZHWUHTFMODTO-NSHDSACASA-N 2 2 239.363 2.069 20 0 BEADLP CC(C)Oc1cc(NCC(C)(C)[NH3+])cc[nH+]1 ZINC001171196582 972856508 /nfs/dbraw/zinc/85/65/08/972856508.db2.gz YCLWCKDCJDCAHG-UHFFFAOYSA-N 2 2 223.320 2.018 20 0 BEADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246919079 973484211 /nfs/dbraw/zinc/48/42/11/973484211.db2.gz MHEMWKRADBBHMH-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246919079 973484218 /nfs/dbraw/zinc/48/42/18/973484218.db2.gz MHEMWKRADBBHMH-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCCCC[C@H](C)[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246926275 973553194 /nfs/dbraw/zinc/55/31/94/973553194.db2.gz CJSGMODFXMCPSY-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@H](C)[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246926275 973553207 /nfs/dbraw/zinc/55/32/07/973553207.db2.gz CJSGMODFXMCPSY-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP Nc1[nH+]cccc1-c1ccccc1C1([NH3+])CC1 ZINC001243477954 970771455 /nfs/dbraw/zinc/77/14/55/970771455.db2.gz UHYIOFYRQVTSHF-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256730705 970950799 /nfs/dbraw/zinc/95/07/99/970950799.db2.gz HLMSKIZOZQUPAA-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256730705 970950810 /nfs/dbraw/zinc/95/08/10/970950810.db2.gz HLMSKIZOZQUPAA-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccncc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256734567 970954742 /nfs/dbraw/zinc/95/47/42/970954742.db2.gz ZDSJNEOOAKPRKN-CYBMUJFWSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@H](Cc1ccncc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256734567 970954750 /nfs/dbraw/zinc/95/47/50/970954750.db2.gz ZDSJNEOOAKPRKN-CYBMUJFWSA-N 2 2 247.386 2.039 20 0 BEADLP C(=C/C1CC[NH2+]CC1)\c1cccn2cc[nH+]c12 ZINC001243891737 971006662 /nfs/dbraw/zinc/00/66/62/971006662.db2.gz AFFKAPLFCVHKSV-ONEGZZNKSA-N 2 2 227.311 2.347 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257070893 971085183 /nfs/dbraw/zinc/08/51/83/971085183.db2.gz RBVZRNSDDVFQJT-OBJOEFQTSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257070893 971085190 /nfs/dbraw/zinc/08/51/90/971085190.db2.gz RBVZRNSDDVFQJT-OBJOEFQTSA-N 2 2 240.391 2.016 20 0 BEADLP CCC(CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257303965 971190956 /nfs/dbraw/zinc/19/09/56/971190956.db2.gz WAPTUQXMKHOENY-DGCLKSJQSA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257303965 971190961 /nfs/dbraw/zinc/19/09/61/971190961.db2.gz WAPTUQXMKHOENY-DGCLKSJQSA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257303965 971190964 /nfs/dbraw/zinc/19/09/64/971190964.db2.gz WAPTUQXMKHOENY-DGCLKSJQSA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257303965 971190965 /nfs/dbraw/zinc/19/09/65/971190965.db2.gz WAPTUQXMKHOENY-DGCLKSJQSA-N 2 2 210.365 2.201 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257311882 971206035 /nfs/dbraw/zinc/20/60/35/971206035.db2.gz QPMVPFHUQLOFJK-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257311882 971206048 /nfs/dbraw/zinc/20/60/48/971206048.db2.gz QPMVPFHUQLOFJK-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCCCCC[C@H](CC)[NH2+]C1(C[NH3+])COC1 ZINC001170578505 971244405 /nfs/dbraw/zinc/24/44/05/971244405.db2.gz JJYAEGSLALDTMN-LBPRGKRZSA-N 2 2 228.380 2.053 20 0 BEADLP c1cn(C2CCCC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001257355636 971271783 /nfs/dbraw/zinc/27/17/83/971271783.db2.gz CWOPUQJNBUHBDJ-LLVKDONJSA-N 2 2 219.332 2.465 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1C ZINC000405779136 971308692 /nfs/dbraw/zinc/30/86/92/971308692.db2.gz DNDJWZLMPJTVTI-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1C ZINC000405779136 971308704 /nfs/dbraw/zinc/30/87/04/971308704.db2.gz DNDJWZLMPJTVTI-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000405868449 971314842 /nfs/dbraw/zinc/31/48/42/971314842.db2.gz HASCWRQHANHTNF-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000405868449 971314848 /nfs/dbraw/zinc/31/48/48/971314848.db2.gz HASCWRQHANHTNF-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP CCOC(=[NH2+])CCCCO[C@@H]1CCC[N@H+](C)C1 ZINC001224963005 974104535 /nfs/dbraw/zinc/10/45/35/974104535.db2.gz DXIQXTSASISDKS-GFCCVEGCSA-N 2 2 242.363 2.281 20 0 BEADLP CCOC(=[NH2+])CCCCO[C@@H]1CCC[N@@H+](C)C1 ZINC001224963005 974104551 /nfs/dbraw/zinc/10/45/51/974104551.db2.gz DXIQXTSASISDKS-GFCCVEGCSA-N 2 2 242.363 2.281 20 0 BEADLP CC1(C)[C@@H]2C[C@@H]([NH2+]CCOc3cc[nH+]cc3)C[C@@H]21 ZINC001170738068 971686490 /nfs/dbraw/zinc/68/64/90/971686490.db2.gz DZDDLOWEJRMJLP-DEZZGGKRSA-N 2 2 246.354 2.485 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765686 971756603 /nfs/dbraw/zinc/75/66/03/971756603.db2.gz WHXFMCVTFZDUCA-ARILJUKYSA-N 2 2 248.414 2.447 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765686 971756609 /nfs/dbraw/zinc/75/66/09/971756609.db2.gz WHXFMCVTFZDUCA-ARILJUKYSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765686 971756618 /nfs/dbraw/zinc/75/66/18/971756618.db2.gz WHXFMCVTFZDUCA-ARILJUKYSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765686 971756621 /nfs/dbraw/zinc/75/66/21/971756621.db2.gz WHXFMCVTFZDUCA-ARILJUKYSA-N 2 2 248.414 2.447 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765687 971758345 /nfs/dbraw/zinc/75/83/45/971758345.db2.gz WHXFMCVTFZDUCA-QMIVOQANSA-N 2 2 248.414 2.447 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765687 971758349 /nfs/dbraw/zinc/75/83/49/971758349.db2.gz WHXFMCVTFZDUCA-QMIVOQANSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765687 971758352 /nfs/dbraw/zinc/75/83/52/971758352.db2.gz WHXFMCVTFZDUCA-QMIVOQANSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]21 ZINC001170765687 971758365 /nfs/dbraw/zinc/75/83/65/971758365.db2.gz WHXFMCVTFZDUCA-QMIVOQANSA-N 2 2 248.414 2.447 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001172317752 974525708 /nfs/dbraw/zinc/52/57/08/974525708.db2.gz UDGLVUFWAQXCOS-STQMWFEESA-N 2 2 239.363 2.066 20 0 BEADLP c1cn([C@H]2CCCOCC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001170832296 971940953 /nfs/dbraw/zinc/94/09/53/971940953.db2.gz WYFKINRRXIIKMV-STQMWFEESA-N 2 2 249.358 2.092 20 0 BEADLP c1cn([C@H]2CCCOCC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001170832292 971942003 /nfs/dbraw/zinc/94/20/03/971942003.db2.gz WYFKINRRXIIKMV-OLZOCXBDSA-N 2 2 249.358 2.092 20 0 BEADLP CC[C@@]([NH3+])(CO)Nc1ccc2c(C)cc[nH+]c2c1 ZINC001170864076 971998316 /nfs/dbraw/zinc/99/83/16/971998316.db2.gz RBYSBZRNCDDSGQ-AWEZNQCLSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])C[C@H]1C ZINC001172357292 974627671 /nfs/dbraw/zinc/62/76/71/974627671.db2.gz BRLKYEZANFDBPM-UTUOFQBUSA-N 2 2 221.348 2.382 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246080305 972134989 /nfs/dbraw/zinc/13/49/89/972134989.db2.gz FCPMSEAPHQIJAC-SRVKXCTJSA-N 2 2 216.344 2.101 20 0 BEADLP c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CS2 ZINC001246186895 972213037 /nfs/dbraw/zinc/21/30/37/972213037.db2.gz ILGUJKBVCOKPBO-CHWSQXEVSA-N 2 2 248.395 2.045 20 0 BEADLP c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CS2 ZINC001246186901 972213050 /nfs/dbraw/zinc/21/30/50/972213050.db2.gz ILGUJKBVCOKPBO-OLZOCXBDSA-N 2 2 248.395 2.045 20 0 BEADLP Cc1[nH+]cc(Nc2c[nH+]c(C)cc2C)n1C ZINC001213510749 957065483 /nfs/dbraw/zinc/06/54/83/957065483.db2.gz IRVOFDVUGLKKPS-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP CC(C)c1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)on1 ZINC001246238897 972243842 /nfs/dbraw/zinc/24/38/42/972243842.db2.gz QRAAUWDTPUSCSA-MNOVXSKESA-N 2 2 237.347 2.028 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246248528 972249977 /nfs/dbraw/zinc/24/99/77/972249977.db2.gz YNOYVXDSTGRKTR-DGCLKSJQSA-N 2 2 243.354 2.398 20 0 BEADLP CCCCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246288651 972260397 /nfs/dbraw/zinc/26/03/97/972260397.db2.gz BPWOSZXEFHUYBV-IHRRRGAJSA-N 2 2 242.407 2.312 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCOCC ZINC001172407321 974665101 /nfs/dbraw/zinc/66/51/01/974665101.db2.gz AGBMDMVOXVLOCX-CYBMUJFWSA-N 2 2 230.396 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCOCC ZINC001172407321 974665105 /nfs/dbraw/zinc/66/51/05/974665105.db2.gz AGBMDMVOXVLOCX-CYBMUJFWSA-N 2 2 230.396 2.123 20 0 BEADLP Cc1c[nH+]c(Nc2c[nH+]cn2C)c(C)c1 ZINC001211246543 958108544 /nfs/dbraw/zinc/10/85/44/958108544.db2.gz DBRXFQMFQPSGPQ-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP COc1c[nH+]ccc1-n1c(N)[nH+]c2ccccc21 ZINC001211257505 958119192 /nfs/dbraw/zinc/11/91/92/958119192.db2.gz ODNRWIOCRUCPKO-UHFFFAOYSA-N 2 2 240.266 2.011 20 0 BEADLP CCCC[C@H](CC)C[NH+]1CC2(C[NH2+]C2)C1 ZINC000707978215 958884719 /nfs/dbraw/zinc/88/47/19/958884719.db2.gz OBCPGYINYFYBBM-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP Cc1cc[nH+]c(NCc2cc[nH+]c(N)c2)c1C ZINC001167613071 959062321 /nfs/dbraw/zinc/06/23/21/959062321.db2.gz HIUGVFBGJVYWIX-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP CCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222190313 972402693 /nfs/dbraw/zinc/40/26/93/972402693.db2.gz AIDGXEPHVUECPM-ZDUSSCGKSA-N 2 2 210.365 2.395 20 0 BEADLP CCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222190313 972402698 /nfs/dbraw/zinc/40/26/98/972402698.db2.gz AIDGXEPHVUECPM-ZDUSSCGKSA-N 2 2 210.365 2.395 20 0 BEADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000300332715 959177183 /nfs/dbraw/zinc/17/71/83/959177183.db2.gz HQYGAKZJMXAIFY-MFKMUULPSA-N 2 2 238.762 2.304 20 0 BEADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000300332715 959177196 /nfs/dbraw/zinc/17/71/96/959177196.db2.gz HQYGAKZJMXAIFY-MFKMUULPSA-N 2 2 238.762 2.304 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000309445431 959256910 /nfs/dbraw/zinc/25/69/10/959256910.db2.gz PKFIUKSFGFZDQL-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000309445431 959256923 /nfs/dbraw/zinc/25/69/23/959256923.db2.gz PKFIUKSFGFZDQL-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237874 972421260 /nfs/dbraw/zinc/42/12/60/972421260.db2.gz VZRPFFVKEYJGQH-HNNXBMFYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cnccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237874 972421270 /nfs/dbraw/zinc/42/12/70/972421270.db2.gz VZRPFFVKEYJGQH-HNNXBMFYSA-N 2 2 245.370 2.108 20 0 BEADLP CCCO[C@@H]1CC[N@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC000724777827 959442609 /nfs/dbraw/zinc/44/26/09/959442609.db2.gz IZBZYRYJZXHIDD-GFCCVEGCSA-N 2 2 237.347 2.027 20 0 BEADLP CCCO[C@@H]1CC[N@@H+](Cc2[nH]c(C)[nH+]c2C)C1 ZINC000724777827 959442622 /nfs/dbraw/zinc/44/26/22/959442622.db2.gz IZBZYRYJZXHIDD-GFCCVEGCSA-N 2 2 237.347 2.027 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246530672 972436222 /nfs/dbraw/zinc/43/62/22/972436222.db2.gz NXLXFAOVIFAQPH-DOMZBBRYSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246530672 972436227 /nfs/dbraw/zinc/43/62/27/972436227.db2.gz NXLXFAOVIFAQPH-DOMZBBRYSA-N 2 2 248.345 2.106 20 0 BEADLP CCc1cccc(C)c1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379741 972450006 /nfs/dbraw/zinc/45/00/06/972450006.db2.gz JMIVTVFFMLREQY-UHFFFAOYSA-N 2 2 244.382 2.353 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801083 959886782 /nfs/dbraw/zinc/88/67/82/959886782.db2.gz BEMWOZGBKUFXHD-KOLCDFICSA-N 2 2 233.290 2.495 20 0 BEADLP C[C@@H]1C[C@H](F)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801083 959886788 /nfs/dbraw/zinc/88/67/88/959886788.db2.gz BEMWOZGBKUFXHD-KOLCDFICSA-N 2 2 233.290 2.495 20 0 BEADLP C[NH2+]CCNc1cccc(N2CCCC[C@@H]2C)[nH+]1 ZINC001167723384 960225005 /nfs/dbraw/zinc/22/50/05/960225005.db2.gz RMBBZQXLTXIADZ-LBPRGKRZSA-N 2 2 248.374 2.092 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1(Cl)CC1 ZINC000695656816 960330608 /nfs/dbraw/zinc/33/06/08/960330608.db2.gz FOHUTTOCTQDLMD-SNVBAGLBSA-N 2 2 227.739 2.023 20 0 BEADLP CC(C)=CCC[C@H](C)C[NH+]1CC2(C[NH2+]C2)C1 ZINC001222461628 972501642 /nfs/dbraw/zinc/50/16/42/972501642.db2.gz WWADZVLHDQQEFX-ZDUSSCGKSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@H]1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)O1 ZINC001140799385 960578270 /nfs/dbraw/zinc/57/82/70/960578270.db2.gz BNWNOGQAUYKBFQ-QWRGUYRKSA-N 2 2 245.326 2.172 20 0 BEADLP CC[C@@H]1COCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804906 960604648 /nfs/dbraw/zinc/60/46/48/960604648.db2.gz JXGRCRKFDXGIKG-GFCCVEGCSA-N 2 2 245.326 2.174 20 0 BEADLP CC[C@@H]1COCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804906 960604656 /nfs/dbraw/zinc/60/46/56/960604656.db2.gz JXGRCRKFDXGIKG-GFCCVEGCSA-N 2 2 245.326 2.174 20 0 BEADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001167826527 961161536 /nfs/dbraw/zinc/16/15/36/961161536.db2.gz PQMUUEFHRYPLMA-CYBMUJFWSA-N 2 2 240.391 2.162 20 0 BEADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001167826527 961161545 /nfs/dbraw/zinc/16/15/45/961161545.db2.gz PQMUUEFHRYPLMA-CYBMUJFWSA-N 2 2 240.391 2.162 20 0 BEADLP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)cc1C ZINC000709809200 961624313 /nfs/dbraw/zinc/62/43/13/961624313.db2.gz PUSYPKLBJUENMK-UHFFFAOYSA-N 2 2 244.382 2.489 20 0 BEADLP CCc1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)cc1 ZINC000709809428 961630815 /nfs/dbraw/zinc/63/08/15/961630815.db2.gz SHVBHINTPPUVNV-UHFFFAOYSA-N 2 2 244.382 2.434 20 0 BEADLP Cc1nc(NCC2([NH3+])CCC2)cc(C(C)C)[nH+]1 ZINC000709841206 961710046 /nfs/dbraw/zinc/71/00/46/961710046.db2.gz OVZDDJPOGNXZGM-UHFFFAOYSA-N 2 2 234.347 2.202 20 0 BEADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167918185 961900482 /nfs/dbraw/zinc/90/04/82/961900482.db2.gz GWKLOYFNDAKPQT-FXUDXRNXSA-N 2 2 242.366 2.171 20 0 BEADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167918185 961900510 /nfs/dbraw/zinc/90/05/10/961900510.db2.gz GWKLOYFNDAKPQT-FXUDXRNXSA-N 2 2 242.366 2.171 20 0 BEADLP CC[C@H](C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168003421 963241348 /nfs/dbraw/zinc/24/13/48/963241348.db2.gz MMXNXYDUCBFDDU-GXTWGEPZSA-N 2 2 247.386 2.430 20 0 BEADLP CC[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168003421 963241363 /nfs/dbraw/zinc/24/13/63/963241363.db2.gz MMXNXYDUCBFDDU-GXTWGEPZSA-N 2 2 247.386 2.430 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@](C)([NH3+])C3)c2c1 ZINC001204771984 963417279 /nfs/dbraw/zinc/41/72/79/963417279.db2.gz SEAPFJKMHMPLEL-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@](C)([NH3+])C3)c2c1 ZINC001204771984 963417287 /nfs/dbraw/zinc/41/72/87/963417287.db2.gz SEAPFJKMHMPLEL-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1c[nH+]c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1C ZINC001157280994 963567628 /nfs/dbraw/zinc/56/76/28/963567628.db2.gz CUMWNOFGMZMOSN-UONOGXRCSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1c[nH+]c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1C ZINC001157280994 963567630 /nfs/dbraw/zinc/56/76/30/963567630.db2.gz CUMWNOFGMZMOSN-UONOGXRCSA-N 2 2 245.370 2.229 20 0 BEADLP CCN(CCn1cc[nH+]c1)c1[nH+]cc(C)cc1C ZINC001157462228 963620439 /nfs/dbraw/zinc/62/04/39/963620439.db2.gz FFDGBWNULMYXGT-UHFFFAOYSA-N 2 2 244.342 2.421 20 0 BEADLP Cc1cc(NC2C[NH+](C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001157529395 963643617 /nfs/dbraw/zinc/64/36/17/963643617.db2.gz APVSBUONJOWWGZ-UHFFFAOYSA-N 2 2 246.358 2.167 20 0 BEADLP COc1cc[nH+]c(N2CC[N@H+](C(C)C)[C@@H](C)C2)c1 ZINC001158493626 963883004 /nfs/dbraw/zinc/88/30/04/963883004.db2.gz CNOLJQQMOAUSBU-LBPRGKRZSA-N 2 2 249.358 2.009 20 0 BEADLP COc1cc[nH+]c(N2CC[N@@H+](C(C)C)[C@@H](C)C2)c1 ZINC001158493626 963883006 /nfs/dbraw/zinc/88/30/06/963883006.db2.gz CNOLJQQMOAUSBU-LBPRGKRZSA-N 2 2 249.358 2.009 20 0 BEADLP COc1ccc[nH+]c1NC(C)(C)CC[NH+](C)C ZINC001158756599 963917258 /nfs/dbraw/zinc/91/72/58/963917258.db2.gz BTRMJXIWEKXLAP-UHFFFAOYSA-N 2 2 237.347 2.232 20 0 BEADLP c1cc(C2CC2)[nH+]c(N2CCC3(C[NH2+]C3)CC2)c1 ZINC001159049733 963985865 /nfs/dbraw/zinc/98/58/65/963985865.db2.gz KTSOAOUZSAFENU-UHFFFAOYSA-N 2 2 243.354 2.149 20 0 BEADLP CCOc1cc[nH+]cc1NC=CC1CC[NH2+]CC1 ZINC001159204325 964019594 /nfs/dbraw/zinc/01/95/94/964019594.db2.gz VIFXWYXIRFWWPD-BJMVGYQFSA-N 2 2 247.342 2.406 20 0 BEADLP S=c1[nH]cccc1[NH2+]C=CC1CC[NH2+]CC1 ZINC001159230809 964025781 /nfs/dbraw/zinc/02/57/81/964025781.db2.gz XKQPHWHJKHURRD-WEVVVXLNSA-N 2 2 235.356 2.296 20 0 BEADLP CCOc1cc(NC2=CCC[NH2+]C2)cc(C)[nH+]1 ZINC001159253976 964032224 /nfs/dbraw/zinc/03/22/24/964032224.db2.gz NZRUPHRXUIOFLJ-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP CCOc1cc(NC2=CCC[NH2+]CC2)cc(C)[nH+]1 ZINC001159253685 964033863 /nfs/dbraw/zinc/03/38/63/964033863.db2.gz FHMBTSBUCNAKGM-UHFFFAOYSA-N 2 2 247.342 2.468 20 0 BEADLP CCN(C)c1ccc(NC2=C[NH2+]CCC2)c[nH+]1 ZINC001159364279 964068891 /nfs/dbraw/zinc/06/88/91/964068891.db2.gz LTJQAVFXDCTODV-UHFFFAOYSA-N 2 2 232.331 2.174 20 0 BEADLP CSc1c[nH+]c(NCC[C@@H](C)[NH3+])c(C)c1 ZINC001159779214 964189973 /nfs/dbraw/zinc/18/99/73/964189973.db2.gz XLUPMEMNPAVEBW-SECBINFHSA-N 2 2 225.361 2.261 20 0 BEADLP Cc1c[nH+]ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213026256 964409640 /nfs/dbraw/zinc/40/96/40/964409640.db2.gz PSYDCIKEMISGTI-UHFFFAOYSA-N 2 2 224.267 2.432 20 0 BEADLP COc1cc[nH+]c(N[C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC001161175225 964548547 /nfs/dbraw/zinc/54/85/47/964548547.db2.gz FOLPFTYAUFHVPW-NSHDSACASA-N 2 2 247.342 2.129 20 0 BEADLP COc1cc[nH+]c(N[C@H]2CC[N@H+](C3CCC3)C2)c1 ZINC001161175225 964548555 /nfs/dbraw/zinc/54/85/55/964548555.db2.gz FOLPFTYAUFHVPW-NSHDSACASA-N 2 2 247.342 2.129 20 0 BEADLP CCCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162205895 964868938 /nfs/dbraw/zinc/86/89/38/964868938.db2.gz SVXJOQTZHGPGST-CQSZACIVSA-N 2 2 247.386 2.432 20 0 BEADLP CCCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001162205895 964868940 /nfs/dbraw/zinc/86/89/40/964868940.db2.gz SVXJOQTZHGPGST-CQSZACIVSA-N 2 2 247.386 2.432 20 0 BEADLP [NH3+][C@H]1CCC[C@@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001162396589 964954952 /nfs/dbraw/zinc/95/49/52/964954952.db2.gz LUHQMLXRSYUVPT-WDEREUQCSA-N 2 2 230.315 2.016 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCCCC3)C[C@@H]21 ZINC001257461548 1169867485 /nfs/dbraw/zinc/86/74/85/1169867485.db2.gz VDNIWBMEYLLABW-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCCCC3)C[C@@H]21 ZINC001257461548 1169867495 /nfs/dbraw/zinc/86/74/95/1169867495.db2.gz VDNIWBMEYLLABW-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCCC3)C[C@@H]21 ZINC001257461548 1169867508 /nfs/dbraw/zinc/86/75/08/1169867508.db2.gz VDNIWBMEYLLABW-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCCCC3)C[C@@H]21 ZINC001257461548 1169867522 /nfs/dbraw/zinc/86/75/22/1169867522.db2.gz VDNIWBMEYLLABW-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cc2ccccc2c(N2CC([NH+](C)C)C2)[nH+]1 ZINC001163940629 965651133 /nfs/dbraw/zinc/65/11/33/965651133.db2.gz PHFJBKAXEQATDF-UHFFFAOYSA-N 2 2 241.338 2.293 20 0 BEADLP Cc1cc([NH+]2CCCCC2)ccc1NOCC[NH3+] ZINC001164438570 965882334 /nfs/dbraw/zinc/88/23/34/965882334.db2.gz AUIOUBDGBGBBQP-UHFFFAOYSA-N 2 2 249.358 2.288 20 0 BEADLP Cc1cc(N2CCCCC2)ccc1[NH2+]OCC[NH3+] ZINC001164438570 965882336 /nfs/dbraw/zinc/88/23/36/965882336.db2.gz AUIOUBDGBGBBQP-UHFFFAOYSA-N 2 2 249.358 2.288 20 0 BEADLP Cc1ccc(N(C)CC[NH+]2CCCC2)[nH+]c1C ZINC001165139769 965969563 /nfs/dbraw/zinc/96/95/63/965969563.db2.gz FTTDPTOHWDVVMO-UHFFFAOYSA-N 2 2 233.359 2.230 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001235164620 966019247 /nfs/dbraw/zinc/01/92/47/966019247.db2.gz BRNXHXMFRYBOMU-JKSUJKDBSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001235164620 966019267 /nfs/dbraw/zinc/01/92/67/966019267.db2.gz BRNXHXMFRYBOMU-JKSUJKDBSA-N 2 2 242.366 2.098 20 0 BEADLP Cc1[nH+]cc2n1CCN(c1[nH+]cc(C)cc1C)C2 ZINC001165386121 966081928 /nfs/dbraw/zinc/08/19/28/966081928.db2.gz YJSZGFMDLDOMEB-UHFFFAOYSA-N 2 2 242.326 2.224 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995040 966218252 /nfs/dbraw/zinc/21/82/52/966218252.db2.gz UZXGJVGPHDKRQI-HZPDHXFCSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995040 966218272 /nfs/dbraw/zinc/21/82/72/966218272.db2.gz UZXGJVGPHDKRQI-HZPDHXFCSA-N 2 2 242.366 2.487 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236092860 966264940 /nfs/dbraw/zinc/26/49/40/966264940.db2.gz FMUFFUDSFHIZBW-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236092860 966264956 /nfs/dbraw/zinc/26/49/56/966264956.db2.gz FMUFFUDSFHIZBW-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP Cc1cc(Cl)c(C)c(N2CCC([NH3+])CC2)[nH+]1 ZINC001166662730 966356996 /nfs/dbraw/zinc/35/69/96/966356996.db2.gz ZMJFPVAXCKNMQY-UHFFFAOYSA-N 2 2 239.750 2.279 20 0 BEADLP Cc1cc(C[NH+]2CC(C)(C[NH3+])C2)c(C)s1 ZINC001206718244 966407605 /nfs/dbraw/zinc/40/76/05/966407605.db2.gz NDFXPYINIFJXCB-UHFFFAOYSA-N 2 2 224.373 2.146 20 0 BEADLP CC(C)Oc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206718533 966423404 /nfs/dbraw/zinc/42/34/04/966423404.db2.gz UTKJJAGLXUAOSN-UHFFFAOYSA-N 2 2 248.370 2.254 20 0 BEADLP CCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236865228 966598021 /nfs/dbraw/zinc/59/80/21/966598021.db2.gz GQIDKDIJMJFCCV-ZDUSSCGKSA-N 2 2 236.359 2.254 20 0 BEADLP CCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236865228 966598038 /nfs/dbraw/zinc/59/80/38/966598038.db2.gz GQIDKDIJMJFCCV-ZDUSSCGKSA-N 2 2 236.359 2.254 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001236864460 966598921 /nfs/dbraw/zinc/59/89/21/966598921.db2.gz BFMPGYNLXDZZOX-ZDUSSCGKSA-N 2 2 231.343 2.337 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001236864460 966598928 /nfs/dbraw/zinc/59/89/28/966598928.db2.gz BFMPGYNLXDZZOX-ZDUSSCGKSA-N 2 2 231.343 2.337 20 0 BEADLP Nc1c[nH+]cn1-c1ccc([NH+]2CCCCC2)cc1 ZINC001203717463 966749481 /nfs/dbraw/zinc/74/94/81/966749481.db2.gz COTRYTCJRNNMAY-UHFFFAOYSA-N 2 2 242.326 2.445 20 0 BEADLP c1cn2cc(C3=CCC[NH2+]CC3)ccc2[nH+]1 ZINC001238941913 966793087 /nfs/dbraw/zinc/79/30/87/966793087.db2.gz VPBMFLAFTGEGSU-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP CCC1(Nc2cc[nH+]c(OC(C)C)c2)C[NH2+]C1 ZINC001168583127 966926137 /nfs/dbraw/zinc/92/61/37/966926137.db2.gz GLHBNUSAVWWLMN-UHFFFAOYSA-N 2 2 235.331 2.033 20 0 BEADLP COc1cc[nH+]cc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601323 966970465 /nfs/dbraw/zinc/97/04/65/966970465.db2.gz LMFYPNVLYYMTGI-AAEUAGOBSA-N 2 2 249.358 2.375 20 0 BEADLP c1cnc2cc(C[N@@H+]3CCC[NH2+]CC3)ccc2c1 ZINC001204661100 967122912 /nfs/dbraw/zinc/12/29/12/967122912.db2.gz WQHIEHUSISLACM-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1cnc2cc(C[N@H+]3CCC[NH2+]CC3)ccc2c1 ZINC001204661100 967122924 /nfs/dbraw/zinc/12/29/24/967122924.db2.gz WQHIEHUSISLACM-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1C ZINC001204771061 967159266 /nfs/dbraw/zinc/15/92/66/967159266.db2.gz MVFUAKIXZUNFBS-OAHLLOKOSA-N 2 2 248.370 2.235 20 0 BEADLP COc1c(C)cc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1C ZINC001204771061 967159273 /nfs/dbraw/zinc/15/92/73/967159273.db2.gz MVFUAKIXZUNFBS-OAHLLOKOSA-N 2 2 248.370 2.235 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@](C)([NH3+])C1)OCc1ccccc1 ZINC001204764408 967161244 /nfs/dbraw/zinc/16/12/44/967161244.db2.gz ZEUVEPAALLZWSK-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@](C)([NH3+])C1)OCc1ccccc1 ZINC001204764408 967161252 /nfs/dbraw/zinc/16/12/52/967161252.db2.gz ZEUVEPAALLZWSK-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@](C)([NH3+])C2)sc1C ZINC001204801449 967176827 /nfs/dbraw/zinc/17/68/27/967176827.db2.gz PISXONPQLACDHH-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@](C)([NH3+])C2)sc1C ZINC001204801449 967176835 /nfs/dbraw/zinc/17/68/35/967176835.db2.gz PISXONPQLACDHH-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1ccn2cc[nH+]c2c1 ZINC001204966107 967267869 /nfs/dbraw/zinc/26/78/69/967267869.db2.gz LJMBQYSBVIZAMM-UHFFFAOYSA-N 2 2 227.271 2.120 20 0 BEADLP Cc1[nH+]cc(Nc2ccn3cc[nH+]c3c2)n1C ZINC001204971365 967268833 /nfs/dbraw/zinc/26/88/33/967268833.db2.gz JMQDEYCVDUFTCL-UHFFFAOYSA-N 2 2 227.271 2.120 20 0 BEADLP Cc1cnc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205088574 967339108 /nfs/dbraw/zinc/33/91/08/967339108.db2.gz PWHFCZDHJVZSNJ-STQMWFEESA-N 2 2 233.359 2.010 20 0 BEADLP Cc1cnc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)c1 ZINC001205088574 967339113 /nfs/dbraw/zinc/33/91/13/967339113.db2.gz PWHFCZDHJVZSNJ-STQMWFEESA-N 2 2 233.359 2.010 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(Cl)ccn2)CC1 ZINC001205102224 967344397 /nfs/dbraw/zinc/34/43/97/967344397.db2.gz QDBVGVBDMKDDHJ-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)CC1 ZINC001205102224 967344411 /nfs/dbraw/zinc/34/44/11/967344411.db2.gz QDBVGVBDMKDDHJ-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001205116919 967363487 /nfs/dbraw/zinc/36/34/87/967363487.db2.gz JCBYVBSTUPOXBA-LLVKDONJSA-N 2 2 245.326 2.141 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001205116919 967363498 /nfs/dbraw/zinc/36/34/98/967363498.db2.gz JCBYVBSTUPOXBA-LLVKDONJSA-N 2 2 245.326 2.141 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ncccc1C ZINC001205813668 967833985 /nfs/dbraw/zinc/83/39/85/967833985.db2.gz DHEPFAWOLGWOHR-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ncccc1C ZINC001205813668 967833987 /nfs/dbraw/zinc/83/39/87/967833987.db2.gz DHEPFAWOLGWOHR-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1C ZINC001205829333 967841829 /nfs/dbraw/zinc/84/18/29/967841829.db2.gz OMPFRTBTVQNHQY-ZWNOBZJWSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1c[nH]c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1C ZINC001205829333 967841831 /nfs/dbraw/zinc/84/18/31/967841831.db2.gz OMPFRTBTVQNHQY-ZWNOBZJWSA-N 2 2 235.375 2.191 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](CC2OC=CC2=S)C1 ZINC001205854363 967856239 /nfs/dbraw/zinc/85/62/39/967856239.db2.gz KADIFXBQFYAQIJ-UWVGGRQHSA-N 2 2 240.372 2.128 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](CC2OC=CC2=S)C1 ZINC001205854363 967856243 /nfs/dbraw/zinc/85/62/43/967856243.db2.gz KADIFXBQFYAQIJ-UWVGGRQHSA-N 2 2 240.372 2.128 20 0 BEADLP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868501 967865992 /nfs/dbraw/zinc/86/59/92/967865992.db2.gz HAAGFCSOUNCQSQ-BMIGLBTASA-N 2 2 248.370 2.178 20 0 BEADLP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868501 967865995 /nfs/dbraw/zinc/86/59/95/967865995.db2.gz HAAGFCSOUNCQSQ-BMIGLBTASA-N 2 2 248.370 2.178 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)[NH+](C)C ZINC000711191602 967997669 /nfs/dbraw/zinc/99/76/69/967997669.db2.gz GNCYHNLQTYQHFR-WUHRBBMRSA-N 2 2 210.365 2.105 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC001206058864 968030717 /nfs/dbraw/zinc/03/07/17/968030717.db2.gz TWTSQPKGXRLIFF-ZWNOBZJWSA-N 2 2 238.400 2.480 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)s1 ZINC001206058864 968030729 /nfs/dbraw/zinc/03/07/29/968030729.db2.gz TWTSQPKGXRLIFF-ZWNOBZJWSA-N 2 2 238.400 2.480 20 0 BEADLP CC/C=C\CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206335325 968238715 /nfs/dbraw/zinc/23/87/15/968238715.db2.gz FAZPLCCATPNGBI-DHCBQETCSA-N 2 2 228.355 2.496 20 0 BEADLP CC/C=C\CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206335325 968238722 /nfs/dbraw/zinc/23/87/22/968238722.db2.gz FAZPLCCATPNGBI-DHCBQETCSA-N 2 2 228.355 2.496 20 0 BEADLP CCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337734 968247211 /nfs/dbraw/zinc/24/72/11/968247211.db2.gz WAJOCWIKTYEPSR-GFCCVEGCSA-N 2 2 216.344 2.330 20 0 BEADLP CCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337734 968247223 /nfs/dbraw/zinc/24/72/23/968247223.db2.gz WAJOCWIKTYEPSR-GFCCVEGCSA-N 2 2 216.344 2.330 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001206743974 968452171 /nfs/dbraw/zinc/45/21/71/968452171.db2.gz CUBOZHGOCHBBIB-UHFFFAOYSA-N 2 2 247.317 2.088 20 0 BEADLP C[C@H]1[C@@H]([NH2+]CCc2ccc(F)cc2)CC[N@@H+]1C ZINC001119980985 968492585 /nfs/dbraw/zinc/49/25/85/968492585.db2.gz QHQNFNFGBGFHLV-FZMZJTMJSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H]1[C@@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC001119980985 968492592 /nfs/dbraw/zinc/49/25/92/968492592.db2.gz QHQNFNFGBGFHLV-FZMZJTMJSA-N 2 2 236.334 2.050 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)ccn1 ZINC001206854083 968500205 /nfs/dbraw/zinc/50/02/05/968500205.db2.gz OYJNYXJPHVHTHM-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ccn1 ZINC001206854083 968500212 /nfs/dbraw/zinc/50/02/12/968500212.db2.gz OYJNYXJPHVHTHM-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP Fc1ccc(C2=CCC[NH2+]C2)cc1-n1cc[nH+]c1 ZINC001240670567 968636375 /nfs/dbraw/zinc/63/63/75/968636375.db2.gz JBBLYRHZMPIQSZ-UHFFFAOYSA-N 2 2 243.285 2.388 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cncc(C)c1 ZINC001207162282 968671100 /nfs/dbraw/zinc/67/11/00/968671100.db2.gz XCUOETLLMBYABF-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cncc(C)c1 ZINC001207162282 968671104 /nfs/dbraw/zinc/67/11/04/968671104.db2.gz XCUOETLLMBYABF-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP C[N@@H+]1CCC2(C[NH+](CCC3CCCC3)C2)C1 ZINC001276513210 968680229 /nfs/dbraw/zinc/68/02/29/968680229.db2.gz IGHRMDPOUVFYDI-UHFFFAOYSA-N 2 2 222.376 2.204 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1ccc2[nH]c(N)[nH+]c2c1 ZINC001242090409 969202382 /nfs/dbraw/zinc/20/23/82/969202382.db2.gz RRAKFRHDVJQXJP-UHFFFAOYSA-N 2 2 239.282 2.098 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001242090409 969202387 /nfs/dbraw/zinc/20/23/87/969202387.db2.gz RRAKFRHDVJQXJP-UHFFFAOYSA-N 2 2 239.282 2.098 20 0 BEADLP CCN(C)c1ccc(NC2=CC[N@H+](C)CC2)c[nH+]1 ZINC001208801903 969246102 /nfs/dbraw/zinc/24/61/02/969246102.db2.gz CFTHHGHKOFGMDQ-UHFFFAOYSA-N 2 2 246.358 2.169 20 0 BEADLP CCN(C)c1ccc(NC2=CC[N@@H+](C)CC2)c[nH+]1 ZINC001208801903 969246112 /nfs/dbraw/zinc/24/61/12/969246112.db2.gz CFTHHGHKOFGMDQ-UHFFFAOYSA-N 2 2 246.358 2.169 20 0 BEADLP c1cnc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2c1 ZINC000720471604 969256758 /nfs/dbraw/zinc/25/67/58/969256758.db2.gz MSKYZLHHACCQOL-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)C(F)(F)F ZINC001208888476 969276878 /nfs/dbraw/zinc/27/68/78/969276878.db2.gz ZVCGIOMFHVMUPM-VIFPVBQESA-N 2 2 226.286 2.068 20 0 BEADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)C(F)(F)F ZINC001208888476 969276885 /nfs/dbraw/zinc/27/68/85/969276885.db2.gz ZVCGIOMFHVMUPM-VIFPVBQESA-N 2 2 226.286 2.068 20 0 BEADLP CSCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000723480971 969318969 /nfs/dbraw/zinc/31/89/69/969318969.db2.gz VMSCAJQELBOVGE-CYBMUJFWSA-N 2 2 244.448 2.450 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169081764 969403109 /nfs/dbraw/zinc/40/31/09/969403109.db2.gz VZYKSMBEVYVQQY-ZSOGYDGISA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169081764 969403110 /nfs/dbraw/zinc/40/31/10/969403110.db2.gz VZYKSMBEVYVQQY-ZSOGYDGISA-N 2 2 245.370 2.105 20 0 BEADLP CC[N@H+](C[C@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209420352 969488384 /nfs/dbraw/zinc/48/83/84/969488384.db2.gz HZEPLFAFZFLKPQ-NWDGAFQWSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@@H+](C[C@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209420352 969488388 /nfs/dbraw/zinc/48/83/88/969488388.db2.gz HZEPLFAFZFLKPQ-NWDGAFQWSA-N 2 2 210.365 2.059 20 0 BEADLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1F ZINC001209447692 969518277 /nfs/dbraw/zinc/51/82/77/969518277.db2.gz CGOXVDGPOZOOFZ-OLZOCXBDSA-N 2 2 228.355 2.152 20 0 BEADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1F ZINC001209447692 969518285 /nfs/dbraw/zinc/51/82/85/969518285.db2.gz CGOXVDGPOZOOFZ-OLZOCXBDSA-N 2 2 228.355 2.152 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001169247078 969536078 /nfs/dbraw/zinc/53/60/78/969536078.db2.gz YPDNTSNQXZNMSY-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP CC[NH+]1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001169247078 969536082 /nfs/dbraw/zinc/53/60/82/969536082.db2.gz YPDNTSNQXZNMSY-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP CC[N@H+](Cc1cccnc1)C1CC[NH+](CC)CC1 ZINC001169258577 969543385 /nfs/dbraw/zinc/54/33/85/969543385.db2.gz NBCJRNKUADMDHR-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[N@@H+](Cc1cccnc1)C1CC[NH+](CC)CC1 ZINC001169258577 969543394 /nfs/dbraw/zinc/54/33/94/969543394.db2.gz NBCJRNKUADMDHR-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP C[C@H]1CCC[C@H](C)[NH+]1Cc1c[nH+]ccc1N ZINC001209728388 969579300 /nfs/dbraw/zinc/57/93/00/969579300.db2.gz SMZITWRTIXFNRX-QWRGUYRKSA-N 2 2 219.332 2.257 20 0 BEADLP C[C@@]1(F)CCCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728012 969579565 /nfs/dbraw/zinc/57/95/65/969579565.db2.gz BSGHCNXRIXQGLB-CYBMUJFWSA-N 2 2 237.322 2.208 20 0 BEADLP C[C@@]1(F)CCCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209728012 969579570 /nfs/dbraw/zinc/57/95/70/969579570.db2.gz BSGHCNXRIXQGLB-CYBMUJFWSA-N 2 2 237.322 2.208 20 0 BEADLP FC1(F)CC(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254832052 969793145 /nfs/dbraw/zinc/79/31/45/969793145.db2.gz BJYJKYCAYMKYJS-GFCCVEGCSA-N 2 2 244.329 2.106 20 0 BEADLP CC[C@H](C)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254829309 969793367 /nfs/dbraw/zinc/79/33/67/969793367.db2.gz CGYIAFYMFYRXLX-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254829248 969794153 /nfs/dbraw/zinc/79/41/53/969794153.db2.gz BNXSWXBQQXYSAY-CQSZACIVSA-N 2 2 222.376 2.393 20 0 BEADLP F[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254832481 969796809 /nfs/dbraw/zinc/79/68/09/969796809.db2.gz FYPONFITTDJRSC-MGPQQGTHSA-N 2 2 240.366 2.199 20 0 BEADLP CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254835085 969799769 /nfs/dbraw/zinc/79/97/69/969799769.db2.gz DTAAPXRUYSTNQW-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP C1[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C12CCCC2 ZINC001254846931 969802919 /nfs/dbraw/zinc/80/29/19/969802919.db2.gz YIFJVSQNIZTODW-ZIAGYGMSSA-N 2 2 234.387 2.393 20 0 BEADLP C1[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C12CCC2 ZINC001254848385 969803297 /nfs/dbraw/zinc/80/32/97/969803297.db2.gz OLKRCOYYTFSBME-STQMWFEESA-N 2 2 220.360 2.003 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254847185 969804619 /nfs/dbraw/zinc/80/46/19/969804619.db2.gz FKSQXPUINOFMJR-LBPRGKRZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCC1 ZINC001254850512 969807043 /nfs/dbraw/zinc/80/70/43/969807043.db2.gz GXWTVDCMDUJRDR-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C1C[C@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254852835 969807115 /nfs/dbraw/zinc/80/71/15/969807115.db2.gz JHPAKWWKHLJDAV-QLFBSQMISA-N 2 2 234.387 2.203 20 0 BEADLP C1C[C@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254852835 969807119 /nfs/dbraw/zinc/80/71/19/969807119.db2.gz JHPAKWWKHLJDAV-QLFBSQMISA-N 2 2 234.387 2.203 20 0 BEADLP C[NH+](C)CCC(C)(C)Nc1cccc[nH+]1 ZINC001169711625 969828559 /nfs/dbraw/zinc/82/85/59/969828559.db2.gz NUSNYSHEDGALKF-UHFFFAOYSA-N 2 2 207.321 2.224 20 0 BEADLP C[NH2+]CCNc1cc(C2CCCCC2)[nH+]c(C)n1 ZINC001156893297 970024947 /nfs/dbraw/zinc/02/49/47/970024947.db2.gz BDZMRNPTOMMRQU-UHFFFAOYSA-N 2 2 248.374 2.464 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001157262042 970173414 /nfs/dbraw/zinc/17/34/14/970173414.db2.gz UZUDGNMBFHBRCP-UONOGXRCSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001157262042 970173421 /nfs/dbraw/zinc/17/34/21/970173421.db2.gz UZUDGNMBFHBRCP-UONOGXRCSA-N 2 2 245.370 2.229 20 0 BEADLP Cn1c[nH+]cc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001211247352 970193011 /nfs/dbraw/zinc/19/30/11/970193011.db2.gz WNUQGPKIMPSWGZ-UHFFFAOYSA-N 2 2 247.689 2.465 20 0 BEADLP Cc1cc(C)c(N(C)c2cc(N)cc[nH+]2)c[nH+]1 ZINC001213513488 970340700 /nfs/dbraw/zinc/34/07/00/970340700.db2.gz OEHMCJZQYBSDNU-UHFFFAOYSA-N 2 2 228.299 2.444 20 0 BEADLP COC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001255566606 970357605 /nfs/dbraw/zinc/35/76/05/970357605.db2.gz LNUWEWUXERSRIB-LLVKDONJSA-N 2 2 245.326 2.216 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CC[C@H](C)C1)C2 ZINC001170137590 970411885 /nfs/dbraw/zinc/41/18/85/970411885.db2.gz OHEXOEXIJKDIFA-JQWIXIFHSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CC[C@H](C)C1)C2 ZINC001170137590 970411889 /nfs/dbraw/zinc/41/18/89/970411889.db2.gz OHEXOEXIJKDIFA-JQWIXIFHSA-N 2 2 219.332 2.196 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@H]1C(C)=O ZINC001255969186 970606108 /nfs/dbraw/zinc/60/61/08/970606108.db2.gz UZVXVHSJDBQKLN-JSGCOSHPSA-N 2 2 240.391 2.160 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@H]1C(C)=O ZINC001255969186 970606115 /nfs/dbraw/zinc/60/61/15/970606115.db2.gz UZVXVHSJDBQKLN-JSGCOSHPSA-N 2 2 240.391 2.160 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC23CCCC3)CC1 ZINC001256203074 970699910 /nfs/dbraw/zinc/69/99/10/970699910.db2.gz QMTBPJOZDHCWAK-UHFFFAOYSA-N 2 2 208.349 2.099 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001256203074 970699917 /nfs/dbraw/zinc/69/99/17/970699917.db2.gz QMTBPJOZDHCWAK-UHFFFAOYSA-N 2 2 208.349 2.099 20 0 BEADLP C[NH+]1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001256204439 970702193 /nfs/dbraw/zinc/70/21/93/970702193.db2.gz RPYQFTNHIKCRHT-PHIMTYICSA-N 2 2 244.329 2.058 20 0 BEADLP C[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001256204439 970702203 /nfs/dbraw/zinc/70/22/03/970702203.db2.gz RPYQFTNHIKCRHT-PHIMTYICSA-N 2 2 244.329 2.058 20 0 BEADLP C[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202727 970703507 /nfs/dbraw/zinc/70/35/07/970703507.db2.gz LHRVUXGEPNYNKA-JTQLQIEISA-N 2 2 232.318 2.058 20 0 BEADLP C[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202727 970703520 /nfs/dbraw/zinc/70/35/20/970703520.db2.gz LHRVUXGEPNYNKA-JTQLQIEISA-N 2 2 232.318 2.058 20 0 BEADLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256207168 970709849 /nfs/dbraw/zinc/70/98/49/970709849.db2.gz ATNSCUBJIFYXDB-UHFFFAOYSA-N 2 2 246.354 2.105 20 0 BEADLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256207168 970709856 /nfs/dbraw/zinc/70/98/56/970709856.db2.gz ATNSCUBJIFYXDB-UHFFFAOYSA-N 2 2 246.354 2.105 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256207219 970712034 /nfs/dbraw/zinc/71/20/34/970712034.db2.gz COHVNYLAQHRVNG-HNNXBMFYSA-N 2 2 245.370 2.313 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256207219 970712039 /nfs/dbraw/zinc/71/20/39/970712039.db2.gz COHVNYLAQHRVNG-HNNXBMFYSA-N 2 2 245.370 2.313 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(NCC(C)(C)[NH3+])c1 ZINC001171192374 972845299 /nfs/dbraw/zinc/84/52/99/972845299.db2.gz DXLSUMZEPVFMSB-UHFFFAOYSA-N 2 2 244.342 2.236 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C)C1)[NH+]1CCCCC1 ZINC000231787606 972955630 /nfs/dbraw/zinc/95/56/30/972955630.db2.gz DZKAXIKKARQXDW-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001328681545 973266058 /nfs/dbraw/zinc/26/60/58/973266058.db2.gz NWWZFRVPROLUTO-HNNXBMFYSA-N 2 2 244.382 2.405 20 0 BEADLP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982640 973759031 /nfs/dbraw/zinc/75/90/31/973759031.db2.gz GOKVLLCUOLYXOY-ZOBORPQBSA-N 2 2 242.407 2.249 20 0 BEADLP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982640 973759043 /nfs/dbraw/zinc/75/90/43/973759043.db2.gz GOKVLLCUOLYXOY-ZOBORPQBSA-N 2 2 242.407 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(C(F)(F)F)nc1 ZINC001329644575 973865870 /nfs/dbraw/zinc/86/58/70/973865870.db2.gz WVHOLXPXNWASGR-JGVFFNPUSA-N 2 2 247.264 2.098 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC001172098407 974341679 /nfs/dbraw/zinc/34/16/79/974341679.db2.gz DIGVJKSQYACCDP-UBSAEIQESA-N 2 2 249.358 2.088 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC001172098407 974341687 /nfs/dbraw/zinc/34/16/87/974341687.db2.gz DIGVJKSQYACCDP-UBSAEIQESA-N 2 2 249.358 2.088 20 0 BEADLP C[NH+](C)C1CCC(Oc2cc[nH+]cc2)CC1 ZINC001225291350 974363897 /nfs/dbraw/zinc/36/38/97/974363897.db2.gz SKRNKNAKDQLMCP-UHFFFAOYSA-N 2 2 220.316 2.333 20 0 BEADLP CC1(C)C[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CO1 ZINC001172288967 974553367 /nfs/dbraw/zinc/55/33/67/974553367.db2.gz PFDVEQDUBSWYGK-NWDGAFQWSA-N 2 2 249.358 2.090 20 0 BEADLP CCOCC[C@@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001172426511 974704583 /nfs/dbraw/zinc/70/45/83/974704583.db2.gz YPNSUPVVOCGTHF-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CCOCC[C@@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001172426511 974704589 /nfs/dbraw/zinc/70/45/89/974704589.db2.gz YPNSUPVVOCGTHF-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]CCc1ccc(F)cc1F ZINC001331420297 974712811 /nfs/dbraw/zinc/71/28/11/974712811.db2.gz VGXBEJVBPLSAEW-SNVBAGLBSA-N 2 2 242.313 2.095 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001172445512 974808749 /nfs/dbraw/zinc/80/87/49/974808749.db2.gz QZQHVTJVQVPGIJ-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001172445512 974808753 /nfs/dbraw/zinc/80/87/53/974808753.db2.gz QZQHVTJVQVPGIJ-UONOGXRCSA-N 2 2 242.407 2.264 20 0 BEADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172540542 974875019 /nfs/dbraw/zinc/87/50/19/974875019.db2.gz OLGHKPYFRNKGNL-KBUPBQIOSA-N 2 2 230.355 2.402 20 0 BEADLP CCCOC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC001173091555 975015288 /nfs/dbraw/zinc/01/52/88/975015288.db2.gz VANZDJQJWVSZQM-HSBZDZAISA-N 2 2 242.407 2.264 20 0 BEADLP CCCOC1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC001173091557 975017408 /nfs/dbraw/zinc/01/74/08/975017408.db2.gz VANZDJQJWVSZQM-IYXRBSQSSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1cccnc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001334346917 976462707 /nfs/dbraw/zinc/46/27/07/976462707.db2.gz SRLBLYOKNXDFIY-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1cccnc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001334346917 976462708 /nfs/dbraw/zinc/46/27/08/976462708.db2.gz SRLBLYOKNXDFIY-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1c[nH+]ccc1Nc1cccn2cc[nH+]c12 ZINC001174537076 976820632 /nfs/dbraw/zinc/82/06/32/976820632.db2.gz VJSNRYKIJYSLTG-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP CCN(C)c1ccc(Nc2cc[nH+]c(C)c2)c[nH+]1 ZINC001174655033 976944472 /nfs/dbraw/zinc/94/44/72/976944472.db2.gz URJLOTKPQPQSNZ-UHFFFAOYSA-N 2 2 242.326 2.407 20 0 BEADLP Cc1cccc(CCCNc2cc[nH+]cc2)[nH+]1 ZINC001336395854 977654852 /nfs/dbraw/zinc/65/48/52/977654852.db2.gz FHVQXVUBOVUQRS-UHFFFAOYSA-N 2 2 227.311 2.252 20 0 BEADLP Cc1ccc(F)c(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001574155139 1170024978 /nfs/dbraw/zinc/02/49/78/1170024978.db2.gz SDRLJJFQLPFJMZ-ZDUSSCGKSA-N 2 2 236.334 2.018 20 0 BEADLP Cc1ccc(O)c(Nc2ccc(C[NH3+])cc2)[nH+]1 ZINC001175964069 977833400 /nfs/dbraw/zinc/83/34/00/977833400.db2.gz CLDNYFAKPIFIMD-UHFFFAOYSA-N 2 2 229.283 2.298 20 0 BEADLP F[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012132 977838406 /nfs/dbraw/zinc/83/84/06/977838406.db2.gz SZKKJIPWTOXKTO-SNVBAGLBSA-N 2 2 219.263 2.107 20 0 BEADLP F[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012132 977838409 /nfs/dbraw/zinc/83/84/09/977838409.db2.gz SZKKJIPWTOXKTO-SNVBAGLBSA-N 2 2 219.263 2.107 20 0 BEADLP CC1(C)COCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014585 977846980 /nfs/dbraw/zinc/84/69/80/977846980.db2.gz RKDPKTHRSPGUNF-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP CC1(C)COCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014585 977846985 /nfs/dbraw/zinc/84/69/85/977846985.db2.gz RKDPKTHRSPGUNF-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019112 977847011 /nfs/dbraw/zinc/84/70/11/977847011.db2.gz VSZAYOSBRBDTTR-AWEZNQCLSA-N 2 2 243.310 2.116 20 0 BEADLP CC(=O)[C@@H]1CCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232019112 977847019 /nfs/dbraw/zinc/84/70/19/977847019.db2.gz VSZAYOSBRBDTTR-AWEZNQCLSA-N 2 2 243.310 2.116 20 0 BEADLP COc1cc[nH+]cc1Nc1cc[nH+]c2c1CCC2 ZINC001176117984 977945293 /nfs/dbraw/zinc/94/52/93/977945293.db2.gz FVJFXNRHGXPIRA-UHFFFAOYSA-N 2 2 241.294 2.139 20 0 BEADLP Cn1c[nH+]cc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750753 978171600 /nfs/dbraw/zinc/17/16/00/978171600.db2.gz VRYWTJMXCYRIOO-UHFFFAOYSA-N 2 2 243.314 2.159 20 0 BEADLP Cc1cc(F)cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC001337238252 978236704 /nfs/dbraw/zinc/23/67/04/978236704.db2.gz GBAFVNSTDSUXPX-AAEUAGOBSA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC001337238252 978236724 /nfs/dbraw/zinc/23/67/24/978236724.db2.gz GBAFVNSTDSUXPX-AAEUAGOBSA-N 2 2 249.333 2.060 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]1 ZINC001337431700 978335428 /nfs/dbraw/zinc/33/54/28/978335428.db2.gz LURLWJIBIUMBAM-CYZMBNFOSA-N 2 2 249.333 2.281 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC001337431700 978335437 /nfs/dbraw/zinc/33/54/37/978335437.db2.gz LURLWJIBIUMBAM-CYZMBNFOSA-N 2 2 249.333 2.281 20 0 BEADLP CC(C)[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001277799491 978668131 /nfs/dbraw/zinc/66/81/31/978668131.db2.gz VAZRFVXMUJOYBJ-UHFFFAOYSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001277799491 978668138 /nfs/dbraw/zinc/66/81/38/978668138.db2.gz VAZRFVXMUJOYBJ-UHFFFAOYSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233749616 978686773 /nfs/dbraw/zinc/68/67/73/978686773.db2.gz UNOQKUCYURTVNI-CYBMUJFWSA-N 2 2 245.326 2.196 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233749616 978686783 /nfs/dbraw/zinc/68/67/83/978686783.db2.gz UNOQKUCYURTVNI-CYBMUJFWSA-N 2 2 245.326 2.196 20 0 BEADLP CC[N@@H+]1CCC[C@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233754628 978691549 /nfs/dbraw/zinc/69/15/49/978691549.db2.gz KKGDTIVJFOLDRO-LBPRGKRZSA-N 2 2 245.326 2.197 20 0 BEADLP CC[N@H+]1CCC[C@H](Oc2ccc3[nH+]ccn3c2)C1 ZINC001233754628 978691553 /nfs/dbraw/zinc/69/15/53/978691553.db2.gz KKGDTIVJFOLDRO-LBPRGKRZSA-N 2 2 245.326 2.197 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CCO1 ZINC000070359888 978832786 /nfs/dbraw/zinc/83/27/86/978832786.db2.gz IQDXUIRAEAWAPM-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000070643649 978861263 /nfs/dbraw/zinc/86/12/63/978861263.db2.gz WGJXOXSRYDAARB-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CCCO3)CC2)c(C)[nH+]1 ZINC001234634373 978880138 /nfs/dbraw/zinc/88/01/38/978880138.db2.gz GJVUQATYUSNBBY-UHFFFAOYSA-N 2 2 249.358 2.172 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070748166 978889002 /nfs/dbraw/zinc/88/90/02/978889002.db2.gz UIEXBWYODUZORN-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC=C(C)C)C1 ZINC001180847749 978952643 /nfs/dbraw/zinc/95/26/43/978952643.db2.gz CISSERONSPDYAU-ZDUSSCGKSA-N 2 2 210.365 2.417 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCC=C(C)C)C1 ZINC001180847749 978952645 /nfs/dbraw/zinc/95/26/45/978952645.db2.gz CISSERONSPDYAU-ZDUSSCGKSA-N 2 2 210.365 2.417 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235146454 978981999 /nfs/dbraw/zinc/98/19/99/978981999.db2.gz LBAUJUCMVSYGQW-GJZGRUSLSA-N 2 2 230.355 2.172 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235146454 978982001 /nfs/dbraw/zinc/98/20/01/978982001.db2.gz LBAUJUCMVSYGQW-GJZGRUSLSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235196654 978991566 /nfs/dbraw/zinc/99/15/66/978991566.db2.gz BIEDEXAZXPBZDF-HOCLYGCPSA-N 2 2 244.382 2.351 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235196654 978991570 /nfs/dbraw/zinc/99/15/70/978991570.db2.gz BIEDEXAZXPBZDF-HOCLYGCPSA-N 2 2 244.382 2.351 20 0 BEADLP CCc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC001235248415 979008650 /nfs/dbraw/zinc/00/86/50/979008650.db2.gz BWGLOVCFURPKGC-UHFFFAOYSA-N 2 2 247.386 2.170 20 0 BEADLP CCc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC001235248415 979008656 /nfs/dbraw/zinc/00/86/56/979008656.db2.gz BWGLOVCFURPKGC-UHFFFAOYSA-N 2 2 247.386 2.170 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC(c2cccs2)CC1 ZINC001235690562 979117970 /nfs/dbraw/zinc/11/79/70/979117970.db2.gz AGBGFCFYRFRLKL-SNVBAGLBSA-N 2 2 224.373 2.275 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235959042 979226329 /nfs/dbraw/zinc/22/63/29/979226329.db2.gz QFKNJCPMWAMBEA-HIFRSBDPSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235959042 979226345 /nfs/dbraw/zinc/22/63/45/979226345.db2.gz QFKNJCPMWAMBEA-HIFRSBDPSA-N 2 2 248.370 2.015 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976393 979241131 /nfs/dbraw/zinc/24/11/31/979241131.db2.gz BNMQEIFPJNJUNB-HUUCEWRRSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976393 979241142 /nfs/dbraw/zinc/24/11/42/979241142.db2.gz BNMQEIFPJNJUNB-HUUCEWRRSA-N 2 2 230.355 2.172 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1C ZINC001235979809 979247684 /nfs/dbraw/zinc/24/76/84/979247684.db2.gz KWQPJGGQIQIYEJ-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1C ZINC001235979809 979247703 /nfs/dbraw/zinc/24/77/03/979247703.db2.gz KWQPJGGQIQIYEJ-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981675 979260890 /nfs/dbraw/zinc/26/08/90/979260890.db2.gz RSRKBSIEJLVDQQ-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981675 979260903 /nfs/dbraw/zinc/26/09/03/979260903.db2.gz RSRKBSIEJLVDQQ-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(C)s1 ZINC001235982204 979263764 /nfs/dbraw/zinc/26/37/64/979263764.db2.gz UODQZLPORNJZLS-CHWSQXEVSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(C)s1 ZINC001235982204 979263768 /nfs/dbraw/zinc/26/37/68/979263768.db2.gz UODQZLPORNJZLS-CHWSQXEVSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)c2c1 ZINC001236025279 979318743 /nfs/dbraw/zinc/31/87/43/979318743.db2.gz VYFZOEBUEBMMMD-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[C@@]4([NH3+])C3)c2c1 ZINC001236025279 979318754 /nfs/dbraw/zinc/31/87/54/979318754.db2.gz VYFZOEBUEBMMMD-IUODEOHRSA-N 2 2 241.338 2.009 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236046404 979341712 /nfs/dbraw/zinc/34/17/12/979341712.db2.gz GFBKYRDYSZUHBZ-WFASDCNBSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236046404 979341720 /nfs/dbraw/zinc/34/17/20/979341720.db2.gz GFBKYRDYSZUHBZ-WFASDCNBSA-N 2 2 232.371 2.418 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2occc2c1 ZINC001236245249 979467669 /nfs/dbraw/zinc/46/76/69/979467669.db2.gz LVGKVZOMRGOYSK-CYBMUJFWSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2occc2c1 ZINC001236245249 979467672 /nfs/dbraw/zinc/46/76/72/979467672.db2.gz LVGKVZOMRGOYSK-CYBMUJFWSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc(F)cc2cc[nH]c21 ZINC001236253365 979472895 /nfs/dbraw/zinc/47/28/95/979472895.db2.gz VZANUCLPKYPIIX-CYBMUJFWSA-N 2 2 247.317 2.230 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc(F)cc2cc[nH]c21 ZINC001236253365 979472899 /nfs/dbraw/zinc/47/28/99/979472899.db2.gz VZANUCLPKYPIIX-CYBMUJFWSA-N 2 2 247.317 2.230 20 0 BEADLP Nc1ccc(-c2ccc3c(c2)[C@H]([NH3+])CC3)c[nH+]1 ZINC001236315691 979527319 /nfs/dbraw/zinc/52/73/19/979527319.db2.gz CCECNCPCLWJLOD-CYBMUJFWSA-N 2 2 225.295 2.277 20 0 BEADLP C[NH2+]CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001236434735 979578371 /nfs/dbraw/zinc/57/83/71/979578371.db2.gz VHEOUQDAYPUQBH-UHFFFAOYSA-N 2 2 232.371 2.260 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2cc[nH]c21 ZINC001236871175 979774887 /nfs/dbraw/zinc/77/48/87/979774887.db2.gz YOOBQTXVKHENQS-ZDUSSCGKSA-N 2 2 231.343 2.337 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC001236871175 979774895 /nfs/dbraw/zinc/77/48/95/979774895.db2.gz YOOBQTXVKHENQS-ZDUSSCGKSA-N 2 2 231.343 2.337 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2c1cccc2F ZINC001236885673 979784305 /nfs/dbraw/zinc/78/43/05/979784305.db2.gz MROLOKSVNMFWCS-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2c1cccc2F ZINC001236885673 979784308 /nfs/dbraw/zinc/78/43/08/979784308.db2.gz MROLOKSVNMFWCS-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP COc1cc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c(C)c1 ZINC001236900188 979788598 /nfs/dbraw/zinc/78/85/98/979788598.db2.gz PUTZQISZAGOTAC-LBPRGKRZSA-N 2 2 236.359 2.091 20 0 BEADLP COc1cc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c(C)c1 ZINC001236900188 979788610 /nfs/dbraw/zinc/78/86/10/979788610.db2.gz PUTZQISZAGOTAC-LBPRGKRZSA-N 2 2 236.359 2.091 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237384787 979882295 /nfs/dbraw/zinc/88/22/95/979882295.db2.gz YFHQZPHYFDDBFJ-WFASDCNBSA-N 2 2 248.370 2.416 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237384787 979882301 /nfs/dbraw/zinc/88/23/01/979882301.db2.gz YFHQZPHYFDDBFJ-WFASDCNBSA-N 2 2 248.370 2.416 20 0 BEADLP C[NH+](C)CCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250159968 980115129 /nfs/dbraw/zinc/11/51/29/980115129.db2.gz UYELLVPFNZQKCZ-UHFFFAOYSA-N 2 2 229.327 2.036 20 0 BEADLP c1[nH+]cn2c1cccc2C[NH+]1CC2(CCC2)C1 ZINC001238105060 980154474 /nfs/dbraw/zinc/15/44/74/980154474.db2.gz BORWNBBBYHASBT-UHFFFAOYSA-N 2 2 227.311 2.320 20 0 BEADLP Cc1cnc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001238435446 980261405 /nfs/dbraw/zinc/26/14/05/980261405.db2.gz UINHVHFEFGXAGE-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cnc(C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC001238435446 980261411 /nfs/dbraw/zinc/26/14/11/980261411.db2.gz UINHVHFEFGXAGE-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cn2c(cccc2C2=CCC[NH2+]CC2)[nH+]1 ZINC001238939482 980375835 /nfs/dbraw/zinc/37/58/35/980375835.db2.gz GDFQGPONUVRKHE-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP Cc1[nH+]ccc(C2=CCC[NH2+]CC2)c1C ZINC001238944453 980381523 /nfs/dbraw/zinc/38/15/23/980381523.db2.gz IZGJONAOPNFMLO-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP CNc1cc(CC[NH+]2CCCCC2)cc[nH+]1 ZINC001250242088 980382162 /nfs/dbraw/zinc/38/21/62/980382162.db2.gz NIVRSYPRLGXJCI-UHFFFAOYSA-N 2 2 219.332 2.152 20 0 BEADLP CC[NH+](CC)CCn1cc(/C(C)=C/C=C/[NH3+])cn1 ZINC001239207135 980497662 /nfs/dbraw/zinc/49/76/62/980497662.db2.gz KNZXANNQLZOILD-NQSFVOBFSA-N 2 2 248.374 2.101 20 0 BEADLP Cn1c[nH+]cc1-c1ccccc1C[NH+](C)C ZINC001239681508 980841278 /nfs/dbraw/zinc/84/12/78/980841278.db2.gz JUBTWUOCWMQWLQ-UHFFFAOYSA-N 2 2 215.300 2.149 20 0 BEADLP Cc1c(-c2cncc(C[NH3+])c2)ccc2[nH+]ccn21 ZINC001239809011 980949661 /nfs/dbraw/zinc/94/96/61/980949661.db2.gz MCPZWOPDDNLQHV-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP [NH3+]Cc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218082 981165760 /nfs/dbraw/zinc/16/57/60/981165760.db2.gz ZPAOHLGASPLIQX-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP CC(C)c1nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cs1 ZINC001349319271 981533524 /nfs/dbraw/zinc/53/35/24/981533524.db2.gz NAFPXRXHROBBHK-NXEZZACHSA-N 2 2 241.404 2.482 20 0 BEADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC001203789410 981588984 /nfs/dbraw/zinc/58/89/84/981588984.db2.gz XNHYVPAQTFSVEU-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC001203789410 981588991 /nfs/dbraw/zinc/58/89/91/981588991.db2.gz XNHYVPAQTFSVEU-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC001203789410 981589003 /nfs/dbraw/zinc/58/90/03/981589003.db2.gz XNHYVPAQTFSVEU-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC001203789410 981589013 /nfs/dbraw/zinc/58/90/13/981589013.db2.gz XNHYVPAQTFSVEU-OKILXGFUSA-N 2 2 248.345 2.209 20 0 BEADLP C(c1ccn2cc[nH+]c2c1)=C1CC[NH2+]CC1 ZINC001240876196 981922361 /nfs/dbraw/zinc/92/23/61/981922361.db2.gz VINKJAKMDJFFPH-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP C(=C1CC[NH2+]CC1)c1cccc2[nH+]ccn21 ZINC001240877779 981930373 /nfs/dbraw/zinc/93/03/73/981930373.db2.gz HLUGQDPXPBKROT-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP C[N@@H+]1CCc2cc(-c3cc[nH+]c(N)c3)ccc2C1 ZINC001241169534 982312924 /nfs/dbraw/zinc/31/29/24/982312924.db2.gz DGNXKWATJIWSNT-UHFFFAOYSA-N 2 2 239.322 2.319 20 0 BEADLP C[N@H+]1CCc2cc(-c3cc[nH+]c(N)c3)ccc2C1 ZINC001241169534 982312932 /nfs/dbraw/zinc/31/29/32/982312932.db2.gz DGNXKWATJIWSNT-UHFFFAOYSA-N 2 2 239.322 2.319 20 0 BEADLP C[NH2+]Cc1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241170208 982315655 /nfs/dbraw/zinc/31/56/55/982315655.db2.gz XSAIFLRDDQQALX-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP C[C@@H]([NH3+])c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241175606 982323705 /nfs/dbraw/zinc/32/37/05/982323705.db2.gz GQMPQBQPNAIDAI-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP [NH3+]C[C@H]1C[N@H+](Cc2cccs2)CCC1(F)F ZINC001205761652 982405569 /nfs/dbraw/zinc/40/55/69/982405569.db2.gz JALSOZMCICNQHU-VIFPVBQESA-N 2 2 246.326 2.164 20 0 BEADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccs2)CCC1(F)F ZINC001205761652 982405573 /nfs/dbraw/zinc/40/55/73/982405573.db2.gz JALSOZMCICNQHU-VIFPVBQESA-N 2 2 246.326 2.164 20 0 BEADLP Cc1cc(C2=CC[N@H+](C)CC2)c2[nH+]ccn2c1 ZINC001241322346 982484483 /nfs/dbraw/zinc/48/44/83/982484483.db2.gz LYZMXXYGMWABGG-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cc(C2=CC[N@@H+](C)CC2)c2[nH+]ccn2c1 ZINC001241322346 982484487 /nfs/dbraw/zinc/48/44/87/982484487.db2.gz LYZMXXYGMWABGG-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1c(C2=CC[N@H+](C)CC2)ccc2[nH+]ccn21 ZINC001241333162 982499880 /nfs/dbraw/zinc/49/98/80/982499880.db2.gz SKYSIEDVLGSFBC-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1c(C2=CC[N@@H+](C)CC2)ccc2[nH+]ccn21 ZINC001241333162 982499882 /nfs/dbraw/zinc/49/98/82/982499882.db2.gz SKYSIEDVLGSFBC-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205804092 982559617 /nfs/dbraw/zinc/55/96/17/982559617.db2.gz LPONOTANCZVDJV-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205804092 982559623 /nfs/dbraw/zinc/55/96/23/982559623.db2.gz LPONOTANCZVDJV-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205806295 982569883 /nfs/dbraw/zinc/56/98/83/982569883.db2.gz TVAHUWLSWREWSZ-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205806295 982569888 /nfs/dbraw/zinc/56/98/88/982569888.db2.gz TVAHUWLSWREWSZ-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805810 982572454 /nfs/dbraw/zinc/57/24/54/982572454.db2.gz RXWAIZKLCMCUQF-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205805810 982572458 /nfs/dbraw/zinc/57/24/58/982572458.db2.gz RXWAIZKLCMCUQF-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])ccc1O ZINC001205827017 982656249 /nfs/dbraw/zinc/65/62/49/982656249.db2.gz FNLVCFFXYBNUEG-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])ccc1O ZINC001205827017 982656253 /nfs/dbraw/zinc/65/62/53/982656253.db2.gz FNLVCFFXYBNUEG-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)n1 ZINC001205838875 982725776 /nfs/dbraw/zinc/72/57/76/982725776.db2.gz DJTKVHWMZBVHCI-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)n1 ZINC001205838875 982725789 /nfs/dbraw/zinc/72/57/89/982725789.db2.gz DJTKVHWMZBVHCI-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C2=CCC[N@@H+](C)C2)cn2cc[nH+]c12 ZINC001241571021 982823712 /nfs/dbraw/zinc/82/37/12/982823712.db2.gz SSHXBCJZOUHLCZ-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cc(C2=CCC[N@H+](C)C2)cn2cc[nH+]c12 ZINC001241571021 982823714 /nfs/dbraw/zinc/82/37/14/982823714.db2.gz SSHXBCJZOUHLCZ-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP COc1c(C)c[nH+]c(CNc2cc[nH+]cc2)c1C ZINC001354018470 983115776 /nfs/dbraw/zinc/11/57/76/983115776.db2.gz FCFYMJFQWHMGEZ-UHFFFAOYSA-N 2 2 243.310 2.136 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001354222015 983202388 /nfs/dbraw/zinc/20/23/88/983202388.db2.gz WLXKRTVGBLSDPK-MLGOLLRUSA-N 2 2 244.382 2.405 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201429824 983228458 /nfs/dbraw/zinc/22/84/58/983228458.db2.gz XGXFRVGILRDPKA-KFWWJZLASA-N 2 2 234.387 2.369 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201429824 983228463 /nfs/dbraw/zinc/22/84/63/983228463.db2.gz XGXFRVGILRDPKA-KFWWJZLASA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201429824 983228472 /nfs/dbraw/zinc/22/84/72/983228472.db2.gz XGXFRVGILRDPKA-KFWWJZLASA-N 2 2 234.387 2.369 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@@H]21 ZINC001201429824 983228478 /nfs/dbraw/zinc/22/84/78/983228478.db2.gz XGXFRVGILRDPKA-KFWWJZLASA-N 2 2 234.387 2.369 20 0 BEADLP COCC[N@H+](CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001201440572 983245698 /nfs/dbraw/zinc/24/56/98/983245698.db2.gz TWLNHVDCJRBMTB-UHFFFAOYSA-N 2 2 242.407 2.075 20 0 BEADLP COCC[N@@H+](CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001201440572 983245712 /nfs/dbraw/zinc/24/57/12/983245712.db2.gz TWLNHVDCJRBMTB-UHFFFAOYSA-N 2 2 242.407 2.075 20 0 BEADLP CC[C@H](C)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201508995 983272073 /nfs/dbraw/zinc/27/20/73/983272073.db2.gz LIOJIKSIWNPNDZ-ZDUSSCGKSA-N 2 2 242.407 2.075 20 0 BEADLP CC[C@H](C)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201508995 983272082 /nfs/dbraw/zinc/27/20/82/983272082.db2.gz LIOJIKSIWNPNDZ-ZDUSSCGKSA-N 2 2 242.407 2.075 20 0 BEADLP CC[C@H](C)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201516952 983313157 /nfs/dbraw/zinc/31/31/57/983313157.db2.gz HREJGPUGYWVADR-AVGNSLFASA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201516952 983313165 /nfs/dbraw/zinc/31/31/65/983313165.db2.gz HREJGPUGYWVADR-AVGNSLFASA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201516952 983313172 /nfs/dbraw/zinc/31/31/72/983313172.db2.gz HREJGPUGYWVADR-AVGNSLFASA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201516952 983313184 /nfs/dbraw/zinc/31/31/84/983313184.db2.gz HREJGPUGYWVADR-AVGNSLFASA-N 2 2 210.365 2.059 20 0 BEADLP CCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201737328 983444863 /nfs/dbraw/zinc/44/48/63/983444863.db2.gz IQEHDCHAHXTDRX-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201737328 983444879 /nfs/dbraw/zinc/44/48/79/983444879.db2.gz IQEHDCHAHXTDRX-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201737328 983444896 /nfs/dbraw/zinc/44/48/96/983444896.db2.gz IQEHDCHAHXTDRX-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201737328 983444909 /nfs/dbraw/zinc/44/49/09/983444909.db2.gz IQEHDCHAHXTDRX-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849014 984184117 /nfs/dbraw/zinc/18/41/17/984184117.db2.gz AARZDIBUAXYBMX-WCQYABFASA-N 2 2 243.354 2.256 20 0 BEADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275044964 984448042 /nfs/dbraw/zinc/44/80/42/984448042.db2.gz INZHGAJHAJNYTI-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275044964 984448053 /nfs/dbraw/zinc/44/80/53/984448053.db2.gz INZHGAJHAJNYTI-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275044964 984448074 /nfs/dbraw/zinc/44/80/74/984448074.db2.gz INZHGAJHAJNYTI-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275044964 984448088 /nfs/dbraw/zinc/44/80/88/984448088.db2.gz INZHGAJHAJNYTI-OAHLLOKOSA-N 2 2 247.386 2.323 20 0 BEADLP [NH3+]CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(F)F ZINC001580284801 984496787 /nfs/dbraw/zinc/49/67/87/984496787.db2.gz SMFLTJZINMOLHL-LMLFDSFASA-N 2 2 232.318 2.137 20 0 BEADLP C[N@H+](C[C@@H]1CC[NH2+]1)CC(C)(C)Oc1ccccc1 ZINC001578457037 985087556 /nfs/dbraw/zinc/08/75/56/985087556.db2.gz SYVILDDUACJFSI-ZDUSSCGKSA-N 2 2 248.370 2.138 20 0 BEADLP C[N@@H+](C[C@@H]1CC[NH2+]1)CC(C)(C)Oc1ccccc1 ZINC001578457037 985087570 /nfs/dbraw/zinc/08/75/70/985087570.db2.gz SYVILDDUACJFSI-ZDUSSCGKSA-N 2 2 248.370 2.138 20 0 BEADLP [NH3+][C@H](C[NH2+]C1CCCC1)c1ccccc1 ZINC000040408866 985139299 /nfs/dbraw/zinc/13/92/99/985139299.db2.gz MGDNYURHPAKPPM-CYBMUJFWSA-N 2 2 204.317 2.219 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001258200628 985605083 /nfs/dbraw/zinc/60/50/83/985605083.db2.gz UWJUIFCVKVIGPV-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258200625 985604296 /nfs/dbraw/zinc/60/42/96/985604296.db2.gz UWJUIFCVKVIGPV-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001258213481 985642510 /nfs/dbraw/zinc/64/25/10/985642510.db2.gz QLQXLMPROPUQCZ-LLVKDONJSA-N 2 2 240.372 2.192 20 0 BEADLP CSCC[C@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001258216286 985650510 /nfs/dbraw/zinc/65/05/10/985650510.db2.gz WFFVRNBBZVEXEG-JTQLQIEISA-N 2 2 239.388 2.149 20 0 BEADLP CSCC[C@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001258216286 985650515 /nfs/dbraw/zinc/65/05/15/985650515.db2.gz WFFVRNBBZVEXEG-JTQLQIEISA-N 2 2 239.388 2.149 20 0 BEADLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC001579212151 985819538 /nfs/dbraw/zinc/81/95/38/985819538.db2.gz JTXJCEZZYNVPQB-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])c(C)c1 ZINC001579212151 985819549 /nfs/dbraw/zinc/81/95/49/985819549.db2.gz JTXJCEZZYNVPQB-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP CSC1(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC001579365926 985860518 /nfs/dbraw/zinc/86/05/18/985860518.db2.gz XDGLDUYAWCRJEJ-CHWSQXEVSA-N 2 2 248.395 2.096 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001579467735 985969565 /nfs/dbraw/zinc/96/95/65/985969565.db2.gz WGOGVPOZPRUOSH-MLGOLLRUSA-N 2 2 244.382 2.263 20 0 BEADLP CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC001460997906 985995448 /nfs/dbraw/zinc/99/54/48/985995448.db2.gz WAALCMMTWWFUHB-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cccc(C)c1C[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276362957 986076152 /nfs/dbraw/zinc/07/61/52/986076152.db2.gz PNWLLWHHVFVPRM-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP Cc1cccc(C)c1C[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276362957 986076166 /nfs/dbraw/zinc/07/61/66/986076166.db2.gz PNWLLWHHVFVPRM-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP Cc1cc(C)cc(CC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001579579583 986096254 /nfs/dbraw/zinc/09/62/54/986096254.db2.gz IARGMHYFTAAXEW-HNNXBMFYSA-N 2 2 232.371 2.269 20 0 BEADLP Cc1cc(C)cc(CC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC001579579583 986096268 /nfs/dbraw/zinc/09/62/68/986096268.db2.gz IARGMHYFTAAXEW-HNNXBMFYSA-N 2 2 232.371 2.269 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC001462248241 986326688 /nfs/dbraw/zinc/32/66/88/986326688.db2.gz OGRPANFRAFQZRX-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC001462248241 986326699 /nfs/dbraw/zinc/32/66/99/986326699.db2.gz OGRPANFRAFQZRX-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000378809806 986615144 /nfs/dbraw/zinc/61/51/44/986615144.db2.gz ZLGQSFAOTMOYCX-ZDUSSCGKSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC000378809806 986615159 /nfs/dbraw/zinc/61/51/59/986615159.db2.gz ZLGQSFAOTMOYCX-ZDUSSCGKSA-N 2 2 240.297 2.278 20 0 BEADLP Cc1cn2c(cccc2-c2ccncc2C[NH3+])[nH+]1 ZINC001245557686 986945627 /nfs/dbraw/zinc/94/56/27/986945627.db2.gz HULXKQRRKDZSRN-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP CCCCC[C@@H](O)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053274 987343862 /nfs/dbraw/zinc/34/38/62/987343862.db2.gz RBUYHWRCPURNOD-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCC[C@@H](O)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053274 987343870 /nfs/dbraw/zinc/34/38/70/987343870.db2.gz RBUYHWRCPURNOD-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC(CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246078351 987353642 /nfs/dbraw/zinc/35/36/42/987353642.db2.gz APGQHHYIZWYGSX-NWDGAFQWSA-N 2 2 216.344 2.245 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc2c1CCC2 ZINC001246079952 987370909 /nfs/dbraw/zinc/37/09/09/987370909.db2.gz LOZIDCNYEQSOBT-MRXNPFEDSA-N 2 2 244.382 2.407 20 0 BEADLP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246085715 987384796 /nfs/dbraw/zinc/38/47/96/987384796.db2.gz AOINVDDQAXGZKU-KGLIPLIRSA-N 2 2 242.407 2.169 20 0 BEADLP CCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246086517 987386009 /nfs/dbraw/zinc/38/60/09/987386009.db2.gz CYNRMLKHCOIEPS-KBPBESRZSA-N 2 2 242.407 2.313 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090731 987396780 /nfs/dbraw/zinc/39/67/80/987396780.db2.gz YOSLBPYGJHCCKA-IHRRRGAJSA-N 2 2 242.407 2.169 20 0 BEADLP CCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246094655 987404894 /nfs/dbraw/zinc/40/48/94/987404894.db2.gz XBEOQPPDSYJXDO-UONOGXRCSA-N 2 2 242.407 2.313 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)C[C@@H]1C ZINC001246101590 987425235 /nfs/dbraw/zinc/42/52/35/987425235.db2.gz VSOCZIRTRBZEQW-QNWJLWSRSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106235 987439559 /nfs/dbraw/zinc/43/95/59/987439559.db2.gz OQLPKGABNBPREF-FRRDWIJNSA-N 2 2 236.359 2.188 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246113338 987448617 /nfs/dbraw/zinc/44/86/17/987448617.db2.gz STUKLPIHNUCHDC-XQQFMLRXSA-N 2 2 230.371 2.491 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246115890 987454521 /nfs/dbraw/zinc/45/45/21/987454521.db2.gz SZJMREKMUFLTPA-KXUCPTDWSA-N 2 2 238.297 2.305 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246121592 987466590 /nfs/dbraw/zinc/46/65/90/987466590.db2.gz LRHGBZCYJSNEGX-FRRDWIJNSA-N 2 2 228.380 2.051 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001246176395 987542627 /nfs/dbraw/zinc/54/26/27/987542627.db2.gz PPRXCIIUNWHWHN-OUCADQQQSA-N 2 2 218.344 2.478 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116428224 987567667 /nfs/dbraw/zinc/56/76/67/987567667.db2.gz AYUFJLNTFQNEDU-KBPBESRZSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116428224 987567679 /nfs/dbraw/zinc/56/76/79/987567679.db2.gz AYUFJLNTFQNEDU-KBPBESRZSA-N 2 2 233.359 2.395 20 0 BEADLP CCC[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001473859269 987587386 /nfs/dbraw/zinc/58/73/86/987587386.db2.gz FQCMOPZUTGBCSI-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP CCC[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC001473859269 987587393 /nfs/dbraw/zinc/58/73/93/987587393.db2.gz FQCMOPZUTGBCSI-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]2c2ccccc2)C[NH2+]1 ZINC001246212053 987609633 /nfs/dbraw/zinc/60/96/33/987609633.db2.gz PIRZHRNBMZNOKF-RZFFKMDDSA-N 2 2 230.355 2.273 20 0 BEADLP C[C@@H](C[NH2+]C1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC001473932939 987619453 /nfs/dbraw/zinc/61/94/53/987619453.db2.gz GRJXWYRRJHZKAK-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH2+]C1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC001473932939 987619459 /nfs/dbraw/zinc/61/94/59/987619459.db2.gz GRJXWYRRJHZKAK-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282639 987675177 /nfs/dbraw/zinc/67/51/77/987675177.db2.gz TWIRTCFGDDNTAR-KAOXEZKKSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(N)cc1 ZINC001246298121 987694595 /nfs/dbraw/zinc/69/45/95/987694595.db2.gz TUHWTVFAMJHBHK-WDMOLILDSA-N 2 2 233.359 2.060 20 0 BEADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccncc1 ZINC001246323814 987730610 /nfs/dbraw/zinc/73/06/10/987730610.db2.gz FVHFQFCUVQKDSS-KBPBESRZSA-N 2 2 233.359 2.264 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC001246323827 987731784 /nfs/dbraw/zinc/73/17/84/987731784.db2.gz FVHFQFCUVQKDSS-ZIAGYGMSSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2noc3ccccc23)CC[NH2+]1 ZINC001246335552 987742178 /nfs/dbraw/zinc/74/21/78/987742178.db2.gz RKCDYWJTHPAWKM-WDEREUQCSA-N 2 2 245.326 2.058 20 0 BEADLP C[C@H]1CC([NH2+]C[C@H]2CSCC[NH2+]2)C[C@H](C)C1 ZINC001246335896 987745986 /nfs/dbraw/zinc/74/59/86/987745986.db2.gz JXFYJJOZVJLMHY-WZRBSPASSA-N 2 2 242.432 2.106 20 0 BEADLP CCC1CCC([NH2+]C[C@@H]2CSCC[NH2+]2)CC1 ZINC001246337636 987746184 /nfs/dbraw/zinc/74/61/84/987746184.db2.gz UOLRHYPINIGTLG-WXRRBKDZSA-N 2 2 242.432 2.250 20 0 BEADLP C[C@H]1CC([NH2+]C[C@@H]2CSCC[NH2+]2)C[C@H](C)C1 ZINC001246335895 987746853 /nfs/dbraw/zinc/74/68/53/987746853.db2.gz JXFYJJOZVJLMHY-NQBHXWOUSA-N 2 2 242.432 2.106 20 0 BEADLP CC1(C)CCC([NH2+]C[C@@H]2CSCC[NH2+]2)CC1 ZINC001246338611 987749567 /nfs/dbraw/zinc/74/95/67/987749567.db2.gz ZYRHCHOLKLNLGV-GFCCVEGCSA-N 2 2 242.432 2.250 20 0 BEADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246345612 987757045 /nfs/dbraw/zinc/75/70/45/987757045.db2.gz AYOJFBUYTDNENF-WFASDCNBSA-N 2 2 246.354 2.024 20 0 BEADLP Fc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC001246357052 987765299 /nfs/dbraw/zinc/76/52/99/987765299.db2.gz IQEGGOJGVUSXOW-CHWSQXEVSA-N 2 2 248.345 2.025 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]C(C)(C)Cc2ccncc2)C[NH2+]1 ZINC001246408993 987789252 /nfs/dbraw/zinc/78/92/52/987789252.db2.gz UGDSRWFRVFNCCX-JSGCOSHPSA-N 2 2 247.386 2.133 20 0 BEADLP Fc1ccccc1CC1([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246440443 987798239 /nfs/dbraw/zinc/79/82/39/987798239.db2.gz UBUATPUKZRQQSJ-ZDUSSCGKSA-N 2 2 248.345 2.242 20 0 BEADLP Cn1ccc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc21 ZINC001246471937 987828306 /nfs/dbraw/zinc/82/83/06/987828306.db2.gz WBAYPXLNQOAVJQ-AWEZNQCLSA-N 2 2 243.354 2.020 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3sccc32)C[NH2+]1 ZINC001246478161 987834864 /nfs/dbraw/zinc/83/48/64/987834864.db2.gz LRROKOXPBVEPJQ-SCVCMEIPSA-N 2 2 236.384 2.466 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246532592 987890565 /nfs/dbraw/zinc/89/05/65/987890565.db2.gz WZXJGHNFBHNYJP-SWLSCSKDSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246532592 987890571 /nfs/dbraw/zinc/89/05/71/987890571.db2.gz WZXJGHNFBHNYJP-SWLSCSKDSA-N 2 2 248.345 2.106 20 0 BEADLP CCCCC[C@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246557577 987976351 /nfs/dbraw/zinc/97/63/51/987976351.db2.gz MXDOAVQGXTXKOB-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246557577 987976358 /nfs/dbraw/zinc/97/63/58/987976358.db2.gz MXDOAVQGXTXKOB-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cccc2c1C[N@H+]([C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246569023 988043214 /nfs/dbraw/zinc/04/32/14/988043214.db2.gz UPWIGPLXTNBPFT-OCCSQVGLSA-N 2 2 230.355 2.451 20 0 BEADLP Cc1cccc2c1C[N@@H+]([C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246569023 988043231 /nfs/dbraw/zinc/04/32/31/988043231.db2.gz UPWIGPLXTNBPFT-OCCSQVGLSA-N 2 2 230.355 2.451 20 0 BEADLP C[C@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569679 988049967 /nfs/dbraw/zinc/04/99/67/988049967.db2.gz RSFOLKJBXAYPHK-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP C[C@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569679 988049979 /nfs/dbraw/zinc/04/99/79/988049979.db2.gz RSFOLKJBXAYPHK-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP CCSC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576373 988081181 /nfs/dbraw/zinc/08/11/81/988081181.db2.gz JXODDQZQNPSWQW-RYUDHWBXSA-N 2 2 248.411 2.281 20 0 BEADLP CCSC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246576373 988081198 /nfs/dbraw/zinc/08/11/98/988081198.db2.gz JXODDQZQNPSWQW-RYUDHWBXSA-N 2 2 248.411 2.281 20 0 BEADLP CCCC1CCC([NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001246613655 988239268 /nfs/dbraw/zinc/23/92/68/988239268.db2.gz KTLQPUIZXVYIPE-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CCC[C@@H](Cc1ccccc1)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246614602 988248339 /nfs/dbraw/zinc/24/83/39/988248339.db2.gz PEOXBBZDRBNSGY-HNNXBMFYSA-N 2 2 244.382 2.303 20 0 BEADLP C[C@@H](Cc1ccco1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246642305 988346797 /nfs/dbraw/zinc/34/67/97/988346797.db2.gz IGXSBXMMCOOIDW-ZFWWWQNUSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246642305 988346812 /nfs/dbraw/zinc/34/68/12/988346812.db2.gz IGXSBXMMCOOIDW-ZFWWWQNUSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642304 988351687 /nfs/dbraw/zinc/35/16/87/988351687.db2.gz IGXSBXMMCOOIDW-UKRRQHHQSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246642304 988351699 /nfs/dbraw/zinc/35/16/99/988351699.db2.gz IGXSBXMMCOOIDW-UKRRQHHQSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863557 988610315 /nfs/dbraw/zinc/61/03/15/988610315.db2.gz QPRLIPPBQSKXJZ-WCQYABFASA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863557 988610328 /nfs/dbraw/zinc/61/03/28/988610328.db2.gz QPRLIPPBQSKXJZ-WCQYABFASA-N 2 2 248.345 2.324 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001246917518 988720698 /nfs/dbraw/zinc/72/06/98/988720698.db2.gz RHZHOQJCGPHYRU-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001246917518 988720706 /nfs/dbraw/zinc/72/07/06/988720706.db2.gz RHZHOQJCGPHYRU-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001246917723 988721390 /nfs/dbraw/zinc/72/13/90/988721390.db2.gz SLWBUNUJRMGGJC-OLZOCXBDSA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001246917723 988721400 /nfs/dbraw/zinc/72/14/00/988721400.db2.gz SLWBUNUJRMGGJC-OLZOCXBDSA-N 2 2 248.395 2.127 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246920636 988724402 /nfs/dbraw/zinc/72/44/02/988724402.db2.gz QDZVVTLBVVZSMD-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246920636 988724409 /nfs/dbraw/zinc/72/44/09/988724409.db2.gz QDZVVTLBVVZSMD-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)(C)C1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246920177 988731800 /nfs/dbraw/zinc/73/18/00/988731800.db2.gz PBCAMAVKPBJXOL-BLYZHGLHSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)C1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246920177 988731821 /nfs/dbraw/zinc/73/18/21/988731821.db2.gz PBCAMAVKPBJXOL-BLYZHGLHSA-N 2 2 236.403 2.495 20 0 BEADLP CCCCCC[C@H](CC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982139 988801463 /nfs/dbraw/zinc/80/14/63/988801463.db2.gz CJELLZREWJRMKO-MELADBBJSA-N 2 2 242.407 2.393 20 0 BEADLP CCCCCC[C@H](CC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982139 988801466 /nfs/dbraw/zinc/80/14/66/988801466.db2.gz CJELLZREWJRMKO-MELADBBJSA-N 2 2 242.407 2.393 20 0 BEADLP CCCC1CCC([N@H+]2C[C@@H](OC)[C@@H]([NH3+])C2)CC1 ZINC001246982963 988814288 /nfs/dbraw/zinc/81/42/88/988814288.db2.gz LMQAVQSDVZGADD-CLRIEMFWSA-N 2 2 240.391 2.003 20 0 BEADLP CCCC1CCC([N@@H+]2C[C@@H](OC)[C@@H]([NH3+])C2)CC1 ZINC001246982963 988814290 /nfs/dbraw/zinc/81/42/90/988814290.db2.gz LMQAVQSDVZGADD-CLRIEMFWSA-N 2 2 240.391 2.003 20 0 BEADLP CCCCC[C@@H](CCC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983502 988815369 /nfs/dbraw/zinc/81/53/69/988815369.db2.gz SMWBDHIOFFWJKB-HZSPNIEDSA-N 2 2 242.407 2.393 20 0 BEADLP CCCCC[C@@H](CCC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246983502 988815370 /nfs/dbraw/zinc/81/53/70/988815370.db2.gz SMWBDHIOFFWJKB-HZSPNIEDSA-N 2 2 242.407 2.393 20 0 BEADLP CO[C@@H]1C[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983889 988815516 /nfs/dbraw/zinc/81/55/16/988815516.db2.gz VTJDXDOLENTBCH-XDQVBPFNSA-N 2 2 242.407 2.105 20 0 BEADLP CO[C@@H]1C[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983889 988815520 /nfs/dbraw/zinc/81/55/20/988815520.db2.gz VTJDXDOLENTBCH-XDQVBPFNSA-N 2 2 242.407 2.105 20 0 BEADLP CCCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990814 988824201 /nfs/dbraw/zinc/82/42/01/988824201.db2.gz RHSSGTPGGHYZGE-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP CCCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990814 988824204 /nfs/dbraw/zinc/82/42/04/988824204.db2.gz RHSSGTPGGHYZGE-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP COc1cc2[nH+]c(CCC[NH3+])[nH]c2cc1Cl ZINC001247012078 988839849 /nfs/dbraw/zinc/83/98/49/988839849.db2.gz ZEABDVCICJHGBR-UHFFFAOYSA-N 2 2 239.706 2.116 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001119348132 988995480 /nfs/dbraw/zinc/99/54/80/988995480.db2.gz WEZSBJDQVPCWBF-MJVIPROJSA-N 2 2 216.328 2.268 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001119348132 988995509 /nfs/dbraw/zinc/99/55/09/988995509.db2.gz WEZSBJDQVPCWBF-MJVIPROJSA-N 2 2 216.328 2.268 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC001119540129 989144905 /nfs/dbraw/zinc/14/49/05/989144905.db2.gz FTWBURQZLODQSD-YPMHNXCESA-N 2 2 246.354 2.370 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001326304744 989473643 /nfs/dbraw/zinc/47/36/43/989473643.db2.gz GJXZPDCBOJTADB-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001326304744 989473668 /nfs/dbraw/zinc/47/36/68/989473668.db2.gz GJXZPDCBOJTADB-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001326304744 989473685 /nfs/dbraw/zinc/47/36/85/989473685.db2.gz GJXZPDCBOJTADB-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001326304744 989473702 /nfs/dbraw/zinc/47/37/02/989473702.db2.gz GJXZPDCBOJTADB-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[NH+](CC)CC[C@H](C)Nc1cc[nH+]cc1F ZINC001120956235 989985910 /nfs/dbraw/zinc/98/59/10/989985910.db2.gz UUEANSFKXVJTMB-NSHDSACASA-N 2 2 239.338 2.175 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC(O)(CC)CC)C1 ZINC001308691729 991085709 /nfs/dbraw/zinc/08/57/09/991085709.db2.gz WMZMXIICAIDNCU-ZDUSSCGKSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCC(O)(CC)CC)C1 ZINC001308691729 991085719 /nfs/dbraw/zinc/08/57/19/991085719.db2.gz WMZMXIICAIDNCU-ZDUSSCGKSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+](CC(F)F)CC1CC[NH+](CC)CC1 ZINC001308672230 991093165 /nfs/dbraw/zinc/09/31/65/991093165.db2.gz JTKNBSKRMQDUHL-UHFFFAOYSA-N 2 2 234.334 2.305 20 0 BEADLP CC[N@@H+](CC(F)F)CC1CC[NH+](CC)CC1 ZINC001308672230 991093171 /nfs/dbraw/zinc/09/31/71/991093171.db2.gz JTKNBSKRMQDUHL-UHFFFAOYSA-N 2 2 234.334 2.305 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001206729735 991103357 /nfs/dbraw/zinc/10/33/57/991103357.db2.gz IWOLFFKDZUECMX-UHFFFAOYSA-N 2 2 230.355 2.345 20 0 BEADLP C[C@H](CC1CC1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258470915 991436299 /nfs/dbraw/zinc/43/62/99/991436299.db2.gz SOPMEKCZHAQHFB-XBFCOCLRSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258470915 991436307 /nfs/dbraw/zinc/43/63/07/991436307.db2.gz SOPMEKCZHAQHFB-XBFCOCLRSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258470915 991436313 /nfs/dbraw/zinc/43/63/13/991436313.db2.gz SOPMEKCZHAQHFB-XBFCOCLRSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258470915 991436318 /nfs/dbraw/zinc/43/63/18/991436318.db2.gz SOPMEKCZHAQHFB-XBFCOCLRSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccnc1 ZINC001258608490 991528415 /nfs/dbraw/zinc/52/84/15/991528415.db2.gz ADQWUCMNCKCTFW-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccnc1 ZINC001258608490 991528426 /nfs/dbraw/zinc/52/84/26/991528426.db2.gz ADQWUCMNCKCTFW-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001258613234 991538591 /nfs/dbraw/zinc/53/85/91/991538591.db2.gz MFPGBIFGNSOLHA-UKRRQHHQSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001258613234 991538604 /nfs/dbraw/zinc/53/86/04/991538604.db2.gz MFPGBIFGNSOLHA-UKRRQHHQSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258617382 991543949 /nfs/dbraw/zinc/54/39/49/991543949.db2.gz FKTKXJDMNNGNAV-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258617382 991543963 /nfs/dbraw/zinc/54/39/63/991543963.db2.gz FKTKXJDMNNGNAV-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258617394 991546989 /nfs/dbraw/zinc/54/69/89/991546989.db2.gz FKTKXJDMNNGNAV-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258617394 991546994 /nfs/dbraw/zinc/54/69/94/991546994.db2.gz FKTKXJDMNNGNAV-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258665383 991606377 /nfs/dbraw/zinc/60/63/77/991606377.db2.gz YBQVSARQBGAFTH-YNEHKIRRSA-N 2 2 228.380 2.051 20 0 BEADLP CCCCC[C@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001258664852 991606397 /nfs/dbraw/zinc/60/63/97/991606397.db2.gz SVZGDIWJBUPFHH-LBPRGKRZSA-N 2 2 228.380 2.053 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC001560969439 991672629 /nfs/dbraw/zinc/67/26/29/991672629.db2.gz OEGRLTSECTYKRC-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC001560969439 991672634 /nfs/dbraw/zinc/67/26/34/991672634.db2.gz OEGRLTSECTYKRC-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC001560969441 991673561 /nfs/dbraw/zinc/67/35/61/991673561.db2.gz OEGRLTSECTYKRC-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC001560969441 991673567 /nfs/dbraw/zinc/67/35/67/991673567.db2.gz OEGRLTSECTYKRC-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cncnc2)CC1 ZINC001258766050 991726491 /nfs/dbraw/zinc/72/64/91/991726491.db2.gz KGOAHGINAVIGCI-LBPRGKRZSA-N 2 2 248.374 2.002 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001258771670 991740990 /nfs/dbraw/zinc/74/09/90/991740990.db2.gz NTPBAFOUGGXIBY-VXGBXAGGSA-N 2 2 228.355 2.293 20 0 BEADLP CCC[NH+]1CCC([N@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001258771670 991740999 /nfs/dbraw/zinc/74/09/99/991740999.db2.gz NTPBAFOUGGXIBY-VXGBXAGGSA-N 2 2 228.355 2.293 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)C1(C)C ZINC001319634311 991914517 /nfs/dbraw/zinc/91/45/17/991914517.db2.gz BQWFFDDGOZSOAS-UHFFFAOYSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)C1(C)C ZINC001319634311 991914525 /nfs/dbraw/zinc/91/45/25/991914525.db2.gz BQWFFDDGOZSOAS-UHFFFAOYSA-N 2 2 221.348 2.312 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@@H]1CCC[NH2+]1 ZINC001261422665 992296284 /nfs/dbraw/zinc/29/62/84/992296284.db2.gz CGOQPYMDHDSUQR-WBMJQRKESA-N 2 2 244.382 2.405 20 0 BEADLP Cc1cc(Cl)cc(C)c1C[NH2+]CC[NH3+] ZINC001574136133 992811431 /nfs/dbraw/zinc/81/14/31/992811431.db2.gz BDIAJPRBXYJNBW-UHFFFAOYSA-N 2 2 212.724 2.005 20 0 BEADLP Cc1ccc(-c2ncc(C[NH2+]CC[NH3+])s2)cc1 ZINC001574149436 992814555 /nfs/dbraw/zinc/81/45/55/992814555.db2.gz LTNRTSMHZQODFM-UHFFFAOYSA-N 2 2 247.367 2.167 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc2c(n1)CCC2 ZINC001575418331 993037798 /nfs/dbraw/zinc/03/77/98/993037798.db2.gz PSRNLHVKCBKBBR-OAHLLOKOSA-N 2 2 247.386 2.033 20 0 BEADLP CCCCCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC000379444414 993244882 /nfs/dbraw/zinc/24/48/82/993244882.db2.gz SJUXCCFNPIWLBW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001576379939 993288136 /nfs/dbraw/zinc/28/81/36/993288136.db2.gz CXIXSHAEDTZCEP-NEPJUHHUSA-N 2 2 245.326 2.043 20 0 BEADLP CC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC000379922789 993292362 /nfs/dbraw/zinc/29/23/62/993292362.db2.gz IZAMSVUJRNHTBR-SNVBAGLBSA-N 2 2 203.289 2.222 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC001576476820 993315846 /nfs/dbraw/zinc/31/58/46/993315846.db2.gz MTZGTFVZKDVLCR-CQSZACIVSA-N 2 2 243.354 2.256 20 0 BEADLP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccns1 ZINC001576690347 993395695 /nfs/dbraw/zinc/39/56/95/993395695.db2.gz JSUYAIBZNQVRBC-CMPLNLGQSA-N 2 2 239.388 2.140 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc2c1OCC2 ZINC001577397224 993642427 /nfs/dbraw/zinc/64/24/27/993642427.db2.gz QPKIPFJNLWIDJU-CQSZACIVSA-N 2 2 248.370 2.229 20 0 BEADLP CC[N@H+](C[C@@H](CC(C)C)OC)[C@@H]1CCC[NH2+]C1 ZINC001577671572 993717719 /nfs/dbraw/zinc/71/77/19/993717719.db2.gz LKHCVFRONUBTBA-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C[C@@H](CC(C)C)OC)[C@@H]1CCC[NH2+]C1 ZINC001577671572 993717729 /nfs/dbraw/zinc/71/77/29/993717729.db2.gz LKHCVFRONUBTBA-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](C[C@H](CC(C)C)OC)[C@@H]1CCC[NH2+]C1 ZINC001577671570 993721566 /nfs/dbraw/zinc/72/15/66/993721566.db2.gz LKHCVFRONUBTBA-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C[C@H](CC(C)C)OC)[C@@H]1CCC[NH2+]C1 ZINC001577671570 993721583 /nfs/dbraw/zinc/72/15/83/993721583.db2.gz LKHCVFRONUBTBA-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620678726 1170147111 /nfs/dbraw/zinc/14/71/11/1170147111.db2.gz HMXYPXRGVUALPN-NSHDSACASA-N 2 2 221.348 2.398 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC001621197572 1170733484 /nfs/dbraw/zinc/73/34/84/1170733484.db2.gz LJLBABLTKAPICS-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC001621197572 1170733492 /nfs/dbraw/zinc/73/34/92/1170733492.db2.gz LJLBABLTKAPICS-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP C=C/C=C/CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001621502010 1170829120 /nfs/dbraw/zinc/82/91/20/1170829120.db2.gz JKIZFGLDPDVOGX-GFUIURDCSA-N 2 2 208.349 2.193 20 0 BEADLP C=C/C=C/CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001621502010 1170829126 /nfs/dbraw/zinc/82/91/26/1170829126.db2.gz JKIZFGLDPDVOGX-GFUIURDCSA-N 2 2 208.349 2.193 20 0 BEADLP COc1ccccc1C[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027994 1171162050 /nfs/dbraw/zinc/16/20/50/1171162050.db2.gz FJTXLJDCYYLIRG-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1C[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027994 1171162055 /nfs/dbraw/zinc/16/20/55/1171162055.db2.gz FJTXLJDCYYLIRG-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000044493223 1171385622 /nfs/dbraw/zinc/38/56/22/1171385622.db2.gz UNUVIMMWZMOAHP-LBPRGKRZSA-N 2 2 248.374 2.462 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)[NH+](C)C ZINC000070941035 398141665 /nfs/dbraw/zinc/14/16/65/398141665.db2.gz IXZLOWUZHHKAAI-NSHDSACASA-N 2 2 231.343 2.208 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000161521306 349459943 /nfs/dbraw/zinc/45/99/43/349459943.db2.gz TXRKSGRXSOHNDS-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000161521306 349459948 /nfs/dbraw/zinc/45/99/48/349459948.db2.gz TXRKSGRXSOHNDS-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000378721932 346813336 /nfs/dbraw/zinc/81/33/36/346813336.db2.gz GQHXOXSOCJSENT-LPWJVIDDSA-N 2 2 228.355 2.197 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000378721932 346813340 /nfs/dbraw/zinc/81/33/40/346813340.db2.gz GQHXOXSOCJSENT-LPWJVIDDSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C ZINC000161985264 538919971 /nfs/dbraw/zinc/91/99/71/538919971.db2.gz IHPIREZYIODRBR-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000161985264 538919972 /nfs/dbraw/zinc/91/99/72/538919972.db2.gz IHPIREZYIODRBR-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)s1 ZINC000235344419 178006795 /nfs/dbraw/zinc/00/67/95/178006795.db2.gz PGZVZRPTVRWWEC-PELKAZGASA-N 2 2 224.373 2.144 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(C)s1 ZINC000235344419 178006797 /nfs/dbraw/zinc/00/67/97/178006797.db2.gz PGZVZRPTVRWWEC-PELKAZGASA-N 2 2 224.373 2.144 20 0 BEADLP CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422907589 398157080 /nfs/dbraw/zinc/15/70/80/398157080.db2.gz XDOMMVWIHOKXDE-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP C[N@@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000042436888 398172496 /nfs/dbraw/zinc/17/24/96/398172496.db2.gz PEUVRUZQEOYIDY-LBPRGKRZSA-N 2 2 236.334 2.257 20 0 BEADLP C[N@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000042436888 398172500 /nfs/dbraw/zinc/17/25/00/398172500.db2.gz PEUVRUZQEOYIDY-LBPRGKRZSA-N 2 2 236.334 2.257 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(F)c1 ZINC000313277438 398180718 /nfs/dbraw/zinc/18/07/18/398180718.db2.gz DXIFIQOORZZZSC-LLVKDONJSA-N 2 2 247.317 2.453 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000415118783 398163455 /nfs/dbraw/zinc/16/34/55/398163455.db2.gz HPMDOFPTSFXHAV-NWDGAFQWSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000415118783 398163459 /nfs/dbraw/zinc/16/34/59/398163459.db2.gz HPMDOFPTSFXHAV-NWDGAFQWSA-N 2 2 212.381 2.480 20 0 BEADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC000072957093 398190457 /nfs/dbraw/zinc/19/04/57/398190457.db2.gz KERVKWPDDCWEDO-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC000072957093 398190462 /nfs/dbraw/zinc/19/04/62/398190462.db2.gz KERVKWPDDCWEDO-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC000072957093 398190465 /nfs/dbraw/zinc/19/04/65/398190465.db2.gz KERVKWPDDCWEDO-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC000072957093 398190469 /nfs/dbraw/zinc/19/04/69/398190469.db2.gz KERVKWPDDCWEDO-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC000072957096 398190551 /nfs/dbraw/zinc/19/05/51/398190551.db2.gz KERVKWPDDCWEDO-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccnc1 ZINC000072957096 398190553 /nfs/dbraw/zinc/19/05/53/398190553.db2.gz KERVKWPDDCWEDO-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccnc1 ZINC000072957096 398190558 /nfs/dbraw/zinc/19/05/58/398190558.db2.gz KERVKWPDDCWEDO-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccnc1 ZINC000072957096 398190562 /nfs/dbraw/zinc/19/05/62/398190562.db2.gz KERVKWPDDCWEDO-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP Cc1cc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc[nH+]1 ZINC000261555945 178134019 /nfs/dbraw/zinc/13/40/19/178134019.db2.gz BSUVVLQWWLXKQY-WCQYABFASA-N 2 2 247.342 2.236 20 0 BEADLP Cc1cc(NC2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000110117428 178154606 /nfs/dbraw/zinc/15/46/06/178154606.db2.gz HWPAURJEMOXDEC-UHFFFAOYSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000265340308 178167622 /nfs/dbraw/zinc/16/76/22/178167622.db2.gz IGXCVYWISMRPKO-NSHDSACASA-N 2 2 246.358 2.026 20 0 BEADLP Cc1cc(NC[C@@H]2CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000265340308 178167623 /nfs/dbraw/zinc/16/76/23/178167623.db2.gz IGXCVYWISMRPKO-NSHDSACASA-N 2 2 246.358 2.026 20 0 BEADLP CC[C@@H](C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000421381210 192324013 /nfs/dbraw/zinc/32/40/13/192324013.db2.gz MSDYGITXAHHULS-LLVKDONJSA-N 2 2 217.316 2.470 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000421391138 192327736 /nfs/dbraw/zinc/32/77/36/192327736.db2.gz WDWZFDPMPHCGBS-IAQYHMDHSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)nc(C)c2)C1 ZINC000421391138 192327737 /nfs/dbraw/zinc/32/77/37/192327737.db2.gz WDWZFDPMPHCGBS-IAQYHMDHSA-N 2 2 247.386 2.128 20 0 BEADLP CCc1nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs1 ZINC000430557683 398228086 /nfs/dbraw/zinc/22/80/86/398228086.db2.gz OEHICBQFZWGNBY-LBPRGKRZSA-N 2 2 241.404 2.169 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000044730067 178230655 /nfs/dbraw/zinc/23/06/55/178230655.db2.gz XPSHMHXKOODOAF-ZYHUDNBSSA-N 2 2 222.332 2.299 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(OCC[NH+](C)C)c1 ZINC000649430677 398233597 /nfs/dbraw/zinc/23/35/97/398233597.db2.gz LUGFXOQVNWSGPR-UHFFFAOYSA-N 2 2 245.326 2.028 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C[NH+](C)C)c(F)c1 ZINC000649437701 398239072 /nfs/dbraw/zinc/23/90/72/398239072.db2.gz AWFHFIGAVBLBBH-UHFFFAOYSA-N 2 2 233.290 2.288 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ncc[nH]1 ZINC000286040286 538943300 /nfs/dbraw/zinc/94/33/00/538943300.db2.gz JTICUFZKIFKWJI-LLVKDONJSA-N 2 2 230.315 2.006 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465928 136229035 /nfs/dbraw/zinc/22/90/35/136229035.db2.gz MXXKVFVNVVRDGN-OCCSQVGLSA-N 2 2 216.328 2.016 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000566088129 398251333 /nfs/dbraw/zinc/25/13/33/398251333.db2.gz BWRXRWXHIXUHLA-AWEZNQCLSA-N 2 2 248.370 2.272 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000040502607 343997758 /nfs/dbraw/zinc/99/77/58/343997758.db2.gz YEFSXEAWKAQKDX-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000040502607 343997759 /nfs/dbraw/zinc/99/77/59/343997759.db2.gz YEFSXEAWKAQKDX-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386252804 398264078 /nfs/dbraw/zinc/26/40/78/398264078.db2.gz SFAOCAATVLJXMA-JOYOIKCWSA-N 2 2 237.347 2.036 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386252804 398264081 /nfs/dbraw/zinc/26/40/81/398264081.db2.gz SFAOCAATVLJXMA-JOYOIKCWSA-N 2 2 237.347 2.036 20 0 BEADLP c1cn(CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000162177486 349585802 /nfs/dbraw/zinc/58/58/02/349585802.db2.gz VSUREAJQBDQDDZ-BETUJISGSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000162177486 349585804 /nfs/dbraw/zinc/58/58/04/349585804.db2.gz VSUREAJQBDQDDZ-BETUJISGSA-N 2 2 219.332 2.005 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000166888962 361858203 /nfs/dbraw/zinc/85/82/03/361858203.db2.gz OFLNRHPTQIRQNU-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000166888962 361858207 /nfs/dbraw/zinc/85/82/07/361858207.db2.gz OFLNRHPTQIRQNU-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000166889288 361857991 /nfs/dbraw/zinc/85/79/91/361857991.db2.gz OFLNRHPTQIRQNU-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000166889288 361857998 /nfs/dbraw/zinc/85/79/98/361857998.db2.gz OFLNRHPTQIRQNU-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)C(C)(C)C)n1C ZINC000583945627 342730637 /nfs/dbraw/zinc/73/06/37/342730637.db2.gz BEUXKJZWFRZEBW-SECBINFHSA-N 2 2 209.337 2.253 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000583332309 342735494 /nfs/dbraw/zinc/73/54/94/342735494.db2.gz CHQPRPIDPFEHOK-UHFFFAOYSA-N 2 2 243.354 2.350 20 0 BEADLP C/C=C/C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000624197329 342788628 /nfs/dbraw/zinc/78/86/28/342788628.db2.gz JKKOTEYZTVBFIJ-NSCUHMNNSA-N 2 2 245.370 2.212 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671880 538972193 /nfs/dbraw/zinc/97/21/93/538972193.db2.gz PHIOUENANNZHAT-CHWSQXEVSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671880 538972195 /nfs/dbraw/zinc/97/21/95/538972195.db2.gz PHIOUENANNZHAT-CHWSQXEVSA-N 2 2 248.370 2.440 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000630053403 361923344 /nfs/dbraw/zinc/92/33/44/361923344.db2.gz URZKKNXPBTYFSA-ZDUSSCGKSA-N 2 2 241.338 2.239 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C(C)(C)C[NH3+])c1 ZINC000630053606 361923383 /nfs/dbraw/zinc/92/33/83/361923383.db2.gz WRQQTLKJVTVCJH-UHFFFAOYSA-N 2 2 229.327 2.323 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381504562 539002948 /nfs/dbraw/zinc/00/29/48/539002948.db2.gz PTIQSOBIJFASTB-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381504562 539002950 /nfs/dbraw/zinc/00/29/50/539002950.db2.gz PTIQSOBIJFASTB-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccsc1 ZINC000035275257 342886649 /nfs/dbraw/zinc/88/66/49/342886649.db2.gz PPXMMCPKQKEIJY-JTQLQIEISA-N 2 2 221.329 2.123 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCCCC1 ZINC000035275503 342886868 /nfs/dbraw/zinc/88/68/68/342886868.db2.gz BRCCUYQMNOMPEU-LLVKDONJSA-N 2 2 207.321 2.194 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000580301867 346874663 /nfs/dbraw/zinc/87/46/63/346874663.db2.gz WIHMDADCDGRHDM-GFCCVEGCSA-N 2 2 236.359 2.264 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000037467956 342932765 /nfs/dbraw/zinc/93/27/65/342932765.db2.gz MYABEOKOYGZXEH-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000037467956 342932766 /nfs/dbraw/zinc/93/27/66/342932766.db2.gz MYABEOKOYGZXEH-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1cccnc1 ZINC000162374864 349676472 /nfs/dbraw/zinc/67/64/72/349676472.db2.gz AXWWUDBWTMUHRT-UHFFFAOYSA-N 2 2 244.342 2.189 20 0 BEADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1cccnc1 ZINC000162374864 349676474 /nfs/dbraw/zinc/67/64/74/349676474.db2.gz AXWWUDBWTMUHRT-UHFFFAOYSA-N 2 2 244.342 2.189 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313272861 259332703 /nfs/dbraw/zinc/33/27/03/259332703.db2.gz RTWCYFAREBWSAN-CHWSQXEVSA-N 2 2 235.375 2.379 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313268387 259332735 /nfs/dbraw/zinc/33/27/35/259332735.db2.gz LTABIDXVVBSJPJ-GFCCVEGCSA-N 2 2 223.364 2.234 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000178066122 536664854 /nfs/dbraw/zinc/66/48/54/536664854.db2.gz LDUAGECVTIAWCW-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000178066122 536664861 /nfs/dbraw/zinc/66/48/61/536664861.db2.gz LDUAGECVTIAWCW-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000562517644 323022502 /nfs/dbraw/zinc/02/25/02/323022502.db2.gz JYJIOHQXZGCHST-NDBYEHHHSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000562517644 323022503 /nfs/dbraw/zinc/02/25/03/323022503.db2.gz JYJIOHQXZGCHST-NDBYEHHHSA-N 2 2 240.391 2.015 20 0 BEADLP CCc1cc(N[C@@H](C)Cn2cc[nH+]c2)cc[nH+]1 ZINC000307766388 529559293 /nfs/dbraw/zinc/55/92/93/529559293.db2.gz DJQLGMMLLPJFRB-NSHDSACASA-N 2 2 230.315 2.341 20 0 BEADLP C[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000020203976 342976457 /nfs/dbraw/zinc/97/64/57/342976457.db2.gz VPGQZUDQYVYCTQ-CYBMUJFWSA-N 2 2 234.343 2.341 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCC1 ZINC000019960754 342964672 /nfs/dbraw/zinc/96/46/72/342964672.db2.gz LHEFBMICTIDDMN-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCCCC1 ZINC000019960754 342964673 /nfs/dbraw/zinc/96/46/73/342964673.db2.gz LHEFBMICTIDDMN-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1nc(C[NH2+]CC(C)(C)C[NH+](C)C)cs1 ZINC000020252887 342978508 /nfs/dbraw/zinc/97/85/08/342978508.db2.gz YORIKCUSHLZDHY-UHFFFAOYSA-N 2 2 241.404 2.129 20 0 BEADLP C[C@H](F)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351875401 136261085 /nfs/dbraw/zinc/26/10/85/136261085.db2.gz LPONVKOGHCQZDG-QWRGUYRKSA-N 2 2 225.311 2.337 20 0 BEADLP C[C@H](F)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351875401 136261086 /nfs/dbraw/zinc/26/10/86/136261086.db2.gz LPONVKOGHCQZDG-QWRGUYRKSA-N 2 2 225.311 2.337 20 0 BEADLP CC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000335909663 136262082 /nfs/dbraw/zinc/26/20/82/136262082.db2.gz IZSWBLPJFQKDEC-UHFFFAOYSA-N 2 2 227.311 2.324 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000494394285 529655934 /nfs/dbraw/zinc/65/59/34/529655934.db2.gz UWXQNXWAVDCVSW-LLVKDONJSA-N 2 2 245.326 2.143 20 0 BEADLP [NH3+][C@@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000049237916 343096929 /nfs/dbraw/zinc/09/69/29/343096929.db2.gz TUAHXAHNODBFNF-AWEZNQCLSA-N 2 2 230.355 2.465 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000156595303 343198751 /nfs/dbraw/zinc/19/87/51/343198751.db2.gz DHPONVZFNXOLAU-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000156595303 343198752 /nfs/dbraw/zinc/19/87/52/343198752.db2.gz DHPONVZFNXOLAU-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634687755 343241975 /nfs/dbraw/zinc/24/19/75/343241975.db2.gz YITPCCJMWVACNA-ZDUSSCGKSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687755 343241976 /nfs/dbraw/zinc/24/19/76/343241976.db2.gz YITPCCJMWVACNA-ZDUSSCGKSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cccc2ncccc12 ZINC000634688584 343249066 /nfs/dbraw/zinc/24/90/66/343249066.db2.gz WZOVCFVKJCJQAJ-WCQYABFASA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cccc2ncccc12 ZINC000634688584 343249067 /nfs/dbraw/zinc/24/90/67/343249067.db2.gz WZOVCFVKJCJQAJ-WCQYABFASA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000226790943 343264612 /nfs/dbraw/zinc/26/46/12/343264612.db2.gz ULSWXRVLIQITSQ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000226790943 343264615 /nfs/dbraw/zinc/26/46/15/343264615.db2.gz ULSWXRVLIQITSQ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C)CCC[N@H+](CC[NH2+]CC2CC2)C1 ZINC000069794261 343291001 /nfs/dbraw/zinc/29/10/01/343291001.db2.gz CSYIKMMLRPBELK-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC1(C)CCC[N@@H+](CC[NH2+]CC2CC2)C1 ZINC000069794261 343291003 /nfs/dbraw/zinc/29/10/03/343291003.db2.gz CSYIKMMLRPBELK-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)s1 ZINC000070600362 343333895 /nfs/dbraw/zinc/33/38/95/343333895.db2.gz UGLCHBSZAKFNHR-SSDOTTSWSA-N 2 2 218.753 2.228 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000035657940 343301637 /nfs/dbraw/zinc/30/16/37/343301637.db2.gz QSEAJSWVYCQMIJ-INIZCTEOSA-N 2 2 244.382 2.228 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000035657940 343301638 /nfs/dbraw/zinc/30/16/38/343301638.db2.gz QSEAJSWVYCQMIJ-INIZCTEOSA-N 2 2 244.382 2.228 20 0 BEADLP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000335600225 136294930 /nfs/dbraw/zinc/29/49/30/136294930.db2.gz WRMKUTQZDJNRQZ-NSHDSACASA-N 2 2 240.297 2.279 20 0 BEADLP C[C@@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+](C)C ZINC000038087757 343369858 /nfs/dbraw/zinc/36/98/58/343369858.db2.gz KLMWXTHINLDIQJ-GRTSSRMGSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000335635033 136300576 /nfs/dbraw/zinc/30/05/76/136300576.db2.gz IHRFYHUKGCXUKJ-KWQFWETISA-N 2 2 244.791 2.489 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000037249316 343340938 /nfs/dbraw/zinc/34/09/38/343340938.db2.gz LALOXNOYXVGCTC-LBPRGKRZSA-N 2 2 209.337 2.297 20 0 BEADLP CO[C@H](C)C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000348838448 136302275 /nfs/dbraw/zinc/30/22/75/136302275.db2.gz PJQCSBCLJNDBJO-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP CO[C@H](C)C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000348838448 136302276 /nfs/dbraw/zinc/30/22/76/136302276.db2.gz PJQCSBCLJNDBJO-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041063308 343414914 /nfs/dbraw/zinc/41/49/14/343414914.db2.gz JWXCLFXSQZBXFS-UHFFFAOYSA-N 2 2 229.327 2.290 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]CCn1cc[nH+]c1 ZINC000041064079 343414935 /nfs/dbraw/zinc/41/49/35/343414935.db2.gz ODBKVZMCEOTXRW-GFCCVEGCSA-N 2 2 233.315 2.087 20 0 BEADLP Cc1cccc(N2CC[C@H](c3[nH+]ccn3C)C2)[nH+]1 ZINC000335721480 136346282 /nfs/dbraw/zinc/34/62/82/136346282.db2.gz YWPDFURXIDIPIV-LBPRGKRZSA-N 2 2 242.326 2.117 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000335738772 136351719 /nfs/dbraw/zinc/35/17/19/136351719.db2.gz CYVYVYSECNOOLZ-NSHDSACASA-N 2 2 228.299 2.013 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC1(C)C ZINC000335714174 136338746 /nfs/dbraw/zinc/33/87/46/136338746.db2.gz JYMVLUIXCFXKKV-UHFFFAOYSA-N 2 2 207.321 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC1(C)C ZINC000335714174 136338747 /nfs/dbraw/zinc/33/87/47/136338747.db2.gz JYMVLUIXCFXKKV-UHFFFAOYSA-N 2 2 207.321 2.066 20 0 BEADLP COC(C)(C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000348035157 536887978 /nfs/dbraw/zinc/88/79/78/536887978.db2.gz CRYXQSPXTXOKPI-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP CCCC[C@@H](CC)[NH2+][C@H](C)C[NH+](C)C ZINC000130227394 136372533 /nfs/dbraw/zinc/37/25/33/136372533.db2.gz RLXUYAHRLHHHNQ-VXGBXAGGSA-N 2 2 200.370 2.495 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCCOCC2)c[nH+]1 ZINC000354539205 178531718 /nfs/dbraw/zinc/53/17/18/178531718.db2.gz IJEGKPQGVZHLCV-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP C[NH2+]C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000379971339 365769170 /nfs/dbraw/zinc/76/91/70/365769170.db2.gz GZWXEESHFKXYMF-YVMONPNESA-N 2 2 230.355 2.384 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000070975912 343579774 /nfs/dbraw/zinc/57/97/74/343579774.db2.gz YFPZSAKCCPPCLG-HNNXBMFYSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000070975912 343579775 /nfs/dbraw/zinc/57/97/75/343579775.db2.gz YFPZSAKCCPPCLG-HNNXBMFYSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccn1 ZINC000049553102 343601746 /nfs/dbraw/zinc/60/17/46/343601746.db2.gz XJAGGURWCVNXHL-NEPJUHHUSA-N 2 2 221.348 2.072 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000379954765 343659552 /nfs/dbraw/zinc/65/95/52/343659552.db2.gz UZNITSLJKBJVQX-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000379954765 343659554 /nfs/dbraw/zinc/65/95/54/343659554.db2.gz UZNITSLJKBJVQX-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH+](C)CCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623849899 343694726 /nfs/dbraw/zinc/69/47/26/343694726.db2.gz RHGNMJJZEQVUFG-SNVBAGLBSA-N 2 2 239.388 2.062 20 0 BEADLP CC/C=C/CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436236 343733668 /nfs/dbraw/zinc/73/36/68/343733668.db2.gz GTNCSNZHIJMTEX-ONEGZZNKSA-N 2 2 205.305 2.124 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000625434153 343735306 /nfs/dbraw/zinc/73/53/06/343735306.db2.gz GJOVOSXQIMKGRZ-GRYCIOLGSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000625434153 343735307 /nfs/dbraw/zinc/73/53/07/343735307.db2.gz GJOVOSXQIMKGRZ-GRYCIOLGSA-N 2 2 231.343 2.204 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625435242 343736362 /nfs/dbraw/zinc/73/63/62/343736362.db2.gz OWCNSWGKYLIFIN-VIFPVBQESA-N 2 2 241.285 2.203 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625435242 343736363 /nfs/dbraw/zinc/73/63/63/343736363.db2.gz OWCNSWGKYLIFIN-VIFPVBQESA-N 2 2 241.285 2.203 20 0 BEADLP C(=C/c1ccccc1)\C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625437827 343740091 /nfs/dbraw/zinc/74/00/91/343740091.db2.gz JBWYNHMSBUJLAE-QPJJXVBHSA-N 2 2 239.322 2.481 20 0 BEADLP C(=C/c1ccccc1)\C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625437827 343740092 /nfs/dbraw/zinc/74/00/92/343740092.db2.gz JBWYNHMSBUJLAE-QPJJXVBHSA-N 2 2 239.322 2.481 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000584166980 343767785 /nfs/dbraw/zinc/76/77/85/343767785.db2.gz YBYHDCIARIXDED-ZIAGYGMSSA-N 2 2 233.359 2.140 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]CC1(F)CC1 ZINC000309092562 346963852 /nfs/dbraw/zinc/96/38/52/346963852.db2.gz CPZMLTYRXFYNSQ-UHFFFAOYSA-N 2 2 208.280 2.024 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336653681 537820444 /nfs/dbraw/zinc/82/04/44/537820444.db2.gz GGQKTSQUXLFGTH-AGIUHOORSA-N 2 2 221.348 2.296 20 0 BEADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cscn2)C1 ZINC000634732383 344106814 /nfs/dbraw/zinc/10/68/14/344106814.db2.gz FFHXLTYFAWXNLQ-JTQLQIEISA-N 2 2 239.388 2.011 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C)(C)CC1 ZINC000130182639 344218516 /nfs/dbraw/zinc/21/85/16/344218516.db2.gz XZBZYSXCLINWDV-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP Fc1c[nH+]ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000641362249 362375759 /nfs/dbraw/zinc/37/57/59/362375759.db2.gz DEAMIQUAVXOACA-GFCCVEGCSA-N 2 2 249.333 2.285 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cccc2cccnc21 ZINC000385100198 344326505 /nfs/dbraw/zinc/32/65/05/344326505.db2.gz PCPBCOFNHSRUFR-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000385100198 344326510 /nfs/dbraw/zinc/32/65/10/344326510.db2.gz PCPBCOFNHSRUFR-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc2cccnc21 ZINC000385100196 344326573 /nfs/dbraw/zinc/32/65/73/344326573.db2.gz PCPBCOFNHSRUFR-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000385100196 344326576 /nfs/dbraw/zinc/32/65/76/344326576.db2.gz PCPBCOFNHSRUFR-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP CC[N@H+](CC[NH3+])CCSCc1ccccc1 ZINC000600772620 344372401 /nfs/dbraw/zinc/37/24/01/344372401.db2.gz FQRYZGOAXBHIHR-UHFFFAOYSA-N 2 2 238.400 2.200 20 0 BEADLP CC[N@@H+](CC[NH3+])CCSCc1ccccc1 ZINC000600772620 344372404 /nfs/dbraw/zinc/37/24/04/344372404.db2.gz FQRYZGOAXBHIHR-UHFFFAOYSA-N 2 2 238.400 2.200 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000041042079 344414297 /nfs/dbraw/zinc/41/42/97/344414297.db2.gz LOOHDCKTDQLJLB-SNVBAGLBSA-N 2 2 221.329 2.295 20 0 BEADLP CCCCOCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119619745 344474106 /nfs/dbraw/zinc/47/41/06/344474106.db2.gz RJUNEFVGEDMEBM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCCCOCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000119619745 344474109 /nfs/dbraw/zinc/47/41/09/344474109.db2.gz RJUNEFVGEDMEBM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323658 344488251 /nfs/dbraw/zinc/48/82/51/344488251.db2.gz VYBVHHNPDZRPCJ-DGCLKSJQSA-N 2 2 204.317 2.089 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044686562 344543942 /nfs/dbraw/zinc/54/39/42/344543942.db2.gz PITDMVZPJMRPTB-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044686562 344543944 /nfs/dbraw/zinc/54/39/44/344543944.db2.gz PITDMVZPJMRPTB-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044686559 344544089 /nfs/dbraw/zinc/54/40/89/344544089.db2.gz PITDMVZPJMRPTB-NWDGAFQWSA-N 2 2 210.365 2.391 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044686559 344544091 /nfs/dbraw/zinc/54/40/91/344544091.db2.gz PITDMVZPJMRPTB-NWDGAFQWSA-N 2 2 210.365 2.391 20 0 BEADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3F)CC[C@@H]21 ZINC000641444182 362422415 /nfs/dbraw/zinc/42/24/15/362422415.db2.gz PCPRYQZTPOTXTP-YPMHNXCESA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3F)CC[C@@H]21 ZINC000641444182 362422419 /nfs/dbraw/zinc/42/24/19/362422419.db2.gz PCPRYQZTPOTXTP-YPMHNXCESA-N 2 2 249.333 2.141 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]cn2C)oc1C ZINC000289749569 537849348 /nfs/dbraw/zinc/84/93/48/537849348.db2.gz KZMLBAKFXBGMJR-SNVBAGLBSA-N 2 2 233.315 2.481 20 0 BEADLP CN(CC1([NH+](C)C)CCC1)c1cc[nH+]cc1F ZINC000641522956 362480126 /nfs/dbraw/zinc/48/01/26/362480126.db2.gz XCGIXXQYEDSTPU-UHFFFAOYSA-N 2 2 237.322 2.141 20 0 BEADLP CCC[C@H](CC)[NH2+]CC[NH+](CC)CC ZINC000050404812 344817652 /nfs/dbraw/zinc/81/76/52/344817652.db2.gz PTDMNCRRSUWIDV-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[NH+](CC)CC ZINC000050404810 344817930 /nfs/dbraw/zinc/81/79/30/344817930.db2.gz PTDMNCRRSUWIDV-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP Cc1cccc(NCCNc2cc[nH+]c(C)n2)[nH+]1 ZINC000078257562 344839042 /nfs/dbraw/zinc/83/90/42/344839042.db2.gz XUXKZKQZQVKKBN-UHFFFAOYSA-N 2 2 243.314 2.012 20 0 BEADLP Cc1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000628157573 344852471 /nfs/dbraw/zinc/85/24/71/344852471.db2.gz MLZJYPGHQGRCQS-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)C(C)(C)C ZINC000235144018 537885046 /nfs/dbraw/zinc/88/50/46/537885046.db2.gz SVKSROXHUSIXGG-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1F ZINC000641603848 362541670 /nfs/dbraw/zinc/54/16/70/362541670.db2.gz HPKPSAPSMNOADR-LLVKDONJSA-N 2 2 239.338 2.175 20 0 BEADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1F ZINC000641603848 362541675 /nfs/dbraw/zinc/54/16/75/362541675.db2.gz HPKPSAPSMNOADR-LLVKDONJSA-N 2 2 239.338 2.175 20 0 BEADLP C[C@@H]1CN(c2cc[nH+]cc2F)CC[N@@H+](C2CC2)C1 ZINC000641612785 362545556 /nfs/dbraw/zinc/54/55/56/362545556.db2.gz MJZMSIWNSXNWPE-NSHDSACASA-N 2 2 249.333 2.141 20 0 BEADLP C[C@@H]1CN(c2cc[nH+]cc2F)CC[N@H+](C2CC2)C1 ZINC000641612785 362545562 /nfs/dbraw/zinc/54/55/62/362545562.db2.gz MJZMSIWNSXNWPE-NSHDSACASA-N 2 2 249.333 2.141 20 0 BEADLP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000156579420 345176748 /nfs/dbraw/zinc/17/67/48/345176748.db2.gz OHKIUXBDTYSZII-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000156579420 345176752 /nfs/dbraw/zinc/17/67/52/345176752.db2.gz OHKIUXBDTYSZII-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000156579068 345176861 /nfs/dbraw/zinc/17/68/61/345176861.db2.gz OHKIUXBDTYSZII-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000156579068 345176864 /nfs/dbraw/zinc/17/68/64/345176864.db2.gz OHKIUXBDTYSZII-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP C[N@H+](CC1CCCCC1)CC12CC(C1)C[NH2+]2 ZINC000634991548 345177593 /nfs/dbraw/zinc/17/75/93/345177593.db2.gz INPGDAAAEATQGO-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@@H+](CC1CCCCC1)CC12CC(C1)C[NH2+]2 ZINC000634991548 345177594 /nfs/dbraw/zinc/17/75/94/345177594.db2.gz INPGDAAAEATQGO-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634991527 345177689 /nfs/dbraw/zinc/17/76/89/345177689.db2.gz HXXODADMGAAWNA-UHFFFAOYSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634991527 345177691 /nfs/dbraw/zinc/17/76/91/345177691.db2.gz HXXODADMGAAWNA-UHFFFAOYSA-N 2 2 208.349 2.003 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992019 345179170 /nfs/dbraw/zinc/17/91/70/345179170.db2.gz ZUUWKPUAUNTKGN-OTTFEQOBSA-N 2 2 208.349 2.003 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992019 345179171 /nfs/dbraw/zinc/17/91/71/345179171.db2.gz ZUUWKPUAUNTKGN-OTTFEQOBSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H]([N@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000634992183 345179801 /nfs/dbraw/zinc/17/98/01/345179801.db2.gz HKKDTKXWAAAKCR-ZBOXLXRLSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([N@@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000634992183 345179803 /nfs/dbraw/zinc/17/98/03/345179803.db2.gz HKKDTKXWAAAKCR-ZBOXLXRLSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](c1cccc(O)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992316 345180339 /nfs/dbraw/zinc/18/03/39/345180339.db2.gz LIXVAYZVFQSLNX-BZUNDVKYSA-N 2 2 246.354 2.137 20 0 BEADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992316 345180341 /nfs/dbraw/zinc/18/03/41/345180341.db2.gz LIXVAYZVFQSLNX-BZUNDVKYSA-N 2 2 246.354 2.137 20 0 BEADLP C[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C[C@@H](C)C1 ZINC000634993576 345190725 /nfs/dbraw/zinc/19/07/25/345190725.db2.gz YOOQFVKJAXRWSI-FEPKRQSRSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C[C@@H](C)C1 ZINC000634993576 345190729 /nfs/dbraw/zinc/19/07/29/345190729.db2.gz YOOQFVKJAXRWSI-FEPKRQSRSA-N 2 2 222.376 2.106 20 0 BEADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000634950696 345127451 /nfs/dbraw/zinc/12/74/51/345127451.db2.gz APHSQJYBMCFIEI-UHFFFAOYSA-N 2 2 245.326 2.026 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994152 345192415 /nfs/dbraw/zinc/19/24/15/345192415.db2.gz SKWSEPVVSSJRSN-ROKHWSDSSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994152 345192417 /nfs/dbraw/zinc/19/24/17/345192417.db2.gz SKWSEPVVSSJRSN-ROKHWSDSSA-N 2 2 222.376 2.106 20 0 BEADLP COc1ccccc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000634997388 345195491 /nfs/dbraw/zinc/19/54/91/345195491.db2.gz JXNXHUSBVVTBSN-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP COc1ccccc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000634997388 345195494 /nfs/dbraw/zinc/19/54/94/345195494.db2.gz JXNXHUSBVVTBSN-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP COc1ccccc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000634997389 345195625 /nfs/dbraw/zinc/19/56/25/345195625.db2.gz JXNXHUSBVVTBSN-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP COc1ccccc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000634997389 345195627 /nfs/dbraw/zinc/19/56/27/345195627.db2.gz JXNXHUSBVVTBSN-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CC(C)(C)[NH2+]CC[NH+]1CCC(CCF)CC1 ZINC000634998346 345198192 /nfs/dbraw/zinc/19/81/92/345198192.db2.gz DNSKZXMVGFRGBE-UHFFFAOYSA-N 2 2 230.371 2.446 20 0 BEADLP CC(C)([NH3+])C[NH+]1CCC2(CCSCC2)CC1 ZINC000634998883 345198903 /nfs/dbraw/zinc/19/89/03/345198903.db2.gz MIJLQDWFHCJNOY-UHFFFAOYSA-N 2 2 242.432 2.333 20 0 BEADLP FC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000635002490 345203952 /nfs/dbraw/zinc/20/39/52/345203952.db2.gz SKJFFFMUMDMXDD-ZDUSSCGKSA-N 2 2 240.297 2.178 20 0 BEADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)F ZINC000635003413 345206250 /nfs/dbraw/zinc/20/62/50/345206250.db2.gz JGSIOUZARXKVKH-YPMHNXCESA-N 2 2 238.350 2.283 20 0 BEADLP CC(C)(F)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000635004564 345207517 /nfs/dbraw/zinc/20/75/17/345207517.db2.gz PNUWGNDUEIIVEU-RYUDHWBXSA-N 2 2 222.307 2.469 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@@H](C)C[NH3+])c(C)c1 ZINC000158520914 345343691 /nfs/dbraw/zinc/34/36/91/345343691.db2.gz JHBFLACMVBSWIS-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@@H](C)C[NH3+])c(C)c1 ZINC000158520914 345343692 /nfs/dbraw/zinc/34/36/92/345343692.db2.gz JHBFLACMVBSWIS-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)[nH]1 ZINC000080960518 345455553 /nfs/dbraw/zinc/45/55/53/345455553.db2.gz CVYQWZREYUCVHQ-CYBMUJFWSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3CCOCC3)C2)[nH]1 ZINC000080960518 345455554 /nfs/dbraw/zinc/45/55/54/345455554.db2.gz CVYQWZREYUCVHQ-CYBMUJFWSA-N 2 2 249.358 2.016 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000198719714 345534828 /nfs/dbraw/zinc/53/48/28/345534828.db2.gz SQDHXBGWPSCPRJ-CABCVRRESA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)nc(C)[nH+]1 ZINC000091454072 345593175 /nfs/dbraw/zinc/59/31/75/345593175.db2.gz NKEGGZSGUCZFHT-SNVBAGLBSA-N 2 2 245.330 2.038 20 0 BEADLP Cc1cc[nH+]c(NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000091481805 345594688 /nfs/dbraw/zinc/59/46/88/345594688.db2.gz DPIMKNMNQVPBMB-LBPRGKRZSA-N 2 2 219.332 2.142 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000113602867 345674170 /nfs/dbraw/zinc/67/41/70/345674170.db2.gz LXGYIEMPXLUBRM-LLVKDONJSA-N 2 2 222.332 2.037 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000113602867 345674174 /nfs/dbraw/zinc/67/41/74/345674174.db2.gz LXGYIEMPXLUBRM-LLVKDONJSA-N 2 2 222.332 2.037 20 0 BEADLP CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000149041903 345715443 /nfs/dbraw/zinc/71/54/43/345715443.db2.gz QOJBVSXGQVYQCH-UONOGXRCSA-N 2 2 218.344 2.213 20 0 BEADLP CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000149041903 345715445 /nfs/dbraw/zinc/71/54/45/345715445.db2.gz QOJBVSXGQVYQCH-UONOGXRCSA-N 2 2 218.344 2.213 20 0 BEADLP CC[C@@H]([NH2+]Cc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000198720093 345727340 /nfs/dbraw/zinc/72/73/40/345727340.db2.gz IULARLCFNHYHQR-NEPJUHHUSA-N 2 2 224.373 2.368 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000070643842 345793938 /nfs/dbraw/zinc/79/39/38/345793938.db2.gz JHPFTLZSKUWDOU-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628211086 345822502 /nfs/dbraw/zinc/82/25/02/345822502.db2.gz WDSXYEZEHAEELX-JTQLQIEISA-N 2 2 234.334 2.350 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628211086 345822505 /nfs/dbraw/zinc/82/25/05/345822505.db2.gz WDSXYEZEHAEELX-JTQLQIEISA-N 2 2 234.334 2.350 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771675 535010703 /nfs/dbraw/zinc/01/07/03/535010703.db2.gz RBUSFALPIMVHGX-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771675 535010708 /nfs/dbraw/zinc/01/07/08/535010708.db2.gz RBUSFALPIMVHGX-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])o1 ZINC000562960213 345839798 /nfs/dbraw/zinc/83/97/98/345839798.db2.gz GHXHFLPVRTVJDG-LPTSXCQYSA-N 2 2 234.343 2.372 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])o1 ZINC000562960210 345839931 /nfs/dbraw/zinc/83/99/31/345839931.db2.gz GHXHFLPVRTVJDG-GWNIPJSYSA-N 2 2 234.343 2.372 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166878671 345925165 /nfs/dbraw/zinc/92/51/65/345925165.db2.gz LEHTWAWSCUCLHB-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166878671 345925168 /nfs/dbraw/zinc/92/51/68/345925168.db2.gz LEHTWAWSCUCLHB-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684379060 488299983 /nfs/dbraw/zinc/29/99/83/488299983.db2.gz OTLAMQHJMXNMPC-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684379060 488299985 /nfs/dbraw/zinc/29/99/85/488299985.db2.gz OTLAMQHJMXNMPC-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123501719 179082512 /nfs/dbraw/zinc/08/25/12/179082512.db2.gz GDXYHOUZCSPBOC-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123501719 179082514 /nfs/dbraw/zinc/08/25/14/179082514.db2.gz GDXYHOUZCSPBOC-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCC2CC2)n1C ZINC000563439305 323125805 /nfs/dbraw/zinc/12/58/05/323125805.db2.gz LIYGIKUEIQYWEL-JTQLQIEISA-N 2 2 221.348 2.397 20 0 BEADLP CCC(F)(F)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000641799176 362747517 /nfs/dbraw/zinc/74/75/17/362747517.db2.gz NSLBNLXVDYRXEA-LBPRGKRZSA-N 2 2 246.345 2.353 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805675 362762329 /nfs/dbraw/zinc/76/23/29/362762329.db2.gz GHOHWSRIXHMHRH-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805675 362762334 /nfs/dbraw/zinc/76/23/34/362762334.db2.gz GHOHWSRIXHMHRH-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccncc1C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805604 362762547 /nfs/dbraw/zinc/76/25/47/362762547.db2.gz OMUGWDPZZWLKRP-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccncc1C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805604 362762553 /nfs/dbraw/zinc/76/25/53/362762553.db2.gz OMUGWDPZZWLKRP-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000580066570 346507031 /nfs/dbraw/zinc/50/70/31/346507031.db2.gz YRBWPDJUBICLPA-VXGBXAGGSA-N 2 2 239.388 2.147 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805677 362763397 /nfs/dbraw/zinc/76/33/97/362763397.db2.gz GHOHWSRIXHMHRH-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805677 362763405 /nfs/dbraw/zinc/76/34/05/362763405.db2.gz GHOHWSRIXHMHRH-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683892 179101062 /nfs/dbraw/zinc/10/10/62/179101062.db2.gz SBXPIZKAGXWCJG-AWEZNQCLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683892 179101065 /nfs/dbraw/zinc/10/10/65/179101065.db2.gz SBXPIZKAGXWCJG-AWEZNQCLSA-N 2 2 230.355 2.321 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000641801429 362755360 /nfs/dbraw/zinc/75/53/60/362755360.db2.gz CDANUWQGBUELDL-RNFRBKRXSA-N 2 2 245.779 2.012 20 0 BEADLP Cc1cncc(C[N@@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803389 362759344 /nfs/dbraw/zinc/75/93/44/362759344.db2.gz CMAWHYDMPVSZNS-GUTXKFCHSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cncc(C[N@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803389 362759347 /nfs/dbraw/zinc/75/93/47/362759347.db2.gz CMAWHYDMPVSZNS-GUTXKFCHSA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccn2)[C@H]1C ZINC000641806925 362764622 /nfs/dbraw/zinc/76/46/22/362764622.db2.gz JLXLCNKXZAJLHU-DYEKYZERSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccn2)[C@H]1C ZINC000641806925 362764630 /nfs/dbraw/zinc/76/46/30/362764630.db2.gz JLXLCNKXZAJLHU-DYEKYZERSA-N 2 2 233.359 2.029 20 0 BEADLP Cc1cccnc1C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809491 362765947 /nfs/dbraw/zinc/76/59/47/362765947.db2.gz QQADHQOFYCWAET-UBHSHLNASA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccnc1C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809491 362765952 /nfs/dbraw/zinc/76/59/52/362765952.db2.gz QQADHQOFYCWAET-UBHSHLNASA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ncccc1C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809496 362766652 /nfs/dbraw/zinc/76/66/52/362766652.db2.gz QRXSWCIHEBFFKW-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ncccc1C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809496 362766656 /nfs/dbraw/zinc/76/66/56/362766656.db2.gz QRXSWCIHEBFFKW-WHOFXGATSA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccncc2)[C@@H]1C ZINC000641810743 362766894 /nfs/dbraw/zinc/76/68/94/362766894.db2.gz ZAHWLUAZKLMHBU-YRGRVCCFSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccncc2)[C@@H]1C ZINC000641810743 362766899 /nfs/dbraw/zinc/76/68/99/362766899.db2.gz ZAHWLUAZKLMHBU-YRGRVCCFSA-N 2 2 233.359 2.029 20 0 BEADLP Cc1cccc(N(C)CC2([NH+](C)C)CCC2)[nH+]1 ZINC000275382849 179115600 /nfs/dbraw/zinc/11/56/00/179115600.db2.gz BPQCKJCEOGKWQF-UHFFFAOYSA-N 2 2 233.359 2.311 20 0 BEADLP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000390525976 259392206 /nfs/dbraw/zinc/39/22/06/259392206.db2.gz GVEGPNHHTWEOKM-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000390525976 259392207 /nfs/dbraw/zinc/39/22/07/259392207.db2.gz GVEGPNHHTWEOKM-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CSC1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000300889986 346629326 /nfs/dbraw/zinc/62/93/26/346629326.db2.gz ULOBJIJDFIRVSA-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000381727369 346758759 /nfs/dbraw/zinc/75/87/59/346758759.db2.gz MWRMXSGJFSKGJN-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000381727369 346758761 /nfs/dbraw/zinc/75/87/61/346758761.db2.gz MWRMXSGJFSKGJN-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP Cc1cccc(N[C@@H]2CCC[N@H+](C)[C@H]2C)[nH+]1 ZINC000309504000 179154281 /nfs/dbraw/zinc/15/42/81/179154281.db2.gz VLRLTVMTGMEXDJ-NWDGAFQWSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cccc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)[nH+]1 ZINC000309504000 179154283 /nfs/dbraw/zinc/15/42/83/179154283.db2.gz VLRLTVMTGMEXDJ-NWDGAFQWSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cccc(OCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160087973 179166741 /nfs/dbraw/zinc/16/67/41/179166741.db2.gz MJVXZNXGUOHNDV-HNNXBMFYSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cccc(OCC[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160087973 179166742 /nfs/dbraw/zinc/16/67/42/179166742.db2.gz MJVXZNXGUOHNDV-HNNXBMFYSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1F ZINC000622003993 370654157 /nfs/dbraw/zinc/65/41/57/370654157.db2.gz IPALYFSZIRRHOM-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1F ZINC000622003993 370654160 /nfs/dbraw/zinc/65/41/60/370654160.db2.gz IPALYFSZIRRHOM-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000163889370 179159083 /nfs/dbraw/zinc/15/90/83/179159083.db2.gz CSKMJCNNNPVYLP-RYUDHWBXSA-N 2 2 231.343 2.427 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309692380 347134447 /nfs/dbraw/zinc/13/44/47/347134447.db2.gz JWLXFNSRPXZTLL-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309692380 347134451 /nfs/dbraw/zinc/13/44/51/347134451.db2.gz JWLXFNSRPXZTLL-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)C[NH+](C)C)CS1 ZINC000380094378 365875580 /nfs/dbraw/zinc/87/55/80/365875580.db2.gz JVBAYIHLBNQRIS-SDDRHHMPSA-N 2 2 230.421 2.056 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+]C1(C2CC2)CC1 ZINC000380093086 365875676 /nfs/dbraw/zinc/87/56/76/365875676.db2.gz NNSDRMMYVWNHIJ-UHFFFAOYSA-N 2 2 208.349 2.005 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccs1)C2 ZINC000622005851 370656963 /nfs/dbraw/zinc/65/69/63/370656963.db2.gz NWJAYPSAFXZAAV-ZYHUDNBSSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccs1)C2 ZINC000622005851 370656966 /nfs/dbraw/zinc/65/69/66/370656966.db2.gz NWJAYPSAFXZAAV-ZYHUDNBSSA-N 2 2 222.357 2.061 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042545808 179183131 /nfs/dbraw/zinc/18/31/31/179183131.db2.gz RCKBNSQSWSVBMR-TZMCWYRMSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042545808 179183134 /nfs/dbraw/zinc/18/31/34/179183134.db2.gz RCKBNSQSWSVBMR-TZMCWYRMSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000251184180 179180124 /nfs/dbraw/zinc/18/01/24/179180124.db2.gz JLHOQWPJKVWTPB-DGCLKSJQSA-N 2 2 204.317 2.089 20 0 BEADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000251184180 179180126 /nfs/dbraw/zinc/18/01/26/179180126.db2.gz JLHOQWPJKVWTPB-DGCLKSJQSA-N 2 2 204.317 2.089 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC000380259007 347232587 /nfs/dbraw/zinc/23/25/87/347232587.db2.gz QZMOJELHYTUKJA-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC000380259007 347232591 /nfs/dbraw/zinc/23/25/91/347232591.db2.gz QZMOJELHYTUKJA-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[NH+](C)C ZINC000309521975 179216860 /nfs/dbraw/zinc/21/68/60/179216860.db2.gz ARJDYOLPLUBYKF-CQSZACIVSA-N 2 2 218.344 2.134 20 0 BEADLP Cc1ccsc1C[NH2+]CC[NH+]1CCCC1 ZINC000020126776 347409073 /nfs/dbraw/zinc/40/90/73/347409073.db2.gz OBTLXHGXVPCFON-UHFFFAOYSA-N 2 2 224.373 2.242 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000319440558 347397764 /nfs/dbraw/zinc/39/77/64/347397764.db2.gz LKHCBAKLOQNWQS-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000319440558 347397765 /nfs/dbraw/zinc/39/77/65/347397765.db2.gz LKHCBAKLOQNWQS-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP C1=CC[C@H](C[NH2+]CC[NH+]2CCCC2)CC1 ZINC000020127025 259395522 /nfs/dbraw/zinc/39/55/22/259395522.db2.gz KOPVBNHYQXJUDM-ZDUSSCGKSA-N 2 2 208.349 2.028 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cnccn1 ZINC000247136785 347447119 /nfs/dbraw/zinc/44/71/19/347447119.db2.gz QQDSBLFLJQPERH-YNEHKIRRSA-N 2 2 248.374 2.000 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CCCC1 ZINC000054111437 347467234 /nfs/dbraw/zinc/46/72/34/347467234.db2.gz LRWYFMFDSCNHLR-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CCCC1 ZINC000054111437 347467236 /nfs/dbraw/zinc/46/72/36/347467236.db2.gz LRWYFMFDSCNHLR-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006395 370658446 /nfs/dbraw/zinc/65/84/46/370658446.db2.gz ZNPJBWJHFFBWQX-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006395 370658448 /nfs/dbraw/zinc/65/84/48/370658448.db2.gz ZNPJBWJHFFBWQX-DZGCQCFKSA-N 2 2 246.354 2.008 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083585 347616989 /nfs/dbraw/zinc/61/69/89/347616989.db2.gz ZAVURTBSLOUPEW-GFCCVEGCSA-N 2 2 207.321 2.176 20 0 BEADLP CC(C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083585 347616992 /nfs/dbraw/zinc/61/69/92/347616992.db2.gz ZAVURTBSLOUPEW-GFCCVEGCSA-N 2 2 207.321 2.176 20 0 BEADLP Cc1ccccc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358289691 179266880 /nfs/dbraw/zinc/26/68/80/179266880.db2.gz PTJHJAGHWIOQHY-UKRRQHHQSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccccc1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358289691 179266883 /nfs/dbraw/zinc/26/68/83/179266883.db2.gz PTJHJAGHWIOQHY-UKRRQHHQSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309761759 179284891 /nfs/dbraw/zinc/28/48/91/179284891.db2.gz IVBMZGYFHVAFDB-GXTWGEPZSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309761759 179284893 /nfs/dbraw/zinc/28/48/93/179284893.db2.gz IVBMZGYFHVAFDB-GXTWGEPZSA-N 2 2 218.344 2.035 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000054241418 1172095569 /nfs/dbraw/zinc/09/55/69/1172095569.db2.gz YSAUIXNSOODLHC-QWHCGFSZSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000054241418 1172095575 /nfs/dbraw/zinc/09/55/75/1172095575.db2.gz YSAUIXNSOODLHC-QWHCGFSZSA-N 2 2 236.359 2.285 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358002529 179290636 /nfs/dbraw/zinc/29/06/36/179290636.db2.gz GHYJWQNQQKIGBZ-YCPHGPKFSA-N 2 2 246.398 2.466 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358002529 179290641 /nfs/dbraw/zinc/29/06/41/179290641.db2.gz GHYJWQNQQKIGBZ-YCPHGPKFSA-N 2 2 246.398 2.466 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000300939224 187385625 /nfs/dbraw/zinc/38/56/25/187385625.db2.gz OPDIAQVGPGHTPY-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000300939224 187385626 /nfs/dbraw/zinc/38/56/26/187385626.db2.gz OPDIAQVGPGHTPY-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP CCSCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594611918 348082493 /nfs/dbraw/zinc/08/24/93/348082493.db2.gz PGXTYLZATNFFGA-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594611918 348082494 /nfs/dbraw/zinc/08/24/94/348082494.db2.gz PGXTYLZATNFFGA-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594934972 348141261 /nfs/dbraw/zinc/14/12/61/348141261.db2.gz ALWOFMOJMOSIQL-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CSCCF ZINC000595003848 348169298 /nfs/dbraw/zinc/16/92/98/348169298.db2.gz LLPLUYRWPRODFM-NWDGAFQWSA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CSCCF ZINC000595003848 348169301 /nfs/dbraw/zinc/16/93/01/348169301.db2.gz LLPLUYRWPRODFM-NWDGAFQWSA-N 2 2 248.411 2.152 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449558419 201967316 /nfs/dbraw/zinc/96/73/16/201967316.db2.gz XYTVCYDNJUOPMY-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000161772353 179373947 /nfs/dbraw/zinc/37/39/47/179373947.db2.gz DXPWTHXJTWZTIG-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000161772353 179373950 /nfs/dbraw/zinc/37/39/50/179373950.db2.gz DXPWTHXJTWZTIG-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP CCC[C@@H](C[NH2+]CCc1cc[nH+]cc1C)OC ZINC000397539634 362892190 /nfs/dbraw/zinc/89/21/90/362892190.db2.gz UKZJXZXFWRVXCG-AWEZNQCLSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529669720 323185795 /nfs/dbraw/zinc/18/57/95/323185795.db2.gz OEUQRPASGIDEDG-YRGRVCCFSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000529669720 323185796 /nfs/dbraw/zinc/18/57/96/323185796.db2.gz OEUQRPASGIDEDG-YRGRVCCFSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1[C@H](C)C[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000419382555 192133466 /nfs/dbraw/zinc/13/34/66/192133466.db2.gz ZHUQHZFBHQQYCX-UPJWGTAASA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1[C@H](C)C[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000419382555 192133467 /nfs/dbraw/zinc/13/34/67/192133467.db2.gz ZHUQHZFBHQQYCX-UPJWGTAASA-N 2 2 221.348 2.250 20 0 BEADLP CSC1(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000597179630 348681467 /nfs/dbraw/zinc/68/14/67/348681467.db2.gz KNOXFWCLGQELRC-NSHDSACASA-N 2 2 242.432 2.344 20 0 BEADLP CSC1(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000597179630 348681472 /nfs/dbraw/zinc/68/14/72/348681472.db2.gz KNOXFWCLGQELRC-NSHDSACASA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597180948 348681487 /nfs/dbraw/zinc/68/14/87/348681487.db2.gz XPAMMDCGXFPOHB-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597180948 348681491 /nfs/dbraw/zinc/68/14/91/348681491.db2.gz XPAMMDCGXFPOHB-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250646346 538022648 /nfs/dbraw/zinc/02/26/48/538022648.db2.gz VLRMYTAIAZRAQT-ABAIWWIYSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000250646346 538022657 /nfs/dbraw/zinc/02/26/57/538022657.db2.gz VLRMYTAIAZRAQT-ABAIWWIYSA-N 2 2 248.345 2.497 20 0 BEADLP CC(C)OCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250579751 349175760 /nfs/dbraw/zinc/17/57/60/349175760.db2.gz HSSHJGUUIJJASS-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250579751 349175761 /nfs/dbraw/zinc/17/57/61/349175761.db2.gz HSSHJGUUIJJASS-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000309050995 349407784 /nfs/dbraw/zinc/40/77/84/349407784.db2.gz OLXSIFMDQTZGKU-VCDPDADVSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000309050995 349407785 /nfs/dbraw/zinc/40/77/85/349407785.db2.gz OLXSIFMDQTZGKU-VCDPDADVSA-N 2 2 216.328 2.123 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cs1 ZINC000293707033 180048795 /nfs/dbraw/zinc/04/87/95/180048795.db2.gz OSKOEUOYODKBNQ-ZJUUUORDSA-N 2 2 241.404 2.300 20 0 BEADLP Cc1[nH]c2ccc(Cn3cc[nH+]c3C)cc2[nH+]1 ZINC000358860279 180093307 /nfs/dbraw/zinc/09/33/07/180093307.db2.gz LISIPTAZFOZTDO-UHFFFAOYSA-N 2 2 226.283 2.425 20 0 BEADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000227375095 180156944 /nfs/dbraw/zinc/15/69/44/180156944.db2.gz JHGWWOMRUAEPCI-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000227375095 180156947 /nfs/dbraw/zinc/15/69/47/180156947.db2.gz JHGWWOMRUAEPCI-GXSJLCMTSA-N 2 2 239.388 2.024 20 0 BEADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000105457525 191067314 /nfs/dbraw/zinc/06/73/14/191067314.db2.gz RWYBBXSHLYNFRM-CYBMUJFWSA-N 2 2 236.359 2.490 20 0 BEADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000105457525 191067317 /nfs/dbraw/zinc/06/73/17/191067317.db2.gz RWYBBXSHLYNFRM-CYBMUJFWSA-N 2 2 236.359 2.490 20 0 BEADLP Cc1nc(NCCC[NH+]2CCCCC2)cc[nH+]1 ZINC000266157137 180197465 /nfs/dbraw/zinc/19/74/65/180197465.db2.gz MKTPUVACLAVNQH-UHFFFAOYSA-N 2 2 234.347 2.073 20 0 BEADLP Cc1nc(NCC(C)(C)C[NH+]2CCCC2)cc[nH+]1 ZINC000276848149 180198902 /nfs/dbraw/zinc/19/89/02/180198902.db2.gz QVMHTASVTOIJLP-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1[nH+]cccc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128062006 180226469 /nfs/dbraw/zinc/22/64/69/180226469.db2.gz GHJCZCWODRTUHJ-ZYHUDNBSSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1[nH+]cccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128062006 180226474 /nfs/dbraw/zinc/22/64/74/180226474.db2.gz GHJCZCWODRTUHJ-ZYHUDNBSSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1[nH+]ccn1CCCn1c[nH+]c2c1CCCC2 ZINC000296542079 180246367 /nfs/dbraw/zinc/24/63/67/180246367.db2.gz BLJMAADLUPBKMH-UHFFFAOYSA-N 2 2 244.342 2.357 20 0 BEADLP Cc1[nH+]ccn1CCCOc1cc[nH+]cc1 ZINC000292456704 180248090 /nfs/dbraw/zinc/24/80/90/180248090.db2.gz OHVJJWHWPDLRQD-UHFFFAOYSA-N 2 2 217.272 2.056 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000270910279 180253709 /nfs/dbraw/zinc/25/37/09/180253709.db2.gz SSQPOHLSMOJYGA-WDEREUQCSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000270910279 180253711 /nfs/dbraw/zinc/25/37/11/180253711.db2.gz SSQPOHLSMOJYGA-WDEREUQCSA-N 2 2 239.388 2.017 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309089955 323315318 /nfs/dbraw/zinc/31/53/18/323315318.db2.gz ATGAJMMMSAHVIY-NSHDSACASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309089955 323315321 /nfs/dbraw/zinc/31/53/21/323315321.db2.gz ATGAJMMMSAHVIY-NSHDSACASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000336585812 180255295 /nfs/dbraw/zinc/25/52/95/180255295.db2.gz KJXCFKBRMAIBAM-QWRGUYRKSA-N 2 2 207.321 2.064 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000270788247 180256484 /nfs/dbraw/zinc/25/64/84/180256484.db2.gz BRQKMTKEBQYYHY-GFCCVEGCSA-N 2 2 244.342 2.070 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCn2cccc2[C@H]1C ZINC000270788247 180256486 /nfs/dbraw/zinc/25/64/86/180256486.db2.gz BRQKMTKEBQYYHY-GFCCVEGCSA-N 2 2 244.342 2.070 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC=C(F)C1 ZINC000272490967 180241402 /nfs/dbraw/zinc/24/14/02/180241402.db2.gz MZFWARSFLUFMPV-UHFFFAOYSA-N 2 2 223.295 2.141 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+]1CCC=C(F)C1 ZINC000272490967 180241408 /nfs/dbraw/zinc/24/14/08/180241408.db2.gz MZFWARSFLUFMPV-UHFFFAOYSA-N 2 2 223.295 2.141 20 0 BEADLP CCC(C)(C)[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000069015565 350321382 /nfs/dbraw/zinc/32/13/82/350321382.db2.gz YUIQLUVQRVLCPZ-NSHDSACASA-N 2 2 200.370 2.480 20 0 BEADLP CCC(C)(C)[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000069015565 350321385 /nfs/dbraw/zinc/32/13/85/350321385.db2.gz YUIQLUVQRVLCPZ-NSHDSACASA-N 2 2 200.370 2.480 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427864729 191096641 /nfs/dbraw/zinc/09/66/41/191096641.db2.gz LYKFBKKDTYGXCP-WCQYABFASA-N 2 2 233.359 2.366 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1C1CC1)CC2 ZINC000427881988 191098533 /nfs/dbraw/zinc/09/85/33/191098533.db2.gz LAXSZAVIKJYQDP-MGPQQGTHSA-N 2 2 245.370 2.366 20 0 BEADLP CCc1cc(NCC(C)(C)C[NH+](C)C)nc[nH+]1 ZINC000040765020 350394426 /nfs/dbraw/zinc/39/44/26/350394426.db2.gz AWWBCVGLILDICP-UHFFFAOYSA-N 2 2 236.363 2.039 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC=CCC1 ZINC000035275156 358456409 /nfs/dbraw/zinc/45/64/09/358456409.db2.gz WXACJPFUULJDEF-CHWSQXEVSA-N 2 2 219.332 2.218 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000035275427 358456718 /nfs/dbraw/zinc/45/67/18/358456718.db2.gz XGXCCHZBEVYPTA-FRRDWIJNSA-N 2 2 221.348 2.440 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000163520658 350524165 /nfs/dbraw/zinc/52/41/65/350524165.db2.gz RNLBIWDXYJOHDW-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000163520658 350524169 /nfs/dbraw/zinc/52/41/69/350524169.db2.gz RNLBIWDXYJOHDW-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CC[NH+](C)C ZINC000336645876 350557347 /nfs/dbraw/zinc/55/73/47/350557347.db2.gz CCYMWGOOZUMNOG-VXGBXAGGSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@H]1C ZINC000322020333 323394747 /nfs/dbraw/zinc/39/47/47/323394747.db2.gz KFXZWJVCVMMSHF-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000069801302 350831126 /nfs/dbraw/zinc/83/11/26/350831126.db2.gz ZCPDOESUJRKNDC-LBPRGKRZSA-N 2 2 206.333 2.207 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000069801302 350831128 /nfs/dbraw/zinc/83/11/28/350831128.db2.gz ZCPDOESUJRKNDC-LBPRGKRZSA-N 2 2 206.333 2.207 20 0 BEADLP CC1(C[NH2+]CC2CC[NH+](CC(F)F)CC2)CC1 ZINC000623089591 350851398 /nfs/dbraw/zinc/85/13/98/350851398.db2.gz OBMWINVCGBYEGW-UHFFFAOYSA-N 2 2 246.345 2.353 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000397540839 350909227 /nfs/dbraw/zinc/90/92/27/350909227.db2.gz VUGICCXEFQFYQW-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1nc(C)c(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000397547222 350909315 /nfs/dbraw/zinc/90/93/15/350909315.db2.gz VQONUFFLDNOPDV-UHFFFAOYSA-N 2 2 245.326 2.327 20 0 BEADLP Cc1cc(C[NH2+]CCc2cc[nH+]cc2C)on1 ZINC000397539514 350909529 /nfs/dbraw/zinc/90/95/29/350909529.db2.gz ULXMZCUJLWVCTF-UHFFFAOYSA-N 2 2 231.299 2.019 20 0 BEADLP 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C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CS1 ZINC000638363513 352174053 /nfs/dbraw/zinc/17/40/53/352174053.db2.gz NPJLHXLGBMFRSX-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)CS1 ZINC000638363513 352174059 /nfs/dbraw/zinc/17/40/59/352174059.db2.gz NPJLHXLGBMFRSX-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccncc1 ZINC000037157801 358468815 /nfs/dbraw/zinc/46/88/15/358468815.db2.gz OIPISVNFWPDSNP-RYUDHWBXSA-N 2 2 230.315 2.017 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCC(C)(F)CC2)n1C ZINC000630072297 363154951 /nfs/dbraw/zinc/15/49/51/363154951.db2.gz CCEMBHYADMGUDD-UHFFFAOYSA-N 2 2 225.311 2.053 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340468171 352379070 /nfs/dbraw/zinc/37/90/70/352379070.db2.gz JUAULUHAKKTVKD-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340468171 352379072 /nfs/dbraw/zinc/37/90/72/352379072.db2.gz JUAULUHAKKTVKD-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340478786 352383791 /nfs/dbraw/zinc/38/37/91/352383791.db2.gz MGNSCMZGLSBDDD-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340478786 352383794 /nfs/dbraw/zinc/38/37/94/352383794.db2.gz MGNSCMZGLSBDDD-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638605852 352441336 /nfs/dbraw/zinc/44/13/36/352441336.db2.gz VFQOKTWOVGEYNN-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638605852 352441338 /nfs/dbraw/zinc/44/13/38/352441338.db2.gz VFQOKTWOVGEYNN-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CC1CC(OCC)C1 ZINC000638586055 352416109 /nfs/dbraw/zinc/41/61/09/352416109.db2.gz NXNQJCSCDSHZGG-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CC1CC(OCC)C1 ZINC000638586055 352416113 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ZINC000266265220 352476033 /nfs/dbraw/zinc/47/60/33/352476033.db2.gz PYYHKUFUYCUAEE-UHFFFAOYSA-N 2 2 245.330 2.101 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000415014122 352550375 /nfs/dbraw/zinc/55/03/75/352550375.db2.gz WJDRDZDQUGCXNU-NXEZZACHSA-N 2 2 218.300 2.258 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000041029908 352601170 /nfs/dbraw/zinc/60/11/70/352601170.db2.gz KLTPNQDIAYUYFB-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000041029908 352601172 /nfs/dbraw/zinc/60/11/72/352601172.db2.gz KLTPNQDIAYUYFB-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP CCC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000041041868 352601355 /nfs/dbraw/zinc/60/13/55/352601355.db2.gz AVZBKTSIGHHEEF-UHFFFAOYSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000043325964 352636453 /nfs/dbraw/zinc/63/64/53/352636453.db2.gz PXKLFHJFJWNKAF-ONGXEEELSA-N 2 2 240.297 2.367 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CS[C@H](C)C1 ZINC000252180636 363194085 /nfs/dbraw/zinc/19/40/85/363194085.db2.gz SVQQXSBCZXHYKP-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCCOC3)CC2)[nH]1 ZINC000334181830 352769602 /nfs/dbraw/zinc/76/96/02/352769602.db2.gz DKGAZZINRHXRAX-LBPRGKRZSA-N 2 2 249.358 2.016 20 0 BEADLP F[C@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000334240665 352827717 /nfs/dbraw/zinc/82/77/17/352827717.db2.gz VTQUFXNMMUTOJN-NWDGAFQWSA-N 2 2 233.290 2.315 20 0 BEADLP C[N@H+](Cc1ccc[nH]1)Cc1cccc2[nH+]ccn21 ZINC000342913642 352916643 /nfs/dbraw/zinc/91/66/43/352916643.db2.gz UXIBRUUVEOLHRW-UHFFFAOYSA-N 2 2 240.310 2.294 20 0 BEADLP C[N@@H+](Cc1ccc[nH]1)Cc1cccc2[nH+]ccn21 ZINC000342913642 352916646 /nfs/dbraw/zinc/91/66/46/352916646.db2.gz UXIBRUUVEOLHRW-UHFFFAOYSA-N 2 2 240.310 2.294 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000334267981 352903986 /nfs/dbraw/zinc/90/39/86/352903986.db2.gz OFEGHOZTAWSKLH-NOZJJQNGSA-N 2 2 240.297 2.005 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC000638865668 353039579 /nfs/dbraw/zinc/03/95/79/353039579.db2.gz KBZLXKMPCICVRO-ZIAGYGMSSA-N 2 2 246.398 2.331 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[N@@H+](C)C(C)C)cn1 ZINC000354123743 188062077 /nfs/dbraw/zinc/06/20/77/188062077.db2.gz BZOLWNHYLGNKOF-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[N@H+](C)C(C)C)cn1 ZINC000354123743 188062078 /nfs/dbraw/zinc/06/20/78/188062078.db2.gz BZOLWNHYLGNKOF-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP C1CCC([N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000120097527 188073962 /nfs/dbraw/zinc/07/39/62/188073962.db2.gz OETFZQWMEHDBGC-AWEZNQCLSA-N 2 2 222.376 2.489 20 0 BEADLP C1CCC([N@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000120097527 188073963 /nfs/dbraw/zinc/07/39/63/188073963.db2.gz OETFZQWMEHDBGC-AWEZNQCLSA-N 2 2 222.376 2.489 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000336756214 353153203 /nfs/dbraw/zinc/15/32/03/353153203.db2.gz GVDFBPVTNLVFDX-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000336756214 353153206 /nfs/dbraw/zinc/15/32/06/353153206.db2.gz GVDFBPVTNLVFDX-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[NH+](C)c1ccc(NC2CC[NH+](C)CC2)cc1 ZINC000036335232 188112510 /nfs/dbraw/zinc/11/25/10/188112510.db2.gz CWUANPWTTSXBHT-UHFFFAOYSA-N 2 2 233.359 2.259 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCSC1 ZINC000037166743 188105884 /nfs/dbraw/zinc/10/58/84/188105884.db2.gz ZPRIELJPHORXIA-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP CC(C)[NH+](CCCn1cc[nH+]c1)C(C)C ZINC000090215723 188144570 /nfs/dbraw/zinc/14/45/70/188144570.db2.gz IVNWSQVDZUTPTL-UHFFFAOYSA-N 2 2 209.337 2.392 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000261547468 535209491 /nfs/dbraw/zinc/20/94/91/535209491.db2.gz IEALHDQVBJUCPB-UHFFFAOYSA-N 2 2 244.285 2.115 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336755959 188171648 /nfs/dbraw/zinc/17/16/48/188171648.db2.gz JCURRPOCHQTJCC-NEPJUHHUSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336755959 188171650 /nfs/dbraw/zinc/17/16/50/188171650.db2.gz JCURRPOCHQTJCC-NEPJUHHUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CC(C)(C)[NH+](C)C ZINC000336765482 188175212 /nfs/dbraw/zinc/17/52/12/188175212.db2.gz RGFLYWKHSXTEFN-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)nc1 ZINC000337275411 188185204 /nfs/dbraw/zinc/18/52/04/188185204.db2.gz QHHQVHSVCDPKEC-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)nc1 ZINC000337275411 188185205 /nfs/dbraw/zinc/18/52/05/188185205.db2.gz QHHQVHSVCDPKEC-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCCOC2)c[nH+]1 ZINC000354125888 188186244 /nfs/dbraw/zinc/18/62/44/188186244.db2.gz UOJMMFNZTYGCJD-OAHLLOKOSA-N 2 2 248.370 2.339 20 0 BEADLP CCC[C@H](CC)[NH2+]CC[N@H+](C)C(C)C ZINC000125418878 188190225 /nfs/dbraw/zinc/19/02/25/188190225.db2.gz DULBOAGWAKTPPK-LBPRGKRZSA-N 2 2 200.370 2.495 20 0 BEADLP CCC[C@H](CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000125418878 188190227 /nfs/dbraw/zinc/19/02/27/188190227.db2.gz DULBOAGWAKTPPK-LBPRGKRZSA-N 2 2 200.370 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000165304830 353294552 /nfs/dbraw/zinc/29/45/52/353294552.db2.gz URAXCEDBBODKOL-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000165304830 353294555 /nfs/dbraw/zinc/29/45/55/353294555.db2.gz URAXCEDBBODKOL-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000336769730 353297052 /nfs/dbraw/zinc/29/70/52/353297052.db2.gz SJPZWTMAZCFFPU-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000336769730 353297054 /nfs/dbraw/zinc/29/70/54/353297054.db2.gz SJPZWTMAZCFFPU-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000639071857 353388280 /nfs/dbraw/zinc/38/82/80/353388280.db2.gz PLACOSLWMGDIOQ-XJFOESAGSA-N 2 2 245.370 2.224 20 0 BEADLP C[C@@H](C1CC1)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231360736 353591394 /nfs/dbraw/zinc/59/13/94/353591394.db2.gz AJEDGGKRLRYTJE-LBPRGKRZSA-N 2 2 218.344 2.246 20 0 BEADLP C[C@@H](C1CC1)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231360736 353591397 /nfs/dbraw/zinc/59/13/97/353591397.db2.gz AJEDGGKRLRYTJE-LBPRGKRZSA-N 2 2 218.344 2.246 20 0 BEADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(F)c1 ZINC000639113667 353707639 /nfs/dbraw/zinc/70/76/39/353707639.db2.gz RALQFRKLKNMVIO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(F)c1 ZINC000639113667 353707641 /nfs/dbraw/zinc/70/76/41/353707641.db2.gz RALQFRKLKNMVIO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(F)c1 ZINC000639113667 353707644 /nfs/dbraw/zinc/70/76/44/353707644.db2.gz RALQFRKLKNMVIO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(F)c1 ZINC000639113667 353707647 /nfs/dbraw/zinc/70/76/47/353707647.db2.gz RALQFRKLKNMVIO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC(F)(F)C1 ZINC000529529559 353737924 /nfs/dbraw/zinc/73/79/24/353737924.db2.gz BZASUSAHEOVBQF-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC(F)(F)C1 ZINC000529529559 353737926 /nfs/dbraw/zinc/73/79/26/353737926.db2.gz BZASUSAHEOVBQF-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000334520525 353884368 /nfs/dbraw/zinc/88/43/68/353884368.db2.gz ZTUFVGXSTJGURJ-OLZOCXBDSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000334520525 353884371 /nfs/dbraw/zinc/88/43/71/353884371.db2.gz ZTUFVGXSTJGURJ-OLZOCXBDSA-N 2 2 235.375 2.331 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000343557463 353921013 /nfs/dbraw/zinc/92/10/13/353921013.db2.gz CFJMITOWHJPPKU-DOMZBBRYSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000343557463 353921017 /nfs/dbraw/zinc/92/10/17/353921017.db2.gz CFJMITOWHJPPKU-DOMZBBRYSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H](C1CCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343584233 353939836 /nfs/dbraw/zinc/93/98/36/353939836.db2.gz NFCYCMANOCVFDH-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H](C1CCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343584233 353939838 /nfs/dbraw/zinc/93/98/38/353939838.db2.gz NFCYCMANOCVFDH-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)CC12CCC2 ZINC000334560051 354111474 /nfs/dbraw/zinc/11/14/74/354111474.db2.gz JLZXOPQDVXSFEF-ZDUSSCGKSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC12CCC2 ZINC000334560051 354111477 /nfs/dbraw/zinc/11/14/77/354111477.db2.gz JLZXOPQDVXSFEF-ZDUSSCGKSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)CC1(C)C ZINC000334562189 354117542 /nfs/dbraw/zinc/11/75/42/354117542.db2.gz JTFDKXUDVKLGES-LBPRGKRZSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC1(C)C ZINC000334562189 354117545 /nfs/dbraw/zinc/11/75/45/354117545.db2.gz JTFDKXUDVKLGES-LBPRGKRZSA-N 2 2 235.375 2.331 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449708870 202006653 /nfs/dbraw/zinc/00/66/53/202006653.db2.gz HPVSIAJRVRSTOD-HUUCEWRRSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2CO)c[nH+]1 ZINC000449713583 202007324 /nfs/dbraw/zinc/00/73/24/202007324.db2.gz YMHWWAFPZZGJJJ-HUUCEWRRSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)C1CCC1 ZINC000449738466 202013224 /nfs/dbraw/zinc/01/32/24/202013224.db2.gz CBBREGHDBIQUKY-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334584353 354206237 /nfs/dbraw/zinc/20/62/37/354206237.db2.gz BTNOPDFOIVJMJX-TZMCWYRMSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334584353 354206240 /nfs/dbraw/zinc/20/62/40/354206240.db2.gz BTNOPDFOIVJMJX-TZMCWYRMSA-N 2 2 234.318 2.236 20 0 BEADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[NH2+]CC1)CCC2 ZINC000334585536 354208571 /nfs/dbraw/zinc/20/85/71/354208571.db2.gz HCALJEVRXCMPQQ-OAHLLOKOSA-N 2 2 248.345 2.498 20 0 BEADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[NH2+]CC1)CCC2 ZINC000334585536 354208575 /nfs/dbraw/zinc/20/85/75/354208575.db2.gz HCALJEVRXCMPQQ-OAHLLOKOSA-N 2 2 248.345 2.498 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000344340167 354235793 /nfs/dbraw/zinc/23/57/93/354235793.db2.gz LBRBVOGMLPXWLN-LBMWNBJUSA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000344340167 354235795 /nfs/dbraw/zinc/23/57/95/354235795.db2.gz LBRBVOGMLPXWLN-LBMWNBJUSA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000344348920 354239676 /nfs/dbraw/zinc/23/96/76/354239676.db2.gz IHRAUPPFTSBHPP-RYPNDVFKSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000344348920 354239678 /nfs/dbraw/zinc/23/96/78/354239678.db2.gz IHRAUPPFTSBHPP-RYPNDVFKSA-N 2 2 236.403 2.495 20 0 BEADLP Cn1cc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C(C)(C)C)cn1 ZINC000344802782 354378160 /nfs/dbraw/zinc/37/81/60/354378160.db2.gz DZTWEJXMQGEUGF-LBPRGKRZSA-N 2 2 247.346 2.020 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CC3(CCC3)C1)C2 ZINC000334646628 354436540 /nfs/dbraw/zinc/43/65/40/354436540.db2.gz MAFQIHLLTXXUEK-SNVBAGLBSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC000334646628 354436542 /nfs/dbraw/zinc/43/65/42/354436542.db2.gz MAFQIHLLTXXUEK-SNVBAGLBSA-N 2 2 231.343 2.189 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000334746929 354471621 /nfs/dbraw/zinc/47/16/21/354471621.db2.gz RABIJFBJQGTEBW-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000334746929 354471623 /nfs/dbraw/zinc/47/16/23/354471623.db2.gz RABIJFBJQGTEBW-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000334737896 354540159 /nfs/dbraw/zinc/54/01/59/354540159.db2.gz MYWVTGMDYXEQBP-SMDDNHRTSA-N 2 2 248.345 2.355 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000334737892 354540316 /nfs/dbraw/zinc/54/03/16/354540316.db2.gz MYWVTGMDYXEQBP-BXUZGUMPSA-N 2 2 248.345 2.355 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235448931 363444864 /nfs/dbraw/zinc/44/48/64/363444864.db2.gz DAUGSZZKFQFBME-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1csc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000335165727 354922341 /nfs/dbraw/zinc/92/23/41/354922341.db2.gz WSWKNTZATMIQLE-PWSUYJOCSA-N 2 2 224.373 2.144 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)[nH]1 ZINC000346448457 354944304 /nfs/dbraw/zinc/94/43/04/354944304.db2.gz SQXDPVLBXPGSLB-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)[nH]1 ZINC000346448457 354944307 /nfs/dbraw/zinc/94/43/07/354944307.db2.gz SQXDPVLBXPGSLB-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335177643 354947287 /nfs/dbraw/zinc/94/72/87/354947287.db2.gz KKOQTLRPVXJSBH-OCCSQVGLSA-N 2 2 246.354 2.242 20 0 BEADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)[NH+]1CCCC1 ZINC000346468353 354954637 /nfs/dbraw/zinc/95/46/37/354954637.db2.gz AISDELLJPJYLDX-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000346667838 355007442 /nfs/dbraw/zinc/00/74/42/355007442.db2.gz FGKHZJNYTNCZIY-UHFFFAOYSA-N 2 2 243.354 2.194 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000346667838 355007444 /nfs/dbraw/zinc/00/74/44/355007444.db2.gz FGKHZJNYTNCZIY-UHFFFAOYSA-N 2 2 243.354 2.194 20 0 BEADLP COc1ccccc1/C=C/C[NH+]1CCC([NH3+])CC1 ZINC000346671788 355008122 /nfs/dbraw/zinc/00/81/22/355008122.db2.gz VPXFGWDBAABQHR-GQCTYLIASA-N 2 2 246.354 2.132 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000346632885 355014166 /nfs/dbraw/zinc/01/41/66/355014166.db2.gz FJCSOFATBRYBSS-OCCSQVGLSA-N 2 2 248.370 2.092 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000346632885 355014168 /nfs/dbraw/zinc/01/41/68/355014168.db2.gz FJCSOFATBRYBSS-OCCSQVGLSA-N 2 2 248.370 2.092 20 0 BEADLP CC[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346641171 355016210 /nfs/dbraw/zinc/01/62/10/355016210.db2.gz LJHDKWJWNVOJSH-CQSZACIVSA-N 2 2 232.371 2.476 20 0 BEADLP CC[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346641171 355016212 /nfs/dbraw/zinc/01/62/12/355016212.db2.gz LJHDKWJWNVOJSH-CQSZACIVSA-N 2 2 232.371 2.476 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000335193009 355025986 /nfs/dbraw/zinc/02/59/86/355025986.db2.gz HMRCPCJNTNPNTI-QWHCGFSZSA-N 2 2 237.347 2.041 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335230372 355073137 /nfs/dbraw/zinc/07/31/37/355073137.db2.gz GGVUSWPEFYWSCF-CYBMUJFWSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000335230372 355073139 /nfs/dbraw/zinc/07/31/39/355073139.db2.gz GGVUSWPEFYWSCF-CYBMUJFWSA-N 2 2 245.326 2.311 20 0 BEADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335181382 355078948 /nfs/dbraw/zinc/07/89/48/355078948.db2.gz PMYBUYFHNLPZKH-FZMZJTMJSA-N 2 2 246.354 2.111 20 0 BEADLP CC[C@H]1COCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000347630322 355240915 /nfs/dbraw/zinc/24/09/15/355240915.db2.gz DJHVIBRLZOMSQX-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@H]1COCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000347630322 355240918 /nfs/dbraw/zinc/24/09/18/355240918.db2.gz DJHVIBRLZOMSQX-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)OC ZINC000412979433 191348211 /nfs/dbraw/zinc/34/82/11/191348211.db2.gz URVOBFMLXCUAND-LBPRGKRZSA-N 2 2 237.347 2.014 20 0 BEADLP CC[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)OC ZINC000412979430 191348740 /nfs/dbraw/zinc/34/87/40/191348740.db2.gz URVOBFMLXCUAND-GFCCVEGCSA-N 2 2 237.347 2.014 20 0 BEADLP [NH3+][C@@H](C[NH2+]C1CCSCC1)c1ccccc1 ZINC000414842962 191597222 /nfs/dbraw/zinc/59/72/22/191597222.db2.gz ZVTNOQIOQGSJDQ-ZDUSSCGKSA-N 2 2 236.384 2.172 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000414890022 191616765 /nfs/dbraw/zinc/61/67/65/191616765.db2.gz GXJBAPVENKWKBP-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000415118785 191682800 /nfs/dbraw/zinc/68/28/00/191682800.db2.gz HPMDOFPTSFXHAV-VXGBXAGGSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC(C)(C)C[C@H]1C ZINC000415118785 191682802 /nfs/dbraw/zinc/68/28/02/191682802.db2.gz HPMDOFPTSFXHAV-VXGBXAGGSA-N 2 2 212.381 2.480 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000335858573 355603617 /nfs/dbraw/zinc/60/36/17/355603617.db2.gz CUOUKKSGVPESPY-CQSZACIVSA-N 2 2 241.338 2.296 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639303222 355652655 /nfs/dbraw/zinc/65/26/55/355652655.db2.gz NYECCODFQCPNOW-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639303222 355652658 /nfs/dbraw/zinc/65/26/58/355652658.db2.gz NYECCODFQCPNOW-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC1(F)F ZINC000639304769 355659749 /nfs/dbraw/zinc/65/97/49/355659749.db2.gz BEKDBALOAPBNNL-GARJFASQSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC1(F)F ZINC000639304769 355659752 /nfs/dbraw/zinc/65/97/52/355659752.db2.gz BEKDBALOAPBNNL-GARJFASQSA-N 2 2 246.345 2.493 20 0 BEADLP Cc1scc(C[N@H+](C)CC2C[NH+](C)C2)c1C ZINC000639308902 355664898 /nfs/dbraw/zinc/66/48/98/355664898.db2.gz FLNADIRTDCIZQR-UHFFFAOYSA-N 2 2 238.400 2.358 20 0 BEADLP Cc1scc(C[N@@H+](C)CC2C[NH+](C)C2)c1C ZINC000639308902 355664899 /nfs/dbraw/zinc/66/48/99/355664899.db2.gz FLNADIRTDCIZQR-UHFFFAOYSA-N 2 2 238.400 2.358 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000639331456 355748462 /nfs/dbraw/zinc/74/84/62/355748462.db2.gz YKMGYTCWEPJROZ-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000639331456 355748466 /nfs/dbraw/zinc/74/84/66/355748466.db2.gz YKMGYTCWEPJROZ-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC1(C)C ZINC000353249225 355767278 /nfs/dbraw/zinc/76/72/78/355767278.db2.gz MOWNBHACBAAGBM-AXFHLTTASA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC1(C)C ZINC000353249225 355767282 /nfs/dbraw/zinc/76/72/82/355767282.db2.gz MOWNBHACBAAGBM-AXFHLTTASA-N 2 2 233.359 2.291 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000417350790 191790784 /nfs/dbraw/zinc/79/07/84/191790784.db2.gz BGXNVDINJIEFHF-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC(c3ccccc3)C2)n1C ZINC000639361849 355816155 /nfs/dbraw/zinc/81/61/55/355816155.db2.gz VDFTWLQBBDRGLD-UHFFFAOYSA-N 2 2 241.338 2.328 20 0 BEADLP CCC1([NH+](C)C)CC[NH+](Cc2cccn2C)CC1 ZINC000639378180 355911472 /nfs/dbraw/zinc/91/14/72/355911472.db2.gz DVFZRVVPTCJXSU-UHFFFAOYSA-N 2 2 249.402 2.331 20 0 BEADLP CCC1([NH+](C)C)CC[NH+](Cc2cccnc2)CC1 ZINC000639380138 355916366 /nfs/dbraw/zinc/91/63/66/355916366.db2.gz WBEJRFXKGTUVCJ-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CC1([NH+]2CCCC2)CC[NH+](CC2(F)CC2)CC1 ZINC000639375570 355889240 /nfs/dbraw/zinc/88/92/40/355889240.db2.gz XJZNRBOCARTESB-UHFFFAOYSA-N 2 2 240.366 2.439 20 0 BEADLP CC(C)C(C[NH2+]C[C@H](C)[NH+](C)C)C(C)C ZINC000389358901 355977780 /nfs/dbraw/zinc/97/77/80/355977780.db2.gz CMWRBACXPVSNNJ-LBPRGKRZSA-N 2 2 214.397 2.454 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351321605 355978254 /nfs/dbraw/zinc/97/82/54/355978254.db2.gz BNTFVZGKCQDWLW-IJLUTSLNSA-N 2 2 219.332 2.245 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351321605 355978256 /nfs/dbraw/zinc/97/82/56/355978256.db2.gz BNTFVZGKCQDWLW-IJLUTSLNSA-N 2 2 219.332 2.245 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@H]1C ZINC000351232414 355965167 /nfs/dbraw/zinc/96/51/67/355965167.db2.gz XWSUUNCHDFJHKY-SYQHCUMBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[C@H]1C ZINC000351232414 355965171 /nfs/dbraw/zinc/96/51/71/355965171.db2.gz XWSUUNCHDFJHKY-SYQHCUMBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@H]1C ZINC000351232414 355965177 /nfs/dbraw/zinc/96/51/77/355965177.db2.gz XWSUUNCHDFJHKY-SYQHCUMBSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1C ZINC000351232414 355965183 /nfs/dbraw/zinc/96/51/83/355965183.db2.gz XWSUUNCHDFJHKY-SYQHCUMBSA-N 2 2 222.376 2.201 20 0 BEADLP FCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351889862 356153324 /nfs/dbraw/zinc/15/33/24/356153324.db2.gz LUBMOIFEXFJUHL-CYBMUJFWSA-N 2 2 238.306 2.284 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nccs1 ZINC000336103254 134084077 /nfs/dbraw/zinc/08/40/77/134084077.db2.gz UMWIHDGDJGADMH-UWVGGRQHSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192391028 356182742 /nfs/dbraw/zinc/18/27/42/356182742.db2.gz IRDQBUQTALAYGG-NWDGAFQWSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000192390126 356182896 /nfs/dbraw/zinc/18/28/96/356182896.db2.gz RFHPLJDPFZBTGA-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)c1nc(N2CC[C@H](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000420264322 192191938 /nfs/dbraw/zinc/19/19/38/192191938.db2.gz UTIHEPBIPFLCFE-RYUDHWBXSA-N 2 2 248.374 2.164 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000420285139 192200035 /nfs/dbraw/zinc/20/00/35/192200035.db2.gz DVGHBJLJUOUBHS-LBPRGKRZSA-N 2 2 224.373 2.104 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000420285139 192200037 /nfs/dbraw/zinc/20/00/37/192200037.db2.gz DVGHBJLJUOUBHS-LBPRGKRZSA-N 2 2 224.373 2.104 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290930 192200920 /nfs/dbraw/zinc/20/09/20/192200920.db2.gz MQCWOTXBMMLLEV-PWSUYJOCSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290930 192200922 /nfs/dbraw/zinc/20/09/22/192200922.db2.gz MQCWOTXBMMLLEV-PWSUYJOCSA-N 2 2 249.358 2.111 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c(C)n1 ZINC000420289980 192201378 /nfs/dbraw/zinc/20/13/78/192201378.db2.gz LAHJBDOTOJACKL-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c(C)n1 ZINC000420289980 192201381 /nfs/dbraw/zinc/20/13/81/192201381.db2.gz LAHJBDOTOJACKL-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccccc1 ZINC000420353909 192218003 /nfs/dbraw/zinc/21/80/03/192218003.db2.gz AVIDRXITKYUXAP-YRGRVCCFSA-N 2 2 218.344 2.163 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)CCOC)C1CCCC1 ZINC000395683534 356375859 /nfs/dbraw/zinc/37/58/59/356375859.db2.gz OWZOBQZJHDYVLR-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)CCOC)C1CCCC1 ZINC000395683534 356375862 /nfs/dbraw/zinc/37/58/62/356375862.db2.gz OWZOBQZJHDYVLR-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)(C)CCC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000420329599 192229217 /nfs/dbraw/zinc/22/92/17/192229217.db2.gz JZLZEPDZSMGOSU-ZDUSSCGKSA-N 2 2 230.371 2.446 20 0 BEADLP CC(C)(C)CCC[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000420329599 192229218 /nfs/dbraw/zinc/22/92/18/192229218.db2.gz JZLZEPDZSMGOSU-ZDUSSCGKSA-N 2 2 230.371 2.446 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1cccnc1 ZINC000420372268 192229389 /nfs/dbraw/zinc/22/93/89/192229389.db2.gz QFEVCGWNXXJHPN-OWTLIXCDSA-N 2 2 233.359 2.119 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Cl ZINC000420372124 192230033 /nfs/dbraw/zinc/23/00/33/192230033.db2.gz LCDXNXHZXFHSDR-BDAKNGLRSA-N 2 2 212.724 2.338 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccncc1Cl ZINC000420358399 192220430 /nfs/dbraw/zinc/22/04/30/192220430.db2.gz IQLAHDFJWDFFDN-NSHDSACASA-N 2 2 241.766 2.198 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1F ZINC000420360058 192222951 /nfs/dbraw/zinc/22/29/51/192222951.db2.gz GTWZOGWMYPBIRA-UHIISALHSA-N 2 2 236.334 2.302 20 0 BEADLP CC[C@H](C)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420384826 192234545 /nfs/dbraw/zinc/23/45/45/192234545.db2.gz GVUMSQLERQPEHL-LEWSCRJBSA-N 2 2 236.334 2.351 20 0 BEADLP CC[C@H](C)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420384826 192234546 /nfs/dbraw/zinc/23/45/46/192234546.db2.gz GVUMSQLERQPEHL-LEWSCRJBSA-N 2 2 236.334 2.351 20 0 BEADLP C[NH2+]CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000420416256 192241446 /nfs/dbraw/zinc/24/14/46/192241446.db2.gz VPCPRWIIHJZJKQ-VIFPVBQESA-N 2 2 228.286 2.225 20 0 BEADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CC[NH3+] ZINC000420374531 192231605 /nfs/dbraw/zinc/23/16/05/192231605.db2.gz NYTSCYHOKDOKFU-GXTWGEPZSA-N 2 2 248.370 2.427 20 0 BEADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CC[NH3+] ZINC000420374531 192231610 /nfs/dbraw/zinc/23/16/10/192231610.db2.gz NYTSCYHOKDOKFU-GXTWGEPZSA-N 2 2 248.370 2.427 20 0 BEADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC[NH3+] ZINC000420374533 192231670 /nfs/dbraw/zinc/23/16/70/192231670.db2.gz NYTSCYHOKDOKFU-JSGCOSHPSA-N 2 2 248.370 2.427 20 0 BEADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC[NH3+] ZINC000420374533 192231673 /nfs/dbraw/zinc/23/16/73/192231673.db2.gz NYTSCYHOKDOKFU-JSGCOSHPSA-N 2 2 248.370 2.427 20 0 BEADLP CC[C@H]1C[N@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@@H]1O ZINC000639553728 356455149 /nfs/dbraw/zinc/45/51/49/356455149.db2.gz GZKTWAHOVKITFO-ZFWWWQNUSA-N 2 2 248.370 2.210 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C[C@@H]1O ZINC000639553728 356455154 /nfs/dbraw/zinc/45/51/54/356455154.db2.gz GZKTWAHOVKITFO-ZFWWWQNUSA-N 2 2 248.370 2.210 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H](C3CCCC3)C2)c[nH+]1 ZINC000420960166 192282260 /nfs/dbraw/zinc/28/22/60/192282260.db2.gz GILJKZMUIUMVJR-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H](C3CCCC3)C2)c[nH+]1 ZINC000420960166 192282263 /nfs/dbraw/zinc/28/22/63/192282263.db2.gz GILJKZMUIUMVJR-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP CC[NH+]1CCC(CCNc2cc(C)[nH+]cn2)CC1 ZINC000301464864 356540281 /nfs/dbraw/zinc/54/02/81/356540281.db2.gz PMIUHSUKADKVFA-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449781958 202035133 /nfs/dbraw/zinc/03/51/33/202035133.db2.gz JTEGNZFRWWTBCI-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449781958 202035136 /nfs/dbraw/zinc/03/51/36/202035136.db2.gz JTEGNZFRWWTBCI-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449785039 202035235 /nfs/dbraw/zinc/03/52/35/202035235.db2.gz ZMKHMYMMZGOYGD-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449785039 202035239 /nfs/dbraw/zinc/03/52/39/202035239.db2.gz ZMKHMYMMZGOYGD-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP Cc1cc(C[N@@H+]2CC[NH+]3CCC2CC3)cs1 ZINC000336214477 134136227 /nfs/dbraw/zinc/13/62/27/134136227.db2.gz VKDVZEDRERWUOA-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP Cc1cc(C[N@H+]2CC[NH+]3CCC2CC3)cs1 ZINC000336214477 134136228 /nfs/dbraw/zinc/13/62/28/134136228.db2.gz VKDVZEDRERWUOA-UHFFFAOYSA-N 2 2 236.384 2.337 20 0 BEADLP CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)[C@@H](C)CO ZINC000639658447 356567144 /nfs/dbraw/zinc/56/71/44/356567144.db2.gz YWRCRGBULLKJLI-LBPRGKRZSA-N 2 2 236.359 2.210 20 0 BEADLP CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)[C@@H](C)CO ZINC000639658447 356567146 /nfs/dbraw/zinc/56/71/46/356567146.db2.gz YWRCRGBULLKJLI-LBPRGKRZSA-N 2 2 236.359 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C2(CO)CCC2)c(C)[nH+]1 ZINC000639656265 356572134 /nfs/dbraw/zinc/57/21/34/356572134.db2.gz ZDNGTPANFJXEBO-UHFFFAOYSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C2(CO)CCC2)c(C)[nH+]1 ZINC000639656265 356572138 /nfs/dbraw/zinc/57/21/38/356572138.db2.gz ZDNGTPANFJXEBO-UHFFFAOYSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(C)[nH+]1 ZINC000639685690 356600734 /nfs/dbraw/zinc/60/07/34/356600734.db2.gz LQQMXPNBHUINOT-TZMCWYRMSA-N 2 2 248.370 2.352 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000356879433 356808412 /nfs/dbraw/zinc/80/84/12/356808412.db2.gz TVEVFUXWHXPHBI-GFCCVEGCSA-N 2 2 235.375 2.246 20 0 BEADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccn1 ZINC000623371891 356881139 /nfs/dbraw/zinc/88/11/39/356881139.db2.gz XVIPIKOOTPLODC-UHFFFAOYSA-N 2 2 244.342 2.157 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155853553 538735352 /nfs/dbraw/zinc/73/53/52/538735352.db2.gz IARFXIMQCRYLBA-RYUDHWBXSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155853553 538735360 /nfs/dbraw/zinc/73/53/60/538735360.db2.gz IARFXIMQCRYLBA-RYUDHWBXSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000155624775 538722796 /nfs/dbraw/zinc/72/27/96/538722796.db2.gz BCXJGEZBMLBYLB-GFCCVEGCSA-N 2 2 244.342 2.012 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000353521148 538750328 /nfs/dbraw/zinc/75/03/28/538750328.db2.gz PFXAIGJIRJZCHZ-NEPJUHHUSA-N 2 2 238.379 2.037 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389546273 356986414 /nfs/dbraw/zinc/98/64/14/356986414.db2.gz MEFCNXILSFUABA-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389546273 356986418 /nfs/dbraw/zinc/98/64/18/356986418.db2.gz MEFCNXILSFUABA-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1C[NH2+]C1 ZINC000582295552 357028896 /nfs/dbraw/zinc/02/88/96/357028896.db2.gz YIAJWKAVXYHMRH-GBIKHYSHSA-N 2 2 234.343 2.101 20 0 BEADLP CC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000582277328 357001899 /nfs/dbraw/zinc/00/18/99/357001899.db2.gz MSXSNFABUJJWNT-UHFFFAOYSA-N 2 2 219.332 2.389 20 0 BEADLP CC(C)C[C@H](C[NH2+]CC1(C)CC1)[NH+](C)C ZINC000389872015 357058274 /nfs/dbraw/zinc/05/82/74/357058274.db2.gz JVJYWGXKYQWZOY-GFCCVEGCSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]CC[NH+]1CCCC1 ZINC000166443502 538793177 /nfs/dbraw/zinc/79/31/77/538793177.db2.gz PQOLTSZYGXEUAW-LBPRGKRZSA-N 2 2 238.400 2.365 20 0 BEADLP CCC[C@H](C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389904836 357064975 /nfs/dbraw/zinc/06/49/75/357064975.db2.gz GFIMNPBGDKSXFU-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP CCC[C@H](C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389904836 357064980 /nfs/dbraw/zinc/06/49/80/357064980.db2.gz GFIMNPBGDKSXFU-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389964643 357075118 /nfs/dbraw/zinc/07/51/18/357075118.db2.gz WZCQDRDSROWPEW-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389964643 357075120 /nfs/dbraw/zinc/07/51/20/357075120.db2.gz WZCQDRDSROWPEW-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389964641 357075338 /nfs/dbraw/zinc/07/53/38/357075338.db2.gz WZCQDRDSROWPEW-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389964641 357075341 /nfs/dbraw/zinc/07/53/41/357075341.db2.gz WZCQDRDSROWPEW-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1CCCOC1 ZINC000423233672 192642309 /nfs/dbraw/zinc/64/23/09/192642309.db2.gz DZSLOSJRUGGPGW-CFVMTHIKSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000391169754 357125653 /nfs/dbraw/zinc/12/56/53/357125653.db2.gz FQQXUPXYXKQYBK-GJZGRUSLSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000391169754 357125656 /nfs/dbraw/zinc/12/56/56/357125656.db2.gz FQQXUPXYXKQYBK-GJZGRUSLSA-N 2 2 245.370 2.106 20 0 BEADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000122480425 357178040 /nfs/dbraw/zinc/17/80/40/357178040.db2.gz CYLIVZFJQQALKJ-CHWSQXEVSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CC[C@@H](C)[NH+]1CCCc1c[nH+]cn1C ZINC000582734375 357378657 /nfs/dbraw/zinc/37/86/57/357378657.db2.gz WRTPVZWBPAXURN-VXGBXAGGSA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000582734373 357378331 /nfs/dbraw/zinc/37/83/31/357378331.db2.gz WRTPVZWBPAXURN-TXEJJXNPSA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000582734373 357378334 /nfs/dbraw/zinc/37/83/34/357378334.db2.gz WRTPVZWBPAXURN-TXEJJXNPSA-N 2 2 221.348 2.226 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157805961 538841234 /nfs/dbraw/zinc/84/12/34/538841234.db2.gz RSOPYWRISQFFOD-UONOGXRCSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157805961 538841239 /nfs/dbraw/zinc/84/12/39/538841239.db2.gz RSOPYWRISQFFOD-UONOGXRCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623410611 357506107 /nfs/dbraw/zinc/50/61/07/357506107.db2.gz XTGJUSHNUPUHJX-DDWPSWQVSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623410611 357506111 /nfs/dbraw/zinc/50/61/11/357506111.db2.gz XTGJUSHNUPUHJX-DDWPSWQVSA-N 2 2 248.414 2.495 20 0 BEADLP COC1CCC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000230389582 357532132 /nfs/dbraw/zinc/53/21/32/357532132.db2.gz LLGFPUILLKYKAG-LKSINWNRSA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000230389582 357532135 /nfs/dbraw/zinc/53/21/35/357532135.db2.gz LLGFPUILLKYKAG-LKSINWNRSA-N 2 2 240.391 2.016 20 0 BEADLP c1ccc(NCCC[NH2+]Cc2cccnc2)[nH+]c1 ZINC000063197165 357593856 /nfs/dbraw/zinc/59/38/56/357593856.db2.gz VWJMEMMLWCLBAD-UHFFFAOYSA-N 2 2 242.326 2.068 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCOc2ccccc21)[NH+](C)C ZINC000159073211 538872846 /nfs/dbraw/zinc/87/28/46/538872846.db2.gz ZVDPQKLPBMJKQP-OLZOCXBDSA-N 2 2 248.370 2.092 20 0 BEADLP CC(C)C1CC([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000232536583 357669964 /nfs/dbraw/zinc/66/99/64/357669964.db2.gz MFEAFGRPXDSWSN-UHFFFAOYSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1CC([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000232538592 357670335 /nfs/dbraw/zinc/67/03/35/357670335.db2.gz NVZONDZESQIJDG-HIFPTAJRSA-N 2 2 221.348 2.296 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](F)C2)C[N@@H+]1C1CC1 ZINC000583871721 358074622 /nfs/dbraw/zinc/07/46/22/358074622.db2.gz YCCPLFNIDDYNJB-NDBYEHHHSA-N 2 2 240.366 2.482 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](F)C2)C[N@H+]1C1CC1 ZINC000583871721 358074625 /nfs/dbraw/zinc/07/46/25/358074625.db2.gz YCCPLFNIDDYNJB-NDBYEHHHSA-N 2 2 240.366 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000583872594 358081439 /nfs/dbraw/zinc/08/14/39/358081439.db2.gz UXZDTOUWCODGTL-WUHRBBMRSA-N 2 2 210.365 2.234 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000583872594 358081441 /nfs/dbraw/zinc/08/14/41/358081441.db2.gz UXZDTOUWCODGTL-WUHRBBMRSA-N 2 2 210.365 2.234 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000218552391 134254485 /nfs/dbraw/zinc/25/44/85/134254485.db2.gz ZDCNYWKDPCKHTA-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000218552391 134254486 /nfs/dbraw/zinc/25/44/86/134254486.db2.gz ZDCNYWKDPCKHTA-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000584756530 358169387 /nfs/dbraw/zinc/16/93/87/358169387.db2.gz PNMDJSSBEPOXKD-UPJWGTAASA-N 2 2 233.359 2.366 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000225139930 358246873 /nfs/dbraw/zinc/24/68/73/358246873.db2.gz ZDURJWUOBBJZAI-JTQLQIEISA-N 2 2 224.373 2.152 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327583 358372735 /nfs/dbraw/zinc/37/27/35/358372735.db2.gz IJFOZXOIMATKEW-ZYHUDNBSSA-N 2 2 224.373 2.021 20 0 BEADLP Fc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1F ZINC000228408309 358375327 /nfs/dbraw/zinc/37/53/27/358375327.db2.gz OGLMSRGQDHISHG-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684638 358552099 /nfs/dbraw/zinc/55/20/99/358552099.db2.gz KZIKWHSUTSUNSE-DGCLKSJQSA-N 2 2 246.354 2.280 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684638 358552101 /nfs/dbraw/zinc/55/21/01/358552101.db2.gz KZIKWHSUTSUNSE-DGCLKSJQSA-N 2 2 246.354 2.280 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684640 358552309 /nfs/dbraw/zinc/55/23/09/358552309.db2.gz KZIKWHSUTSUNSE-AAEUAGOBSA-N 2 2 246.354 2.280 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(O)c1 ZINC000044684640 358552312 /nfs/dbraw/zinc/55/23/12/358552312.db2.gz KZIKWHSUTSUNSE-AAEUAGOBSA-N 2 2 246.354 2.280 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000166889173 358577536 /nfs/dbraw/zinc/57/75/36/358577536.db2.gz OFLNRHPTQIRQNU-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000166889173 358577539 /nfs/dbraw/zinc/57/75/39/358577539.db2.gz OFLNRHPTQIRQNU-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CO[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049574989 358695150 /nfs/dbraw/zinc/69/51/50/358695150.db2.gz JSNMUIRTQUXWPA-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CO[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049574991 358695448 /nfs/dbraw/zinc/69/54/48/358695448.db2.gz JSNMUIRTQUXWPA-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H](c1c(F)cccc1F)[N@H+](C)CCC[NH3+] ZINC000133216496 358749213 /nfs/dbraw/zinc/74/92/13/358749213.db2.gz DWDUUWHLVCLYPJ-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCC[NH3+] ZINC000133216496 358749215 /nfs/dbraw/zinc/74/92/15/358749215.db2.gz DWDUUWHLVCLYPJ-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP Cc1ccc(OCCC[N@@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000050242589 358720952 /nfs/dbraw/zinc/72/09/52/358720952.db2.gz GQMFBPRUNLCFPX-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(OCCC[N@H+]2CC[C@@H]([NH3+])C2)cc1C ZINC000050242589 358720958 /nfs/dbraw/zinc/72/09/58/358720958.db2.gz GQMFBPRUNLCFPX-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP [NH3+]CCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000050872109 358738265 /nfs/dbraw/zinc/73/82/65/358738265.db2.gz KRSLMLAYNLOUBW-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+]CCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000050872109 358738270 /nfs/dbraw/zinc/73/82/70/358738270.db2.gz KRSLMLAYNLOUBW-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000134769133 358805041 /nfs/dbraw/zinc/80/50/41/358805041.db2.gz YZAPPXJTYSXZJR-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000134769133 358805045 /nfs/dbraw/zinc/80/50/45/358805045.db2.gz YZAPPXJTYSXZJR-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000069801080 359033911 /nfs/dbraw/zinc/03/39/11/359033911.db2.gz MMGSNMABOMTLIX-ZDUSSCGKSA-N 2 2 220.360 2.331 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000069801080 359033916 /nfs/dbraw/zinc/03/39/16/359033916.db2.gz MMGSNMABOMTLIX-ZDUSSCGKSA-N 2 2 220.360 2.331 20 0 BEADLP Cc1c[nH+]ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000070047250 359039802 /nfs/dbraw/zinc/03/98/02/359039802.db2.gz QZFXZYCWULUNEK-LLVKDONJSA-N 2 2 216.288 2.087 20 0 BEADLP CC(C)C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000070079416 359040154 /nfs/dbraw/zinc/04/01/54/359040154.db2.gz YHQHXLTVGPHBAP-CQSZACIVSA-N 2 2 218.344 2.201 20 0 BEADLP CC(C)C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000070079416 359040156 /nfs/dbraw/zinc/04/01/56/359040156.db2.gz YHQHXLTVGPHBAP-CQSZACIVSA-N 2 2 218.344 2.201 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)o1 ZINC000423318945 192703712 /nfs/dbraw/zinc/70/37/12/192703712.db2.gz LEVAMMWHPVKJDN-TVQRCGJNSA-N 2 2 222.332 2.284 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CCOC ZINC000070978407 359067887 /nfs/dbraw/zinc/06/78/87/359067887.db2.gz MAWZXCLWORBGDW-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000070978407 359067890 /nfs/dbraw/zinc/06/78/90/359067890.db2.gz MAWZXCLWORBGDW-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)no1 ZINC000423335516 192714305 /nfs/dbraw/zinc/71/43/05/192714305.db2.gz IZSMOPVJGDFPFZ-WCQYABFASA-N 2 2 237.347 2.023 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423343380 192721000 /nfs/dbraw/zinc/72/10/00/192721000.db2.gz WDAVOZZVJCFBGN-MJBXVCDLSA-N 2 2 242.407 2.027 20 0 BEADLP CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247791250 359245977 /nfs/dbraw/zinc/24/59/77/359245977.db2.gz ZCDDWTMMFFIMPY-RYUDHWBXSA-N 2 2 207.321 2.176 20 0 BEADLP CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247791250 359245979 /nfs/dbraw/zinc/24/59/79/359245979.db2.gz ZCDDWTMMFFIMPY-RYUDHWBXSA-N 2 2 207.321 2.176 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248033570 359252055 /nfs/dbraw/zinc/25/20/55/359252055.db2.gz QZTVPZHPABLANL-HZSPNIEDSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248033570 359252059 /nfs/dbraw/zinc/25/20/59/359252059.db2.gz QZTVPZHPABLANL-HZSPNIEDSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423378794 192755611 /nfs/dbraw/zinc/75/56/11/192755611.db2.gz ZXLNMEQNBHEEKL-SGMGOOAPSA-N 2 2 233.359 2.039 20 0 BEADLP CCc1nc(NC[C@H]2CCC[N@H+]2CC)cc(C)[nH+]1 ZINC000287030570 359536294 /nfs/dbraw/zinc/53/62/94/359536294.db2.gz QWSFJLMGNTWIGV-GFCCVEGCSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(NC[C@H]2CCC[N@@H+]2CC)cc(C)[nH+]1 ZINC000287030570 359536297 /nfs/dbraw/zinc/53/62/97/359536297.db2.gz QWSFJLMGNTWIGV-GFCCVEGCSA-N 2 2 248.374 2.244 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC2(CCC2)C1 ZINC000379543523 359540032 /nfs/dbraw/zinc/54/00/32/359540032.db2.gz UTIHYHKXFOYPRP-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCC2(CCC2)C1 ZINC000379543523 359540038 /nfs/dbraw/zinc/54/00/38/359540038.db2.gz UTIHYHKXFOYPRP-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000308967661 491141184 /nfs/dbraw/zinc/14/11/84/491141184.db2.gz WXWBJGPPCRLRQO-LLVKDONJSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000308967661 491141185 /nfs/dbraw/zinc/14/11/85/491141185.db2.gz WXWBJGPPCRLRQO-LLVKDONJSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H]1CSCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000379573539 359549147 /nfs/dbraw/zinc/54/91/47/359549147.db2.gz XORFGXZLEUWSAM-LLVKDONJSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@H]1CSCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000379573539 359549149 /nfs/dbraw/zinc/54/91/49/359549149.db2.gz XORFGXZLEUWSAM-LLVKDONJSA-N 2 2 230.421 2.059 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC(C2CC2)C2CC2)n1C ZINC000580451976 359559685 /nfs/dbraw/zinc/55/96/85/359559685.db2.gz MZMZGGPHWUHJEQ-UHFFFAOYSA-N 2 2 233.359 2.254 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC=C(Cl)Cl ZINC000403624763 359631572 /nfs/dbraw/zinc/63/15/72/359631572.db2.gz LSJZDOBZJSKMBT-HTQZYQBOSA-N 2 2 223.147 2.117 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC=C(Cl)Cl ZINC000403624763 359631577 /nfs/dbraw/zinc/63/15/77/359631577.db2.gz LSJZDOBZJSKMBT-HTQZYQBOSA-N 2 2 223.147 2.117 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000309007699 491142269 /nfs/dbraw/zinc/14/22/69/491142269.db2.gz QLUBRQJZFMKRCL-SDDRHHMPSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000309007699 491142270 /nfs/dbraw/zinc/14/22/70/491142270.db2.gz QLUBRQJZFMKRCL-SDDRHHMPSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)COc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000107290799 359738077 /nfs/dbraw/zinc/73/80/77/359738077.db2.gz AUYZRXQATGCOAL-UHFFFAOYSA-N 2 2 236.359 2.112 20 0 BEADLP CC(C)COc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000107290799 359738083 /nfs/dbraw/zinc/73/80/83/359738083.db2.gz AUYZRXQATGCOAL-UHFFFAOYSA-N 2 2 236.359 2.112 20 0 BEADLP CCCC1(C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000578523414 366590636 /nfs/dbraw/zinc/59/06/36/366590636.db2.gz BNQMFIGUAJURLW-UHFFFAOYSA-N 2 2 221.348 2.398 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087770970 359926392 /nfs/dbraw/zinc/92/63/92/359926392.db2.gz AKERRPBEECJFPG-NWDGAFQWSA-N 2 2 221.348 2.440 20 0 BEADLP CCc1cc(NCCCn2cc[nH+]c2)nc(C)[nH+]1 ZINC000088760132 359977083 /nfs/dbraw/zinc/97/70/83/359977083.db2.gz AOQUQSWIWVZQEX-UHFFFAOYSA-N 2 2 245.330 2.046 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC1CCC1 ZINC000133144389 491147207 /nfs/dbraw/zinc/14/72/07/491147207.db2.gz ROUGNLVVRDDLJK-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC1CCC1 ZINC000133144389 491147208 /nfs/dbraw/zinc/14/72/08/491147208.db2.gz ROUGNLVVRDDLJK-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP COc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090721055 360084760 /nfs/dbraw/zinc/08/47/60/360084760.db2.gz AYYBMXHVSDFZNR-JSGCOSHPSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090721055 360084764 /nfs/dbraw/zinc/08/47/64/360084764.db2.gz AYYBMXHVSDFZNR-JSGCOSHPSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091671377 360122653 /nfs/dbraw/zinc/12/26/53/360122653.db2.gz XCTWALFUPVMXBC-UHFFFAOYSA-N 2 2 248.370 2.221 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094372101 360306172 /nfs/dbraw/zinc/30/61/72/360306172.db2.gz RHQKOSYIAFAKLP-ZDUSSCGKSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094372101 360306176 /nfs/dbraw/zinc/30/61/76/360306176.db2.gz RHQKOSYIAFAKLP-ZDUSSCGKSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094372100 360306424 /nfs/dbraw/zinc/30/64/24/360306424.db2.gz RHQKOSYIAFAKLP-CYBMUJFWSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094372100 360306426 /nfs/dbraw/zinc/30/64/26/360306426.db2.gz RHQKOSYIAFAKLP-CYBMUJFWSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](Cc1ccccn1)C[C@@H]([NH3+])CC(C)C ZINC000094918392 360327777 /nfs/dbraw/zinc/32/77/77/360327777.db2.gz WSRATMVWPJAJEY-ZDUSSCGKSA-N 2 2 235.375 2.277 20 0 BEADLP CC[N@H+](Cc1ccccn1)C[C@@H]([NH3+])CC(C)C ZINC000094918392 360327781 /nfs/dbraw/zinc/32/77/81/360327781.db2.gz WSRATMVWPJAJEY-ZDUSSCGKSA-N 2 2 235.375 2.277 20 0 BEADLP Cc1cccn2c(C[NH2+]CC(C)(C)F)c[nH+]c12 ZINC000631189290 360372981 /nfs/dbraw/zinc/37/29/81/360372981.db2.gz MFRCZPXKCAFSMS-UHFFFAOYSA-N 2 2 235.306 2.480 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000309487911 491149650 /nfs/dbraw/zinc/14/96/50/491149650.db2.gz WAXZUULSNFFVCH-ZIAGYGMSSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000309487911 491149651 /nfs/dbraw/zinc/14/96/51/491149651.db2.gz WAXZUULSNFFVCH-ZIAGYGMSSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CC1 ZINC000309487910 491149669 /nfs/dbraw/zinc/14/96/69/491149669.db2.gz WAXZUULSNFFVCH-UONOGXRCSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CC1)C1CC1 ZINC000309487910 491149670 /nfs/dbraw/zinc/14/96/70/491149670.db2.gz WAXZUULSNFFVCH-UONOGXRCSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC23CC3)n1C ZINC000631193031 360590923 /nfs/dbraw/zinc/59/09/23/360590923.db2.gz MNBSHUDQEQWRSJ-GFCCVEGCSA-N 2 2 219.332 2.151 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000133304209 491150593 /nfs/dbraw/zinc/15/05/93/491150593.db2.gz LUDJRTBOTQADDF-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000133304209 491150594 /nfs/dbraw/zinc/15/05/94/491150594.db2.gz LUDJRTBOTQADDF-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000309634744 491153276 /nfs/dbraw/zinc/15/32/76/491153276.db2.gz JAGXMCFBMJDWJO-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000309634744 491153277 /nfs/dbraw/zinc/15/32/77/491153277.db2.gz JAGXMCFBMJDWJO-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H](C[NH3+])C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000414870763 200773260 /nfs/dbraw/zinc/77/32/60/200773260.db2.gz CKIFNKUNNAWJPF-VIFPVBQESA-N 2 2 241.404 2.125 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@@H](C)O2)c[nH+]1 ZINC000453623445 200794571 /nfs/dbraw/zinc/79/45/71/200794571.db2.gz BOOHILJTKDKVHD-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP c1cnc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCC2 ZINC000631562444 360987920 /nfs/dbraw/zinc/98/79/20/360987920.db2.gz FJZIZEWXAHBBSA-OAHLLOKOSA-N 2 2 245.370 2.144 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cncs1)C1CCCCC1 ZINC000414851501 219882562 /nfs/dbraw/zinc/88/25/62/219882562.db2.gz OXUUNMVTKJSVSH-LBPRGKRZSA-N 2 2 239.388 2.140 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC000629389405 361037040 /nfs/dbraw/zinc/03/70/40/361037040.db2.gz XKFPQTSABFHMMO-LSDHHAIUSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C[NH2+]1 ZINC000629393542 361042412 /nfs/dbraw/zinc/04/24/12/361042412.db2.gz BWQWVGWGZYMWSG-DBVFPWQWSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[NH2+]1 ZINC000629396245 361044056 /nfs/dbraw/zinc/04/40/56/361044056.db2.gz JPRBFUOMCBMSCR-TVQRCGJNSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000629406091 361054049 /nfs/dbraw/zinc/05/40/49/361054049.db2.gz NQFBMPGQAHYRHJ-IOXUZPACSA-N 2 2 216.328 2.040 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629406304 361054183 /nfs/dbraw/zinc/05/41/83/361054183.db2.gz MAKFATHIDOJOCU-JOYOIKCWSA-N 2 2 224.373 2.151 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000158512482 361200256 /nfs/dbraw/zinc/20/02/56/361200256.db2.gz GAZJMTWWMQDTLQ-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000158512482 361200260 /nfs/dbraw/zinc/20/02/60/361200260.db2.gz GAZJMTWWMQDTLQ-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC000159069893 361219991 /nfs/dbraw/zinc/21/99/91/361219991.db2.gz HDKKPNWEKZDBOY-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000579087326 366707787 /nfs/dbraw/zinc/70/77/87/366707787.db2.gz OMFXPXJFMIEJGQ-GFCCVEGCSA-N 2 2 228.286 2.038 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579121903 366716147 /nfs/dbraw/zinc/71/61/47/366716147.db2.gz IAMLKNFWZURJCD-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000579121903 366716150 /nfs/dbraw/zinc/71/61/50/366716150.db2.gz IAMLKNFWZURJCD-MQYQWHSLSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309822887 491157303 /nfs/dbraw/zinc/15/73/03/491157303.db2.gz WSOWRVCXUOJQJZ-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cncc(F)c1 ZINC000629539312 361404758 /nfs/dbraw/zinc/40/47/58/361404758.db2.gz NZSUOSBPRXQARZ-BREBYQMCSA-N 2 2 237.322 2.012 20 0 BEADLP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)CCC1 ZINC000429516815 201111806 /nfs/dbraw/zinc/11/18/06/201111806.db2.gz FGNIKFQIOJIWHH-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)CCC1 ZINC000429516815 201111807 /nfs/dbraw/zinc/11/18/07/201111807.db2.gz FGNIKFQIOJIWHH-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629542832 361420322 /nfs/dbraw/zinc/42/03/22/361420322.db2.gz MZISAKBEUCMTJQ-MBNYWOFBSA-N 2 2 233.359 2.181 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)n1 ZINC000629543073 361421798 /nfs/dbraw/zinc/42/17/98/361421798.db2.gz SBHKIHPABOYVJI-DDTOSNHZSA-N 2 2 247.386 2.490 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)n1 ZINC000629543075 361421907 /nfs/dbraw/zinc/42/19/07/361421907.db2.gz SBHKIHPABOYVJI-SWHYSGLUSA-N 2 2 247.386 2.490 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544678 361423011 /nfs/dbraw/zinc/42/30/11/361423011.db2.gz BKIMDRHIVVWBDS-SGMGOOAPSA-N 2 2 218.344 2.396 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545641 361426582 /nfs/dbraw/zinc/42/65/82/361426582.db2.gz NWICSDLHQAUOHI-COPLHBTASA-N 2 2 234.343 2.096 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000629546423 361427661 /nfs/dbraw/zinc/42/76/61/361427661.db2.gz PQPFMZDCNOJFJO-CUOATXAZSA-N 2 2 249.333 2.012 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1N(C)C ZINC000629546618 361428822 /nfs/dbraw/zinc/42/88/22/361428822.db2.gz UWFLCKHRYCSCGM-MBNYWOFBSA-N 2 2 247.386 2.154 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547228 361430766 /nfs/dbraw/zinc/43/07/66/361430766.db2.gz IACUUNILOJAUMK-SGMGOOAPSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000629547064 361430786 /nfs/dbraw/zinc/43/07/86/361430786.db2.gz FTZRJLRYHXAWFA-MWODSPESSA-N 2 2 240.297 2.366 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548977 361434154 /nfs/dbraw/zinc/43/41/54/361434154.db2.gz STBBTRWJKCTDJT-GDLCADMTSA-N 2 2 246.354 2.023 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629553221 361437661 /nfs/dbraw/zinc/43/76/61/361437661.db2.gz PJDAQTPSNJZBSU-WDMOLILDSA-N 2 2 216.328 2.186 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629549466 361441289 /nfs/dbraw/zinc/44/12/89/361441289.db2.gz WELHINHITINQJR-HBNTYKKESA-N 2 2 224.373 2.458 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccoc1 ZINC000629542155 361417867 /nfs/dbraw/zinc/41/78/67/361417867.db2.gz ZKWVURJFYVDGDA-JFGNBEQYSA-N 2 2 208.305 2.071 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@]13C[C@H]1CCCC3)CCC2 ZINC000631224718 361565878 /nfs/dbraw/zinc/56/58/78/361565878.db2.gz CVIALLLLPCXBMI-BXUZGUMPSA-N 2 2 231.343 2.252 20 0 BEADLP C/C=C\C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000629674222 361598013 /nfs/dbraw/zinc/59/80/13/361598013.db2.gz YVUQFZDFZQHTEP-QMAVJUDZSA-N 2 2 210.365 2.402 20 0 BEADLP C/C=C\C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000629674222 361598018 /nfs/dbraw/zinc/59/80/18/361598018.db2.gz YVUQFZDFZQHTEP-QMAVJUDZSA-N 2 2 210.365 2.402 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786394 201288120 /nfs/dbraw/zinc/28/81/20/201288120.db2.gz HXNHMPFYZBTMAT-MIGQKNRLSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435786394 201288123 /nfs/dbraw/zinc/28/81/23/201288123.db2.gz HXNHMPFYZBTMAT-MIGQKNRLSA-N 2 2 244.382 2.472 20 0 BEADLP C[NH2+]CCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000435869434 201289317 /nfs/dbraw/zinc/28/93/17/201289317.db2.gz JRSPMPBVKSCEIZ-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP C[NH2+]CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000435869434 201289320 /nfs/dbraw/zinc/28/93/20/201289320.db2.gz JRSPMPBVKSCEIZ-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CC[C@H]3CCOC3)CC2)[nH]1 ZINC000437683701 201366571 /nfs/dbraw/zinc/36/65/71/201366571.db2.gz BBCHSQVKTADDCA-LBPRGKRZSA-N 2 2 249.358 2.016 20 0 BEADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000235707863 541325564 /nfs/dbraw/zinc/32/55/64/541325564.db2.gz OCXBLKBDUNFPIN-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000235707863 541325566 /nfs/dbraw/zinc/32/55/66/541325566.db2.gz OCXBLKBDUNFPIN-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(O)c1 ZINC000398949083 364202048 /nfs/dbraw/zinc/20/20/48/364202048.db2.gz AXLSTEHHTGUMSG-WZRBSPASSA-N 2 2 234.343 2.183 20 0 BEADLP CC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1[nH]cc[nH+]1 ZINC000139835225 541345192 /nfs/dbraw/zinc/34/51/92/541345192.db2.gz LKMHGEJULJIJPE-SNVBAGLBSA-N 2 2 231.303 2.380 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000398967898 364377366 /nfs/dbraw/zinc/37/73/66/364377366.db2.gz SNFRJFZMPVVKPN-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000573386528 364822062 /nfs/dbraw/zinc/82/20/62/364822062.db2.gz DVQLUUJHWTZIPX-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCCC12CC2)C1CC1 ZINC000573386528 364822068 /nfs/dbraw/zinc/82/20/68/364822068.db2.gz DVQLUUJHWTZIPX-ZDUSSCGKSA-N 2 2 222.376 2.393 20 0 BEADLP CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000343927879 541449454 /nfs/dbraw/zinc/44/94/54/541449454.db2.gz JZUWCNNLOZGPRF-RYUDHWBXSA-N 2 2 238.379 2.181 20 0 BEADLP CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000343927879 541449456 /nfs/dbraw/zinc/44/94/56/541449456.db2.gz JZUWCNNLOZGPRF-RYUDHWBXSA-N 2 2 238.379 2.181 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000379777500 365207200 /nfs/dbraw/zinc/20/72/00/365207200.db2.gz AQSSUTLVWGMEDC-YNEHKIRRSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000379777500 365207204 /nfs/dbraw/zinc/20/72/04/365207204.db2.gz AQSSUTLVWGMEDC-YNEHKIRRSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000182275359 366880956 /nfs/dbraw/zinc/88/09/56/366880956.db2.gz SLPPZRPODRXUSG-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC1=C(C)C[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000575932519 365420830 /nfs/dbraw/zinc/42/08/30/365420830.db2.gz MNZAQMBYOSHTAS-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP CC1=C(C)C[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000575932519 365420831 /nfs/dbraw/zinc/42/08/31/365420831.db2.gz MNZAQMBYOSHTAS-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC=CCC2)n1C ZINC000576004282 365445118 /nfs/dbraw/zinc/44/51/18/365445118.db2.gz RVJGVXKFIMDRQR-LBPRGKRZSA-N 2 2 219.332 2.174 20 0 BEADLP CC1(C)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182781347 366940838 /nfs/dbraw/zinc/94/08/38/366940838.db2.gz DARPMSGZMQNIPC-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC1(C)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182781347 366940843 /nfs/dbraw/zinc/94/08/43/366940843.db2.gz DARPMSGZMQNIPC-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182795016 366942456 /nfs/dbraw/zinc/94/24/56/366942456.db2.gz UTUPKJXRGBYQJR-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182795016 366942461 /nfs/dbraw/zinc/94/24/61/366942461.db2.gz UTUPKJXRGBYQJR-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1C[C@@H](C)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000182622093 366922933 /nfs/dbraw/zinc/92/29/33/366922933.db2.gz FNRWOTTUJNRBOV-CHWSQXEVSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1C[C@H](C)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000182622073 366923265 /nfs/dbraw/zinc/92/32/65/366923265.db2.gz FNRWOTTUJNRBOV-STQMWFEESA-N 2 2 221.348 2.251 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C2 ZINC000353605884 541483760 /nfs/dbraw/zinc/48/37/60/541483760.db2.gz CJUPWIAIZQFART-UTUOFQBUSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)CC2 ZINC000353605884 541483764 /nfs/dbraw/zinc/48/37/64/541483764.db2.gz CJUPWIAIZQFART-UTUOFQBUSA-N 2 2 231.343 2.045 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353634030 541484688 /nfs/dbraw/zinc/48/46/88/541484688.db2.gz YZUKCLZSTACWQJ-WOPDTQHZSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353634030 541484691 /nfs/dbraw/zinc/48/46/91/541484691.db2.gz YZUKCLZSTACWQJ-WOPDTQHZSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353634027 541484703 /nfs/dbraw/zinc/48/47/03/541484703.db2.gz YZUKCLZSTACWQJ-GRYCIOLGSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353634027 541484707 /nfs/dbraw/zinc/48/47/07/541484707.db2.gz YZUKCLZSTACWQJ-GRYCIOLGSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353634029 541484775 /nfs/dbraw/zinc/48/47/75/541484775.db2.gz YZUKCLZSTACWQJ-SRVKXCTJSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353634029 541484777 /nfs/dbraw/zinc/48/47/77/541484777.db2.gz YZUKCLZSTACWQJ-SRVKXCTJSA-N 2 2 233.359 2.291 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000579822674 367024265 /nfs/dbraw/zinc/02/42/65/367024265.db2.gz GSVWPNLBGPRPTA-NWDGAFQWSA-N 2 2 236.359 2.392 20 0 BEADLP Cc1c[nH+]c(C)nc1NC1CCC([NH+](C)C)CC1 ZINC000579978907 367113875 /nfs/dbraw/zinc/11/38/75/367113875.db2.gz JBJMLOQILDTGIK-UHFFFAOYSA-N 2 2 248.374 2.378 20 0 BEADLP CCc1nocc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000580728666 367153340 /nfs/dbraw/zinc/15/33/40/367153340.db2.gz ADTSCKDRDBLPEV-UHFFFAOYSA-N 2 2 248.330 2.004 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)C(C)C)n1C ZINC000581381022 367411975 /nfs/dbraw/zinc/41/19/75/367411975.db2.gz NGOPKXDLWRYMDF-JTQLQIEISA-N 2 2 209.337 2.110 20 0 BEADLP CC(C)C(C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000381276131 367373344 /nfs/dbraw/zinc/37/33/44/367373344.db2.gz XACCLQZFDJKMPB-GXTWGEPZSA-N 2 2 226.408 2.454 20 0 BEADLP CC(C)C(C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000381276131 367373348 /nfs/dbraw/zinc/37/33/48/367373348.db2.gz XACCLQZFDJKMPB-GXTWGEPZSA-N 2 2 226.408 2.454 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000381727366 367452107 /nfs/dbraw/zinc/45/21/07/367452107.db2.gz MWRMXSGJFSKGJN-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000381727366 367452113 /nfs/dbraw/zinc/45/21/13/367452113.db2.gz MWRMXSGJFSKGJN-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccncc1 ZINC000383959900 367663546 /nfs/dbraw/zinc/66/35/46/367663546.db2.gz OOPVPIPTIJXFPQ-TZMCWYRMSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000383959900 367663550 /nfs/dbraw/zinc/66/35/50/367663550.db2.gz OOPVPIPTIJXFPQ-TZMCWYRMSA-N 2 2 235.375 2.448 20 0 BEADLP Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000385049238 367778417 /nfs/dbraw/zinc/77/84/17/367778417.db2.gz QHAPBGNUPCAXAM-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000385049238 367778420 /nfs/dbraw/zinc/77/84/20/367778420.db2.gz QHAPBGNUPCAXAM-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP FC1(F)CCC[C@H](C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385365953 367822295 /nfs/dbraw/zinc/82/22/95/367822295.db2.gz JLAXQCHQEQYAKO-TUAOUCFPSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CCC[C@H](C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000385365953 367822300 /nfs/dbraw/zinc/82/23/00/367822300.db2.gz JLAXQCHQEQYAKO-TUAOUCFPSA-N 2 2 244.329 2.106 20 0 BEADLP CCOc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385352230 367822412 /nfs/dbraw/zinc/82/24/12/367822412.db2.gz UTIMZQFUYHVKCJ-UHFFFAOYSA-N 2 2 248.370 2.399 20 0 BEADLP CCOc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000385352230 367822417 /nfs/dbraw/zinc/82/24/17/367822417.db2.gz UTIMZQFUYHVKCJ-UHFFFAOYSA-N 2 2 248.370 2.399 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000385388045 367824962 /nfs/dbraw/zinc/82/49/62/367824962.db2.gz RKXXXQXCAUZTBC-ZBFHGGJFSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000385388045 367824967 /nfs/dbraw/zinc/82/49/67/367824967.db2.gz RKXXXQXCAUZTBC-ZBFHGGJFSA-N 2 2 244.382 2.406 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000386051258 367904576 /nfs/dbraw/zinc/90/45/76/367904576.db2.gz VMJUQSFSIOPWEF-RISCZKNCSA-N 2 2 236.334 2.446 20 0 BEADLP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386535270 367987311 /nfs/dbraw/zinc/98/73/11/367987311.db2.gz BPLXFEDKKGSMJZ-WFASDCNBSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386555472 367990947 /nfs/dbraw/zinc/99/09/47/367990947.db2.gz HXWRAUCONWZYRQ-RKDXNWHRSA-N 2 2 224.270 2.059 20 0 BEADLP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000386575464 367994435 /nfs/dbraw/zinc/99/44/35/367994435.db2.gz NBDPTRQLSMOOAX-SKDRFNHKSA-N 2 2 239.388 2.072 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000386624350 368003095 /nfs/dbraw/zinc/00/30/95/368003095.db2.gz YPWDMWMYXVJXGN-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566893693 326091192 /nfs/dbraw/zinc/09/11/92/326091192.db2.gz OPQGCCAKHGTZBE-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566893693 326091195 /nfs/dbraw/zinc/09/11/95/326091195.db2.gz OPQGCCAKHGTZBE-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566893693 326091198 /nfs/dbraw/zinc/09/11/98/326091198.db2.gz OPQGCCAKHGTZBE-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566893693 326091200 /nfs/dbraw/zinc/09/12/00/326091200.db2.gz OPQGCCAKHGTZBE-RWMBFGLXSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000084946395 368860841 /nfs/dbraw/zinc/86/08/41/368860841.db2.gz WOUPTQAMVMHLMM-NOZJJQNGSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000084946395 368860847 /nfs/dbraw/zinc/86/08/47/368860847.db2.gz WOUPTQAMVMHLMM-NOZJJQNGSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000164466590 203118438 /nfs/dbraw/zinc/11/84/38/203118438.db2.gz ZTXCKJDRDJXPPM-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459412228 203275870 /nfs/dbraw/zinc/27/58/70/203275870.db2.gz RFBZBCPCLDVBIF-DGCLKSJQSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459412228 203275872 /nfs/dbraw/zinc/27/58/72/203275872.db2.gz RFBZBCPCLDVBIF-DGCLKSJQSA-N 2 2 221.348 2.083 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000459458418 203285643 /nfs/dbraw/zinc/28/56/43/203285643.db2.gz HTBPDWXCABZTJN-UHFFFAOYSA-N 2 2 208.349 2.005 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CCC[N@@H+]1C ZINC000459486661 203289453 /nfs/dbraw/zinc/28/94/53/203289453.db2.gz RPGQJXHIGSNONG-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CCC[N@H+]1C ZINC000459486661 203289455 /nfs/dbraw/zinc/28/94/55/203289455.db2.gz RPGQJXHIGSNONG-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000459440115 203282120 /nfs/dbraw/zinc/28/21/20/203282120.db2.gz JNHKCNKZXNGLIV-LBPRGKRZSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000459440115 203282124 /nfs/dbraw/zinc/28/21/24/203282124.db2.gz JNHKCNKZXNGLIV-LBPRGKRZSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000459651975 203331042 /nfs/dbraw/zinc/33/10/42/203331042.db2.gz BFBJXJNRTMALDN-KGLIPLIRSA-N 2 2 233.359 2.131 20 0 BEADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(F)c1 ZINC000631035085 370984779 /nfs/dbraw/zinc/98/47/79/370984779.db2.gz ZHCKXCAJZXDPJT-UHFFFAOYSA-N 2 2 233.290 2.120 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCc1ccsc1 ZINC000631862493 369548432 /nfs/dbraw/zinc/54/84/32/369548432.db2.gz QBQDWNPEXLYJPA-CMPLNLGQSA-N 2 2 224.373 2.102 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCc1ccsc1 ZINC000631862493 369548438 /nfs/dbraw/zinc/54/84/38/369548438.db2.gz QBQDWNPEXLYJPA-CMPLNLGQSA-N 2 2 224.373 2.102 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccn1 ZINC000621773964 370518443 /nfs/dbraw/zinc/51/84/43/370518443.db2.gz HDOABOUUNYZBDA-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccn1 ZINC000621773964 370518446 /nfs/dbraw/zinc/51/84/46/370518446.db2.gz HDOABOUUNYZBDA-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000621739800 370497419 /nfs/dbraw/zinc/49/74/19/370497419.db2.gz YLLJKMWTMHGBIU-BOLFBJMRSA-N 2 2 222.376 2.105 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000621739800 370497424 /nfs/dbraw/zinc/49/74/24/370497424.db2.gz YLLJKMWTMHGBIU-BOLFBJMRSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(C)n1 ZINC000621784105 370536541 /nfs/dbraw/zinc/53/65/41/370536541.db2.gz JWSYSMHQDURSNT-LSDHHAIUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(C)n1 ZINC000621784105 370536542 /nfs/dbraw/zinc/53/65/42/370536542.db2.gz JWSYSMHQDURSNT-LSDHHAIUSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCC(C)C)n1C ZINC000568649991 326371076 /nfs/dbraw/zinc/37/10/76/326371076.db2.gz XFHJUBVWTXSCFE-UHFFFAOYSA-N 2 2 209.337 2.254 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CCCCO1 ZINC000623858128 371128875 /nfs/dbraw/zinc/12/88/75/371128875.db2.gz CWIVJURJIHXACP-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101259 371306560 /nfs/dbraw/zinc/30/65/60/371306560.db2.gz VAASVWKEKPBWRM-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101259 371306566 /nfs/dbraw/zinc/30/65/66/371306566.db2.gz VAASVWKEKPBWRM-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101024 371306882 /nfs/dbraw/zinc/30/68/82/371306882.db2.gz FSEAPMJZVPWKTA-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101024 371306886 /nfs/dbraw/zinc/30/68/86/371306886.db2.gz FSEAPMJZVPWKTA-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000624271725 371450008 /nfs/dbraw/zinc/45/00/08/371450008.db2.gz AVVMUYKHQGXXDT-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000624271725 371450013 /nfs/dbraw/zinc/45/00/13/371450013.db2.gz AVVMUYKHQGXXDT-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000631206393 372235435 /nfs/dbraw/zinc/23/54/35/372235435.db2.gz MSIDGEVBQXYFKG-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000631206393 372235443 /nfs/dbraw/zinc/23/54/43/372235443.db2.gz MSIDGEVBQXYFKG-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000631206394 372235464 /nfs/dbraw/zinc/23/54/64/372235464.db2.gz MSIDGEVBQXYFKG-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CCC(C)(C)CC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000631206394 372235468 /nfs/dbraw/zinc/23/54/68/372235468.db2.gz MSIDGEVBQXYFKG-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc(C)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c(C)[nH+]1 ZINC000631824015 372601607 /nfs/dbraw/zinc/60/16/07/372601607.db2.gz TXGSSCMHFVCKSJ-BETUJISGSA-N 2 2 247.386 2.189 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c(C)c1 ZINC000631863372 372666541 /nfs/dbraw/zinc/66/65/41/372666541.db2.gz ZQCDIEMGBPORTE-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c(C)c1 ZINC000631863372 372666546 /nfs/dbraw/zinc/66/65/46/372666546.db2.gz ZQCDIEMGBPORTE-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccccc1C(F)(F)F ZINC000039318908 372940017 /nfs/dbraw/zinc/94/00/17/372940017.db2.gz OGHCTMAOFZKMTF-UHFFFAOYSA-N 2 2 232.249 2.096 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccccc1C(F)(F)F ZINC000039318908 372940020 /nfs/dbraw/zinc/94/00/20/372940020.db2.gz OGHCTMAOFZKMTF-UHFFFAOYSA-N 2 2 232.249 2.096 20 0 BEADLP C[C@H]([NH3+])c1ccc(-c2[nH+]ccn2C)cc1 ZINC000069631264 373556696 /nfs/dbraw/zinc/55/66/96/373556696.db2.gz JFGKZAAVQDVYCL-VIFPVBQESA-N 2 2 201.273 2.107 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424379207 206038856 /nfs/dbraw/zinc/03/88/56/206038856.db2.gz VADVROXXTJSSGI-JMJZKYOTSA-N 2 2 239.388 2.372 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000459541380 206132847 /nfs/dbraw/zinc/13/28/47/206132847.db2.gz WGKSHRPRSKNNMH-UHFFFAOYSA-N 2 2 247.386 2.475 20 0 BEADLP CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177081281 169081804 /nfs/dbraw/zinc/08/18/04/169081804.db2.gz VDRGJTZOLCIKFT-UHFFFAOYSA-N 2 2 230.315 2.109 20 0 BEADLP CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177081281 169081807 /nfs/dbraw/zinc/08/18/07/169081807.db2.gz VDRGJTZOLCIKFT-UHFFFAOYSA-N 2 2 230.315 2.109 20 0 BEADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000290798789 169125116 /nfs/dbraw/zinc/12/51/16/169125116.db2.gz OULIRIYFAWJAEV-LLVKDONJSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000290798789 169125118 /nfs/dbraw/zinc/12/51/18/169125118.db2.gz OULIRIYFAWJAEV-LLVKDONJSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@H+](CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000070902203 169139393 /nfs/dbraw/zinc/13/93/93/169139393.db2.gz ROXBKYGENSDEFU-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+](CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000070902203 169139394 /nfs/dbraw/zinc/13/93/94/169139394.db2.gz ROXBKYGENSDEFU-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000071314655 169174855 /nfs/dbraw/zinc/17/48/55/169174855.db2.gz PHCZNTDWBGTLOR-CQSZACIVSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@@H+](Cc1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000071314655 169174858 /nfs/dbraw/zinc/17/48/58/169174858.db2.gz PHCZNTDWBGTLOR-CQSZACIVSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032011644 169157682 /nfs/dbraw/zinc/15/76/82/169157682.db2.gz LCPHUGWKKMBLRS-UHFFFAOYSA-N 2 2 206.333 2.166 20 0 BEADLP CCC[N@@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032011644 169157683 /nfs/dbraw/zinc/15/76/83/169157683.db2.gz LCPHUGWKKMBLRS-UHFFFAOYSA-N 2 2 206.333 2.166 20 0 BEADLP CCC[N@H+](CCO)CCCc1c[nH+]ccc1C ZINC000289110358 169165652 /nfs/dbraw/zinc/16/56/52/169165652.db2.gz MXEWKOYYZYNWIO-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CCC[N@@H+](CCO)CCCc1c[nH+]ccc1C ZINC000289110358 169165654 /nfs/dbraw/zinc/16/56/54/169165654.db2.gz MXEWKOYYZYNWIO-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CCC[NH+]1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000071339169 169188941 /nfs/dbraw/zinc/18/89/41/169188941.db2.gz NOQZKWUPPBNDEU-UHFFFAOYSA-N 2 2 247.386 2.354 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCC3CC3)C2)[nH]1 ZINC000336665913 183326523 /nfs/dbraw/zinc/32/65/23/183326523.db2.gz JPTOFUGWAFXSQG-GFCCVEGCSA-N 2 2 219.332 2.389 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCC3CC3)C2)[nH]1 ZINC000336665913 183326525 /nfs/dbraw/zinc/32/65/25/183326525.db2.gz JPTOFUGWAFXSQG-GFCCVEGCSA-N 2 2 219.332 2.389 20 0 BEADLP CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365626588 169195657 /nfs/dbraw/zinc/19/56/57/169195657.db2.gz JBIFHNDWLCEPGO-LLVKDONJSA-N 2 2 207.321 2.010 20 0 BEADLP CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365626588 169195659 /nfs/dbraw/zinc/19/56/59/169195659.db2.gz JBIFHNDWLCEPGO-LLVKDONJSA-N 2 2 207.321 2.010 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298397 169196583 /nfs/dbraw/zinc/19/65/83/169196583.db2.gz PWAVCRMRRQIXIJ-CYBMUJFWSA-N 2 2 247.342 2.203 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298397 169196585 /nfs/dbraw/zinc/19/65/85/169196585.db2.gz PWAVCRMRRQIXIJ-CYBMUJFWSA-N 2 2 247.342 2.203 20 0 BEADLP c1cc(C2CC2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000094522036 183334015 /nfs/dbraw/zinc/33/40/15/183334015.db2.gz XKSWLFHDVYYGHY-UHFFFAOYSA-N 2 2 230.355 2.359 20 0 BEADLP c1cc(C2CC2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000094522036 183334018 /nfs/dbraw/zinc/33/40/18/183334018.db2.gz XKSWLFHDVYYGHY-UHFFFAOYSA-N 2 2 230.355 2.359 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000161352443 169259121 /nfs/dbraw/zinc/25/91/21/169259121.db2.gz UUHBIYMBDMMXAO-UHFFFAOYSA-N 2 2 228.286 2.054 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336682055 169360819 /nfs/dbraw/zinc/36/08/19/169360819.db2.gz DFCXYMRZAQLSEX-NEPJUHHUSA-N 2 2 221.348 2.224 20 0 BEADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CC[NH+](C)C ZINC000336645996 169372293 /nfs/dbraw/zinc/37/22/93/169372293.db2.gz CHGCWWMEXVAWFT-VXGBXAGGSA-N 2 2 200.370 2.352 20 0 BEADLP Cc1noc(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221790014 134326333 /nfs/dbraw/zinc/32/63/33/134326333.db2.gz AHLQOEFEYVDYET-UHFFFAOYSA-N 2 2 239.363 2.111 20 0 BEADLP Cc1noc(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221790014 134326334 /nfs/dbraw/zinc/32/63/34/134326334.db2.gz AHLQOEFEYVDYET-UHFFFAOYSA-N 2 2 239.363 2.111 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000224426415 134347327 /nfs/dbraw/zinc/34/73/27/134347327.db2.gz WFNSLYFXEXTZHZ-XQQFMLRXSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1CC1(C)C)C1CC1 ZINC000309440455 169845457 /nfs/dbraw/zinc/84/54/57/169845457.db2.gz IIPKEQJIWCCEPD-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1CC1(C)C)C1CC1 ZINC000309440455 169845458 /nfs/dbraw/zinc/84/54/58/169845458.db2.gz IIPKEQJIWCCEPD-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119886302 383912279 /nfs/dbraw/zinc/91/22/79/383912279.db2.gz QZTVPZHPABLANL-MJBXVCDLSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119886302 383912286 /nfs/dbraw/zinc/91/22/86/383912286.db2.gz QZTVPZHPABLANL-MJBXVCDLSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCC1 ZINC000131923987 383894109 /nfs/dbraw/zinc/89/41/09/383894109.db2.gz OMNCDWDCKCUOGH-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000037649095 383990322 /nfs/dbraw/zinc/99/03/22/383990322.db2.gz QIYNEAXCBTWPQI-RYUDHWBXSA-N 2 2 234.343 2.415 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649095 383990326 /nfs/dbraw/zinc/99/03/26/383990326.db2.gz QIYNEAXCBTWPQI-RYUDHWBXSA-N 2 2 234.343 2.415 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCSC1 ZINC000290302813 383966939 /nfs/dbraw/zinc/96/69/39/383966939.db2.gz ICDSEWVRXCLMIS-CYBMUJFWSA-N 2 2 236.384 2.418 20 0 BEADLP Cc1cccc(N2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000114184467 384026742 /nfs/dbraw/zinc/02/67/42/384026742.db2.gz GJVPZIUHLJEIRB-UHFFFAOYSA-N 2 2 245.370 2.455 20 0 BEADLP FCC1([NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000647254918 384006763 /nfs/dbraw/zinc/00/67/63/384006763.db2.gz ONHIESWIYFOHPY-UHFFFAOYSA-N 2 2 233.290 2.316 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000643545211 384011901 /nfs/dbraw/zinc/01/19/01/384011901.db2.gz NOEKRTSYFXDWBV-ONGXEEELSA-N 2 2 239.388 2.244 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)n1 ZINC000643545243 384012584 /nfs/dbraw/zinc/01/25/84/384012584.db2.gz QYCZXIAZSGXQMV-ZIAGYGMSSA-N 2 2 247.386 2.491 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)no1 ZINC000643547801 384036832 /nfs/dbraw/zinc/03/68/32/384036832.db2.gz JEBZKTRQHSVAHY-RYUDHWBXSA-N 2 2 249.358 2.308 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000163178981 384065932 /nfs/dbraw/zinc/06/59/32/384065932.db2.gz HOAMFVHGEWLZHW-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000163178981 384065935 /nfs/dbraw/zinc/06/59/35/384065935.db2.gz HOAMFVHGEWLZHW-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884870 384100316 /nfs/dbraw/zinc/10/03/16/384100316.db2.gz AGKAEZZMUCJZLN-BARDWOONSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884870 384100320 /nfs/dbraw/zinc/10/03/20/384100320.db2.gz AGKAEZZMUCJZLN-BARDWOONSA-N 2 2 236.403 2.497 20 0 BEADLP COC[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449383333 384112005 /nfs/dbraw/zinc/11/20/05/384112005.db2.gz GOECIBGEJPQFGJ-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nccs1 ZINC000070733338 384133449 /nfs/dbraw/zinc/13/34/49/384133449.db2.gz OQJJCPOJIUWJLM-JTQLQIEISA-N 2 2 236.344 2.081 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nccs1 ZINC000070733133 384135188 /nfs/dbraw/zinc/13/51/88/384135188.db2.gz FKZKRGINRFISQP-LLVKDONJSA-N 2 2 239.388 2.280 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](F)C1 ZINC000449392090 384157578 /nfs/dbraw/zinc/15/75/78/384157578.db2.gz IVBXBNMRMROMTF-ZDUSSCGKSA-N 2 2 222.307 2.366 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](F)C1 ZINC000449392090 384157580 /nfs/dbraw/zinc/15/75/80/384157580.db2.gz IVBXBNMRMROMTF-ZDUSSCGKSA-N 2 2 222.307 2.366 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000092196265 384166775 /nfs/dbraw/zinc/16/67/75/384166775.db2.gz BXFCRLBPCUTUDN-QWRGUYRKSA-N 2 2 239.338 2.212 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000092196268 384167056 /nfs/dbraw/zinc/16/70/56/384167056.db2.gz BXFCRLBPCUTUDN-GHMZBOCLSA-N 2 2 239.338 2.212 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000092195594 384167262 /nfs/dbraw/zinc/16/72/62/384167262.db2.gz XVIUHOHETWMUMR-LLVKDONJSA-N 2 2 248.305 2.158 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC1CC1 ZINC000132385177 384185782 /nfs/dbraw/zinc/18/57/82/384185782.db2.gz QMTNPYHILPDMPL-WDEREUQCSA-N 2 2 207.321 2.050 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]Cc2cccc(Cl)c2)c1 ZINC000313266612 384181631 /nfs/dbraw/zinc/18/16/31/384181631.db2.gz RKILWMSHOXQWCD-UHFFFAOYSA-N 2 2 249.745 2.406 20 0 BEADLP Cc1ccc(C)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000042209333 384205973 /nfs/dbraw/zinc/20/59/73/384205973.db2.gz WVBHAMVXNCUGPB-UHFFFAOYSA-N 2 2 229.327 2.290 20 0 BEADLP c1coc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648823 384187335 /nfs/dbraw/zinc/18/73/35/384187335.db2.gz JEGLMKPANYCYMP-UHFFFAOYSA-N 2 2 231.299 2.313 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313295568 384237730 /nfs/dbraw/zinc/23/77/30/384237730.db2.gz KKAUCXNDHAWZTO-BZPMIXESSA-N 2 2 235.375 2.377 20 0 BEADLP COc1ccc[nH+]c1NC1CC[NH+](C2CC2)CC1 ZINC000560604213 384248670 /nfs/dbraw/zinc/24/86/70/384248670.db2.gz BVTYBZJZXOAETE-UHFFFAOYSA-N 2 2 247.342 2.129 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000083054802 384279159 /nfs/dbraw/zinc/27/91/59/384279159.db2.gz RXDZPSFPRLHMCO-LBPRGKRZSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1nccs1 ZINC000083143166 384284334 /nfs/dbraw/zinc/28/43/34/384284334.db2.gz CVQUGPMGCSNYSV-VHSXEESVSA-N 2 2 227.377 2.134 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[NH+](C)C ZINC000308833365 384337675 /nfs/dbraw/zinc/33/76/75/384337675.db2.gz HBGXKZILCMNMTF-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cn1 ZINC000228858513 384344847 /nfs/dbraw/zinc/34/48/47/384344847.db2.gz NTCFQVBYDDXMOJ-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cn1 ZINC000228858513 384344851 /nfs/dbraw/zinc/34/48/51/384344851.db2.gz NTCFQVBYDDXMOJ-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000061361879 384413468 /nfs/dbraw/zinc/41/34/68/384413468.db2.gz DDPHCNZXQVNHPU-KOLCDFICSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000335643237 384419677 /nfs/dbraw/zinc/41/96/77/384419677.db2.gz NIYJPAYILDXWMX-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335603720 384375494 /nfs/dbraw/zinc/37/54/94/384375494.db2.gz IUIYVEDJVXLLSS-GWCFXTLKSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000335603720 384375501 /nfs/dbraw/zinc/37/55/01/384375501.db2.gz IUIYVEDJVXLLSS-GWCFXTLKSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000335603722 384375872 /nfs/dbraw/zinc/37/58/72/384375872.db2.gz IUIYVEDJVXLLSS-MFKMUULPSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000335603722 384375876 /nfs/dbraw/zinc/37/58/76/384375876.db2.gz IUIYVEDJVXLLSS-MFKMUULPSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000335606482 384381731 /nfs/dbraw/zinc/38/17/31/384381731.db2.gz ORYKGDDCNBOJDS-BXKDBHETSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1cscc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000335606482 384381733 /nfs/dbraw/zinc/38/17/33/384381733.db2.gz ORYKGDDCNBOJDS-BXKDBHETSA-N 2 2 224.373 2.096 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000356839624 384502410 /nfs/dbraw/zinc/50/24/10/384502410.db2.gz FCXSKPCUOYFKEN-LBPRGKRZSA-N 2 2 244.342 2.191 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(F)c(Cl)c1 ZINC000037712614 384513327 /nfs/dbraw/zinc/51/33/27/384513327.db2.gz OTJLFCUOCXNZIC-SSDOTTSWSA-N 2 2 216.687 2.088 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000647178315 384517199 /nfs/dbraw/zinc/51/71/99/384517199.db2.gz MKMNDKRFIRNACZ-UHFFFAOYSA-N 2 2 234.334 2.494 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000647178315 384517202 /nfs/dbraw/zinc/51/72/02/384517202.db2.gz MKMNDKRFIRNACZ-UHFFFAOYSA-N 2 2 234.334 2.494 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC[C@H]1C1CC1)[NH+](C)C ZINC000449554140 384525655 /nfs/dbraw/zinc/52/56/55/384525655.db2.gz ASONWXPUFZIHRQ-UBHSHLNASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[NH+](C)C ZINC000449557425 384526091 /nfs/dbraw/zinc/52/60/91/384526091.db2.gz RCRBOPIFACWVOL-UHTWSYAYSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000123019571 384527472 /nfs/dbraw/zinc/52/74/72/384527472.db2.gz WISKUJRCJLNXNB-DYEKYZERSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000123019571 384527476 /nfs/dbraw/zinc/52/74/76/384527476.db2.gz WISKUJRCJLNXNB-DYEKYZERSA-N 2 2 245.370 2.357 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)[C@@H](C)C1 ZINC000449558379 384532581 /nfs/dbraw/zinc/53/25/81/384532581.db2.gz XHELHFQEAFUAFX-XUXIUFHCSA-N 2 2 224.392 2.208 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)[C@@H](C)C1 ZINC000449558379 384532585 /nfs/dbraw/zinc/53/25/85/384532585.db2.gz XHELHFQEAFUAFX-XUXIUFHCSA-N 2 2 224.392 2.208 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CCCn1cc[nH+]c1 ZINC000151140715 384542232 /nfs/dbraw/zinc/54/22/32/384542232.db2.gz KIZXCCXDRKMHSG-ZDUSSCGKSA-N 2 2 239.363 2.068 20 0 BEADLP CCCC[C@H](COC)[NH2+]CCCn1cc[nH+]c1 ZINC000151140764 384542474 /nfs/dbraw/zinc/54/24/74/384542474.db2.gz KIZXCCXDRKMHSG-CYBMUJFWSA-N 2 2 239.363 2.068 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065408 384575795 /nfs/dbraw/zinc/57/57/95/384575795.db2.gz BAZLODBENHYSGT-CVEARBPZSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643065408 384575802 /nfs/dbraw/zinc/57/58/02/384575802.db2.gz BAZLODBENHYSGT-CVEARBPZSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc([N@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000050004344 384581459 /nfs/dbraw/zinc/58/14/59/384581459.db2.gz KWUJDBGSSSWMRC-UHFFFAOYSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1ccc([N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000050004344 384581463 /nfs/dbraw/zinc/58/14/63/384581463.db2.gz KWUJDBGSSSWMRC-UHFFFAOYSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068877 384583046 /nfs/dbraw/zinc/58/30/46/384583046.db2.gz MNBNGNJJMFDXNZ-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068877 384583055 /nfs/dbraw/zinc/58/30/55/384583055.db2.gz MNBNGNJJMFDXNZ-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068795 384583102 /nfs/dbraw/zinc/58/31/02/384583102.db2.gz LJQBSDMLUVZGNJ-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068795 384583110 /nfs/dbraw/zinc/58/31/10/384583110.db2.gz LJQBSDMLUVZGNJ-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643071180 384591103 /nfs/dbraw/zinc/59/11/03/384591103.db2.gz ZLKLTKVNLNWZEZ-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643071180 384591113 /nfs/dbraw/zinc/59/11/13/384591113.db2.gz ZLKLTKVNLNWZEZ-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP CC(C)=CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309782380 384603976 /nfs/dbraw/zinc/60/39/76/384603976.db2.gz NFOWLWCHBYWBBP-GXTWGEPZSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)=CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309782380 384603981 /nfs/dbraw/zinc/60/39/81/384603981.db2.gz NFOWLWCHBYWBBP-GXTWGEPZSA-N 2 2 222.376 2.415 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000334875591 384616770 /nfs/dbraw/zinc/61/67/70/384616770.db2.gz VQRKCHHMIQAPRC-NSHDSACASA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccnc1 ZINC000020506278 384620264 /nfs/dbraw/zinc/62/02/64/384620264.db2.gz CTNGIGHEMRYTBJ-GFCCVEGCSA-N 2 2 230.315 2.019 20 0 BEADLP CCc1cnc(C[NH+]2CCC(C)([NH3+])CC2)s1 ZINC000647530731 384621829 /nfs/dbraw/zinc/62/18/29/384621829.db2.gz CCPFWEHWUNYMSZ-UHFFFAOYSA-N 2 2 239.388 2.019 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nccs1 ZINC000248081829 384626163 /nfs/dbraw/zinc/62/61/63/384626163.db2.gz QFBAZHKNXKPXAC-IVZWLZJFSA-N 2 2 225.361 2.064 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC000124281513 384630400 /nfs/dbraw/zinc/63/04/00/384630400.db2.gz LYGYCCFQKZEXQG-UHFFFAOYSA-N 2 2 243.354 2.448 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC000124281513 384630405 /nfs/dbraw/zinc/63/04/05/384630405.db2.gz LYGYCCFQKZEXQG-UHFFFAOYSA-N 2 2 243.354 2.448 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000647532815 384638581 /nfs/dbraw/zinc/63/85/81/384638581.db2.gz DWDDWQCHYNKQNB-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c(C)c1 ZINC000647532815 384638588 /nfs/dbraw/zinc/63/85/88/384638588.db2.gz DWDDWQCHYNKQNB-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000647533572 384642477 /nfs/dbraw/zinc/64/24/77/384642477.db2.gz UVROYELCOVSQMM-AAEUAGOBSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)s1 ZINC000647533572 384642484 /nfs/dbraw/zinc/64/24/84/384642484.db2.gz UVROYELCOVSQMM-AAEUAGOBSA-N 2 2 236.384 2.240 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647188884 384648652 /nfs/dbraw/zinc/64/86/52/384648652.db2.gz QEARKMQGUFZZEU-LLVKDONJSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647188884 384648656 /nfs/dbraw/zinc/64/86/56/384648656.db2.gz QEARKMQGUFZZEU-LLVKDONJSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3cnccc32)C[C@H]1[NH3+] ZINC000647539200 384675610 /nfs/dbraw/zinc/67/56/10/384675610.db2.gz FFNMIEPEUZRRHB-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3cnccc32)C[C@H]1[NH3+] ZINC000647539200 384675616 /nfs/dbraw/zinc/67/56/16/384675616.db2.gz FFNMIEPEUZRRHB-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP Cc1c[nH+]c(CNc2cc(C)cc[nH+]2)n1C ZINC000309840042 384659997 /nfs/dbraw/zinc/65/99/97/384659997.db2.gz CSVVAWHRJSNNGH-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC(C)(C)C2)CCC[N@@H+]1C ZINC000336749710 384683999 /nfs/dbraw/zinc/68/39/99/384683999.db2.gz FIFHLCFAJJJRGG-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CC(C)(C)C2)CCC[N@H+]1C ZINC000336749710 384684006 /nfs/dbraw/zinc/68/40/06/384684006.db2.gz FIFHLCFAJJJRGG-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)C1C(C)(C)C1(C)C ZINC000336751026 384718504 /nfs/dbraw/zinc/71/85/04/384718504.db2.gz GFOJTHSCFJECAI-SNVBAGLBSA-N 2 2 212.381 2.208 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)ccc1F ZINC000647549487 384744970 /nfs/dbraw/zinc/74/49/70/384744970.db2.gz CVJMZXSVOGISJA-GXFFZTMASA-N 2 2 236.334 2.222 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nccs1 ZINC000083142226 384745577 /nfs/dbraw/zinc/74/55/77/384745577.db2.gz SGNIBIAZLZGYSQ-SNVBAGLBSA-N 2 2 241.404 2.382 20 0 BEADLP CC(C)c1[nH+]ccn1Cc1cc[nH+]c(N)c1 ZINC000052733062 384746102 /nfs/dbraw/zinc/74/61/02/384746102.db2.gz HKACDSHYUFFFBL-UHFFFAOYSA-N 2 2 216.288 2.032 20 0 BEADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000053035667 384759775 /nfs/dbraw/zinc/75/97/75/384759775.db2.gz STGOLWCVSSSBLK-YHWZYXNKSA-N 2 2 234.343 2.303 20 0 BEADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000053035667 384759783 /nfs/dbraw/zinc/75/97/83/384759783.db2.gz STGOLWCVSSSBLK-YHWZYXNKSA-N 2 2 234.343 2.303 20 0 BEADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000647550735 384765109 /nfs/dbraw/zinc/76/51/09/384765109.db2.gz FDOQEMJYDGGXJX-ZIBATOQPSA-N 2 2 248.345 2.401 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000174229369 384767009 /nfs/dbraw/zinc/76/70/09/384767009.db2.gz MZSGTUJFPOWTIK-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000174229369 384767010 /nfs/dbraw/zinc/76/70/10/384767010.db2.gz MZSGTUJFPOWTIK-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1C ZINC000314149330 384829976 /nfs/dbraw/zinc/82/99/76/384829976.db2.gz KSOJBPBDTBWESB-GXTWGEPZSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1C ZINC000314149330 384829982 /nfs/dbraw/zinc/82/99/82/384829982.db2.gz KSOJBPBDTBWESB-GXTWGEPZSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335498601 384833114 /nfs/dbraw/zinc/83/31/14/384833114.db2.gz QKWVZWHSNJGUOS-TZMCWYRMSA-N 2 2 246.354 2.160 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000107786876 384782696 /nfs/dbraw/zinc/78/26/96/384782696.db2.gz ZERFQJUKSDDOJE-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000107786876 384782706 /nfs/dbraw/zinc/78/27/06/384782706.db2.gz ZERFQJUKSDDOJE-TZMCWYRMSA-N 2 2 248.370 2.440 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622003904 384787232 /nfs/dbraw/zinc/78/72/32/384787232.db2.gz HGMBMOHAZDEEIO-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622003904 384787238 /nfs/dbraw/zinc/78/72/38/384787238.db2.gz HGMBMOHAZDEEIO-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000053389597 384789022 /nfs/dbraw/zinc/78/90/22/384789022.db2.gz ULSWXRVLIQITSQ-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000053389597 384789028 /nfs/dbraw/zinc/78/90/28/384789028.db2.gz ULSWXRVLIQITSQ-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)[NH+](C)C ZINC000309749608 384790976 /nfs/dbraw/zinc/79/09/76/384790976.db2.gz KCDLFFVXGKXNDU-UPJWGTAASA-N 2 2 230.371 2.445 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CCCCC1)[NH+](C)C ZINC000038087656 384790817 /nfs/dbraw/zinc/79/08/17/384790817.db2.gz YKLBZTJCVJQZRN-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccoc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000126609367 384814756 /nfs/dbraw/zinc/81/47/56/384814756.db2.gz REJIMCPJRXZOEX-UHFFFAOYSA-N 2 2 224.348 2.265 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403639463 384848093 /nfs/dbraw/zinc/84/80/93/384848093.db2.gz HDJWNCXIRFIUDA-UPJWGTAASA-N 2 2 222.376 2.106 20 0 BEADLP CC[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000128495708 384953082 /nfs/dbraw/zinc/95/30/82/384953082.db2.gz ZPZPKFUMPNEZBN-SNVBAGLBSA-N 2 2 203.289 2.222 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[C@H]2O)c[nH+]1 ZINC000354318916 384917629 /nfs/dbraw/zinc/91/76/29/384917629.db2.gz MPOUCWKFWRKYMV-LSDHHAIUSA-N 2 2 248.370 2.216 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366207406 384920465 /nfs/dbraw/zinc/92/04/65/384920465.db2.gz AYLBTYDURKMVCJ-PWSUYJOCSA-N 2 2 221.348 2.457 20 0 BEADLP Cc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])c[nH+]1 ZINC000164558311 384925067 /nfs/dbraw/zinc/92/50/67/384925067.db2.gz LUICUAHFYLVLOS-WCQYABFASA-N 2 2 219.332 2.319 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000087289959 384941164 /nfs/dbraw/zinc/94/11/64/384941164.db2.gz GNHLFVZVEGVZIK-LLVKDONJSA-N 2 2 222.332 2.415 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000258904170 384944410 /nfs/dbraw/zinc/94/44/10/384944410.db2.gz MOTWGVBYUHYUOQ-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000152158848 384973824 /nfs/dbraw/zinc/97/38/24/384973824.db2.gz PPGPGSMPEBTMSR-CYBMUJFWSA-N 2 2 247.386 2.434 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)sn1 ZINC000404415791 384981770 /nfs/dbraw/zinc/98/17/70/384981770.db2.gz NKHHZAHBBSUKNR-GHMZBOCLSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)sn1 ZINC000404415791 384981776 /nfs/dbraw/zinc/98/17/76/384981776.db2.gz NKHHZAHBBSUKNR-GHMZBOCLSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cc(C[NH2+]CCC[NH+]2CCCC2)sn1 ZINC000404422409 384991049 /nfs/dbraw/zinc/99/10/49/384991049.db2.gz UCOMNORSJCLDLD-UHFFFAOYSA-N 2 2 239.388 2.027 20 0 BEADLP CC[C@H](CSC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336762002 384996199 /nfs/dbraw/zinc/99/61/99/384996199.db2.gz NIPZYGBEDSQWKQ-TUAOUCFPSA-N 2 2 230.421 2.058 20 0 BEADLP CC[C@H](CSC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336762002 384996203 /nfs/dbraw/zinc/99/62/03/384996203.db2.gz NIPZYGBEDSQWKQ-TUAOUCFPSA-N 2 2 230.421 2.058 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000107778288 385001047 /nfs/dbraw/zinc/00/10/47/385001047.db2.gz BQIPHVHVXTYSQO-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000107778288 385001050 /nfs/dbraw/zinc/00/10/50/385001050.db2.gz BQIPHVHVXTYSQO-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)C[NH+](C)C ZINC000300924696 385062211 /nfs/dbraw/zinc/06/22/11/385062211.db2.gz NEBCIIYKONLYLI-RYUDHWBXSA-N 2 2 200.370 2.208 20 0 BEADLP Cc1cccc(NCc2ccc[nH+]c2N(C)C)[nH+]1 ZINC000157068948 385067436 /nfs/dbraw/zinc/06/74/36/385067436.db2.gz ARRCFJYAFMLQTQ-UHFFFAOYSA-N 2 2 242.326 2.463 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000131079452 385071502 /nfs/dbraw/zinc/07/15/02/385071502.db2.gz GPDUHXSTQZXIAE-MNOVXSKESA-N 2 2 212.381 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000131079452 385071510 /nfs/dbraw/zinc/07/15/10/385071510.db2.gz GPDUHXSTQZXIAE-MNOVXSKESA-N 2 2 212.381 2.493 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000053201543 385035859 /nfs/dbraw/zinc/03/58/59/385035859.db2.gz LSTYKSWIEQFBBH-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000053201543 385035866 /nfs/dbraw/zinc/03/58/66/385035866.db2.gz LSTYKSWIEQFBBH-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000238502508 385041880 /nfs/dbraw/zinc/04/18/80/385041880.db2.gz AKNCKXFPQULRRK-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000308834856 385201810 /nfs/dbraw/zinc/20/18/10/385201810.db2.gz KVDGQNDLWYNOTC-GFCCVEGCSA-N 2 2 208.349 2.005 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252710111 385190200 /nfs/dbraw/zinc/19/02/00/385190200.db2.gz FSEAPMJZVPWKTA-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252710111 385190207 /nfs/dbraw/zinc/19/02/07/385190207.db2.gz FSEAPMJZVPWKTA-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(N[C@@H](C)C[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000164638322 385194589 /nfs/dbraw/zinc/19/45/89/385194589.db2.gz VOJNGOVLOGTOQE-NWDGAFQWSA-N 2 2 219.332 2.333 20 0 BEADLP Cc1ccncc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000227423851 385145685 /nfs/dbraw/zinc/14/56/85/385145685.db2.gz YORHCCDGKYTCGV-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000227423851 385145692 /nfs/dbraw/zinc/14/56/92/385145692.db2.gz YORHCCDGKYTCGV-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cl/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157359499 385150111 /nfs/dbraw/zinc/15/01/11/385150111.db2.gz XSYNTHWWFYTHBB-OGOUPESXSA-N 2 2 228.767 2.157 20 0 BEADLP Cl/C=C/C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157359499 385150115 /nfs/dbraw/zinc/15/01/15/385150115.db2.gz XSYNTHWWFYTHBB-OGOUPESXSA-N 2 2 228.767 2.157 20 0 BEADLP C[C@H](CNc1cccc[nH+]1)C[NH+]1CCCC1 ZINC000062075334 385155327 /nfs/dbraw/zinc/15/53/27/385155327.db2.gz RPPJGHPMWBVZAN-GFCCVEGCSA-N 2 2 219.332 2.225 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCC1)c1cccnc1 ZINC000359282579 385155345 /nfs/dbraw/zinc/15/53/45/385155345.db2.gz XNLOIAYCAZGACJ-HNNXBMFYSA-N 2 2 247.386 2.464 20 0 BEADLP c1cn(-c2ccc(C[NH+]3CCCCC3)cn2)c[nH+]1 ZINC000176977518 385165346 /nfs/dbraw/zinc/16/53/46/385165346.db2.gz RTBRVHJULQRJMT-UHFFFAOYSA-N 2 2 242.326 2.253 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000235088785 385171553 /nfs/dbraw/zinc/17/15/53/385171553.db2.gz PZAHVCYKCZFBQZ-MFKMUULPSA-N 2 2 236.384 2.188 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000235088785 385171559 /nfs/dbraw/zinc/17/15/59/385171559.db2.gz PZAHVCYKCZFBQZ-MFKMUULPSA-N 2 2 236.384 2.188 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000647482298 385207039 /nfs/dbraw/zinc/20/70/39/385207039.db2.gz FIOLDQZQYXEZCK-VXYRWZGASA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000647482298 385207043 /nfs/dbraw/zinc/20/70/43/385207043.db2.gz FIOLDQZQYXEZCK-VXYRWZGASA-N 2 2 234.318 2.262 20 0 BEADLP Cc1cccc(N2CC[NH+](CC(C)C)CC2)[nH+]1 ZINC000166405121 385240590 /nfs/dbraw/zinc/24/05/90/385240590.db2.gz VVXPQXOCVHVLHZ-UHFFFAOYSA-N 2 2 233.359 2.168 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000130459222 385251379 /nfs/dbraw/zinc/25/13/79/385251379.db2.gz UVWKYCRRHQGOLR-CYBMUJFWSA-N 2 2 248.370 2.009 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000157505405 385202887 /nfs/dbraw/zinc/20/28/87/385202887.db2.gz PFLNOZMXIDGENH-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000157505405 385202892 /nfs/dbraw/zinc/20/28/92/385202892.db2.gz PFLNOZMXIDGENH-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000020126803 385307987 /nfs/dbraw/zinc/30/79/87/385307987.db2.gz QUECJDKCNZGLPG-CYBMUJFWSA-N 2 2 218.344 2.433 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000044421636 385309524 /nfs/dbraw/zinc/30/95/24/385309524.db2.gz RWSFGGUKKDEDEE-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000044421636 385309527 /nfs/dbraw/zinc/30/95/27/385309527.db2.gz RWSFGGUKKDEDEE-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccccc1C(F)(F)F ZINC000037712375 385265871 /nfs/dbraw/zinc/26/58/71/385265871.db2.gz WWXBJNAVBPNOJT-MRVPVSSYSA-N 2 2 232.249 2.315 20 0 BEADLP Cc1cc[nH+]c(NCC[N@@H+]2CC=CCC2)c1 ZINC000280303582 385293576 /nfs/dbraw/zinc/29/35/76/385293576.db2.gz RQTAZGWUZWRHGI-UHFFFAOYSA-N 2 2 217.316 2.064 20 0 BEADLP C[N@H+](Cc1ccc2cnccc2c1)[C@@H]1CC[NH2+]C1 ZINC000647495115 385361861 /nfs/dbraw/zinc/36/18/61/385361861.db2.gz XIZGWSLGIPKMID-OAHLLOKOSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1ccc2cnccc2c1)[C@@H]1CC[NH2+]C1 ZINC000647495115 385361866 /nfs/dbraw/zinc/36/18/66/385361866.db2.gz XIZGWSLGIPKMID-OAHLLOKOSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309056018 385387392 /nfs/dbraw/zinc/38/73/92/385387392.db2.gz ULNWOEKINDJTIM-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CCCCC2)CCC[N@@H+]1C ZINC000309119400 385423964 /nfs/dbraw/zinc/42/39/64/385423964.db2.gz MZHYULCFAWQYIG-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CCCCC2)CCC[N@H+]1C ZINC000309119400 385423966 /nfs/dbraw/zinc/42/39/66/385423966.db2.gz MZHYULCFAWQYIG-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+](C)C ZINC000309079253 385398478 /nfs/dbraw/zinc/39/84/78/385398478.db2.gz NTXCSRRWZHTIHT-JHJVBQTASA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+](C)C ZINC000309079255 385398493 /nfs/dbraw/zinc/39/84/93/385398493.db2.gz NTXCSRRWZHTIHT-YNEHKIRRSA-N 2 2 212.381 2.208 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CCOC(C)(C)C ZINC000181069652 385403127 /nfs/dbraw/zinc/40/31/27/385403127.db2.gz WXJKJRKROZTOBN-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CCOC(C)(C)C ZINC000181069652 385403128 /nfs/dbraw/zinc/40/31/28/385403128.db2.gz WXJKJRKROZTOBN-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000309095397 385407952 /nfs/dbraw/zinc/40/79/52/385407952.db2.gz CQJPNBASXBDLAS-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000309095397 385407954 /nfs/dbraw/zinc/40/79/54/385407954.db2.gz CQJPNBASXBDLAS-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000309163430 385444538 /nfs/dbraw/zinc/44/45/38/385444538.db2.gz HYXGKTPPNFNRMJ-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000309163430 385444540 /nfs/dbraw/zinc/44/45/40/385444540.db2.gz HYXGKTPPNFNRMJ-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1CC ZINC000309164900 385445050 /nfs/dbraw/zinc/44/50/50/385445050.db2.gz IOAFDAYTILQBOY-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1CC ZINC000309164900 385445052 /nfs/dbraw/zinc/44/50/52/385445052.db2.gz IOAFDAYTILQBOY-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000309193275 385456447 /nfs/dbraw/zinc/45/64/47/385456447.db2.gz QBGBRVJKHPNPEX-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000309193275 385456454 /nfs/dbraw/zinc/45/64/54/385456454.db2.gz QBGBRVJKHPNPEX-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC2(C)C)CCC[N@@H+]1C ZINC000309144295 385434327 /nfs/dbraw/zinc/43/43/27/385434327.db2.gz URDQASBANGIECO-GRYCIOLGSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC2(C)C)CCC[N@H+]1C ZINC000309144295 385434328 /nfs/dbraw/zinc/43/43/28/385434328.db2.gz URDQASBANGIECO-GRYCIOLGSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H](CSC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000179664675 385482164 /nfs/dbraw/zinc/48/21/64/385482164.db2.gz HGKJCZRBFVAYND-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CC[C@@H](CSC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000179664675 385482168 /nfs/dbraw/zinc/48/21/68/385482168.db2.gz HGKJCZRBFVAYND-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CC[C@H](F)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000309207041 385482596 /nfs/dbraw/zinc/48/25/96/385482596.db2.gz SFBMHGDIQNFIGQ-NSHDSACASA-N 2 2 216.344 2.197 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000054081093 385463289 /nfs/dbraw/zinc/46/32/89/385463289.db2.gz ILNOSDQQSMWHOM-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC000336768959 385463640 /nfs/dbraw/zinc/46/36/40/385463640.db2.gz VDMOAPCNANJXCE-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH+](C)C ZINC000157365202 385497445 /nfs/dbraw/zinc/49/74/45/385497445.db2.gz JIFGOYOUGFHMOU-RYUDHWBXSA-N 2 2 238.350 2.296 20 0 BEADLP c1cn(CCC[NH2+]C2CC3(CCC3)C2)c[nH+]1 ZINC000309289785 385515249 /nfs/dbraw/zinc/51/52/49/385515249.db2.gz PTZNTYIGPFTBIU-UHFFFAOYSA-N 2 2 219.332 2.196 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000302428496 385523900 /nfs/dbraw/zinc/52/39/00/385523900.db2.gz MHYAOOZQHHQMLV-CYBMUJFWSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1CC[C@H](N(C)c2cc[nH+]c(C)n2)C[C@H]1C ZINC000361053243 385528142 /nfs/dbraw/zinc/52/81/42/385528142.db2.gz QHXMEZHRUPIRSP-YPMHNXCESA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@H](N(C)c2cc[nH+]c(C)n2)C[C@H]1C ZINC000361053243 385528145 /nfs/dbraw/zinc/52/81/45/385528145.db2.gz QHXMEZHRUPIRSP-YPMHNXCESA-N 2 2 248.374 2.094 20 0 BEADLP CC(C)(C)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000309364963 385551484 /nfs/dbraw/zinc/55/14/84/385551484.db2.gz PJUJATXWCSZUAT-LLVKDONJSA-N 2 2 221.348 2.224 20 0 BEADLP CC[N@H+](CC[NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000309445130 385587264 /nfs/dbraw/zinc/58/72/64/385587264.db2.gz JNLMKOWTEBENTM-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000309445130 385587266 /nfs/dbraw/zinc/58/72/66/385587266.db2.gz JNLMKOWTEBENTM-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@H](C[NH2+]CC1(SC)CC1)[NH+]1CCCC1 ZINC000336680781 385630752 /nfs/dbraw/zinc/63/07/52/385630752.db2.gz CYLPUXYDHWVEKJ-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597174910 385664504 /nfs/dbraw/zinc/66/45/04/385664504.db2.gz ZJYBVVGSOMVHSW-SDDRHHMPSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597174910 385664510 /nfs/dbraw/zinc/66/45/10/385664510.db2.gz ZJYBVVGSOMVHSW-SDDRHHMPSA-N 2 2 242.432 2.343 20 0 BEADLP c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)[nH+]c1 ZINC000269881505 385645867 /nfs/dbraw/zinc/64/58/67/385645867.db2.gz SBYRAHXJTQVWMR-GFCCVEGCSA-N 2 2 240.310 2.167 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000309512551 385646172 /nfs/dbraw/zinc/64/61/72/385646172.db2.gz XVBNNOSOIOASQD-NWDGAFQWSA-N 2 2 221.348 2.297 20 0 BEADLP CCC1CC([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000336733832 385647418 /nfs/dbraw/zinc/64/74/18/385647418.db2.gz KGHKSGRPPDGYIA-WXRRBKDZSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000309512549 385647340 /nfs/dbraw/zinc/64/73/40/385647340.db2.gz XVBNNOSOIOASQD-NEPJUHHUSA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000336733963 385650833 /nfs/dbraw/zinc/65/08/33/385650833.db2.gz KODKFRSPGRQMKN-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000336733963 385650839 /nfs/dbraw/zinc/65/08/39/385650839.db2.gz KODKFRSPGRQMKN-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336653230 385665887 /nfs/dbraw/zinc/66/58/87/385665887.db2.gz GCCPGIPKFRKUJL-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336653230 385665895 /nfs/dbraw/zinc/66/58/95/385665895.db2.gz GCCPGIPKFRKUJL-UONOGXRCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH2+]CC[NH2+]CCSCc1ccccc1 ZINC000414851433 385659195 /nfs/dbraw/zinc/65/91/95/385659195.db2.gz UIHMICHTJGXGNT-UHFFFAOYSA-N 2 2 238.400 2.119 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000414852188 385674280 /nfs/dbraw/zinc/67/42/80/385674280.db2.gz VRGIUWRWAAHMNB-GFCCVEGCSA-N 2 2 238.762 2.490 20 0 BEADLP C[NH+](C)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270552280 385717248 /nfs/dbraw/zinc/71/72/48/385717248.db2.gz GMFMUPCHWOUYOT-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP CCCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414852820 385679466 /nfs/dbraw/zinc/67/94/66/385679466.db2.gz WLXUBLNVOQMCDH-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414852967 385681166 /nfs/dbraw/zinc/68/11/66/385681166.db2.gz XCBUXEWTGIGBOD-UHFFFAOYSA-N 2 2 249.383 2.304 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCC1CC1 ZINC000336739250 385685772 /nfs/dbraw/zinc/68/57/72/385685772.db2.gz LBYQOQDAGHBFHO-NWDGAFQWSA-N 2 2 221.348 2.440 20 0 BEADLP Cc1occc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000182699801 385695202 /nfs/dbraw/zinc/69/52/02/385695202.db2.gz WVYRYCHKEJWBJG-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Cc1occc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182699801 385695207 /nfs/dbraw/zinc/69/52/07/385695207.db2.gz WVYRYCHKEJWBJG-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC12CCC2 ZINC000309572644 385702971 /nfs/dbraw/zinc/70/29/71/385702971.db2.gz NZPNXZHQQSJVEB-NEPJUHHUSA-N 2 2 219.332 2.194 20 0 BEADLP C[C@@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000182789925 385707608 /nfs/dbraw/zinc/70/76/08/385707608.db2.gz ZTZCKXKPZHSHMT-RYUDHWBXSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000182789925 385707615 /nfs/dbraw/zinc/70/76/15/385707615.db2.gz ZTZCKXKPZHSHMT-RYUDHWBXSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586723 385711006 /nfs/dbraw/zinc/71/10/06/385711006.db2.gz SAHUBZPQTBCVLS-JTNHKYCSSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586723 385711009 /nfs/dbraw/zinc/71/10/09/385711009.db2.gz SAHUBZPQTBCVLS-JTNHKYCSSA-N 2 2 222.376 2.247 20 0 BEADLP CCC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000336740375 385713572 /nfs/dbraw/zinc/71/35/72/385713572.db2.gz UJNVKWMFOOIFJI-CXQJBGSLSA-N 2 2 208.349 2.001 20 0 BEADLP CCC1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000336740375 385713575 /nfs/dbraw/zinc/71/35/75/385713575.db2.gz UJNVKWMFOOIFJI-CXQJBGSLSA-N 2 2 208.349 2.001 20 0 BEADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309531623 385666375 /nfs/dbraw/zinc/66/63/75/385666375.db2.gz BYTGDXFWYSKKEA-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP Clc1csc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414851757 385666660 /nfs/dbraw/zinc/66/66/60/385666660.db2.gz UZMKHSUSQYHLSM-SECBINFHSA-N 2 2 230.764 2.243 20 0 BEADLP Cc1nc(C)c(C[NH2+]C[C@@H]([NH3+])CC(C)C)s1 ZINC000336683817 385669651 /nfs/dbraw/zinc/66/96/51/385669651.db2.gz SPUMQSDRCKFNOB-NSHDSACASA-N 2 2 241.404 2.223 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1c(Cl)cccc1OC ZINC000414858718 385736900 /nfs/dbraw/zinc/73/69/00/385736900.db2.gz KUTQMZQIPIVMRZ-UHFFFAOYSA-N 2 2 242.750 2.048 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CCCn1cc[nH+]c1 ZINC000186198052 385747469 /nfs/dbraw/zinc/74/74/69/385747469.db2.gz MYJFBJZYWRPHOG-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCC1CC1 ZINC000186201964 385747731 /nfs/dbraw/zinc/74/77/31/385747731.db2.gz MWYMLRCVKWDRJV-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CCn1cc[nH+]c1 ZINC000186207278 385747784 /nfs/dbraw/zinc/74/77/84/385747784.db2.gz XFAWWSRSRTXQMC-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CCn1cc[nH+]c1 ZINC000186207260 385747871 /nfs/dbraw/zinc/74/78/71/385747871.db2.gz XFAWWSRSRTXQMC-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP CCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000270895100 385757422 /nfs/dbraw/zinc/75/74/22/385757422.db2.gz YODYTXDEPUIFAS-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000336655633 385761022 /nfs/dbraw/zinc/76/10/22/385761022.db2.gz HPPSGFADDQUDHG-NWDGAFQWSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000336655631 385765834 /nfs/dbraw/zinc/76/58/34/385765834.db2.gz HPPSGFADDQUDHG-NEPJUHHUSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000309660559 385778984 /nfs/dbraw/zinc/77/89/84/385778984.db2.gz ASOFYBATEVLTJT-RGDJUOJXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000309660559 385778987 /nfs/dbraw/zinc/77/89/87/385778987.db2.gz ASOFYBATEVLTJT-RGDJUOJXSA-N 2 2 224.392 2.351 20 0 BEADLP CCCOc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414867873 385812303 /nfs/dbraw/zinc/81/23/03/385812303.db2.gz OYIDALJWIKJHII-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP CO[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)C(C)C ZINC000271314288 385816602 /nfs/dbraw/zinc/81/66/02/385816602.db2.gz XIGYZQKVZSXUMO-CYBMUJFWSA-N 2 2 247.342 2.095 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1F ZINC000414952330 385823832 /nfs/dbraw/zinc/82/38/32/385823832.db2.gz KGHPKPAQNFICCK-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977876 385825717 /nfs/dbraw/zinc/82/57/17/385825717.db2.gz NYSYYBYPLUGDGP-NWDGAFQWSA-N 2 2 237.347 2.014 20 0 BEADLP CC[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977876 385825720 /nfs/dbraw/zinc/82/57/20/385825720.db2.gz NYSYYBYPLUGDGP-NWDGAFQWSA-N 2 2 237.347 2.014 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000414868650 385826930 /nfs/dbraw/zinc/82/69/30/385826930.db2.gz DWEYUPOYRCGOBJ-QWHCGFSZSA-N 2 2 242.407 2.027 20 0 BEADLP COCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000228707415 385850145 /nfs/dbraw/zinc/85/01/45/385850145.db2.gz HWGKRXSSTSHQMI-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000228707415 385850149 /nfs/dbraw/zinc/85/01/49/385850149.db2.gz HWGKRXSSTSHQMI-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000414961987 385889963 /nfs/dbraw/zinc/88/99/63/385889963.db2.gz RYUFRVWRAAUSBL-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cnccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000294858971 385905990 /nfs/dbraw/zinc/90/59/90/385905990.db2.gz PIWJMAUIPYZQHF-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272598923 385917091 /nfs/dbraw/zinc/91/70/91/385917091.db2.gz ISFBWOSXZQXSQD-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272598923 385917093 /nfs/dbraw/zinc/91/70/93/385917093.db2.gz ISFBWOSXZQXSQD-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)o1 ZINC000272598923 385917098 /nfs/dbraw/zinc/91/70/98/385917098.db2.gz ISFBWOSXZQXSQD-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)o1 ZINC000272598923 385917105 /nfs/dbraw/zinc/91/71/05/385917105.db2.gz ISFBWOSXZQXSQD-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])s1 ZINC000335033661 385921554 /nfs/dbraw/zinc/92/15/54/385921554.db2.gz HEEIHJZJISCCLQ-QWRGUYRKSA-N 2 2 239.388 2.201 20 0 BEADLP C[C@@H](CC[NH3+])[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000414877539 385924279 /nfs/dbraw/zinc/92/42/79/385924279.db2.gz GCJJJSACILKOEZ-NSHDSACASA-N 2 2 245.326 2.169 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@H+](C)C1CC1 ZINC000336719814 385859396 /nfs/dbraw/zinc/85/93/96/385859396.db2.gz ZFZLIZDDWZXIMH-DCQANWLSSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC000336719814 385859400 /nfs/dbraw/zinc/85/94/00/385859400.db2.gz ZFZLIZDDWZXIMH-DCQANWLSSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccc(F)cc1 ZINC000271960691 385863886 /nfs/dbraw/zinc/86/38/86/385863886.db2.gz GRMNQLXWSDDHLV-NEPJUHHUSA-N 2 2 238.350 2.469 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000337993800 385871720 /nfs/dbraw/zinc/87/17/20/385871720.db2.gz TXMHMBHGCQFRBH-ZIAGYGMSSA-N 2 2 233.359 2.442 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)CC2 ZINC000338016799 385875270 /nfs/dbraw/zinc/87/52/70/385875270.db2.gz VRYLEZKFHZCEOW-MGPQQGTHSA-N 2 2 245.370 2.366 20 0 BEADLP CCC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)OC ZINC000295139024 385976558 /nfs/dbraw/zinc/97/65/58/385976558.db2.gz PNKNIEHHRAAEGF-CYBMUJFWSA-N 2 2 247.342 2.239 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000221153476 385978624 /nfs/dbraw/zinc/97/86/24/385978624.db2.gz BJWDXUONEQPGCF-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000221153476 385978629 /nfs/dbraw/zinc/97/86/29/385978629.db2.gz BJWDXUONEQPGCF-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000414131037 385979545 /nfs/dbraw/zinc/97/95/45/385979545.db2.gz YOMRTJRWDVSVPA-QWHCGFSZSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)Cc1ccccc1 ZINC000273260736 385982686 /nfs/dbraw/zinc/98/26/86/385982686.db2.gz XYKBFGNFPXTVKX-ZIAGYGMSSA-N 2 2 234.387 2.405 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1F ZINC000338364202 385987333 /nfs/dbraw/zinc/98/73/33/385987333.db2.gz BVBGILGBVSRSDO-NSHDSACASA-N 2 2 248.305 2.158 20 0 BEADLP Cc1cccc(C)c1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000335039048 385930544 /nfs/dbraw/zinc/93/05/44/385930544.db2.gz LLXYEQNNFKRSOX-OLZOCXBDSA-N 2 2 218.344 2.316 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335040875 385932450 /nfs/dbraw/zinc/93/24/50/385932450.db2.gz HOFWYEYVVLIMBD-UKRRQHHQSA-N 2 2 230.355 2.324 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000189043024 385933514 /nfs/dbraw/zinc/93/35/14/385933514.db2.gz REMGUPDEOIPKTB-ZDUSSCGKSA-N 2 2 222.376 2.395 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(F)c1F ZINC000335043824 385935515 /nfs/dbraw/zinc/93/55/15/385935515.db2.gz WZQTWONXBQYXCF-SECBINFHSA-N 2 2 240.297 2.367 20 0 BEADLP CC1(C)CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000336768091 385937906 /nfs/dbraw/zinc/93/79/06/385937906.db2.gz UJQFZCHHUIGCIA-UHFFFAOYSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414062963 385938335 /nfs/dbraw/zinc/93/83/35/385938335.db2.gz DIGUTQRBNADPFO-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414062963 385938343 /nfs/dbraw/zinc/93/83/43/385938343.db2.gz DIGUTQRBNADPFO-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@H]1C[C@H]1C ZINC000414071926 385946246 /nfs/dbraw/zinc/94/62/46/385946246.db2.gz MENAGZAXNNILOX-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@H]1C[C@H]1C ZINC000414071926 385946256 /nfs/dbraw/zinc/94/62/56/385946256.db2.gz MENAGZAXNNILOX-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285624882 385950152 /nfs/dbraw/zinc/95/01/52/385950152.db2.gz WSDCZPVGKKJGFG-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285624882 385950158 /nfs/dbraw/zinc/95/01/58/385950158.db2.gz WSDCZPVGKKJGFG-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285624882 385950163 /nfs/dbraw/zinc/95/01/63/385950163.db2.gz WSDCZPVGKKJGFG-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285624882 385950170 /nfs/dbraw/zinc/95/01/70/385950170.db2.gz WSDCZPVGKKJGFG-YIONKMFJSA-N 2 2 245.370 2.139 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057108 385956404 /nfs/dbraw/zinc/95/64/04/385956404.db2.gz XBANSKGHBPONQI-SMDDNHRTSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057108 385956409 /nfs/dbraw/zinc/95/64/09/385956409.db2.gz XBANSKGHBPONQI-SMDDNHRTSA-N 2 2 245.370 2.407 20 0 BEADLP [NH3+]C[C@H]1CCC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058173 385958568 /nfs/dbraw/zinc/95/85/68/385958568.db2.gz YQWMDFALPTZHEZ-BXUZGUMPSA-N 2 2 231.343 2.194 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000342216374 385959255 /nfs/dbraw/zinc/95/92/55/385959255.db2.gz QMGLDTYISMNUMU-ZYOFXKKJSA-N 2 2 236.334 2.379 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1C[C@H]1C ZINC000414108380 385969414 /nfs/dbraw/zinc/96/94/14/385969414.db2.gz LQDSMLUFEDICFD-XGFWRYKXSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@H]1C ZINC000414108380 385969419 /nfs/dbraw/zinc/96/94/19/385969419.db2.gz LQDSMLUFEDICFD-XGFWRYKXSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[C@@H]1C[C@H]1C ZINC000414111181 386005556 /nfs/dbraw/zinc/00/55/56/386005556.db2.gz MDOXRRHTFMQLAO-QFCKPIOYSA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[C@@H]1C[C@H]1C ZINC000414111181 386005558 /nfs/dbraw/zinc/00/55/58/386005558.db2.gz MDOXRRHTFMQLAO-QFCKPIOYSA-N 2 2 236.403 2.493 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336751097 386006150 /nfs/dbraw/zinc/00/61/50/386006150.db2.gz FLRNGIKAYPVYOS-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336751097 386006157 /nfs/dbraw/zinc/00/61/57/386006157.db2.gz FLRNGIKAYPVYOS-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC12CCC2 ZINC000336753347 386023111 /nfs/dbraw/zinc/02/31/11/386023111.db2.gz HOROMAINDQUIRO-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC12CCC2 ZINC000336753347 386023116 /nfs/dbraw/zinc/02/31/16/386023116.db2.gz HOROMAINDQUIRO-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414977397 386031462 /nfs/dbraw/zinc/03/14/62/386031462.db2.gz JUSBOKNPVQTCBP-NSHDSACASA-N 2 2 236.290 2.399 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414980083 386046420 /nfs/dbraw/zinc/04/64/20/386046420.db2.gz OWPPHTOOPXYAAX-LLVKDONJSA-N 2 2 248.326 2.268 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C ZINC000414167300 386050996 /nfs/dbraw/zinc/05/09/96/386050996.db2.gz SGCKJYNRPUGVLX-KKOKHZNYSA-N 2 2 233.359 2.291 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C ZINC000414167300 386050999 /nfs/dbraw/zinc/05/09/99/386050999.db2.gz SGCKJYNRPUGVLX-KKOKHZNYSA-N 2 2 233.359 2.291 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1F ZINC000414987224 386124367 /nfs/dbraw/zinc/12/43/67/386124367.db2.gz YMVKVKTUFSGSGZ-SECBINFHSA-N 2 2 230.714 2.306 20 0 BEADLP CC(C)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000038033231 386115560 /nfs/dbraw/zinc/11/55/60/386115560.db2.gz HGNPUWZIKMWZFV-UHFFFAOYSA-N 2 2 220.360 2.493 20 0 BEADLP CC(C)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000038033231 386115565 /nfs/dbraw/zinc/11/55/65/386115565.db2.gz HGNPUWZIKMWZFV-UHFFFAOYSA-N 2 2 220.360 2.493 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000414890020 386118822 /nfs/dbraw/zinc/11/88/22/386118822.db2.gz GXJBAPVENKWKBP-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414329437 386124158 /nfs/dbraw/zinc/12/41/58/386124158.db2.gz DBXIHAWOCMSUEU-LOWDOPEQSA-N 2 2 234.343 2.065 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414329437 386124162 /nfs/dbraw/zinc/12/41/62/386124162.db2.gz DBXIHAWOCMSUEU-LOWDOPEQSA-N 2 2 234.343 2.065 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336772682 386074198 /nfs/dbraw/zinc/07/41/98/386074198.db2.gz XYNRMDPONLIMRI-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336772682 386074200 /nfs/dbraw/zinc/07/42/00/386074200.db2.gz XYNRMDPONLIMRI-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414984047 386081909 /nfs/dbraw/zinc/08/19/09/386081909.db2.gz UQTBJTYRJSKDES-CYBMUJFWSA-N 2 2 248.370 2.227 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000286911191 386084406 /nfs/dbraw/zinc/08/44/06/386084406.db2.gz FCGSJYZNBGGQLT-AWEZNQCLSA-N 2 2 233.359 2.085 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000414281969 386094199 /nfs/dbraw/zinc/09/41/99/386094199.db2.gz NEEUNWSFELHHFS-AEJSXWLSSA-N 2 2 238.297 2.115 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC(F)(F)F ZINC000414281969 386094205 /nfs/dbraw/zinc/09/42/05/386094205.db2.gz NEEUNWSFELHHFS-AEJSXWLSSA-N 2 2 238.297 2.115 20 0 BEADLP Cc1ccc(C[C@H]([NH2+]CC[NH+](C)C)C2CC2)cc1 ZINC000287160286 386097663 /nfs/dbraw/zinc/09/76/63/386097663.db2.gz TXPONBPCCDHDCX-INIZCTEOSA-N 2 2 246.398 2.467 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000296204794 386147523 /nfs/dbraw/zinc/14/75/23/386147523.db2.gz ZHQIJVBCZYCWFK-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000296204794 386147529 /nfs/dbraw/zinc/14/75/29/386147529.db2.gz ZHQIJVBCZYCWFK-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000296204794 386147537 /nfs/dbraw/zinc/14/75/37/386147537.db2.gz ZHQIJVBCZYCWFK-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000296204794 386147544 /nfs/dbraw/zinc/14/75/44/386147544.db2.gz ZHQIJVBCZYCWFK-HIFRSBDPSA-N 2 2 247.386 2.162 20 0 BEADLP C[C@@H](CC[NH3+])[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000414892669 386152606 /nfs/dbraw/zinc/15/26/06/386152606.db2.gz XHTVWAPPHVHWPP-VIFPVBQESA-N 2 2 241.404 2.268 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414992484 386156752 /nfs/dbraw/zinc/15/67/52/386156752.db2.gz RPVXUTDSGNHCBS-NSHDSACASA-N 2 2 230.714 2.306 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC000430616202 386161072 /nfs/dbraw/zinc/16/10/72/386161072.db2.gz FQPMARYBGYNREQ-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCCc2ccccc2C)C1 ZINC000430616202 386161076 /nfs/dbraw/zinc/16/10/76/386161076.db2.gz FQPMARYBGYNREQ-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC1(C)CCC1 ZINC000340275173 386182740 /nfs/dbraw/zinc/18/27/40/386182740.db2.gz AOAKPZYMDGPTGE-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC1(C)CCC1 ZINC000340275173 386182746 /nfs/dbraw/zinc/18/27/46/386182746.db2.gz AOAKPZYMDGPTGE-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1ccccc1[C@@H]1C[N@H+](CCC[NH3+])[C@@H](C)CO1 ZINC000414693152 386187923 /nfs/dbraw/zinc/18/79/23/386187923.db2.gz DVCVZNXZWDUHIC-ZFWWWQNUSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccccc1[C@@H]1C[N@@H+](CCC[NH3+])[C@@H](C)CO1 ZINC000414693152 386187929 /nfs/dbraw/zinc/18/79/29/386187929.db2.gz DVCVZNXZWDUHIC-ZFWWWQNUSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000336742574 386203118 /nfs/dbraw/zinc/20/31/18/386203118.db2.gz OLNVEGNGODIUCJ-NWDGAFQWSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000336742574 386203119 /nfs/dbraw/zinc/20/31/19/386203119.db2.gz OLNVEGNGODIUCJ-NWDGAFQWSA-N 2 2 219.332 2.285 20 0 BEADLP C[C@@H](CF)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000288520981 386212480 /nfs/dbraw/zinc/21/24/80/386212480.db2.gz UQGXWURQUKEAEW-NSHDSACASA-N 2 2 233.290 2.320 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226010799 386231790 /nfs/dbraw/zinc/23/17/90/386231790.db2.gz SKVYXMPJYKIYHG-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226010799 386231796 /nfs/dbraw/zinc/23/17/96/386231796.db2.gz SKVYXMPJYKIYHG-JSGCOSHPSA-N 2 2 248.370 2.007 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000414716702 386238078 /nfs/dbraw/zinc/23/80/78/386238078.db2.gz SQOXSTVWZQBTTP-GXTWGEPZSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000414716702 386238081 /nfs/dbraw/zinc/23/80/81/386238081.db2.gz SQOXSTVWZQBTTP-GXTWGEPZSA-N 2 2 235.375 2.448 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000288961837 386243855 /nfs/dbraw/zinc/24/38/55/386243855.db2.gz AYPWRYBJORBRBL-CQSZACIVSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](CO)C1 ZINC000288961837 386243862 /nfs/dbraw/zinc/24/38/62/386243862.db2.gz AYPWRYBJORBRBL-CQSZACIVSA-N 2 2 248.370 2.027 20 0 BEADLP CCc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000319824920 386193225 /nfs/dbraw/zinc/19/32/25/386193225.db2.gz WJNHTWMGMQWTGD-BETUJISGSA-N 2 2 235.375 2.423 20 0 BEADLP CCc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000319824920 386193229 /nfs/dbraw/zinc/19/32/29/386193229.db2.gz WJNHTWMGMQWTGD-BETUJISGSA-N 2 2 235.375 2.423 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CC(OC(C)C)C1 ZINC000428102960 386197435 /nfs/dbraw/zinc/19/74/35/386197435.db2.gz MKMZEVYJPFMUNQ-UHFFFAOYSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CC(OC(C)C)C1 ZINC000428102960 386197438 /nfs/dbraw/zinc/19/74/38/386197438.db2.gz MKMZEVYJPFMUNQ-UHFFFAOYSA-N 2 2 242.407 2.264 20 0 BEADLP CSc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000133242928 386287361 /nfs/dbraw/zinc/28/73/61/386287361.db2.gz LDTFAXOIMRCICH-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000133242928 386287367 /nfs/dbraw/zinc/28/73/67/386287367.db2.gz LDTFAXOIMRCICH-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000647885871 386290780 /nfs/dbraw/zinc/29/07/80/386290780.db2.gz ZOIKZMUGVBIPBB-YPMHNXCESA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000647885871 386290785 /nfs/dbraw/zinc/29/07/85/386290785.db2.gz ZOIKZMUGVBIPBB-YPMHNXCESA-N 2 2 236.384 2.124 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCOC1 ZINC000289355396 386291182 /nfs/dbraw/zinc/29/11/82/386291182.db2.gz NLIKUGDDBNWBAB-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCOC1 ZINC000289355396 386291184 /nfs/dbraw/zinc/29/11/84/386291184.db2.gz NLIKUGDDBNWBAB-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000336730912 386299533 /nfs/dbraw/zinc/29/95/33/386299533.db2.gz IOGFHMYQAPHWMA-UBHSHLNASA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000336730912 386299537 /nfs/dbraw/zinc/29/95/37/386299537.db2.gz IOGFHMYQAPHWMA-UBHSHLNASA-N 2 2 224.392 2.493 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000414901854 386304356 /nfs/dbraw/zinc/30/43/56/386304356.db2.gz XPYQZKKPUKVALA-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000289478117 386313819 /nfs/dbraw/zinc/31/38/19/386313819.db2.gz ZPJWJXLRAIWTLG-CQSZACIVSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCO[C@H](C)C1 ZINC000289478117 386313824 /nfs/dbraw/zinc/31/38/24/386313824.db2.gz ZPJWJXLRAIWTLG-CQSZACIVSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000415006267 386315216 /nfs/dbraw/zinc/31/52/16/386315216.db2.gz KGLBXVVLTHGUQM-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@H](C[NH2+]CCc1cccc(Cl)c1)[NH+](C)C ZINC000297613849 386265380 /nfs/dbraw/zinc/26/53/80/386265380.db2.gz KTVJDXHKSXPZHX-LLVKDONJSA-N 2 2 240.778 2.422 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCO1 ZINC000289198629 386272106 /nfs/dbraw/zinc/27/21/06/386272106.db2.gz HLOJILAAKOTIHD-CQSZACIVSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCOCC1 ZINC000289247100 386277142 /nfs/dbraw/zinc/27/71/42/386277142.db2.gz LMTJAERJUDHIII-UHFFFAOYSA-N 2 2 234.343 2.091 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335276933 386340623 /nfs/dbraw/zinc/34/06/23/386340623.db2.gz IKASRRJDUXOPBC-CHWSQXEVSA-N 2 2 240.297 2.324 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000289746658 386349549 /nfs/dbraw/zinc/34/95/49/386349549.db2.gz HWKGMLWPMIIICG-VXGBXAGGSA-N 2 2 247.342 2.156 20 0 BEADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000336691734 386364291 /nfs/dbraw/zinc/36/42/91/386364291.db2.gz BZHXWUMVJPLLGD-ZDUSSCGKSA-N 2 2 222.332 2.196 20 0 BEADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000336691734 386364294 /nfs/dbraw/zinc/36/42/94/386364294.db2.gz BZHXWUMVJPLLGD-ZDUSSCGKSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccoc1 ZINC000336691734 386364299 /nfs/dbraw/zinc/36/42/99/386364299.db2.gz BZHXWUMVJPLLGD-ZDUSSCGKSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccoc1 ZINC000336691734 386364303 /nfs/dbraw/zinc/36/43/03/386364303.db2.gz BZHXWUMVJPLLGD-ZDUSSCGKSA-N 2 2 222.332 2.196 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC1 ZINC000336774740 386365637 /nfs/dbraw/zinc/36/56/37/386365637.db2.gz ZOZUHDKEZYKYOT-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP Cn1c[nH+]cc1CNc1cc(C2CC2)cc[nH+]1 ZINC000289915068 386370036 /nfs/dbraw/zinc/37/00/36/386370036.db2.gz VBPNFKAXOPRSDJ-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccccc1Cl)C1CC1 ZINC000414902895 386326729 /nfs/dbraw/zinc/32/67/29/386326729.db2.gz YTJOFGSIHRZIGA-GFCCVEGCSA-N 2 2 224.735 2.167 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000289589604 386332908 /nfs/dbraw/zinc/33/29/08/386332908.db2.gz ILKJRJWGEIPSIY-ZFWWWQNUSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000289589602 386333142 /nfs/dbraw/zinc/33/31/42/386333142.db2.gz ILKJRJWGEIPSIY-UKRRQHHQSA-N 2 2 248.370 2.337 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC12CCC2)C1CC1 ZINC000336754136 386442488 /nfs/dbraw/zinc/44/24/88/386442488.db2.gz FKHACAKWTGLSJR-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC12CCC2)C1CC1 ZINC000336754136 386442495 /nfs/dbraw/zinc/44/24/95/386442495.db2.gz FKHACAKWTGLSJR-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000094088882 386445343 /nfs/dbraw/zinc/44/53/43/386445343.db2.gz UTXSEFNQFDMZDV-SNVBAGLBSA-N 2 2 244.260 2.157 20 0 BEADLP CC(C)C(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000290522606 386446686 /nfs/dbraw/zinc/44/66/86/386446686.db2.gz ZBBKLEWXCKDULZ-UHFFFAOYSA-N 2 2 249.358 2.135 20 0 BEADLP CC[C@]1(C)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000336701905 386403390 /nfs/dbraw/zinc/40/33/90/386403390.db2.gz MHEPJWBDIBJZEF-CYBMUJFWSA-N 2 2 221.348 2.314 20 0 BEADLP CC[C@]1(C)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000336701905 386403394 /nfs/dbraw/zinc/40/33/94/386403394.db2.gz MHEPJWBDIBJZEF-CYBMUJFWSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1cccnc1[C@H]([NH2+]C[C@@H](C)[NH3+])C(C)C ZINC000442663817 386412220 /nfs/dbraw/zinc/41/22/20/386412220.db2.gz ULOVFJPNOVTQOW-VXGBXAGGSA-N 2 2 221.348 2.024 20 0 BEADLP Cc1cccnc1[C@@H]([NH2+]C[C@H](C)[NH3+])C(C)C ZINC000442663815 386413702 /nfs/dbraw/zinc/41/37/02/386413702.db2.gz ULOVFJPNOVTQOW-RYUDHWBXSA-N 2 2 221.348 2.024 20 0 BEADLP Cc1ccc(CCCN2[C@H](C)C[NH2+]C[C@@H]2C)c[nH+]1 ZINC000339405361 386417688 /nfs/dbraw/zinc/41/76/88/386417688.db2.gz BFWWFCWSZNHEAN-OKILXGFUSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCCN2[C@H](C)C[NH2+]C[C@H]2C)c[nH+]1 ZINC000339405362 386418219 /nfs/dbraw/zinc/41/82/19/386418219.db2.gz BFWWFCWSZNHEAN-ZIAGYGMSSA-N 2 2 247.386 2.005 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339405382 386419402 /nfs/dbraw/zinc/41/94/02/386419402.db2.gz BPWHYVMLSPOUMF-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339405382 386419410 /nfs/dbraw/zinc/41/94/10/386419410.db2.gz BPWHYVMLSPOUMF-CQSZACIVSA-N 2 2 248.370 2.139 20 0 BEADLP CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](C)[NH3+])s1 ZINC000442664578 386419468 /nfs/dbraw/zinc/41/94/68/386419468.db2.gz KGLHAEVJGSMDEE-WCBMZHEXSA-N 2 2 241.404 2.354 20 0 BEADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])s1 ZINC000442664578 386419476 /nfs/dbraw/zinc/41/94/76/386419476.db2.gz KGLHAEVJGSMDEE-WCBMZHEXSA-N 2 2 241.404 2.354 20 0 BEADLP Cc1ccoc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290346495 386423853 /nfs/dbraw/zinc/42/38/53/386423853.db2.gz FUKCDRZCXSZHEF-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Cc1ccoc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290346495 386423858 /nfs/dbraw/zinc/42/38/58/386423858.db2.gz FUKCDRZCXSZHEF-UHFFFAOYSA-N 2 2 233.315 2.307 20 0 BEADLP Cn1cc[nH+]c1CNc1cccc(C2CC2)[nH+]1 ZINC000339430501 386424238 /nfs/dbraw/zinc/42/42/38/386424238.db2.gz YZHWIJBZBHXPNL-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000414762865 386424952 /nfs/dbraw/zinc/42/49/52/386424952.db2.gz LXXUULWSJPZYKN-STQMWFEESA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000414762865 386424958 /nfs/dbraw/zinc/42/49/58/386424958.db2.gz LXXUULWSJPZYKN-STQMWFEESA-N 2 2 242.407 2.107 20 0 BEADLP CC[C@H](CNc1cc[nH+]c(C)n1)[NH+]1CCCC1 ZINC000266374898 386432111 /nfs/dbraw/zinc/43/21/11/386432111.db2.gz MFPWVZVLRIQQQD-GFCCVEGCSA-N 2 2 234.347 2.071 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414910175 386434364 /nfs/dbraw/zinc/43/43/64/386434364.db2.gz CGXNNTJYSKQQAX-WFASDCNBSA-N 2 2 232.371 2.337 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000391182042 386467205 /nfs/dbraw/zinc/46/72/05/386467205.db2.gz KPVGHJOBXZBYAF-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccn1 ZINC000391182042 386467213 /nfs/dbraw/zinc/46/72/13/386467213.db2.gz KPVGHJOBXZBYAF-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC[C@@H]1[NH3+] ZINC000647934687 386482005 /nfs/dbraw/zinc/48/20/05/386482005.db2.gz MQXNLTCJVDJCPY-TUAOUCFPSA-N 2 2 237.347 2.103 20 0 BEADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC[C@@H]1[NH3+] ZINC000647934687 386482008 /nfs/dbraw/zinc/48/20/08/386482008.db2.gz MQXNLTCJVDJCPY-TUAOUCFPSA-N 2 2 237.347 2.103 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000417350794 386489783 /nfs/dbraw/zinc/48/97/83/386489783.db2.gz BGXNVDINJIEFHF-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000414780466 386494459 /nfs/dbraw/zinc/49/44/59/386494459.db2.gz TYCLXSSARRDNPF-LBPRGKRZSA-N 2 2 216.344 2.056 20 0 BEADLP CC(C)CCC[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000414780466 386494464 /nfs/dbraw/zinc/49/44/64/386494464.db2.gz TYCLXSSARRDNPF-LBPRGKRZSA-N 2 2 216.344 2.056 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415013385 386494734 /nfs/dbraw/zinc/49/47/34/386494734.db2.gz UWDHDMULLFCTDT-RKDXNWHRSA-N 2 2 236.290 2.397 20 0 BEADLP COc1ccc2oc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc2c1 ZINC000415019611 386507955 /nfs/dbraw/zinc/50/79/55/386507955.db2.gz SBQBKXAIVYMLFS-ZJUUUORDSA-N 2 2 248.326 2.267 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c[nH+]1 ZINC000415027600 386516354 /nfs/dbraw/zinc/51/63/54/386516354.db2.gz BFYNOOJUHXUYPE-LSDHHAIUSA-N 3 2 247.386 2.040 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336780091 386523607 /nfs/dbraw/zinc/52/36/07/386523607.db2.gz QJQLCVOVQDIEMN-AGIUHOORSA-N 2 2 244.448 2.448 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336780091 386523613 /nfs/dbraw/zinc/52/36/13/386523613.db2.gz QJQLCVOVQDIEMN-AGIUHOORSA-N 2 2 244.448 2.448 20 0 BEADLP COCc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415038902 386527267 /nfs/dbraw/zinc/52/72/67/386527267.db2.gz MIAAQAYKOQWEGA-CQSZACIVSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)[NH+](C)C ZINC000278753069 386577714 /nfs/dbraw/zinc/57/77/14/386577714.db2.gz NYZOMKINEMOUNM-WFASDCNBSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1OCC[C@@H]1[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797085 386579494 /nfs/dbraw/zinc/57/94/94/386579494.db2.gz ARKPLAXWZCUVTN-JSGCOSHPSA-N 2 2 240.391 2.066 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414800820 386588614 /nfs/dbraw/zinc/58/86/14/386588614.db2.gz ITLAXBUAEKUIFV-UHFFFAOYSA-N 2 2 230.714 2.306 20 0 BEADLP CC[C@](C)(C[NH2+]CCCCn1cc[nH+]c1)OC ZINC000318928631 386589020 /nfs/dbraw/zinc/58/90/20/386589020.db2.gz FCWOGPGSAVNZDM-CYBMUJFWSA-N 2 2 239.363 2.068 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cccc(Cl)c1F ZINC000414799253 386589880 /nfs/dbraw/zinc/58/98/80/386589880.db2.gz GHYKMAZVGGKLAA-UHFFFAOYSA-N 2 2 230.714 2.306 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCOC(C)(C)CC)[C@@H](C)C1 ZINC000453405125 386592615 /nfs/dbraw/zinc/59/26/15/386592615.db2.gz JFSQBOUCTQWHAP-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CCOC(C)(C)CC)[C@@H](C)C1 ZINC000453405125 386592623 /nfs/dbraw/zinc/59/26/23/386592623.db2.gz JFSQBOUCTQWHAP-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415047227 386534009 /nfs/dbraw/zinc/53/40/09/386534009.db2.gz VTUSLPUXXFLGSB-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415047226 386534498 /nfs/dbraw/zinc/53/44/98/386534498.db2.gz VTUSLPUXXFLGSB-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@@H]1C[C@H]1C ZINC000415063196 386544482 /nfs/dbraw/zinc/54/44/82/386544482.db2.gz HBMWZWFSGLPMCL-OSAQELSMSA-N 2 2 232.371 2.494 20 0 BEADLP Cc1csc(C[NH2+][C@@H](C[NH3+])C2CCCC2)n1 ZINC000415067405 386547502 /nfs/dbraw/zinc/54/75/02/386547502.db2.gz PBNTVRYOFWVCFG-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415065363 386549100 /nfs/dbraw/zinc/54/91/00/386549100.db2.gz FWDOBGFBVRGXQG-AWEZNQCLSA-N 2 2 236.334 2.366 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415069181 386551934 /nfs/dbraw/zinc/55/19/34/386551934.db2.gz OGSRAAUWAUBRFD-HNNXBMFYSA-N 2 2 232.371 2.481 20 0 BEADLP CC(C)(C)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291496534 386552375 /nfs/dbraw/zinc/55/23/75/386552375.db2.gz GZLVFVCQKXWHSU-UHFFFAOYSA-N 2 2 207.321 2.135 20 0 BEADLP CC(C)(C)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000291496534 386552382 /nfs/dbraw/zinc/55/23/82/386552382.db2.gz GZLVFVCQKXWHSU-UHFFFAOYSA-N 2 2 207.321 2.135 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336756747 386571212 /nfs/dbraw/zinc/57/12/12/386571212.db2.gz JSRKQGWMVSGDIT-VOAKCMCISA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336756747 386571215 /nfs/dbraw/zinc/57/12/15/386571215.db2.gz JSRKQGWMVSGDIT-VOAKCMCISA-N 2 2 210.365 2.247 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335496940 386621568 /nfs/dbraw/zinc/62/15/68/386621568.db2.gz VETMNAXIOPHSTG-GXTWGEPZSA-N 2 2 233.359 2.183 20 0 BEADLP CCc1cccc(F)c1C[NH2+]CC(C)(C)[NH3+] ZINC000414808788 386623642 /nfs/dbraw/zinc/62/36/42/386623642.db2.gz TWTKZIMRNVEHTG-UHFFFAOYSA-N 2 2 224.323 2.215 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)CCCO2 ZINC000335498409 386623900 /nfs/dbraw/zinc/62/39/00/386623900.db2.gz LZWHKBMZKYIFAY-OCCSQVGLSA-N 2 2 246.354 2.160 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000335498000 386623960 /nfs/dbraw/zinc/62/39/60/386623960.db2.gz CMBORTYHDOZRRF-ZJUUUORDSA-N 2 2 210.346 2.069 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1sccc1Cl ZINC000414809204 386626657 /nfs/dbraw/zinc/62/66/57/386626657.db2.gz UYLWKCSUUFKAPT-UHFFFAOYSA-N 2 2 218.753 2.228 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(O)cc(F)c1 ZINC000414811087 386634357 /nfs/dbraw/zinc/63/43/57/386634357.db2.gz IUDXREJTCCGLPI-LBPRGKRZSA-N 2 2 240.322 2.138 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)c1ccncc1F)C[NH+](C)C ZINC000340390514 386646628 /nfs/dbraw/zinc/64/66/28/386646628.db2.gz PNYOFWMPVKMQIV-MNOVXSKESA-N 2 2 239.338 2.069 20 0 BEADLP C[C@H](C[NH2+][C@H](C)c1ccncc1F)C[NH+](C)C ZINC000340390512 386647682 /nfs/dbraw/zinc/64/76/82/386647682.db2.gz PNYOFWMPVKMQIV-GHMZBOCLSA-N 2 2 239.338 2.069 20 0 BEADLP c1cc(C[NH2+]CC[NH2+]C2CCCCCC2)ccn1 ZINC000414807389 386618026 /nfs/dbraw/zinc/61/80/26/386618026.db2.gz OAUNVZUXTSOTOW-UHFFFAOYSA-N 2 2 247.386 2.484 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(C)s1 ZINC000414819708 386660557 /nfs/dbraw/zinc/66/05/57/386660557.db2.gz ZJZCHNNYEXEFLM-SNVBAGLBSA-N 2 2 227.377 2.059 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820358 386664423 /nfs/dbraw/zinc/66/44/23/386664423.db2.gz AOBWHEWOOOUENN-YOIVXCQUSA-N 2 2 216.328 2.041 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnn(C(C)C)c1 ZINC000414818753 386666814 /nfs/dbraw/zinc/66/68/14/386666814.db2.gz WMKXJJLAIQSUBH-ZDUSSCGKSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1OC ZINC000414816585 386658010 /nfs/dbraw/zinc/65/80/10/386658010.db2.gz QDKBBYRMYFAZHZ-ZDUSSCGKSA-N 2 2 236.359 2.302 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414928223 386709386 /nfs/dbraw/zinc/70/93/86/386709386.db2.gz MAJQXLRMQHLKFG-MRVPVSSYSA-N 2 2 222.263 2.009 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830807 386711104 /nfs/dbraw/zinc/71/11/04/386711104.db2.gz BPBSHKRVLXPCHA-AWEZNQCLSA-N 2 2 247.386 2.387 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000049961728 386685841 /nfs/dbraw/zinc/68/58/41/386685841.db2.gz QZVLMWLPAZXRPO-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000049961728 386685847 /nfs/dbraw/zinc/68/58/47/386685847.db2.gz QZVLMWLPAZXRPO-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC1 ZINC000414827688 386692972 /nfs/dbraw/zinc/69/29/72/386692972.db2.gz HODQITRIMSXFMP-BXUZGUMPSA-N 2 2 218.344 2.465 20 0 BEADLP [NH3+][C@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000414828001 386699346 /nfs/dbraw/zinc/69/93/46/386699346.db2.gz IEKOMMHSQAJJHF-CHWSQXEVSA-N 2 2 236.384 2.172 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000414829036 386702634 /nfs/dbraw/zinc/70/26/34/386702634.db2.gz AFKGMZDLUHUQHB-MRVPVSSYSA-N 2 2 246.276 2.049 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324760 386703681 /nfs/dbraw/zinc/70/36/81/386703681.db2.gz QJWZSBUCLLZAOA-DZGCQCFKSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043327154 386706409 /nfs/dbraw/zinc/70/64/09/386706409.db2.gz QQDJKGQCUGVKDF-GXTWGEPZSA-N 2 2 218.344 2.398 20 0 BEADLP CCSc1cccc(C[NH2+]CC[NH2+]C)c1 ZINC000414834426 386724392 /nfs/dbraw/zinc/72/43/92/386724392.db2.gz UBOWZVWLCLHJAN-UHFFFAOYSA-N 2 2 224.373 2.108 20 0 BEADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC1 ZINC000322298961 386746190 /nfs/dbraw/zinc/74/61/90/386746190.db2.gz AOYRPKNKOUWWPA-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000414930786 386755459 /nfs/dbraw/zinc/75/54/59/386755459.db2.gz PGVYYHFRZPWUKL-MFKMUULPSA-N 2 2 238.400 2.398 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839310 386741216 /nfs/dbraw/zinc/74/12/16/386741216.db2.gz VYQOOWUMTRCRPP-MRVWCRGKSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]CC[NH+]1CCCC1 ZINC000394991546 386791022 /nfs/dbraw/zinc/79/10/22/386791022.db2.gz MPTYLNBZYKKHQT-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)o1 ZINC000639396927 386792840 /nfs/dbraw/zinc/79/28/40/386792840.db2.gz MARIWQBHMSIWMB-HNNXBMFYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)o1 ZINC000639396927 386792847 /nfs/dbraw/zinc/79/28/47/386792847.db2.gz MARIWQBHMSIWMB-HNNXBMFYSA-N 2 2 248.370 2.368 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C\c1ccccc1 ZINC000336671717 386821434 /nfs/dbraw/zinc/82/14/34/386821434.db2.gz HDHCQIBYRPBWSY-SZNGSJQDSA-N 2 2 218.344 2.240 20 0 BEADLP c1cnc2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2c1 ZINC000414847102 386832242 /nfs/dbraw/zinc/83/22/42/386832242.db2.gz OFGHSOXWYSQVDN-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000414847180 386832927 /nfs/dbraw/zinc/83/29/27/386832927.db2.gz OLLVERTYBPXRAJ-LBPRGKRZSA-N 2 2 238.762 2.490 20 0 BEADLP CC(C)C[C@H](C)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349293030 386843946 /nfs/dbraw/zinc/84/39/46/386843946.db2.gz DEXQASICMFDGKM-ZDUSSCGKSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)C[C@H](C)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349293030 386843948 /nfs/dbraw/zinc/84/39/48/386843948.db2.gz DEXQASICMFDGKM-ZDUSSCGKSA-N 2 2 224.392 2.449 20 0 BEADLP C(C1CCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000334833969 386872446 /nfs/dbraw/zinc/87/24/46/386872446.db2.gz KMPLHBRXEDRZSC-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000334833969 386872453 /nfs/dbraw/zinc/87/24/53/386872453.db2.gz KMPLHBRXEDRZSC-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835406 386876600 /nfs/dbraw/zinc/87/66/00/386876600.db2.gz HXLLJLDLYVMNDL-WCQYABFASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000334835406 386876605 /nfs/dbraw/zinc/87/66/05/386876605.db2.gz HXLLJLDLYVMNDL-WCQYABFASA-N 2 2 222.376 2.249 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414941663 386887248 /nfs/dbraw/zinc/88/72/48/386887248.db2.gz YTHSGBQWPHYPJK-SWLSCSKDSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414941031 386889744 /nfs/dbraw/zinc/88/97/44/386889744.db2.gz YDRVSALSVJGJEW-RISCZKNCSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000334861780 386915342 /nfs/dbraw/zinc/91/53/42/386915342.db2.gz DKTHRCLJOUVHAE-CABZTGNLSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H]1C[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335770866 386917624 /nfs/dbraw/zinc/91/76/24/386917624.db2.gz ZPGOQINHMILJLX-JQWIXIFHSA-N 2 2 219.332 2.245 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358168182 386905754 /nfs/dbraw/zinc/90/57/54/386905754.db2.gz ZQRNBJLTSCFVOH-HIFRSBDPSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358168182 386905757 /nfs/dbraw/zinc/90/57/57/386905757.db2.gz ZQRNBJLTSCFVOH-HIFRSBDPSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000334861272 386912519 /nfs/dbraw/zinc/91/25/19/386912519.db2.gz CLUNVTRREPCWKD-BXKDBHETSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CC[NH2+]1 ZINC000334867042 386924256 /nfs/dbraw/zinc/92/42/56/386924256.db2.gz ZFSXFBGBKKRUJQ-ZJUUUORDSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CC[NH2+]1 ZINC000334867041 386924373 /nfs/dbraw/zinc/92/43/73/386924373.db2.gz ZFSXFBGBKKRUJQ-VHSXEESVSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000334872290 386933034 /nfs/dbraw/zinc/93/30/34/386933034.db2.gz CWOKVYSYESZTBS-CYBMUJFWSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000336763049 386936830 /nfs/dbraw/zinc/93/68/30/386936830.db2.gz OULGMYUAPDSJBD-MNOVXSKESA-N 2 2 230.421 2.058 20 0 BEADLP c1cn(CCC[N@@H+]2C[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000368073946 386937855 /nfs/dbraw/zinc/93/78/55/386937855.db2.gz TZTYIMTVTLMXDS-CHWSQXEVSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2C[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000368073946 386937864 /nfs/dbraw/zinc/93/78/64/386937864.db2.gz TZTYIMTVTLMXDS-CHWSQXEVSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[NH+]2CCC(C3CC3)CC2)c[nH+]1 ZINC000368330566 386961430 /nfs/dbraw/zinc/96/14/30/386961430.db2.gz MFQHCCRKOIPGRX-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000126818463 387059813 /nfs/dbraw/zinc/05/98/13/387059813.db2.gz NXTFQYOMJFYCBF-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000126818463 387059820 /nfs/dbraw/zinc/05/98/20/387059820.db2.gz NXTFQYOMJFYCBF-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP F[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000336222825 387061170 /nfs/dbraw/zinc/06/11/70/387061170.db2.gz OIBQLGVLZGKHAC-ZDUSSCGKSA-N 2 2 245.301 2.416 20 0 BEADLP F[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000336222825 387061174 /nfs/dbraw/zinc/06/11/74/387061174.db2.gz OIBQLGVLZGKHAC-ZDUSSCGKSA-N 2 2 245.301 2.416 20 0 BEADLP CC(C)c1nc(NCC2CC[NH+](C)CC2)cc[nH+]1 ZINC000110472318 387064693 /nfs/dbraw/zinc/06/46/93/387064693.db2.gz AURLUJIUKPNSTG-UHFFFAOYSA-N 2 2 248.374 2.354 20 0 BEADLP C[NH+](C)[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000267319695 387019492 /nfs/dbraw/zinc/01/94/92/387019492.db2.gz YQOKQFCVGSRWAG-RYUDHWBXSA-N 2 2 219.332 2.366 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)[nH]1 ZINC000334880672 387023534 /nfs/dbraw/zinc/02/35/34/387023534.db2.gz PYQBNASNYMJRQT-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)[nH]1 ZINC000334880672 387023536 /nfs/dbraw/zinc/02/35/36/387023536.db2.gz PYQBNASNYMJRQT-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP Cc1ccc(CCC[NH2+]Cc2ccno2)c[nH+]1 ZINC000648023537 387027996 /nfs/dbraw/zinc/02/79/96/387027996.db2.gz LINVKXKYAZVSHQ-UHFFFAOYSA-N 2 2 231.299 2.100 20 0 BEADLP Cc1nc(N[C@H](C)C[NH+]2CCCCCC2)cc[nH+]1 ZINC000185963769 387070206 /nfs/dbraw/zinc/07/02/06/387070206.db2.gz ODKRLAVNXMDIJY-GFCCVEGCSA-N 2 2 248.374 2.461 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000111380972 387076988 /nfs/dbraw/zinc/07/69/88/387076988.db2.gz RXOCPNXBBGUSTP-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000111380972 387076992 /nfs/dbraw/zinc/07/69/92/387076992.db2.gz RXOCPNXBBGUSTP-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000228294962 387085028 /nfs/dbraw/zinc/08/50/28/387085028.db2.gz LHHNIGNUTDOLGM-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000228294962 387085033 /nfs/dbraw/zinc/08/50/33/387085033.db2.gz LHHNIGNUTDOLGM-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)nc1 ZINC000370131071 387088718 /nfs/dbraw/zinc/08/87/18/387088718.db2.gz JHYWUENCCQSMOS-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1nccs1 ZINC000070733458 387090689 /nfs/dbraw/zinc/09/06/89/387090689.db2.gz ZEIKLGWDURLBIL-JTQLQIEISA-N 2 2 239.388 2.455 20 0 BEADLP Fc1cccc(F)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000228407084 387092612 /nfs/dbraw/zinc/09/26/12/387092612.db2.gz ZOJMIBWHDOSBKX-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CCCC2)C[N@@H+]1C1CC1 ZINC000129877492 387101219 /nfs/dbraw/zinc/10/12/19/387101219.db2.gz XIHCUNFTCYWUIB-ZYHUDNBSSA-N 2 2 208.349 2.144 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CCCC2)C[N@H+]1C1CC1 ZINC000129877492 387101222 /nfs/dbraw/zinc/10/12/22/387101222.db2.gz XIHCUNFTCYWUIB-ZYHUDNBSSA-N 2 2 208.349 2.144 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000423298856 387129569 /nfs/dbraw/zinc/12/95/69/387129569.db2.gz OZPONGSRSZRMIS-VHSXEESVSA-N 2 2 227.377 2.311 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423306334 387141445 /nfs/dbraw/zinc/14/14/45/387141445.db2.gz DLZORDVRPLVPEH-ZDUSSCGKSA-N 2 2 249.402 2.403 20 0 BEADLP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)ccc1F ZINC000423309081 387145357 /nfs/dbraw/zinc/14/53/57/387145357.db2.gz YTPDMSHRPUMTPI-CYBMUJFWSA-N 2 2 240.297 2.225 20 0 BEADLP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)ccc1F ZINC000423309082 387145605 /nfs/dbraw/zinc/14/56/05/387145605.db2.gz YTPDMSHRPUMTPI-ZDUSSCGKSA-N 2 2 240.297 2.225 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc[nH]c1)CCC2 ZINC000371133222 387149735 /nfs/dbraw/zinc/14/97/35/387149735.db2.gz JAROZMNYZORVDF-CYBMUJFWSA-N 2 2 244.342 2.187 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423314384 387154101 /nfs/dbraw/zinc/15/41/01/387154101.db2.gz GXLUWDZIDTTXFJ-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423314981 387154157 /nfs/dbraw/zinc/15/41/57/387154157.db2.gz XBMKBNOWCFAWGE-LBPRGKRZSA-N 2 2 221.348 2.040 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]CCOC)C1CCCC1 ZINC000423317390 387156578 /nfs/dbraw/zinc/15/65/78/387156578.db2.gz AXVVUQWSQNJILF-AWEZNQCLSA-N 2 2 242.407 2.171 20 0 BEADLP c1cn(CCC[N@@H+]2CCCC3(CC3)C2)c[nH+]1 ZINC000186960575 387156907 /nfs/dbraw/zinc/15/69/07/387156907.db2.gz VRDMGEOAEGGMFN-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP c1cn(CCC[N@H+]2CCCC3(CC3)C2)c[nH+]1 ZINC000186960575 387156911 /nfs/dbraw/zinc/15/69/11/387156911.db2.gz VRDMGEOAEGGMFN-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130041 387159466 /nfs/dbraw/zinc/15/94/66/387159466.db2.gz UDHRSEZGBDALHC-STQMWFEESA-N 2 2 224.392 2.449 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130041 387159470 /nfs/dbraw/zinc/15/94/70/387159470.db2.gz UDHRSEZGBDALHC-STQMWFEESA-N 2 2 224.392 2.449 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)o1 ZINC000423318505 387159711 /nfs/dbraw/zinc/15/97/11/387159711.db2.gz LEVAMMWHPVKJDN-RNCFNFMXSA-N 2 2 222.332 2.284 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(F)c1F ZINC000423321129 387162393 /nfs/dbraw/zinc/16/23/93/387162393.db2.gz MUBSXLDCMJEWTQ-QPUJVOFHSA-N 2 2 240.297 2.353 20 0 BEADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[NH2+]CCOC ZINC000423319805 387163005 /nfs/dbraw/zinc/16/30/05/387163005.db2.gz DBVUTZZHXMZGAK-BFHYXJOUSA-N 2 2 242.407 2.027 20 0 BEADLP CCC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccn1 ZINC000423321327 387163893 /nfs/dbraw/zinc/16/38/93/387163893.db2.gz HDAQGDIHFISGOT-LBPRGKRZSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423328338 387171005 /nfs/dbraw/zinc/17/10/05/387171005.db2.gz NZEJGGLTTQYNCD-MNOVXSKESA-N 2 2 229.327 2.233 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)CCC(C)(C)C ZINC000423327260 387171080 /nfs/dbraw/zinc/17/10/80/387171080.db2.gz JYHYAPFUMLTJCN-GFCCVEGCSA-N 2 2 230.396 2.027 20 0 BEADLP Cc1ccc(CCC[NH+]2CCC(CO)CC2)c[nH+]1 ZINC000353366664 387190641 /nfs/dbraw/zinc/19/06/41/387190641.db2.gz ZFZPXTFBIXZWTN-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)o1 ZINC000423341829 387190880 /nfs/dbraw/zinc/19/08/80/387190880.db2.gz YCDGOBYXRJYCAP-SNVBAGLBSA-N 2 2 208.305 2.120 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1C(F)(F)F ZINC000162015812 387138979 /nfs/dbraw/zinc/13/89/79/387138979.db2.gz CIMYDMQHWKKQRW-QMMMGPOBSA-N 2 2 232.249 2.142 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2occc21 ZINC000423374113 387202721 /nfs/dbraw/zinc/20/27/21/387202721.db2.gz HTKIVPMGZBLOKU-PWSUYJOCSA-N 2 2 222.332 2.245 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000423355257 387205380 /nfs/dbraw/zinc/20/53/80/387205380.db2.gz FCEJMWYOGYQBKB-DFBGVHRSSA-N 2 2 230.355 2.262 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423354958 387205540 /nfs/dbraw/zinc/20/55/40/387205540.db2.gz DIPIKEGEBZQSHC-TYNCELHUSA-N 2 2 248.370 2.344 20 0 BEADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356515 387208701 /nfs/dbraw/zinc/20/87/01/387208701.db2.gz KBFGXGKOEAQEKU-NWANDNLSSA-N 2 2 248.370 2.104 20 0 BEADLP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)C[NH3+])CCC2 ZINC000423358556 387210036 /nfs/dbraw/zinc/21/00/36/387210036.db2.gz BQZWONDSYVMFHK-IUCAKERBSA-N 2 2 239.388 2.020 20 0 BEADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)C[NH3+])CCCO2 ZINC000423359966 387213216 /nfs/dbraw/zinc/21/32/16/387213216.db2.gz DVNHBJJWPKVYIL-JSGCOSHPSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423367473 387217729 /nfs/dbraw/zinc/21/77/29/387217729.db2.gz MMLGVIIMUBAOBN-ONGXEEELSA-N 2 2 222.332 2.230 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423365113 387219356 /nfs/dbraw/zinc/21/93/56/387219356.db2.gz PFGXDUZJCWUSBV-TYNCELHUSA-N 2 2 248.370 2.344 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423374374 387254035 /nfs/dbraw/zinc/25/40/35/387254035.db2.gz STAKSLXPJYIOHT-WDEREUQCSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1Cl ZINC000423368900 387220988 /nfs/dbraw/zinc/22/09/88/387220988.db2.gz NYPYROCPFZGMPL-JGVFFNPUSA-N 2 2 230.714 2.477 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423367896 387221995 /nfs/dbraw/zinc/22/19/95/387221995.db2.gz ATQZIYVFWZSZCI-OCCSQVGLSA-N 2 2 235.375 2.366 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)c(Cl)c1 ZINC000423371974 387225982 /nfs/dbraw/zinc/22/59/82/387225982.db2.gz QREGDJYKCRBXFO-JGVFFNPUSA-N 2 2 230.714 2.477 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cnccc1C ZINC000423371806 387226832 /nfs/dbraw/zinc/22/68/32/387226832.db2.gz FUKKIJTYKLQMOA-NEPJUHHUSA-N 2 2 221.348 2.039 20 0 BEADLP c1ccc2c(C[NH2+]C[C@@H]3CCC[NH2+]3)ccnc2c1 ZINC000572100812 387231856 /nfs/dbraw/zinc/23/18/56/387231856.db2.gz GGLFYXGEBIPJJO-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP c1ccc2c(C[NH2+]C[C@H]3CCC[NH2+]3)ccnc2c1 ZINC000572100811 387232232 /nfs/dbraw/zinc/23/22/32/387232232.db2.gz GGLFYXGEBIPJJO-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423402054 387238247 /nfs/dbraw/zinc/23/82/47/387238247.db2.gz YECRTUHUHAXDJQ-ABAIWWIYSA-N 2 2 248.370 2.357 20 0 BEADLP Cc1ccc(CCC[NH+]2CCC(C)(O)CC2)c[nH+]1 ZINC000353624638 387243136 /nfs/dbraw/zinc/24/31/36/387243136.db2.gz NJXBUAWASJBQGA-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1Cl ZINC000423422089 387250890 /nfs/dbraw/zinc/25/08/90/387250890.db2.gz CRTOKLCQTSQURF-GOONRYMUSA-N 2 2 236.746 2.208 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423379330 387258918 /nfs/dbraw/zinc/25/89/18/387258918.db2.gz XEXDYGMXZWEACC-QPUJVOFHSA-N 2 2 228.286 2.353 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccs1 ZINC000423379967 387261904 /nfs/dbraw/zinc/26/19/04/387261904.db2.gz MJIORTQYXBKIQA-ZJUUUORDSA-N 2 2 212.362 2.397 20 0 BEADLP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)on1 ZINC000336436195 387263752 /nfs/dbraw/zinc/26/37/52/387263752.db2.gz UYJPLQLZAUCPBR-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)on1 ZINC000336436195 387263755 /nfs/dbraw/zinc/26/37/55/387263755.db2.gz UYJPLQLZAUCPBR-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000336436195 387263761 /nfs/dbraw/zinc/26/37/61/387263761.db2.gz UYJPLQLZAUCPBR-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)on1 ZINC000336436195 387263764 /nfs/dbraw/zinc/26/37/64/387263764.db2.gz UYJPLQLZAUCPBR-FUNVUKJBSA-N 2 2 249.358 2.040 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1C[C@@H]1C ZINC000321504921 387268464 /nfs/dbraw/zinc/26/84/64/387268464.db2.gz HIEUOIKIUMXIRG-MJBXVCDLSA-N 2 2 224.392 2.352 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC000423394062 387277947 /nfs/dbraw/zinc/27/79/47/387277947.db2.gz ZKEWIHAHUOQIQF-NEPJUHHUSA-N 2 2 206.333 2.335 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sccc1OC ZINC000423394708 387281154 /nfs/dbraw/zinc/28/11/54/387281154.db2.gz ZYZRIASELZXAPR-ZJUUUORDSA-N 2 2 242.388 2.405 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000423440596 387290834 /nfs/dbraw/zinc/29/08/34/387290834.db2.gz ASJOWFAAKJCQPH-MWLCHTKSSA-N 2 2 210.321 2.284 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423451813 387300521 /nfs/dbraw/zinc/30/05/21/387300521.db2.gz VLGHSABKAOYBDJ-HLTSFMKQSA-N 2 2 228.361 2.143 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1sccc1OC ZINC000423458747 387307159 /nfs/dbraw/zinc/30/71/59/387307159.db2.gz HEWYGTYLOFOKJG-BDAKNGLRSA-N 2 2 228.361 2.145 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501754 387354486 /nfs/dbraw/zinc/35/44/86/387354486.db2.gz PHKBGHHAONKCNC-QWHCGFSZSA-N 2 2 233.359 2.183 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502120 387356634 /nfs/dbraw/zinc/35/66/34/387356634.db2.gz XPDXETRAQIAVGM-JSGCOSHPSA-N 2 2 247.386 2.437 20 0 BEADLP CC[C@@H]([NH2+]Cc1cc(C)nc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423543414 387367862 /nfs/dbraw/zinc/36/78/62/387367862.db2.gz HGCGPWSBAATZJJ-CABCVRRESA-N 2 2 247.386 2.319 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000423542849 387367880 /nfs/dbraw/zinc/36/78/80/387367880.db2.gz BEHPNFZMJUSLID-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000423542852 387368936 /nfs/dbraw/zinc/36/89/36/387368936.db2.gz BEHPNFZMJUSLID-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556894 387375890 /nfs/dbraw/zinc/37/58/90/387375890.db2.gz MXQVUYQKTRXDEY-STQMWFEESA-N 2 2 248.370 2.488 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000515432281 387379253 /nfs/dbraw/zinc/37/92/53/387379253.db2.gz BFAZGNYRZILQGM-UHFFFAOYSA-N 2 2 222.307 2.008 20 0 BEADLP Cc1cc(N)cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423476624 387324060 /nfs/dbraw/zinc/32/40/60/387324060.db2.gz KRQYGXOZEKJRDL-IUODEOHRSA-N 2 2 247.386 2.197 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000336501072 387327518 /nfs/dbraw/zinc/32/75/18/387327518.db2.gz OJAOFZHUAVLAHZ-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000336501072 387327521 /nfs/dbraw/zinc/32/75/21/387327521.db2.gz OJAOFZHUAVLAHZ-MFKMUULPSA-N 2 2 222.307 2.310 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423484823 387330938 /nfs/dbraw/zinc/33/09/38/387330938.db2.gz YXTJOWAZFQMBCB-PSASIEDQSA-N 2 2 228.286 2.353 20 0 BEADLP COC[C@@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354156731 387339167 /nfs/dbraw/zinc/33/91/67/387339167.db2.gz BNPNBEBEDATHJX-LBPRGKRZSA-N 2 2 236.359 2.195 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000309805229 387343661 /nfs/dbraw/zinc/34/36/61/387343661.db2.gz RZQZBFHRVDTBAH-CMPLNLGQSA-N 2 2 220.360 2.144 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000309805229 387343666 /nfs/dbraw/zinc/34/36/66/387343666.db2.gz RZQZBFHRVDTBAH-CMPLNLGQSA-N 2 2 220.360 2.144 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000515171274 387343644 /nfs/dbraw/zinc/34/36/44/387343644.db2.gz NCPYTFIAQIOCFZ-YPMHNXCESA-N 2 2 248.374 2.234 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000515171274 387343650 /nfs/dbraw/zinc/34/36/50/387343650.db2.gz NCPYTFIAQIOCFZ-YPMHNXCESA-N 2 2 248.374 2.234 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000373234418 387348828 /nfs/dbraw/zinc/34/88/28/387348828.db2.gz YIWRUHVCVFKJHY-GFCCVEGCSA-N 2 2 245.326 2.393 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000373234418 387348833 /nfs/dbraw/zinc/34/88/33/387348833.db2.gz YIWRUHVCVFKJHY-GFCCVEGCSA-N 2 2 245.326 2.393 20 0 BEADLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1F ZINC000572378178 387352720 /nfs/dbraw/zinc/35/27/20/387352720.db2.gz ZVWJPYFIRPUXKV-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccoc1 ZINC000643501881 387354030 /nfs/dbraw/zinc/35/40/30/387354030.db2.gz RUCVFKSZKZFYSW-PWSUYJOCSA-N 2 2 208.305 2.072 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCOC1 ZINC000361250234 387425037 /nfs/dbraw/zinc/42/50/37/387425037.db2.gz JMWWSOXUEJXWDA-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCOC1 ZINC000361250234 387425043 /nfs/dbraw/zinc/42/50/43/387425043.db2.gz JMWWSOXUEJXWDA-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@]2(C)CCCO2)c[nH+]1 ZINC000354498935 387385704 /nfs/dbraw/zinc/38/57/04/387385704.db2.gz KACZHTVYQYIDOP-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000361005708 387386168 /nfs/dbraw/zinc/38/61/68/387386168.db2.gz WQAOABSCDNDAID-XJKSGUPXSA-N 2 2 244.382 2.412 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000361005708 387386170 /nfs/dbraw/zinc/38/61/70/387386170.db2.gz WQAOABSCDNDAID-XJKSGUPXSA-N 2 2 244.382 2.412 20 0 BEADLP CC[C@](C)(CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354561302 387396372 /nfs/dbraw/zinc/39/63/72/387396372.db2.gz BEZXEPYTJNCPIB-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP COc1cccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506457 387460243 /nfs/dbraw/zinc/46/02/43/387460243.db2.gz XRILVZXAAALJTD-NSHDSACASA-N 2 2 234.343 2.098 20 0 BEADLP Cc1ccc(CCC[NH2+][C@]2(C)CCO[C@H]2C)c[nH+]1 ZINC000354630719 387406569 /nfs/dbraw/zinc/40/65/69/387406569.db2.gz DCMODQSFXWCAIW-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352812076 387506030 /nfs/dbraw/zinc/50/60/30/387506030.db2.gz YMXVKNIWTUOQPB-LALPHHSUSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352812076 387506033 /nfs/dbraw/zinc/50/60/33/387506033.db2.gz YMXVKNIWTUOQPB-LALPHHSUSA-N 2 2 248.370 2.283 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@H]3C[C@H]3C)cn21 ZINC000648078926 387508850 /nfs/dbraw/zinc/50/88/50/387508850.db2.gz YLJQYFZAROLYFO-DGCLKSJQSA-N 2 2 243.354 2.431 20 0 BEADLP c1ccc2c(C[N@@H+]3CCC[NH2+]CC3)ccnc2c1 ZINC000104386602 387515089 /nfs/dbraw/zinc/51/50/89/387515089.db2.gz ATUGCURPFFSDFZ-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1ccc2c(C[N@H+]3CCC[NH2+]CC3)ccnc2c1 ZINC000104386602 387515091 /nfs/dbraw/zinc/51/50/91/387515091.db2.gz ATUGCURPFFSDFZ-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000324800508 387524492 /nfs/dbraw/zinc/52/44/92/387524492.db2.gz PBVRZZINHDZJEM-AWEZNQCLSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(F)CC1 ZINC000527220173 387535284 /nfs/dbraw/zinc/53/52/84/387535284.db2.gz FUNFWDXEJJUQEY-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(F)CC1 ZINC000527220173 387535285 /nfs/dbraw/zinc/53/52/85/387535285.db2.gz FUNFWDXEJJUQEY-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(F)CC1 ZINC000527220173 387535288 /nfs/dbraw/zinc/53/52/88/387535288.db2.gz FUNFWDXEJJUQEY-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(F)CC1 ZINC000527220173 387535291 /nfs/dbraw/zinc/53/52/91/387535291.db2.gz FUNFWDXEJJUQEY-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C(C)(C)C ZINC000122476109 387535496 /nfs/dbraw/zinc/53/54/96/387535496.db2.gz CYXIGMPGBPFLET-WCQYABFASA-N 2 2 244.448 2.448 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396705137 387482908 /nfs/dbraw/zinc/48/29/08/387482908.db2.gz OHJXZJAGYQMIBQ-DOMZBBRYSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@H](O)C(C)(C)C2)c[nH+]1 ZINC000355129285 387485172 /nfs/dbraw/zinc/48/51/72/387485172.db2.gz WMXZGTDEUHWKKJ-AWEZNQCLSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@H](O)C(C)(C)C2)c[nH+]1 ZINC000355129285 387485177 /nfs/dbraw/zinc/48/51/77/387485177.db2.gz WMXZGTDEUHWKKJ-AWEZNQCLSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1occc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000643472275 387485439 /nfs/dbraw/zinc/48/54/39/387485439.db2.gz PZUMPIBRKGBXEV-VIFPVBQESA-N 2 2 231.299 2.246 20 0 BEADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507463 387487004 /nfs/dbraw/zinc/48/70/04/387487004.db2.gz FOZILMKBCJJFOL-HNNXBMFYSA-N 2 2 245.370 2.275 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+](C)C1CC1 ZINC000122195941 387489910 /nfs/dbraw/zinc/48/99/10/387489910.db2.gz QKCLWWLTCVUZEY-CHWSQXEVSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+](C)C1CC1 ZINC000122195941 387489915 /nfs/dbraw/zinc/48/99/15/387489915.db2.gz QKCLWWLTCVUZEY-CHWSQXEVSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000304557893 387492593 /nfs/dbraw/zinc/49/25/93/387492593.db2.gz VKNWLFOXISCDAC-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000643511207 387592605 /nfs/dbraw/zinc/59/26/05/387592605.db2.gz QAINGAXJOWVZLV-GXSJLCMTSA-N 2 2 241.404 2.476 20 0 BEADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc(C2CC2)c1 ZINC000422554015 387597803 /nfs/dbraw/zinc/59/78/03/387597803.db2.gz LHWFLXRRPLWTIY-AWEZNQCLSA-N 2 2 216.328 2.016 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccoc1 ZINC000643513672 387597787 /nfs/dbraw/zinc/59/77/87/387597787.db2.gz YNFSPVNUTQCDHL-SNVBAGLBSA-N 2 2 210.321 2.448 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c(C)s1 ZINC000643516373 387623941 /nfs/dbraw/zinc/62/39/41/387623941.db2.gz MJEFAGCXEICLEA-HQJQHLMTSA-N 2 2 239.388 2.148 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430546697 387627622 /nfs/dbraw/zinc/62/76/22/387627622.db2.gz JUHOWVDDBSWYPG-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430546697 387627626 /nfs/dbraw/zinc/62/76/26/387627626.db2.gz JUHOWVDDBSWYPG-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCF)n1-c1ccccc1 ZINC000280833857 387571802 /nfs/dbraw/zinc/57/18/02/387571802.db2.gz XIRHNRGCUQEACZ-UHFFFAOYSA-N 2 2 233.290 2.240 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527630156 387641478 /nfs/dbraw/zinc/64/14/78/387641478.db2.gz XJIMDMPQVPHDRC-UBHSHLNASA-N 2 2 233.359 2.297 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000527630157 387642016 /nfs/dbraw/zinc/64/20/16/387642016.db2.gz XJIMDMPQVPHDRC-XBFCOCLRSA-N 2 2 233.359 2.297 20 0 BEADLP COc1ccc([C@@H]([NH2+]C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422738806 387645159 /nfs/dbraw/zinc/64/51/59/387645159.db2.gz ZMJPNAXJOQSRPK-HUUCEWRRSA-N 2 2 246.354 2.240 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422738495 387645991 /nfs/dbraw/zinc/64/59/91/387645991.db2.gz JKPQBGQYOIVSRB-OCCSQVGLSA-N 2 2 248.370 2.315 20 0 BEADLP CC[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422738920 387646490 /nfs/dbraw/zinc/64/64/90/387646490.db2.gz ZQNNBKQWCTYKRD-KBPBESRZSA-N 2 2 236.334 2.446 20 0 BEADLP CC[C@H]([NH2+]Cc1cnc(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422741501 387648115 /nfs/dbraw/zinc/64/81/15/387648115.db2.gz OORVMVLPOKXGOB-RYUDHWBXSA-N 2 2 239.388 2.072 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)[N@H+](C)C1CC1 ZINC000527655985 387662030 /nfs/dbraw/zinc/66/20/30/387662030.db2.gz UETKAUVQRSLDPF-GVARAGBVSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000527655985 387662033 /nfs/dbraw/zinc/66/20/33/387662033.db2.gz UETKAUVQRSLDPF-GVARAGBVSA-N 2 2 236.403 2.493 20 0 BEADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422777063 387675632 /nfs/dbraw/zinc/67/56/32/387675632.db2.gz FBYPHVZHLJJTBY-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP c1cn2c(cccc2C[NH2+]CC2CC=CC2)[nH+]1 ZINC000527743105 387687977 /nfs/dbraw/zinc/68/79/77/387687977.db2.gz FFNBLVZCAJWZFF-UHFFFAOYSA-N 2 2 227.311 2.390 20 0 BEADLP c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684987 387688190 /nfs/dbraw/zinc/68/81/90/387688190.db2.gz SDBZIWZVQZJRPY-CYBMUJFWSA-N 2 2 216.328 2.013 20 0 BEADLP c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684987 387688192 /nfs/dbraw/zinc/68/81/92/387688192.db2.gz SDBZIWZVQZJRPY-CYBMUJFWSA-N 2 2 216.328 2.013 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC000440777847 387692969 /nfs/dbraw/zinc/69/29/69/387692969.db2.gz XRHNNRFHGLTIIG-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](F)CC)C1 ZINC000440777847 387692975 /nfs/dbraw/zinc/69/29/75/387692975.db2.gz XRHNNRFHGLTIIG-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC000440777847 387692977 /nfs/dbraw/zinc/69/29/77/387692977.db2.gz XRHNNRFHGLTIIG-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](F)CC)C1 ZINC000440777847 387692983 /nfs/dbraw/zinc/69/29/83/387692983.db2.gz XRHNNRFHGLTIIG-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP FC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527751868 387693026 /nfs/dbraw/zinc/69/30/26/387693026.db2.gz ITCIOYQICXVJRY-ZDUSSCGKSA-N 2 2 240.366 2.485 20 0 BEADLP FC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751868 387693029 /nfs/dbraw/zinc/69/30/29/387693029.db2.gz ITCIOYQICXVJRY-ZDUSSCGKSA-N 2 2 240.366 2.485 20 0 BEADLP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753174 387693418 /nfs/dbraw/zinc/69/34/18/387693418.db2.gz QFDNJNGPTVNTQM-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP COC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527753174 387693424 /nfs/dbraw/zinc/69/34/24/387693424.db2.gz QFDNJNGPTVNTQM-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000440775016 387693762 /nfs/dbraw/zinc/69/37/62/387693762.db2.gz LQORGHKXUOXYLL-ZIAGYGMSSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000440775016 387693768 /nfs/dbraw/zinc/69/37/68/387693768.db2.gz LQORGHKXUOXYLL-ZIAGYGMSSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000440775016 387693773 /nfs/dbraw/zinc/69/37/73/387693773.db2.gz LQORGHKXUOXYLL-ZIAGYGMSSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000440775016 387693777 /nfs/dbraw/zinc/69/37/77/387693777.db2.gz LQORGHKXUOXYLL-ZIAGYGMSSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000422861222 387743899 /nfs/dbraw/zinc/74/38/99/387743899.db2.gz NOLVMZZWQFJMFQ-XQQFMLRXSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CCC[NH2+]C1 ZINC000422863222 387746724 /nfs/dbraw/zinc/74/67/24/387746724.db2.gz RIGUGBUBGTXSBT-VWYCJHECSA-N 2 2 239.388 2.182 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000643526259 387750372 /nfs/dbraw/zinc/75/03/72/387750372.db2.gz WVYDSRPXMRUTSC-IUCAKERBSA-N 2 2 244.285 2.286 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422872770 387751432 /nfs/dbraw/zinc/75/14/32/387751432.db2.gz INLSBAURZOQVEZ-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP CCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367793821 387752005 /nfs/dbraw/zinc/75/20/05/387752005.db2.gz PTYFFPHQVYBVGL-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367793821 387752012 /nfs/dbraw/zinc/75/20/12/387752012.db2.gz PTYFFPHQVYBVGL-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CC12CC2 ZINC000527844556 387753053 /nfs/dbraw/zinc/75/30/53/387753053.db2.gz GRIWKLULXQZAPG-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000422798868 387700482 /nfs/dbraw/zinc/70/04/82/387700482.db2.gz TXKWLQJGVNDMDA-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000367436680 387709416 /nfs/dbraw/zinc/70/94/16/387709416.db2.gz HAVVBLKZFUHBOP-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)C1CC1 ZINC000163527538 387710962 /nfs/dbraw/zinc/71/09/62/387710962.db2.gz MKTUWCUCDQKRLL-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)C1CC1 ZINC000163527538 387710968 /nfs/dbraw/zinc/71/09/68/387710968.db2.gz MKTUWCUCDQKRLL-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c[nH]1 ZINC000527806349 387730652 /nfs/dbraw/zinc/73/06/52/387730652.db2.gz JOPZYXSINPJYDK-CQSZACIVSA-N 2 2 233.359 2.121 20 0 BEADLP c1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c[nH]1 ZINC000527806349 387730659 /nfs/dbraw/zinc/73/06/59/387730659.db2.gz JOPZYXSINPJYDK-CQSZACIVSA-N 2 2 233.359 2.121 20 0 BEADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527866931 387739784 /nfs/dbraw/zinc/73/97/84/387739784.db2.gz DNYJWHHTDUMZGV-SYQHCUMBSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527866931 387739791 /nfs/dbraw/zinc/73/97/91/387739791.db2.gz DNYJWHHTDUMZGV-SYQHCUMBSA-N 2 2 236.403 2.493 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356886646 387741165 /nfs/dbraw/zinc/74/11/65/387741165.db2.gz YBGCDPUPUWSZHE-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356886646 387741172 /nfs/dbraw/zinc/74/11/72/387741172.db2.gz YBGCDPUPUWSZHE-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356886643 387742342 /nfs/dbraw/zinc/74/23/42/387742342.db2.gz YBGCDPUPUWSZHE-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356886643 387742346 /nfs/dbraw/zinc/74/23/46/387742346.db2.gz YBGCDPUPUWSZHE-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C1CC1)CCC2 ZINC000378005514 387761783 /nfs/dbraw/zinc/76/17/83/387761783.db2.gz OAJUSHWIGUOHGG-WCQYABFASA-N 2 2 233.359 2.457 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)c(F)c1 ZINC000643527330 387762313 /nfs/dbraw/zinc/76/23/13/387762313.db2.gz KYVSJJDEMMQUCV-JGVFFNPUSA-N 2 2 230.714 2.477 20 0 BEADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000422897305 387766139 /nfs/dbraw/zinc/76/61/39/387766139.db2.gz ZJSHQXZVRDVVKG-VHSXEESVSA-N 2 2 239.388 2.236 20 0 BEADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528185 387768102 /nfs/dbraw/zinc/76/81/02/387768102.db2.gz FHHPLRPFQBRTOS-DTWKUNHWSA-N 2 2 242.750 2.346 20 0 BEADLP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422908672 387768820 /nfs/dbraw/zinc/76/88/20/387768820.db2.gz DOGMRPUZTIQPHY-ZIAGYGMSSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000643528512 387769688 /nfs/dbraw/zinc/76/96/88/387769688.db2.gz KJFHOPFLSZINSW-SFYZADRCSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000643529704 387776687 /nfs/dbraw/zinc/77/66/87/387776687.db2.gz PHUATQWIPYBCSB-HZGVNTEJSA-N 2 2 244.260 2.028 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000643529705 387777123 /nfs/dbraw/zinc/77/71/23/387777123.db2.gz PHUATQWIPYBCSB-IMTBSYHQSA-N 2 2 244.260 2.028 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC12CC2 ZINC000527901102 387779668 /nfs/dbraw/zinc/77/96/68/387779668.db2.gz QJFTWVRRLMPZPO-DGCLKSJQSA-N 2 2 245.370 2.498 20 0 BEADLP c1cn(CCC[NH+]2CCC3(CC3)CC2)c[nH+]1 ZINC000378440917 387784166 /nfs/dbraw/zinc/78/41/66/387784166.db2.gz FXVBMMJXEAUFMJ-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)[C@@H]1CCC[NH2+]1 ZINC000422979453 387788523 /nfs/dbraw/zinc/78/85/23/387788523.db2.gz MUMGGMWOKDOREE-SWHYSGLUSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422979417 387788555 /nfs/dbraw/zinc/78/85/55/387788555.db2.gz MQXRAXVJWATNNW-RJZSHDOTSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000442649841 387810677 /nfs/dbraw/zinc/81/06/77/387810677.db2.gz NIUMOUVTSLBMOP-SMDDNHRTSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000442649841 387810679 /nfs/dbraw/zinc/81/06/79/387810679.db2.gz NIUMOUVTSLBMOP-SMDDNHRTSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000422958499 387810809 /nfs/dbraw/zinc/81/08/09/387810809.db2.gz PJDAQTPSNJZBSU-GYSYKLTISA-N 2 2 216.328 2.186 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1F ZINC000643527839 387757794 /nfs/dbraw/zinc/75/77/94/387757794.db2.gz UAHBLUQFLRYAMA-SKDRFNHKSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527861015 387759581 /nfs/dbraw/zinc/75/95/81/387759581.db2.gz ZMZLZOGOTFAHFJ-GMXVVIOVSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527861015 387759586 /nfs/dbraw/zinc/75/95/86/387759586.db2.gz ZMZLZOGOTFAHFJ-GMXVVIOVSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527861014 387760442 /nfs/dbraw/zinc/76/04/42/387760442.db2.gz ZMZLZOGOTFAHFJ-DMDPSCGWSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527861014 387760447 /nfs/dbraw/zinc/76/04/47/387760447.db2.gz ZMZLZOGOTFAHFJ-DMDPSCGWSA-N 2 2 220.360 2.001 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C1CC1)CCC2 ZINC000378005512 387760986 /nfs/dbraw/zinc/76/09/86/387760986.db2.gz OAJUSHWIGUOHGG-DGCLKSJQSA-N 2 2 233.359 2.457 20 0 BEADLP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000442667195 387819825 /nfs/dbraw/zinc/81/98/25/387819825.db2.gz YOKIRYKCWWZKKJ-DGCLKSJQSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000442667195 387819832 /nfs/dbraw/zinc/81/98/32/387819832.db2.gz YOKIRYKCWWZKKJ-DGCLKSJQSA-N 2 2 234.343 2.179 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@H]1C[C@@H]1C ZINC000322055418 387872880 /nfs/dbraw/zinc/87/28/80/387872880.db2.gz QBDWRMAYOKKBRU-IMIFBBOLSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@H]1C[C@@H]1C ZINC000322055418 387872886 /nfs/dbraw/zinc/87/28/86/387872886.db2.gz QBDWRMAYOKKBRU-IMIFBBOLSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000564081161 387820176 /nfs/dbraw/zinc/82/01/76/387820176.db2.gz ZDVPRGORBQBCTH-LSDHHAIUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000564081161 387820178 /nfs/dbraw/zinc/82/01/78/387820178.db2.gz ZDVPRGORBQBCTH-LSDHHAIUSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015530 387822111 /nfs/dbraw/zinc/82/21/11/387822111.db2.gz YMZZIKLAJQFBAZ-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015530 387822114 /nfs/dbraw/zinc/82/21/14/387822114.db2.gz YMZZIKLAJQFBAZ-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]([NH2+]Cc1cncc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423009994 387833221 /nfs/dbraw/zinc/83/32/21/387833221.db2.gz FKNXRUYIBKPUBV-KGLIPLIRSA-N 2 2 233.359 2.010 20 0 BEADLP CCC[C@](C)([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000442748695 387835047 /nfs/dbraw/zinc/83/50/47/387835047.db2.gz MVBPSYGFRQFTCR-SKDRFNHKSA-N 2 2 240.351 2.090 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423014806 387839463 /nfs/dbraw/zinc/83/94/63/387839463.db2.gz JLBVWIHDYIVADJ-LALPHHSUSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cncc(F)c1 ZINC000423026361 387844728 /nfs/dbraw/zinc/84/47/28/387844728.db2.gz AYSPDLVVZOQDER-KWBADKCTSA-N 2 2 237.322 2.012 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643535988 387865998 /nfs/dbraw/zinc/86/59/98/387865998.db2.gz LRDZTRWUTWUHAB-XBFCOCLRSA-N 2 2 236.334 2.346 20 0 BEADLP CC[C@@](C)([NH2+]C[C@@H](C)[NH3+])c1nc(C)cs1 ZINC000442654395 387815491 /nfs/dbraw/zinc/81/54/91/387815491.db2.gz BIEZZGFPAHVWMQ-LDYMZIIASA-N 2 2 227.377 2.014 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000564081160 387819536 /nfs/dbraw/zinc/81/95/36/387819536.db2.gz ZDVPRGORBQBCTH-HUUCEWRRSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000564081160 387819540 /nfs/dbraw/zinc/81/95/40/387819540.db2.gz ZDVPRGORBQBCTH-HUUCEWRRSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@@H]1C[C@@H]1C ZINC000322107732 387896039 /nfs/dbraw/zinc/89/60/39/387896039.db2.gz ZTEQMDQJHHIUIL-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@@H]1C[C@@H]1C ZINC000322107732 387896042 /nfs/dbraw/zinc/89/60/42/387896042.db2.gz ZTEQMDQJHHIUIL-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538362 387876331 /nfs/dbraw/zinc/87/63/31/387876331.db2.gz HXRLXBFRVDJRIX-VOAKCMCISA-N 2 2 228.355 2.245 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538363 387876539 /nfs/dbraw/zinc/87/65/39/387876539.db2.gz HXRLXBFRVDJRIX-ZDEQEGDKSA-N 2 2 228.355 2.245 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000643538647 387877126 /nfs/dbraw/zinc/87/71/26/387877126.db2.gz QUAYLVUMZFFKOV-IHRRRGAJSA-N 2 2 240.366 2.245 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643539860 387881832 /nfs/dbraw/zinc/88/18/32/387881832.db2.gz HAWQBWCTPTWSAV-UPFKWVMWSA-N 2 2 240.297 2.277 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154538860 387899511 /nfs/dbraw/zinc/89/95/11/387899511.db2.gz HHAGTZJQXCTAMQ-GHMZBOCLSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccs1 ZINC000154538860 387899515 /nfs/dbraw/zinc/89/95/15/387899515.db2.gz HHAGTZJQXCTAMQ-GHMZBOCLSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)[C@H]1CCCC[NH2+]1 ZINC000423152010 387930190 /nfs/dbraw/zinc/93/01/90/387930190.db2.gz FCRTWVNJPYHCRV-RVMXOQNASA-N 2 2 248.374 2.009 20 0 BEADLP CC[C@@H]([NH2+]Cc1cnc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000423156017 387935529 /nfs/dbraw/zinc/93/55/29/387935529.db2.gz LVUXQTGZQJXGFE-CABCVRRESA-N 2 2 247.386 2.319 20 0 BEADLP CC[C@@H]([NH2+]Cc1cnccc1C)[C@@H]1CCC[NH2+]1 ZINC000423158432 387938335 /nfs/dbraw/zinc/93/83/35/387938335.db2.gz WTSDXGUALOPGQG-KGLIPLIRSA-N 2 2 233.359 2.010 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1C)C1CC1 ZINC000322126018 387942453 /nfs/dbraw/zinc/94/24/53/387942453.db2.gz DDBKOEGKPPNTAL-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@@H]1C)C1CC1 ZINC000322126018 387942457 /nfs/dbraw/zinc/94/24/57/387942457.db2.gz DDBKOEGKPPNTAL-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1C)C1CC1 ZINC000322126020 387942633 /nfs/dbraw/zinc/94/26/33/387942633.db2.gz DDBKOEGKPPNTAL-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1C[C@H]1C)C1CC1 ZINC000322126020 387942637 /nfs/dbraw/zinc/94/26/37/387942637.db2.gz DDBKOEGKPPNTAL-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000438825132 387956318 /nfs/dbraw/zinc/95/63/18/387956318.db2.gz HIYSYIZTBMXFIG-VXGBXAGGSA-N 2 2 249.358 2.118 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)no1 ZINC000438825132 387956320 /nfs/dbraw/zinc/95/63/20/387956320.db2.gz HIYSYIZTBMXFIG-VXGBXAGGSA-N 2 2 249.358 2.118 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@@H]1CCC[NH2+]1 ZINC000423175269 387962669 /nfs/dbraw/zinc/96/26/69/387962669.db2.gz DPXJDTBJLBEQMC-LPWJVIDDSA-N 2 2 228.355 2.387 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccccc1OC(F)(F)F ZINC000423178734 387964364 /nfs/dbraw/zinc/96/43/64/387964364.db2.gz IJNQWTBLZODZKB-MRVPVSSYSA-N 2 2 248.248 2.195 20 0 BEADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC[NH3+])c1 ZINC000423178781 387964846 /nfs/dbraw/zinc/96/48/46/387964846.db2.gz IOLJJSHQSUDIGH-SECBINFHSA-N 2 2 244.285 2.206 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295617 387956920 /nfs/dbraw/zinc/95/69/20/387956920.db2.gz PVURWBDBSMYFCV-MZGVZZPPSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295617 387956924 /nfs/dbraw/zinc/95/69/24/387956924.db2.gz PVURWBDBSMYFCV-MZGVZZPPSA-N 2 2 248.414 2.495 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)o1 ZINC000423191491 387975393 /nfs/dbraw/zinc/97/53/93/387975393.db2.gz UGFPJSOWOJLRHZ-JTQLQIEISA-N 2 2 222.332 2.245 20 0 BEADLP Fc1cncc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423192983 387978381 /nfs/dbraw/zinc/97/83/81/387978381.db2.gz QLPQPKJXRSWUIR-UONOGXRCSA-N 2 2 249.333 2.013 20 0 BEADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423203774 387988787 /nfs/dbraw/zinc/98/87/87/387988787.db2.gz NKJUADDPMVBGEK-DYEKYZERSA-N 2 2 230.355 2.495 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453089437 387982976 /nfs/dbraw/zinc/98/29/76/387982976.db2.gz XCFWYUBSWOGRCE-ZDUSSCGKSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453089437 387982980 /nfs/dbraw/zinc/98/29/80/387982980.db2.gz XCFWYUBSWOGRCE-ZDUSSCGKSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423198851 387983538 /nfs/dbraw/zinc/98/35/38/387983538.db2.gz IGVWXAZSRYZWGQ-LBPRGKRZSA-N 2 2 240.297 2.151 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cn1 ZINC000424374873 387999817 /nfs/dbraw/zinc/99/98/17/387999817.db2.gz LXRXNQBTDVTJKI-IRUJWGPZSA-N 2 2 237.322 2.141 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1sccc1C ZINC000423241374 388023772 /nfs/dbraw/zinc/02/37/72/388023772.db2.gz HXIVZFAMIYMJLU-JTQLQIEISA-N 2 2 212.362 2.317 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423227295 388011969 /nfs/dbraw/zinc/01/19/69/388011969.db2.gz VEXWFZKMMXWYPL-WCBMZHEXSA-N 2 2 242.413 2.483 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000423227921 388013423 /nfs/dbraw/zinc/01/34/23/388013423.db2.gz XMLWFFGPLBFOGD-LBPRGKRZSA-N 2 2 206.333 2.173 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230134 388014658 /nfs/dbraw/zinc/01/46/58/388014658.db2.gz CQESDWQPEAZDQU-RISCZKNCSA-N 2 2 246.354 2.024 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423229076 388015379 /nfs/dbraw/zinc/01/53/79/388015379.db2.gz AFIZYQBIBXPUMG-VXGBXAGGSA-N 2 2 237.322 2.013 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccsc1 ZINC000423229420 388015397 /nfs/dbraw/zinc/01/53/97/388015397.db2.gz BGSXVQLFSYQXGP-LLVKDONJSA-N 2 2 212.362 2.398 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423232406 388016572 /nfs/dbraw/zinc/01/65/72/388016572.db2.gz IHIYEVTUYROOQY-OLZOCXBDSA-N 2 2 247.386 2.155 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423232407 388017492 /nfs/dbraw/zinc/01/74/92/388017492.db2.gz IHIYEVTUYROOQY-QWHCGFSZSA-N 2 2 247.386 2.155 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423233726 388019018 /nfs/dbraw/zinc/01/90/18/388019018.db2.gz KLFPBRSSSZVKAM-QWHCGFSZSA-N 2 2 233.359 2.264 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237594 388021010 /nfs/dbraw/zinc/02/10/10/388021010.db2.gz PZHFFRPMUIGFLR-DGCLKSJQSA-N 2 2 233.359 2.047 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423239940 388022318 /nfs/dbraw/zinc/02/23/18/388022318.db2.gz GJQSMHCZPHSZQS-SNVBAGLBSA-N 2 2 240.322 2.094 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423239943 388022729 /nfs/dbraw/zinc/02/27/29/388022729.db2.gz GJZWJGYXXQXNKM-LBPRGKRZSA-N 2 2 236.359 2.492 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000423238137 388023100 /nfs/dbraw/zinc/02/31/00/388023100.db2.gz FGTJNTZQICFQCI-CQSZACIVSA-N 2 2 232.371 2.490 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423250440 388033850 /nfs/dbraw/zinc/03/38/50/388033850.db2.gz QFLUIWIIPZOQJX-BNOWGMLFSA-N 2 2 218.344 2.465 20 0 BEADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000423252968 388036095 /nfs/dbraw/zinc/03/60/95/388036095.db2.gz YLOHXBZIOXVPMB-KBPBESRZSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C[C@@H]1C ZINC000082836017 388041646 /nfs/dbraw/zinc/04/16/46/388041646.db2.gz RSNMYENOWNNFMP-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000082858958 388042900 /nfs/dbraw/zinc/04/29/00/388042900.db2.gz UFBADWHWHMCKFV-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423265274 388043808 /nfs/dbraw/zinc/04/38/08/388043808.db2.gz CSDYJYNPWDCPPK-RYUDHWBXSA-N 2 2 221.348 2.024 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423272503 388050933 /nfs/dbraw/zinc/05/09/33/388050933.db2.gz YYSZZWVXGKNIIS-WCQYABFASA-N 2 2 236.359 2.329 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(F)c1F ZINC000423282173 388063545 /nfs/dbraw/zinc/06/35/45/388063545.db2.gz CDVBIHTYIRLLDN-QMMMGPOBSA-N 2 2 228.286 2.353 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423282479 388065910 /nfs/dbraw/zinc/06/59/10/388065910.db2.gz VDHVQCBLRGAFCU-BXUZGUMPSA-N 2 2 248.370 2.473 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423284174 388066793 /nfs/dbraw/zinc/06/67/93/388066793.db2.gz WLOHJEQKSBPBOH-SMDDNHRTSA-N 2 2 248.370 2.392 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423287471 388071924 /nfs/dbraw/zinc/07/19/24/388071924.db2.gz MMJZLICOLRVNLO-SNVBAGLBSA-N 2 2 239.338 2.389 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000084946457 388081162 /nfs/dbraw/zinc/08/11/62/388081162.db2.gz IYDSXCFCPTYEKO-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@@H]1[NH3+] ZINC000084946457 388081165 /nfs/dbraw/zinc/08/11/65/388081165.db2.gz IYDSXCFCPTYEKO-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1(C)C ZINC000085380066 388086583 /nfs/dbraw/zinc/08/65/83/388086583.db2.gz CODWICHRIMRKDL-NEPJUHHUSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)C1(C)C ZINC000085398333 388087556 /nfs/dbraw/zinc/08/75/56/388087556.db2.gz SSAYSBMBPPRAPI-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1(C)C ZINC000085398333 388087559 /nfs/dbraw/zinc/08/75/59/388087559.db2.gz SSAYSBMBPPRAPI-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727607 388108432 /nfs/dbraw/zinc/10/84/32/388108432.db2.gz PJPFBBYLJNYXFS-PWSUYJOCSA-N 2 2 234.368 2.175 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423268959 388046984 /nfs/dbraw/zinc/04/69/84/388046984.db2.gz VJQDCZICSRWJJB-WCQYABFASA-N 2 2 236.359 2.416 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449191985 388155428 /nfs/dbraw/zinc/15/54/28/388155428.db2.gz PZVCFHDVNANVLN-FPMFFAJLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449191985 388155429 /nfs/dbraw/zinc/15/54/29/388155429.db2.gz PZVCFHDVNANVLN-FPMFFAJLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000449271142 388165232 /nfs/dbraw/zinc/16/52/32/388165232.db2.gz NUUPWLHBALIRPT-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000449271142 388165235 /nfs/dbraw/zinc/16/52/35/388165235.db2.gz NUUPWLHBALIRPT-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H](C)CO ZINC000646263134 388172692 /nfs/dbraw/zinc/17/26/92/388172692.db2.gz YDICNFOBEHJXBS-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H](C)CO ZINC000646263134 388172693 /nfs/dbraw/zinc/17/26/93/388172693.db2.gz YDICNFOBEHJXBS-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000449338374 388175925 /nfs/dbraw/zinc/17/59/25/388175925.db2.gz RTFHBDSQJANPHP-NEPJUHHUSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000449338374 388175927 /nfs/dbraw/zinc/17/59/27/388175927.db2.gz RTFHBDSQJANPHP-NEPJUHHUSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000449338376 388176256 /nfs/dbraw/zinc/17/62/56/388176256.db2.gz RTFHBDSQJANPHP-RYUDHWBXSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000449338376 388176258 /nfs/dbraw/zinc/17/62/58/388176258.db2.gz RTFHBDSQJANPHP-RYUDHWBXSA-N 2 2 233.359 2.435 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000449072339 388139270 /nfs/dbraw/zinc/13/92/70/388139270.db2.gz FFHSKWJNZBOMIX-AWEZNQCLSA-N 2 2 243.354 2.412 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000449089496 388141447 /nfs/dbraw/zinc/14/14/47/388141447.db2.gz KSUMSJKILRZZBU-SMDDNHRTSA-N 2 2 236.359 2.140 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449138405 388147681 /nfs/dbraw/zinc/14/76/81/388147681.db2.gz BYFGSZXVRJOSSH-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449138405 388147684 /nfs/dbraw/zinc/14/76/84/388147684.db2.gz BYFGSZXVRJOSSH-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646129301 388150224 /nfs/dbraw/zinc/15/02/24/388150224.db2.gz PBQJBGZILNCXOT-QWHCGFSZSA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646129301 388150225 /nfs/dbraw/zinc/15/02/25/388150225.db2.gz PBQJBGZILNCXOT-QWHCGFSZSA-N 2 2 208.349 2.169 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449377079 388187228 /nfs/dbraw/zinc/18/72/28/388187228.db2.gz NPDNREOPJRNPCG-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449377079 388187230 /nfs/dbraw/zinc/18/72/30/388187230.db2.gz NPDNREOPJRNPCG-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C ZINC000449170984 388152549 /nfs/dbraw/zinc/15/25/49/388152549.db2.gz JWIKFNLUECWXMW-CYBMUJFWSA-N 2 2 244.423 2.369 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C ZINC000449170984 388152551 /nfs/dbraw/zinc/15/25/51/388152551.db2.gz JWIKFNLUECWXMW-CYBMUJFWSA-N 2 2 244.423 2.369 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)CCCOC)C1CCC1 ZINC000449171500 388152599 /nfs/dbraw/zinc/15/25/99/388152599.db2.gz KQEMMDYGHXJBLL-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)CCCOC)C1CCC1 ZINC000449171500 388152602 /nfs/dbraw/zinc/15/26/02/388152602.db2.gz KQEMMDYGHXJBLL-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385838 388190975 /nfs/dbraw/zinc/19/09/75/388190975.db2.gz GVOYCVPZTYERMM-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385838 388190978 /nfs/dbraw/zinc/19/09/78/388190978.db2.gz GVOYCVPZTYERMM-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389719 388191612 /nfs/dbraw/zinc/19/16/12/388191612.db2.gz TWISFTWZSMNQLG-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389719 388191616 /nfs/dbraw/zinc/19/16/16/388191616.db2.gz TWISFTWZSMNQLG-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313304743 256546991 /nfs/dbraw/zinc/54/69/91/256546991.db2.gz RUKCNKWUQQSTEP-DGCLKSJQSA-N 2 2 235.375 2.377 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cs2)C1 ZINC000449480025 388215423 /nfs/dbraw/zinc/21/54/23/388215423.db2.gz NJDIJBGGXITXFF-DGCLKSJQSA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cs2)C1 ZINC000449480025 388215425 /nfs/dbraw/zinc/21/54/25/388215425.db2.gz NJDIJBGGXITXFF-DGCLKSJQSA-N 2 2 238.400 2.486 20 0 BEADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)[C@H](C)O ZINC000449544454 388228567 /nfs/dbraw/zinc/22/85/67/388228567.db2.gz QOMFRFPIHGLWCT-GXTWGEPZSA-N 2 2 236.359 2.072 20 0 BEADLP CSc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000084534800 256565537 /nfs/dbraw/zinc/56/55/37/256565537.db2.gz CZFUUSVJNVHSPB-GFCCVEGCSA-N 2 2 236.384 2.250 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CS1 ZINC000449557040 388231626 /nfs/dbraw/zinc/23/16/26/388231626.db2.gz PGSJUWBQXJDIKG-QJPTWQEYSA-N 2 2 230.421 2.056 20 0 BEADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459443928 388244944 /nfs/dbraw/zinc/24/49/44/388244944.db2.gz YTMQDFSZYXLFBU-FRRDWIJNSA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459443928 388244947 /nfs/dbraw/zinc/24/49/47/388244947.db2.gz YTMQDFSZYXLFBU-FRRDWIJNSA-N 2 2 235.375 2.329 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1CC(C(C)C)C1 ZINC000233436332 388346481 /nfs/dbraw/zinc/34/64/81/388346481.db2.gz DMLDRDIGWHCSSZ-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc2ccccc2o1 ZINC000235097561 388365091 /nfs/dbraw/zinc/36/50/91/388365091.db2.gz GQICDCXOSFCUDQ-VHSXEESVSA-N 2 2 218.300 2.431 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000235190115 388366052 /nfs/dbraw/zinc/36/60/52/388366052.db2.gz KHNLETAAUDAXKH-KOLCDFICSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1Cl ZINC000235462503 388369313 /nfs/dbraw/zinc/36/93/13/388369313.db2.gz OMQLTOPIIIIVIW-RKDXNWHRSA-N 2 2 212.724 2.338 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000235530987 388370696 /nfs/dbraw/zinc/37/06/96/388370696.db2.gz KHNLETAAUDAXKH-ONGXEEELSA-N 2 2 210.346 2.151 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000572721726 388370939 /nfs/dbraw/zinc/37/09/39/388370939.db2.gz BVONCVDYMLCBQJ-DGCLKSJQSA-N 3 2 235.375 2.038 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]Cc1cc2ccccc2o1 ZINC000237936117 388399772 /nfs/dbraw/zinc/39/97/72/388399772.db2.gz QITAEOUPKBONRN-UHFFFAOYSA-N 2 2 241.294 2.456 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000334671165 388446286 /nfs/dbraw/zinc/44/62/86/388446286.db2.gz OEYNZZNPVNXVBH-IUODEOHRSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000334671165 388446288 /nfs/dbraw/zinc/44/62/88/388446288.db2.gz OEYNZZNPVNXVBH-IUODEOHRSA-N 2 2 247.386 2.128 20 0 BEADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCCCO1 ZINC000308637992 388446616 /nfs/dbraw/zinc/44/66/16/388446616.db2.gz VIJDXORUQMSSDA-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000335641679 388453062 /nfs/dbraw/zinc/45/30/62/388453062.db2.gz CVLVZRKAYMDAKE-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000336326564 388456245 /nfs/dbraw/zinc/45/62/45/388456245.db2.gz BLLBQDQRYHBCFH-VHSXEESVSA-N 2 2 221.348 2.291 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000336326564 388456246 /nfs/dbraw/zinc/45/62/46/388456246.db2.gz BLLBQDQRYHBCFH-VHSXEESVSA-N 2 2 221.348 2.291 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000336326562 388456334 /nfs/dbraw/zinc/45/63/34/388456334.db2.gz BLLBQDQRYHBCFH-NXEZZACHSA-N 2 2 221.348 2.291 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000336326562 388456336 /nfs/dbraw/zinc/45/63/36/388456336.db2.gz BLLBQDQRYHBCFH-NXEZZACHSA-N 2 2 221.348 2.291 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000309897655 388468817 /nfs/dbraw/zinc/46/88/17/388468817.db2.gz GMSBMPOOTCOAAU-BZPMIXESSA-N 2 2 218.344 2.287 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000309897655 388468820 /nfs/dbraw/zinc/46/88/20/388468820.db2.gz GMSBMPOOTCOAAU-BZPMIXESSA-N 2 2 218.344 2.287 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322368509 388433392 /nfs/dbraw/zinc/43/33/92/388433392.db2.gz ISSVEFGBRIFQBN-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000322368509 388433395 /nfs/dbraw/zinc/43/33/95/388433395.db2.gz ISSVEFGBRIFQBN-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC1(C)CC(C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000528502549 388537707 /nfs/dbraw/zinc/53/77/07/388537707.db2.gz HLEHIFHSHDFTMM-UHFFFAOYSA-N 2 2 219.332 2.204 20 0 BEADLP CC1(C)CC(C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000528502549 388537709 /nfs/dbraw/zinc/53/77/09/388537709.db2.gz HLEHIFHSHDFTMM-UHFFFAOYSA-N 2 2 219.332 2.204 20 0 BEADLP C/C(Cl)=C/C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528512139 388537968 /nfs/dbraw/zinc/53/79/68/388537968.db2.gz ILNPOQZHKWCRJZ-CTPBAPBTSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C/C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528512139 388537969 /nfs/dbraw/zinc/53/79/69/388537969.db2.gz ILNPOQZHKWCRJZ-CTPBAPBTSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C/C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000528512139 388537971 /nfs/dbraw/zinc/53/79/71/388537971.db2.gz ILNPOQZHKWCRJZ-CTPBAPBTSA-N 2 2 228.767 2.157 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000528512139 388537974 /nfs/dbraw/zinc/53/79/74/388537974.db2.gz ILNPOQZHKWCRJZ-CTPBAPBTSA-N 2 2 228.767 2.157 20 0 BEADLP Cc1cccc(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000397778368 388498057 /nfs/dbraw/zinc/49/80/57/388498057.db2.gz NZOGKJZEUAWCNW-UHFFFAOYSA-N 2 2 218.344 2.179 20 0 BEADLP C[C@@H]1CCC[C@@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397768483 388498192 /nfs/dbraw/zinc/49/81/92/388498192.db2.gz KRLHVFNICZVDQQ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000397794364 388499690 /nfs/dbraw/zinc/49/96/90/388499690.db2.gz BANJCQABDSOXBH-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397864344 388507254 /nfs/dbraw/zinc/50/72/54/388507254.db2.gz PTXROHIXJGLGDV-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397982023 388513482 /nfs/dbraw/zinc/51/34/82/388513482.db2.gz RXCNRGDWMKGBQY-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000398066155 388516962 /nfs/dbraw/zinc/51/69/62/388516962.db2.gz NUWKFZKFGAXUJH-IAQYHMDHSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000398066166 388517050 /nfs/dbraw/zinc/51/70/50/388517050.db2.gz NUWKFZKFGAXUJH-XHDPSFHLSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)[C@@H]1C ZINC000517582647 388554457 /nfs/dbraw/zinc/55/44/57/388554457.db2.gz MNYFPBIJBKNKFP-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1C ZINC000517582647 388554459 /nfs/dbraw/zinc/55/44/59/388554459.db2.gz MNYFPBIJBKNKFP-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1(C)CC1 ZINC000224543200 388666404 /nfs/dbraw/zinc/66/64/04/388666404.db2.gz BFJVONPXPVDOGQ-IJLUTSLNSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1(C)CC1 ZINC000224543200 388666407 /nfs/dbraw/zinc/66/64/07/388666407.db2.gz BFJVONPXPVDOGQ-IJLUTSLNSA-N 2 2 222.376 2.390 20 0 BEADLP CCC[C@@H]1C[N@H+](CCC[NH+](CC)CC)CCO1 ZINC000191817020 388670341 /nfs/dbraw/zinc/67/03/41/388670341.db2.gz UUSSBXOCRPQXHK-CQSZACIVSA-N 2 2 242.407 2.219 20 0 BEADLP CCC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)CCO1 ZINC000191817020 388670343 /nfs/dbraw/zinc/67/03/43/388670343.db2.gz UUSSBXOCRPQXHK-CQSZACIVSA-N 2 2 242.407 2.219 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177786 388621605 /nfs/dbraw/zinc/62/16/05/388621605.db2.gz UVCXLCLGUGKQNA-CYBMUJFWSA-N 2 2 234.318 2.200 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154515094 388625276 /nfs/dbraw/zinc/62/52/76/388625276.db2.gz FLGDCWFQDWPZMZ-AAEUAGOBSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154515094 388625278 /nfs/dbraw/zinc/62/52/78/388625278.db2.gz FLGDCWFQDWPZMZ-AAEUAGOBSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000530222007 388633107 /nfs/dbraw/zinc/63/31/07/388633107.db2.gz QNKXQHXNVVHAJO-GXTWGEPZSA-N 2 2 233.359 2.010 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000252461850 388652349 /nfs/dbraw/zinc/65/23/49/388652349.db2.gz ZABWVWAMFNNNHN-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000252461850 388652352 /nfs/dbraw/zinc/65/23/52/388652352.db2.gz ZABWVWAMFNNNHN-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000247096025 388658854 /nfs/dbraw/zinc/65/88/54/388658854.db2.gz SALFHTSMIZTBTQ-SDDRHHMPSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000247096025 388658856 /nfs/dbraw/zinc/65/88/56/388658856.db2.gz SALFHTSMIZTBTQ-SDDRHHMPSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@@H+]1C1CC1 ZINC000128368080 388750927 /nfs/dbraw/zinc/75/09/27/388750927.db2.gz ZAPIICCKTYAGEU-VXGBXAGGSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccco2)C[N@H+]1C1CC1 ZINC000128368080 388750928 /nfs/dbraw/zinc/75/09/28/388750928.db2.gz ZAPIICCKTYAGEU-VXGBXAGGSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]([NH2+][C@H]1CCOC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248654404 388688430 /nfs/dbraw/zinc/68/84/30/388688430.db2.gz ZPAJOVRMDCUSJS-QEJZJMRPSA-N 2 2 248.370 2.056 20 0 BEADLP COC(C)(C)C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000553521472 388780851 /nfs/dbraw/zinc/78/08/51/388780851.db2.gz BTPBMTPAQOQHAI-UHFFFAOYSA-N 2 2 247.342 2.191 20 0 BEADLP COC(C)(C)C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000553521472 388780854 /nfs/dbraw/zinc/78/08/54/388780854.db2.gz BTPBMTPAQOQHAI-UHFFFAOYSA-N 2 2 247.342 2.191 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000129175747 388824898 /nfs/dbraw/zinc/82/48/98/388824898.db2.gz MZSQXECDNBZURN-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000129175747 388824901 /nfs/dbraw/zinc/82/49/01/388824901.db2.gz MZSQXECDNBZURN-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000540918200 388825601 /nfs/dbraw/zinc/82/56/01/388825601.db2.gz MTZFSGRTASRKMB-LLVKDONJSA-N 2 2 219.332 2.152 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000540918200 388825607 /nfs/dbraw/zinc/82/56/07/388825607.db2.gz MTZFSGRTASRKMB-LLVKDONJSA-N 2 2 219.332 2.152 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cn1 ZINC000293616288 388854639 /nfs/dbraw/zinc/85/46/39/388854639.db2.gz JJUJGCBHDCXUJA-WDEREUQCSA-N 2 2 239.338 2.069 20 0 BEADLP CCc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000565217954 388926646 /nfs/dbraw/zinc/92/66/46/388926646.db2.gz KRKRABASUXYGHQ-UHFFFAOYSA-N 2 2 232.371 2.431 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2CCCC2)n1C ZINC000565241932 388930609 /nfs/dbraw/zinc/93/06/09/388930609.db2.gz JFCJSGLTTSTFGT-SNVBAGLBSA-N 2 2 221.348 2.397 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](CC(C)C)CC1 ZINC000340593557 132222214 /nfs/dbraw/zinc/22/22/14/132222214.db2.gz CQNSVUUEVVZFAM-UHFFFAOYSA-N 2 2 233.359 2.168 20 0 BEADLP Cc1cc(N2CCC[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000044531739 132225004 /nfs/dbraw/zinc/22/50/04/132225004.db2.gz KTVQWOHKSPAVCE-LBPRGKRZSA-N 2 2 248.374 2.084 20 0 BEADLP c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]c1 ZINC000063201220 132241599 /nfs/dbraw/zinc/24/15/99/132241599.db2.gz LZUVNCIXEQVSAV-CYBMUJFWSA-N 2 2 231.343 2.050 20 0 BEADLP c1ccc(N2CCC([NH2+]C3CCC3)CC2)[nH+]c1 ZINC000044480788 132354067 /nfs/dbraw/zinc/35/40/67/132354067.db2.gz AMXUMGPXNPUSJT-UHFFFAOYSA-N 2 2 231.343 2.193 20 0 BEADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)CC12CCC2 ZINC000335947461 134020556 /nfs/dbraw/zinc/02/05/56/134020556.db2.gz YQNGVEBVIJBIRM-CYBMUJFWSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)CC12CCC2 ZINC000335947461 134020557 /nfs/dbraw/zinc/02/05/57/134020557.db2.gz YQNGVEBVIJBIRM-CYBMUJFWSA-N 2 2 233.359 2.395 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC13CCC3)C2 ZINC000336003073 134048148 /nfs/dbraw/zinc/04/81/48/134048148.db2.gz OTIDYXKKXMOUKO-MFKMUULPSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000336003073 134048149 /nfs/dbraw/zinc/04/81/49/134048149.db2.gz OTIDYXKKXMOUKO-MFKMUULPSA-N 2 2 231.343 2.189 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000336100863 134083403 /nfs/dbraw/zinc/08/34/03/134083403.db2.gz DYPTUSQCJICHTM-NWDGAFQWSA-N 2 2 245.326 2.450 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000336103186 134083988 /nfs/dbraw/zinc/08/39/88/134083988.db2.gz OFVLDTQVIFEPHB-STQMWFEESA-N 2 2 231.343 2.144 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1F ZINC000168823262 134247497 /nfs/dbraw/zinc/24/74/97/134247497.db2.gz GQAWKAGYAKMRAS-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1F ZINC000168823262 134247498 /nfs/dbraw/zinc/24/74/98/134247498.db2.gz GQAWKAGYAKMRAS-LBPRGKRZSA-N 2 2 222.307 2.057 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000218096503 134251748 /nfs/dbraw/zinc/25/17/48/134251748.db2.gz UBMHZXOASSXTLI-HUUCEWRRSA-N 2 2 232.371 2.331 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000218096503 134251749 /nfs/dbraw/zinc/25/17/49/134251749.db2.gz UBMHZXOASSXTLI-HUUCEWRRSA-N 2 2 232.371 2.331 20 0 BEADLP COCCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000177923533 134302352 /nfs/dbraw/zinc/30/23/52/134302352.db2.gz AAPLQBMYWFSWLI-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H](C[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC000220543301 134309752 /nfs/dbraw/zinc/30/97/52/134309752.db2.gz PTXPIIGOJMDTNN-SZNGSJQDSA-N 2 2 218.344 2.240 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221394016 134323542 /nfs/dbraw/zinc/32/35/42/134323542.db2.gz BNCPDMPMUQDCFO-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221394016 134323543 /nfs/dbraw/zinc/32/35/43/134323543.db2.gz BNCPDMPMUQDCFO-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000221429832 134324346 /nfs/dbraw/zinc/32/43/46/134324346.db2.gz NNLFOHTXTYFYDB-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000221429832 134324347 /nfs/dbraw/zinc/32/43/47/134324347.db2.gz NNLFOHTXTYFYDB-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000224184449 134345027 /nfs/dbraw/zinc/34/50/27/134345027.db2.gz GCJZFCXADNMLHH-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000224184449 134345028 /nfs/dbraw/zinc/34/50/28/134345028.db2.gz GCJZFCXADNMLHH-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226587319 134367070 /nfs/dbraw/zinc/36/70/70/134367070.db2.gz QGHHQRVHDATIHB-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000226770199 134370645 /nfs/dbraw/zinc/37/06/45/134370645.db2.gz AUSJIBCVVLFIFE-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000226770199 134370646 /nfs/dbraw/zinc/37/06/46/134370646.db2.gz AUSJIBCVVLFIFE-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000227376521 134379204 /nfs/dbraw/zinc/37/92/04/134379204.db2.gz RYJCDDDPLWMCRU-JQWIXIFHSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000227376521 134379205 /nfs/dbraw/zinc/37/92/05/134379205.db2.gz RYJCDDDPLWMCRU-JQWIXIFHSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000227375810 134379241 /nfs/dbraw/zinc/37/92/41/134379241.db2.gz NMMNSGLTHDBTEE-WDEREUQCSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000227375810 134379242 /nfs/dbraw/zinc/37/92/42/134379242.db2.gz NMMNSGLTHDBTEE-WDEREUQCSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)[NH+](C)C ZINC000227871518 134391544 /nfs/dbraw/zinc/39/15/44/134391544.db2.gz AKUZKVMUHNULSH-BNOWGMLFSA-N 2 2 224.392 2.495 20 0 BEADLP c1cnc2c(c1)cccc2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000159317072 134769766 /nfs/dbraw/zinc/76/97/66/134769766.db2.gz PRDZRKJIZGRHLR-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000070643725 135001252 /nfs/dbraw/zinc/00/12/52/135001252.db2.gz HDOHXVDJXSRBNV-IJLUTSLNSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070643725 135001254 /nfs/dbraw/zinc/00/12/54/135001254.db2.gz HDOHXVDJXSRBNV-IJLUTSLNSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000070643723 135002140 /nfs/dbraw/zinc/00/21/40/135002140.db2.gz HDOHXVDJXSRBNV-GRYCIOLGSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000070643723 135002142 /nfs/dbraw/zinc/00/21/42/135002142.db2.gz HDOHXVDJXSRBNV-GRYCIOLGSA-N 2 2 208.349 2.001 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000248512221 135002824 /nfs/dbraw/zinc/00/28/24/135002824.db2.gz APZPSLSEMUJPGI-TZMCWYRMSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000248512221 135002827 /nfs/dbraw/zinc/00/28/27/135002827.db2.gz APZPSLSEMUJPGI-TZMCWYRMSA-N 2 2 233.359 2.217 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC(C)C)n1 ZINC000070733698 135011938 /nfs/dbraw/zinc/01/19/38/135011938.db2.gz AVBHOORWCBWDNZ-MNOVXSKESA-N 2 2 241.404 2.476 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000248754031 135020159 /nfs/dbraw/zinc/02/01/59/135020159.db2.gz CMKPQSAMIDOCSL-YPMHNXCESA-N 2 2 234.343 2.341 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000248754031 135020160 /nfs/dbraw/zinc/02/01/60/135020160.db2.gz CMKPQSAMIDOCSL-YPMHNXCESA-N 2 2 234.343 2.341 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000248842613 135023674 /nfs/dbraw/zinc/02/36/74/135023674.db2.gz QJJINPRCAGQNNX-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000248842613 135023676 /nfs/dbraw/zinc/02/36/76/135023676.db2.gz QJJINPRCAGQNNX-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000249747292 135044889 /nfs/dbraw/zinc/04/48/89/135044889.db2.gz OKRFTXZTUWJOGG-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000249747292 135044892 /nfs/dbraw/zinc/04/48/92/135044892.db2.gz OKRFTXZTUWJOGG-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000250068899 135048262 /nfs/dbraw/zinc/04/82/62/135048262.db2.gz QZXLSVKTMVDQCF-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000250068899 135048264 /nfs/dbraw/zinc/04/82/64/135048264.db2.gz QZXLSVKTMVDQCF-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000250362312 135052660 /nfs/dbraw/zinc/05/26/60/135052660.db2.gz UFUFZVISLQRVLU-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000250362312 135052662 /nfs/dbraw/zinc/05/26/62/135052662.db2.gz UFUFZVISLQRVLU-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@@H](C)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000251398795 135071554 /nfs/dbraw/zinc/07/15/54/135071554.db2.gz ZKYAMCJDTOCFRP-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000251398795 135071561 /nfs/dbraw/zinc/07/15/61/135071561.db2.gz ZKYAMCJDTOCFRP-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1csc(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)n1 ZINC000086495759 135087464 /nfs/dbraw/zinc/08/74/64/135087464.db2.gz PAKWKENKWHGEBD-KOLCDFICSA-N 2 2 239.388 2.072 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000252715920 135101296 /nfs/dbraw/zinc/10/12/96/135101296.db2.gz XCBZEVOSRPTGEX-DDTOSNHZSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000252715920 135101299 /nfs/dbraw/zinc/10/12/99/135101299.db2.gz XCBZEVOSRPTGEX-DDTOSNHZSA-N 2 2 222.376 2.247 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252772376 135108959 /nfs/dbraw/zinc/10/89/59/135108959.db2.gz VHCSXRXGRHDSBV-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000252772376 135108962 /nfs/dbraw/zinc/10/89/62/135108962.db2.gz VHCSXRXGRHDSBV-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC000252787554 135110177 /nfs/dbraw/zinc/11/01/77/135110177.db2.gz QODVNPOHHQVYKJ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H]1C ZINC000252787554 135110179 /nfs/dbraw/zinc/11/01/79/135110179.db2.gz QODVNPOHHQVYKJ-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000253185813 135122826 /nfs/dbraw/zinc/12/28/26/135122826.db2.gz IJCGIPFSZWGPGO-VXGBXAGGSA-N 2 2 222.332 2.018 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000253185813 135122828 /nfs/dbraw/zinc/12/28/28/135122828.db2.gz IJCGIPFSZWGPGO-VXGBXAGGSA-N 2 2 222.332 2.018 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000253194131 135124212 /nfs/dbraw/zinc/12/42/12/135124212.db2.gz PPBYPKCYUIOCBT-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000253194131 135124213 /nfs/dbraw/zinc/12/42/13/135124213.db2.gz PPBYPKCYUIOCBT-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1coc2ccccc12 ZINC000259979105 135146076 /nfs/dbraw/zinc/14/60/76/135146076.db2.gz IORMGOTUMPFTNS-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1coc2ccccc12 ZINC000259979105 135146078 /nfs/dbraw/zinc/14/60/78/135146078.db2.gz IORMGOTUMPFTNS-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261533576 135165177 /nfs/dbraw/zinc/16/51/77/135165177.db2.gz KZERUORFKKMIPZ-MRVPVSSYSA-N 2 2 230.764 2.182 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261533576 135165178 /nfs/dbraw/zinc/16/51/78/135165178.db2.gz KZERUORFKKMIPZ-MRVPVSSYSA-N 2 2 230.764 2.182 20 0 BEADLP C[C@H]1C[N@H+](CCSc2ccccc2)C[C@H]1[NH3+] ZINC000261534811 135168229 /nfs/dbraw/zinc/16/82/29/135168229.db2.gz UKILRKHRNQTZIN-WCQYABFASA-N 2 2 236.384 2.058 20 0 BEADLP C[C@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1[NH3+] ZINC000261534811 135168231 /nfs/dbraw/zinc/16/82/31/135168231.db2.gz UKILRKHRNQTZIN-WCQYABFASA-N 2 2 236.384 2.058 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(C)o1 ZINC000261534907 135169007 /nfs/dbraw/zinc/16/90/07/135169007.db2.gz NJMBPXOAJLWMKC-SECBINFHSA-N 2 2 210.321 2.284 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000261536679 135172261 /nfs/dbraw/zinc/17/22/61/135172261.db2.gz SLYLHOBMMRBMEM-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC000084149024 135187497 /nfs/dbraw/zinc/18/74/97/135187497.db2.gz SBMCRBWVZPRLBU-LLVKDONJSA-N 2 2 239.388 2.073 20 0 BEADLP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC000084149024 135187500 /nfs/dbraw/zinc/18/75/00/135187500.db2.gz SBMCRBWVZPRLBU-LLVKDONJSA-N 2 2 239.388 2.073 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000261552286 135191467 /nfs/dbraw/zinc/19/14/67/135191467.db2.gz MWCRNPUTCXFLNC-CYBMUJFWSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261553633 135193249 /nfs/dbraw/zinc/19/32/49/135193249.db2.gz AJOMBNPDRSKZPX-DOMZBBRYSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261553633 135193251 /nfs/dbraw/zinc/19/32/51/135193251.db2.gz AJOMBNPDRSKZPX-DOMZBBRYSA-N 2 2 248.345 2.318 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cn[nH]c1 ZINC000261554415 135193931 /nfs/dbraw/zinc/19/39/31/135193931.db2.gz AXXXJVPQINOGHG-HERUPUMHSA-N 2 2 242.326 2.205 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261556961 135196832 /nfs/dbraw/zinc/19/68/32/135196832.db2.gz CITSVWKBOLENLG-IUODEOHRSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261556961 135196833 /nfs/dbraw/zinc/19/68/33/135196833.db2.gz CITSVWKBOLENLG-IUODEOHRSA-N 2 2 248.370 2.395 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261560604 135201064 /nfs/dbraw/zinc/20/10/64/135201064.db2.gz ACTINISEJWCZFH-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261560604 135201066 /nfs/dbraw/zinc/20/10/66/135201066.db2.gz ACTINISEJWCZFH-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000261566173 135208256 /nfs/dbraw/zinc/20/82/56/135208256.db2.gz YSHLUTDYJQVMQJ-GXFFZTMASA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2o1 ZINC000261566173 135208257 /nfs/dbraw/zinc/20/82/57/135208257.db2.gz YSHLUTDYJQVMQJ-GXFFZTMASA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)ccc1F ZINC000261567759 135209622 /nfs/dbraw/zinc/20/96/22/135209622.db2.gz FBHWXKCFERDPSA-MRVPVSSYSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261577296 135218246 /nfs/dbraw/zinc/21/82/46/135218246.db2.gz KXZVZQRRGJLSDK-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261577296 135218248 /nfs/dbraw/zinc/21/82/48/135218248.db2.gz KXZVZQRRGJLSDK-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](CC(C)(C)[NH3+])C2 ZINC000261582588 135223532 /nfs/dbraw/zinc/22/35/32/135223532.db2.gz OMUOJYAAQDOIEC-UHFFFAOYSA-N 2 2 204.317 2.048 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](CC(C)(C)[NH3+])C2 ZINC000261582588 135223534 /nfs/dbraw/zinc/22/35/34/135223534.db2.gz OMUOJYAAQDOIEC-UHFFFAOYSA-N 2 2 204.317 2.048 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1C ZINC000261583089 135224566 /nfs/dbraw/zinc/22/45/66/135224566.db2.gz OWNLIAIBOUQSTH-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1C ZINC000261583089 135224568 /nfs/dbraw/zinc/22/45/68/135224568.db2.gz OWNLIAIBOUQSTH-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C/C=C/c1ccccc1 ZINC000261591090 135232246 /nfs/dbraw/zinc/23/22/46/135232246.db2.gz UYPYBGJOPXZSMI-MZMNXDGSSA-N 2 2 216.328 2.121 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C/C=C/c1ccccc1 ZINC000261591090 135232248 /nfs/dbraw/zinc/23/22/48/135232248.db2.gz UYPYBGJOPXZSMI-MZMNXDGSSA-N 2 2 216.328 2.121 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000261545862 135237711 /nfs/dbraw/zinc/23/77/11/135237711.db2.gz LAJAQQYDPVURAO-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000261545862 135237713 /nfs/dbraw/zinc/23/77/13/135237713.db2.gz LAJAQQYDPVURAO-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC[NH3+])C1 ZINC000261599668 135237866 /nfs/dbraw/zinc/23/78/66/135237866.db2.gz ZWJSLRIBJDBDOU-MFKMUULPSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC[NH3+])C1 ZINC000261599668 135237868 /nfs/dbraw/zinc/23/78/68/135237868.db2.gz ZWJSLRIBJDBDOU-MFKMUULPSA-N 2 2 222.307 2.167 20 0 BEADLP CCc1cccc(F)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261964065 135267254 /nfs/dbraw/zinc/26/72/54/135267254.db2.gz HOEVBLRMYFBDPR-IINYFYTJSA-N 2 2 236.334 2.167 20 0 BEADLP CCc1cccc(F)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261964065 135267255 /nfs/dbraw/zinc/26/72/55/135267255.db2.gz HOEVBLRMYFBDPR-IINYFYTJSA-N 2 2 236.334 2.167 20 0 BEADLP C[NH2+]CC[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000261992465 135270842 /nfs/dbraw/zinc/27/08/42/135270842.db2.gz SMKZDBRPANLBNE-LLVKDONJSA-N 2 2 224.323 2.080 20 0 BEADLP C[NH2+]CC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000261992465 135270844 /nfs/dbraw/zinc/27/08/44/135270844.db2.gz SMKZDBRPANLBNE-LLVKDONJSA-N 2 2 224.323 2.080 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000262034392 135274913 /nfs/dbraw/zinc/27/49/13/135274913.db2.gz XOPCMEYOWYTJTB-GFCCVEGCSA-N 2 2 236.334 2.352 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000262034392 135274914 /nfs/dbraw/zinc/27/49/14/135274914.db2.gz XOPCMEYOWYTJTB-GFCCVEGCSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@@]1(C[N@@H+]2CCc3cccc(F)c3C2)CC[NH2+]C1 ZINC000262057729 135276739 /nfs/dbraw/zinc/27/67/39/135276739.db2.gz QTNWZZLSZBAUMG-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@]1(C[N@H+]2CCc3cccc(F)c3C2)CC[NH2+]C1 ZINC000262057729 135276741 /nfs/dbraw/zinc/27/67/41/135276741.db2.gz QTNWZZLSZBAUMG-OAHLLOKOSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(F)c(Cl)c1 ZINC000262065076 135277311 /nfs/dbraw/zinc/27/73/11/135277311.db2.gz JMDGYBIHCSYRHO-SCZZXKLOSA-N 2 2 242.725 2.492 20 0 BEADLP CCc1oc2ccccc2c1C[N@H+](C)CC[NH3+] ZINC000263034822 135327959 /nfs/dbraw/zinc/32/79/59/135327959.db2.gz SEJPBEWKHZLYGZ-UHFFFAOYSA-N 2 2 232.327 2.386 20 0 BEADLP CCc1oc2ccccc2c1C[N@@H+](C)CC[NH3+] ZINC000263034822 135327960 /nfs/dbraw/zinc/32/79/60/135327960.db2.gz SEJPBEWKHZLYGZ-UHFFFAOYSA-N 2 2 232.327 2.386 20 0 BEADLP Cc1cc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc[nH+]1 ZINC000263079298 135331340 /nfs/dbraw/zinc/33/13/40/135331340.db2.gz XJABYFRCFZNTDT-GXTWGEPZSA-N 2 2 247.342 2.236 20 0 BEADLP [NH3+]CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000263103698 135332350 /nfs/dbraw/zinc/33/23/50/135332350.db2.gz ZQNJXCMEEIAQTF-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+]CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000263103698 135332352 /nfs/dbraw/zinc/33/23/52/135332352.db2.gz ZQNJXCMEEIAQTF-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP CC1CCC(OC2CC[NH+](CC[NH3+])CC2)CC1 ZINC000263098514 135332759 /nfs/dbraw/zinc/33/27/59/135332759.db2.gz ZEKNHDWHWZZYTP-UHFFFAOYSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000342948003 135337989 /nfs/dbraw/zinc/33/79/89/135337989.db2.gz UTSUCKLFIHSRAX-UKRRQHHQSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000342948003 135337990 /nfs/dbraw/zinc/33/79/90/135337990.db2.gz UTSUCKLFIHSRAX-UKRRQHHQSA-N 2 2 232.371 2.159 20 0 BEADLP Cc1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)[nH+]1 ZINC000274648312 135366934 /nfs/dbraw/zinc/36/69/34/135366934.db2.gz MRVMFQIXTSOBHW-ZDUSSCGKSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cccc(N2CC[N@H+]3CCCC[C@H]3C2)[nH+]1 ZINC000274648312 135366936 /nfs/dbraw/zinc/36/69/36/135366936.db2.gz MRVMFQIXTSOBHW-ZDUSSCGKSA-N 2 2 231.343 2.065 20 0 BEADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725316 135494963 /nfs/dbraw/zinc/49/49/63/135494963.db2.gz ZGIBSIVMHHFKGV-OCCSQVGLSA-N 2 2 216.328 2.016 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000086729313 135495582 /nfs/dbraw/zinc/49/55/82/135495582.db2.gz PKQKOOQFJSYBNY-UWVGGRQHSA-N 2 2 210.346 2.069 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334861766 135826391 /nfs/dbraw/zinc/82/63/91/135826391.db2.gz GYMASLXZKMRNPQ-TVQRCGJNSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])c[nH+]1 ZINC000335049154 135873637 /nfs/dbraw/zinc/87/36/37/135873637.db2.gz JNEVMNJKXXULMC-STQMWFEESA-N 2 2 219.332 2.462 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000335283652 136001763 /nfs/dbraw/zinc/00/17/63/136001763.db2.gz FCSDLSLHZQSNJQ-WDEREUQCSA-N 2 2 231.299 2.142 20 0 BEADLP Cc1cccn2c(C[NH2+][C@H]3CC34CC4)c[nH+]c12 ZINC000335284390 136001867 /nfs/dbraw/zinc/00/18/67/136001867.db2.gz ABCCNZSUUUKBTP-LBPRGKRZSA-N 2 2 227.311 2.285 20 0 BEADLP CC(C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347655925 136001962 /nfs/dbraw/zinc/00/19/62/136001962.db2.gz RYNNIMSRCOJKLD-UHFFFAOYSA-N 2 2 227.377 2.045 20 0 BEADLP CC(C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347655925 136001963 /nfs/dbraw/zinc/00/19/63/136001963.db2.gz RYNNIMSRCOJKLD-UHFFFAOYSA-N 2 2 227.377 2.045 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)CC1CCCC1 ZINC000347738836 136004949 /nfs/dbraw/zinc/00/49/49/136004949.db2.gz RLIXIYDJKXPAEN-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1CCCC1 ZINC000347738836 136004950 /nfs/dbraw/zinc/00/49/50/136004950.db2.gz RLIXIYDJKXPAEN-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cc1cc[nH+]c(NCCNc2cccc[nH+]2)c1 ZINC000347754842 136011622 /nfs/dbraw/zinc/01/16/22/136011622.db2.gz OKSIJJNUTXBTGO-UHFFFAOYSA-N 2 2 228.299 2.309 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152313 136040113 /nfs/dbraw/zinc/04/01/13/136040113.db2.gz CGJOCRSQKPRJAJ-TZMCWYRMSA-N 2 2 248.374 2.031 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152313 136040114 /nfs/dbraw/zinc/04/01/14/136040114.db2.gz CGJOCRSQKPRJAJ-TZMCWYRMSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152313 136040115 /nfs/dbraw/zinc/04/01/15/136040115.db2.gz CGJOCRSQKPRJAJ-TZMCWYRMSA-N 2 2 248.374 2.031 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348152313 136040116 /nfs/dbraw/zinc/04/01/16/136040116.db2.gz CGJOCRSQKPRJAJ-TZMCWYRMSA-N 2 2 248.374 2.031 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000348188332 136048708 /nfs/dbraw/zinc/04/87/08/136048708.db2.gz SMESJMCEBVCYQH-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000348188332 136048709 /nfs/dbraw/zinc/04/87/09/136048709.db2.gz SMESJMCEBVCYQH-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000348256637 136057865 /nfs/dbraw/zinc/05/78/65/136057865.db2.gz WTSJGCOBGQLSGY-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000348256637 136057866 /nfs/dbraw/zinc/05/78/66/136057866.db2.gz WTSJGCOBGQLSGY-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP c1cn(CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000348316040 136068340 /nfs/dbraw/zinc/06/83/40/136068340.db2.gz FZBMCTYYGOBEKK-HUUCEWRRSA-N 2 2 241.338 2.276 20 0 BEADLP c1cn(CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000348316039 136068357 /nfs/dbraw/zinc/06/83/57/136068357.db2.gz FZBMCTYYGOBEKK-GJZGRUSLSA-N 2 2 241.338 2.276 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC000647540228 397782228 /nfs/dbraw/zinc/78/22/28/397782228.db2.gz CCAVDUCHUHAOAD-MQYQWHSLSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC000647540228 397782229 /nfs/dbraw/zinc/78/22/29/397782229.db2.gz CCAVDUCHUHAOAD-MQYQWHSLSA-N 2 2 242.382 2.445 20 0 BEADLP CC(C)(C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376717086 397791437 /nfs/dbraw/zinc/79/14/37/397791437.db2.gz PRKIJGHBCZXQBR-UHFFFAOYSA-N 2 2 221.348 2.355 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccsc1)CC2 ZINC000309534282 397861770 /nfs/dbraw/zinc/86/17/70/397861770.db2.gz DYTUOAPUZXTEFQ-LLVKDONJSA-N 2 2 233.340 2.049 20 0 BEADLP CCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182674314 397862743 /nfs/dbraw/zinc/86/27/43/397862743.db2.gz IDAWCWNONGAHHN-LBPRGKRZSA-N 2 2 209.337 2.394 20 0 BEADLP CCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182674314 397862747 /nfs/dbraw/zinc/86/27/47/397862747.db2.gz IDAWCWNONGAHHN-LBPRGKRZSA-N 2 2 209.337 2.394 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000643537750 397918670 /nfs/dbraw/zinc/91/86/70/397918670.db2.gz PTYHNUACWMVBBW-VWYCJHECSA-N 2 2 242.363 2.407 20 0 BEADLP CSCC[C@@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000156884150 397926890 /nfs/dbraw/zinc/92/68/90/397926890.db2.gz LRWLZNCTLIGIJL-LLVKDONJSA-N 2 2 232.437 2.448 20 0 BEADLP CSCC[C@@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000156884150 397926893 /nfs/dbraw/zinc/92/68/93/397926893.db2.gz LRWLZNCTLIGIJL-LLVKDONJSA-N 2 2 232.437 2.448 20 0 BEADLP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCC[N@@H+]1C ZINC000309090942 397994571 /nfs/dbraw/zinc/99/45/71/397994571.db2.gz BEQRFHPLZDKSIE-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCC[N@H+]1C ZINC000309090942 397994576 /nfs/dbraw/zinc/99/45/76/397994576.db2.gz BEQRFHPLZDKSIE-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649624216 398005148 /nfs/dbraw/zinc/00/51/48/398005148.db2.gz VNCVDUCUOADGLX-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649624216 398005150 /nfs/dbraw/zinc/00/51/50/398005150.db2.gz VNCVDUCUOADGLX-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000034958081 398017768 /nfs/dbraw/zinc/01/77/68/398017768.db2.gz JYQMRSMEZURZNX-GFCCVEGCSA-N 2 2 209.337 2.297 20 0 BEADLP CCc1cccc(F)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000414764816 398027996 /nfs/dbraw/zinc/02/79/96/398027996.db2.gz BBMXEJNNDAPCSY-UHFFFAOYSA-N 2 2 236.334 2.310 20 0 BEADLP CCc1cccc(F)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414764816 398027998 /nfs/dbraw/zinc/02/79/98/398027998.db2.gz BBMXEJNNDAPCSY-UHFFFAOYSA-N 2 2 236.334 2.310 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414763655 398028519 /nfs/dbraw/zinc/02/85/19/398028519.db2.gz CWFFSECNHGRQAK-JSGCOSHPSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414763655 398028524 /nfs/dbraw/zinc/02/85/24/398028524.db2.gz CWFFSECNHGRQAK-JSGCOSHPSA-N 2 2 248.370 2.395 20 0 BEADLP CCc1oc2ccccc2c1C[NH2+]CC[NH2+]C ZINC000414817959 398042257 /nfs/dbraw/zinc/04/22/57/398042257.db2.gz CDGYMMZFWVNJPJ-UHFFFAOYSA-N 2 2 232.327 2.304 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000418114550 397981740 /nfs/dbraw/zinc/98/17/40/397981740.db2.gz MCRHQCAPVXSCFS-CABCVRRESA-N 2 2 244.382 2.474 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCSCC1 ZINC000336735268 398063407 /nfs/dbraw/zinc/06/34/07/398063407.db2.gz HYOOZTUKNAQNJM-LLVKDONJSA-N 2 2 244.448 2.448 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)o1 ZINC000051724205 398058699 /nfs/dbraw/zinc/05/86/99/398058699.db2.gz IOASZALVRYEQKK-LBPRGKRZSA-N 2 2 236.359 2.273 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)o1 ZINC000051724205 398058701 /nfs/dbraw/zinc/05/87/01/398058701.db2.gz IOASZALVRYEQKK-LBPRGKRZSA-N 2 2 236.359 2.273 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000238857308 171296180 /nfs/dbraw/zinc/29/61/80/171296180.db2.gz YTZGWYJAGBGQIG-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000238857308 171296181 /nfs/dbraw/zinc/29/61/81/171296181.db2.gz YTZGWYJAGBGQIG-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000061983945 398110610 /nfs/dbraw/zinc/11/06/10/398110610.db2.gz FTMYBEWSBZMCHP-HNNXBMFYSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000061983945 398110612 /nfs/dbraw/zinc/11/06/12/398110612.db2.gz FTMYBEWSBZMCHP-HNNXBMFYSA-N 2 2 244.382 2.364 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+]C1(C2CCC2)CC1 ZINC000649808489 398115057 /nfs/dbraw/zinc/11/50/57/398115057.db2.gz GMWNDWZKNLDXFP-UHFFFAOYSA-N 2 2 222.376 2.395 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397954498 398125179 /nfs/dbraw/zinc/12/51/79/398125179.db2.gz DKNPWBGIMXJGNF-GFCCVEGCSA-N 2 2 248.370 2.007 20 0 BEADLP CCS[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000286377127 398132398 /nfs/dbraw/zinc/13/23/98/398132398.db2.gz YXFZPYQZLLIKOB-QWRGUYRKSA-N 2 2 225.361 2.174 20 0 BEADLP c1ccc2c(c1)CCC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC000062944711 1172791483 /nfs/dbraw/zinc/79/14/83/1172791483.db2.gz XYEYHXDGHGQVOS-OAHLLOKOSA-N 2 2 230.355 2.187 20 0 BEADLP c1ccc2c(c1)CCC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC000062944711 1172791489 /nfs/dbraw/zinc/79/14/89/1172791489.db2.gz XYEYHXDGHGQVOS-OAHLLOKOSA-N 2 2 230.355 2.187 20 0 BEADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000258909727 322878403 /nfs/dbraw/zinc/87/84/03/322878403.db2.gz NECPRQQIENLMKA-OAHLLOKOSA-N 2 2 232.371 2.453 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000382006399 487529275 /nfs/dbraw/zinc/52/92/75/487529275.db2.gz BCRKPFSQKWTZCY-AGIUHOORSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000324366760 487583863 /nfs/dbraw/zinc/58/38/63/487583863.db2.gz WWMIKJVWKXGUES-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)C2CC2)C1 ZINC000324366760 487583869 /nfs/dbraw/zinc/58/38/69/487583869.db2.gz WWMIKJVWKXGUES-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000324366768 487584093 /nfs/dbraw/zinc/58/40/93/487584093.db2.gz WWMIKJVWKXGUES-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000324366768 487584100 /nfs/dbraw/zinc/58/41/00/487584100.db2.gz WWMIKJVWKXGUES-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)[NH+](C)C ZINC000086934631 487590388 /nfs/dbraw/zinc/59/03/88/487590388.db2.gz CSILGQYURRGYPS-RWMBFGLXSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)[NH+](C)C ZINC000086934633 487590727 /nfs/dbraw/zinc/59/07/27/487590727.db2.gz CSILGQYURRGYPS-YNEHKIRRSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1(C)C ZINC000361239538 167281763 /nfs/dbraw/zinc/28/17/63/167281763.db2.gz VOJPPANYXHVGBI-JHJVBQTASA-N 2 2 242.407 2.118 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000308946996 487597040 /nfs/dbraw/zinc/59/70/40/487597040.db2.gz OBNWUSDTIJSFMJ-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000308946996 487597043 /nfs/dbraw/zinc/59/70/43/487597043.db2.gz OBNWUSDTIJSFMJ-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCCCO1 ZINC000653873142 487599824 /nfs/dbraw/zinc/59/98/24/487599824.db2.gz KPLCCZXRCMFBDN-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCCCO1 ZINC000653873142 487599827 /nfs/dbraw/zinc/59/98/27/487599827.db2.gz KPLCCZXRCMFBDN-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H]([NH2+]CCC[NH+](C)C)c1ccccn1 ZINC000158455341 322921719 /nfs/dbraw/zinc/92/17/19/322921719.db2.gz YANMBOXKNFBTKM-CYBMUJFWSA-N 2 2 235.375 2.464 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662241498 409529891 /nfs/dbraw/zinc/52/98/91/409529891.db2.gz SVVNVBBRAKCRQS-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662241498 409529899 /nfs/dbraw/zinc/52/98/99/409529899.db2.gz SVVNVBBRAKCRQS-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CCc1cccc(C[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662305227 409628409 /nfs/dbraw/zinc/62/84/09/409628409.db2.gz FAYWCHCGILDMLL-UHFFFAOYSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662305227 409628414 /nfs/dbraw/zinc/62/84/14/409628414.db2.gz FAYWCHCGILDMLL-UHFFFAOYSA-N 2 2 230.355 2.172 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)C(C)(C)C ZINC000308839765 409909885 /nfs/dbraw/zinc/90/98/85/409909885.db2.gz YDDJHKAXMUKQCY-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)C(C)(C)C ZINC000308839765 409909892 /nfs/dbraw/zinc/90/98/92/409909892.db2.gz YDDJHKAXMUKQCY-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000396503015 487613683 /nfs/dbraw/zinc/61/36/83/487613683.db2.gz KSJPKFKTMISRCY-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000396503015 487613692 /nfs/dbraw/zinc/61/36/92/487613692.db2.gz KSJPKFKTMISRCY-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC23CC(C2)C[NH2+]3)s1 ZINC000634992508 410330774 /nfs/dbraw/zinc/33/07/74/410330774.db2.gz RITPPXHBSLXQLK-UHFFFAOYSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+](C)CC23CC(C2)C[NH2+]3)s1 ZINC000634992508 410330782 /nfs/dbraw/zinc/33/07/82/410330782.db2.gz RITPPXHBSLXQLK-UHFFFAOYSA-N 2 2 236.384 2.240 20 0 BEADLP c1cc2c(c(C[NH2+][C@@H]3CCC[NH2+]C3)c1)CCC2 ZINC000650703540 410333620 /nfs/dbraw/zinc/33/36/20/410333620.db2.gz FSEJJKLLVOUDDG-CQSZACIVSA-N 2 2 230.355 2.017 20 0 BEADLP CC[C@@H](OCC[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000650710618 410339505 /nfs/dbraw/zinc/33/95/05/410339505.db2.gz UOFMYXKAOXDTFV-HUUCEWRRSA-N 2 2 248.370 2.106 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2nc(C)cs2)CC[C@@H]1[NH3+] ZINC000122861510 410294784 /nfs/dbraw/zinc/29/47/84/410294784.db2.gz PTEAJXYJZKKBEW-MNOVXSKESA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2nc(C)cs2)CC[C@@H]1[NH3+] ZINC000122861510 410294788 /nfs/dbraw/zinc/29/47/88/410294788.db2.gz PTEAJXYJZKKBEW-MNOVXSKESA-N 2 2 239.388 2.011 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650725149 410361556 /nfs/dbraw/zinc/36/15/56/410361556.db2.gz UMJPKUIHGAWZDU-LLVKDONJSA-N 2 2 232.318 2.106 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000650725149 410361559 /nfs/dbraw/zinc/36/15/59/410361559.db2.gz UMJPKUIHGAWZDU-LLVKDONJSA-N 2 2 232.318 2.106 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650725150 410361769 /nfs/dbraw/zinc/36/17/69/410361769.db2.gz UMJPKUIHGAWZDU-NSHDSACASA-N 2 2 232.318 2.106 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000650725150 410361772 /nfs/dbraw/zinc/36/17/72/410361772.db2.gz UMJPKUIHGAWZDU-NSHDSACASA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000665295564 410792943 /nfs/dbraw/zinc/79/29/43/410792943.db2.gz GCGBHUBOEQLIAQ-IINYFYTJSA-N 2 2 236.334 2.474 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000665295714 410796075 /nfs/dbraw/zinc/79/60/75/410796075.db2.gz IBNILRZKMKQYKJ-TVQRCGJNSA-N 2 2 222.307 2.011 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000039149922 410803490 /nfs/dbraw/zinc/80/34/90/410803490.db2.gz BCPISLXKIKVBAS-GXTWGEPZSA-N 2 2 218.344 2.479 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000665296153 410804857 /nfs/dbraw/zinc/80/48/57/410804857.db2.gz NNQJHJSHGKZRGS-TZMCWYRMSA-N 2 2 248.370 2.406 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000665296426 410811954 /nfs/dbraw/zinc/81/19/54/410811954.db2.gz SIPLPYJWEMDOQT-VHSXEESVSA-N 2 2 238.400 2.495 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)oc1C ZINC000665296637 410813743 /nfs/dbraw/zinc/81/37/43/410813743.db2.gz VTCUDTPBMZISQB-PSASIEDQSA-N 2 2 210.321 2.155 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000665298708 410829007 /nfs/dbraw/zinc/82/90/07/410829007.db2.gz ZYSYKXJWYHVWSG-WDEREUQCSA-N 2 2 238.379 2.031 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000665298497 410832279 /nfs/dbraw/zinc/83/22/79/410832279.db2.gz XAHLJSWPYJFIFW-SMDDNHRTSA-N 2 2 233.359 2.120 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000651179488 410849621 /nfs/dbraw/zinc/84/96/21/410849621.db2.gz URQQFJRXENGEDZ-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000665297770 410819837 /nfs/dbraw/zinc/81/98/37/410819837.db2.gz LJVPJURXHBQLFF-COPLHBTASA-N 2 2 218.344 2.432 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](CCc2ccccn2)CC1 ZINC000108370487 167095146 /nfs/dbraw/zinc/09/51/46/167095146.db2.gz ZTWVXAKGRHJYTL-UHFFFAOYSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419062 167113939 /nfs/dbraw/zinc/11/39/39/167113939.db2.gz RDPWWFYSNVFSAI-ZDUSSCGKSA-N 2 2 232.371 2.431 20 0 BEADLP CC(C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419062 167113941 /nfs/dbraw/zinc/11/39/41/167113941.db2.gz RDPWWFYSNVFSAI-ZDUSSCGKSA-N 2 2 232.371 2.431 20 0 BEADLP CC(C)[NH2+]c1ccc(OCC[NH+](C)C)cc1 ZINC000037774242 167146691 /nfs/dbraw/zinc/14/66/91/167146691.db2.gz JPQLVHYGMAUMHL-UHFFFAOYSA-N 2 2 222.332 2.447 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000122468353 167382207 /nfs/dbraw/zinc/38/22/07/167382207.db2.gz IOBAHQJLKVAGIZ-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153922 167386220 /nfs/dbraw/zinc/38/62/20/167386220.db2.gz WLPKXPZAPFMOHK-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C1(CO)CCCCC1 ZINC000397529323 410925915 /nfs/dbraw/zinc/92/59/15/410925915.db2.gz KDQAHGJYYZFBPF-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000651668293 411134218 /nfs/dbraw/zinc/13/42/18/411134218.db2.gz FRNMCEBBHKKHGJ-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP COC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000354508357 411140391 /nfs/dbraw/zinc/14/03/91/411140391.db2.gz SJYMTFRNHANBNC-OAHLLOKOSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1C)[NH+](C)C ZINC000651751905 411141790 /nfs/dbraw/zinc/14/17/90/411141790.db2.gz MEVSKIHYVIXUEU-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000657898867 411159749 /nfs/dbraw/zinc/15/97/49/411159749.db2.gz GMQJILABROGVTP-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCSCC2)C1 ZINC000657898867 411159753 /nfs/dbraw/zinc/15/97/53/411159753.db2.gz GMQJILABROGVTP-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)CCO)c[nH+]1 ZINC000652049196 411096317 /nfs/dbraw/zinc/09/63/17/411096317.db2.gz BJAJMELHMZYYME-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)CCO)c[nH+]1 ZINC000652049196 411096320 /nfs/dbraw/zinc/09/63/20/411096320.db2.gz BJAJMELHMZYYME-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000401031732 411173398 /nfs/dbraw/zinc/17/33/98/411173398.db2.gz PWRXBJNXDLKTTG-YNEHKIRRSA-N 2 2 231.343 2.190 20 0 BEADLP Cc1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000401031730 411173689 /nfs/dbraw/zinc/17/36/89/411173689.db2.gz PWRXBJNXDLKTTG-JHJVBQTASA-N 2 2 231.343 2.190 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658093567 411242924 /nfs/dbraw/zinc/24/29/24/411242924.db2.gz VLEDWEFWXRRCDO-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658093567 411242925 /nfs/dbraw/zinc/24/29/25/411242925.db2.gz VLEDWEFWXRRCDO-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000658094723 411242997 /nfs/dbraw/zinc/24/29/97/411242997.db2.gz ALFUULAALSIEQZ-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000658094723 411243002 /nfs/dbraw/zinc/24/30/02/411243002.db2.gz ALFUULAALSIEQZ-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+](CCNc1nc(C)[nH+]cc1C)C(C)C ZINC000656117357 411181410 /nfs/dbraw/zinc/18/14/10/411181410.db2.gz OVAZFDBJZHRNJG-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP CC[N@@H+](CCNc1nc(C)[nH+]cc1C)C(C)C ZINC000656117357 411181411 /nfs/dbraw/zinc/18/14/11/411181411.db2.gz OVAZFDBJZHRNJG-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)CS1 ZINC000655758115 411188733 /nfs/dbraw/zinc/18/87/33/411188733.db2.gz QWNHXIPLVDKMHX-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CCc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC000049961440 411248289 /nfs/dbraw/zinc/24/82/89/411248289.db2.gz NDLWBLBDMMCNBZ-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP CCc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC000049961440 411248291 /nfs/dbraw/zinc/24/82/91/411248291.db2.gz NDLWBLBDMMCNBZ-UHFFFAOYSA-N 2 2 206.333 2.030 20 0 BEADLP COc1ccc2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000656193380 411198113 /nfs/dbraw/zinc/19/81/13/411198113.db2.gz IULDGFPOBVONEV-OAHLLOKOSA-N 2 2 246.354 2.010 20 0 BEADLP COc1ccc2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000656193380 411198116 /nfs/dbraw/zinc/19/81/16/411198116.db2.gz IULDGFPOBVONEV-OAHLLOKOSA-N 2 2 246.354 2.010 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655683974 411225648 /nfs/dbraw/zinc/22/56/48/411225648.db2.gz KLBWXUBOPFDPIN-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000658059861 411227024 /nfs/dbraw/zinc/22/70/24/411227024.db2.gz XXSFAHPZLYEBRM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000658059861 411227027 /nfs/dbraw/zinc/22/70/27/411227027.db2.gz XXSFAHPZLYEBRM-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COc1cc([C@H](C)[NH2+]CC[NH3+])ccc1SC ZINC000423193684 411237704 /nfs/dbraw/zinc/23/77/04/411237704.db2.gz VVOKPQIWEALVPL-VIFPVBQESA-N 2 2 240.372 2.026 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(OCC[NH+](C)C)cc1 ZINC000656371710 411238024 /nfs/dbraw/zinc/23/80/24/411238024.db2.gz QFPKRKZVVOCOFQ-UHFFFAOYSA-N 2 2 245.326 2.028 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000111380907 411167294 /nfs/dbraw/zinc/16/72/94/411167294.db2.gz FEHKHSAKYNROAK-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000111380907 411167295 /nfs/dbraw/zinc/16/72/95/411167295.db2.gz FEHKHSAKYNROAK-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP COCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658239483 411308183 /nfs/dbraw/zinc/30/81/83/411308183.db2.gz DHGWWPPZCJJLPC-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCSC1 ZINC000658243303 411310745 /nfs/dbraw/zinc/31/07/45/411310745.db2.gz ZXMCWIWDKYKPHW-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCCOC(C)(C)C ZINC000656614334 411311405 /nfs/dbraw/zinc/31/14/05/411311405.db2.gz MMRLXRZCTBJOCV-UHFFFAOYSA-N 2 2 230.396 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000658283840 411322303 /nfs/dbraw/zinc/32/23/03/411322303.db2.gz DFDDOBPNFGSPSA-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000658283840 411322307 /nfs/dbraw/zinc/32/23/07/411322307.db2.gz DFDDOBPNFGSPSA-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000658283833 411322996 /nfs/dbraw/zinc/32/29/96/411322996.db2.gz DFDDOBPNFGSPSA-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000658283833 411323000 /nfs/dbraw/zinc/32/30/00/411323000.db2.gz DFDDOBPNFGSPSA-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658287506 411323702 /nfs/dbraw/zinc/32/37/02/411323702.db2.gz ZKVZSAFQNLLGAM-REWJHTLYSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658287506 411323705 /nfs/dbraw/zinc/32/37/05/411323705.db2.gz ZKVZSAFQNLLGAM-REWJHTLYSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000658286931 411323753 /nfs/dbraw/zinc/32/37/53/411323753.db2.gz WLSYFDKJSAMLMU-LLVKDONJSA-N 2 2 246.345 2.148 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000658286931 411323755 /nfs/dbraw/zinc/32/37/55/411323755.db2.gz WLSYFDKJSAMLMU-LLVKDONJSA-N 2 2 246.345 2.148 20 0 BEADLP CC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000658119305 411250141 /nfs/dbraw/zinc/25/01/41/411250141.db2.gz DOUNUBQZBPGIDQ-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000658119305 411250143 /nfs/dbraw/zinc/25/01/43/411250143.db2.gz DOUNUBQZBPGIDQ-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000130516606 411358848 /nfs/dbraw/zinc/35/88/48/411358848.db2.gz KOLXMKDMRRWYAG-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000130516606 411358851 /nfs/dbraw/zinc/35/88/51/411358851.db2.gz KOLXMKDMRRWYAG-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP CCOc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000656783960 411360946 /nfs/dbraw/zinc/36/09/46/411360946.db2.gz WXGILDONJGRHCF-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP CCOc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000656783960 411360949 /nfs/dbraw/zinc/36/09/49/411360949.db2.gz WXGILDONJGRHCF-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656786370 411365901 /nfs/dbraw/zinc/36/59/01/411365901.db2.gz XZEIDINGNHDUBB-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656786370 411365902 /nfs/dbraw/zinc/36/59/02/411365902.db2.gz XZEIDINGNHDUBB-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000656787945 411368154 /nfs/dbraw/zinc/36/81/54/411368154.db2.gz CPKWKGFCIUFJJW-ZDUSSCGKSA-N 2 2 216.328 2.016 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000336781886 168111907 /nfs/dbraw/zinc/11/19/07/168111907.db2.gz WAARNZCJJASEKJ-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000336781886 168111910 /nfs/dbraw/zinc/11/19/10/168111910.db2.gz WAARNZCJJASEKJ-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)C2CCC2)CC1 ZINC000336748589 168112117 /nfs/dbraw/zinc/11/21/17/168112117.db2.gz SSQVQLMCYBXXTP-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)C2CCC2)CC1 ZINC000336748589 168112120 /nfs/dbraw/zinc/11/21/20/168112120.db2.gz SSQVQLMCYBXXTP-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000336758720 168113297 /nfs/dbraw/zinc/11/32/97/168113297.db2.gz ZQBIUESIYIZCRH-BFHYXJOUSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000336758720 168113299 /nfs/dbraw/zinc/11/32/99/168113299.db2.gz ZQBIUESIYIZCRH-BFHYXJOUSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336472098 168119730 /nfs/dbraw/zinc/11/97/30/168119730.db2.gz CEDNCLHZJMXDJW-CHWSQXEVSA-N 2 2 231.343 2.286 20 0 BEADLP CC1CC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000336726141 168145612 /nfs/dbraw/zinc/14/56/12/168145612.db2.gz BOTPEPJNWCTDGK-ORHYLEIMSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000336726141 168145614 /nfs/dbraw/zinc/14/56/14/168145614.db2.gz BOTPEPJNWCTDGK-ORHYLEIMSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CCC([NH2+]CCc2[nH+]ccn2C)CC1 ZINC000040638552 168162896 /nfs/dbraw/zinc/16/28/96/168162896.db2.gz JVRFXTYXLDJDIF-UHFFFAOYSA-N 2 2 221.348 2.131 20 0 BEADLP CC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683913 168165090 /nfs/dbraw/zinc/16/50/90/168165090.db2.gz YDWQNCSXFIYZBQ-BPCQOVAHSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683913 168165093 /nfs/dbraw/zinc/16/50/93/168165093.db2.gz YDWQNCSXFIYZBQ-BPCQOVAHSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000336751637 168165683 /nfs/dbraw/zinc/16/56/83/168165683.db2.gz GODSGZHAAVXPRL-KPFVRQRISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000336751637 168165684 /nfs/dbraw/zinc/16/56/84/168165684.db2.gz GODSGZHAAVXPRL-KPFVRQRISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)[C@@H]1C ZINC000336649261 168181918 /nfs/dbraw/zinc/18/19/18/168181918.db2.gz DCOLFNSXWQFQQE-MGPQQGTHSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000309778677 168186356 /nfs/dbraw/zinc/18/63/56/168186356.db2.gz QLLZJJUXLYHRDC-MJBXVCDLSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344960 411391980 /nfs/dbraw/zinc/39/19/80/411391980.db2.gz VPCWEYBKJOFAEH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344960 411391983 /nfs/dbraw/zinc/39/19/83/411391983.db2.gz VPCWEYBKJOFAEH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)n1C ZINC000657300105 411455783 /nfs/dbraw/zinc/45/57/83/411455783.db2.gz IIGHGXPDNJQTPI-ZYHUDNBSSA-N 2 2 221.348 2.397 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccsc2)n1C ZINC000657309574 411459288 /nfs/dbraw/zinc/45/92/88/411459288.db2.gz GNBLJUSVYBTONB-UHFFFAOYSA-N 2 2 221.329 2.080 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2nccs2)[C@H]1CC[NH3+] ZINC000404403911 411394323 /nfs/dbraw/zinc/39/43/23/411394323.db2.gz SYLNTTJOBFVCPV-QWRGUYRKSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2nccs2)[C@H]1CC[NH3+] ZINC000404403911 411394326 /nfs/dbraw/zinc/39/43/26/411394326.db2.gz SYLNTTJOBFVCPV-QWRGUYRKSA-N 2 2 239.388 2.092 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070359360 411411736 /nfs/dbraw/zinc/41/17/36/411411736.db2.gz GPUBIGUXCZIKMP-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070359360 411411739 /nfs/dbraw/zinc/41/17/39/411411739.db2.gz GPUBIGUXCZIKMP-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(CC[NH+](C)C)cc1 ZINC000653510208 411415733 /nfs/dbraw/zinc/41/57/33/411415733.db2.gz RCXSXRPSOLPYEX-UHFFFAOYSA-N 2 2 229.327 2.191 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000653590261 411425906 /nfs/dbraw/zinc/42/59/06/411425906.db2.gz WPBLLEVMBFNIBY-ZDUSSCGKSA-N 2 2 231.343 2.320 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000653590261 411425909 /nfs/dbraw/zinc/42/59/09/411425909.db2.gz WPBLLEVMBFNIBY-ZDUSSCGKSA-N 2 2 231.343 2.320 20 0 BEADLP CCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285220 411443233 /nfs/dbraw/zinc/44/32/33/411443233.db2.gz ZETIOEJEGQJYAB-SNVBAGLBSA-N 2 2 207.321 2.108 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccn1 ZINC000657286609 411445326 /nfs/dbraw/zinc/44/53/26/411445326.db2.gz ANCQFUTXGPRFAA-NSHDSACASA-N 2 2 242.326 2.075 20 0 BEADLP CC[NH2+]CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414831484 411449687 /nfs/dbraw/zinc/44/96/87/411449687.db2.gz PRYGYNQNBLUNJN-ARJAWSKDSA-N 2 2 222.307 2.038 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2cccc(F)c2)n1C ZINC000657296841 411453975 /nfs/dbraw/zinc/45/39/75/411453975.db2.gz IQLVTBUEOXCRDD-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347833 411474787 /nfs/dbraw/zinc/47/47/87/411474787.db2.gz GQIUXJHTFIUHML-RFQIPJPRSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657347833 411474791 /nfs/dbraw/zinc/47/47/91/411474791.db2.gz GQIUXJHTFIUHML-RFQIPJPRSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2Cc3ccccc32)n1C ZINC000657347485 411475029 /nfs/dbraw/zinc/47/50/29/411475029.db2.gz UEKWJELMVRVCQY-CYBMUJFWSA-N 2 2 241.338 2.158 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000414978520 411477959 /nfs/dbraw/zinc/47/79/59/411477959.db2.gz MDTJJCHNLORRHK-JTQLQIEISA-N 2 2 230.714 2.306 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CCCC1CC1)CCC2 ZINC000657366132 411480967 /nfs/dbraw/zinc/48/09/67/411480967.db2.gz FMFXQSIDKITGDU-UHFFFAOYSA-N 2 2 219.332 2.109 20 0 BEADLP CC1(C)C[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CO1 ZINC000659882692 411490089 /nfs/dbraw/zinc/49/00/89/411490089.db2.gz LJZDGWYWOOPSJH-STQMWFEESA-N 2 2 249.358 2.088 20 0 BEADLP CC1(C)C[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CO1 ZINC000659882692 411490094 /nfs/dbraw/zinc/49/00/94/411490094.db2.gz LJZDGWYWOOPSJH-STQMWFEESA-N 2 2 249.358 2.088 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cnccc2C)n1C ZINC000657425686 411504796 /nfs/dbraw/zinc/50/47/96/411504796.db2.gz SEQVLBWXNUCYEZ-NSHDSACASA-N 2 2 244.342 2.283 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)co1 ZINC000660076952 411534532 /nfs/dbraw/zinc/53/45/32/411534532.db2.gz METOKXGSRWPQMN-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)co1 ZINC000660076952 411534534 /nfs/dbraw/zinc/53/45/34/411534534.db2.gz METOKXGSRWPQMN-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC13CCCC3)CCC2 ZINC000657449349 411511382 /nfs/dbraw/zinc/51/13/82/411511382.db2.gz VKKWWBKSKCBYNJ-GFCCVEGCSA-N 2 2 231.343 2.252 20 0 BEADLP Cc1occc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657325081 411465231 /nfs/dbraw/zinc/46/52/31/411465231.db2.gz AFBIIEJRZJNTRS-UHFFFAOYSA-N 2 2 231.299 2.021 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000328151193 170014293 /nfs/dbraw/zinc/01/42/93/170014293.db2.gz DNYAIWNWCCHJPY-DGCLKSJQSA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000328151193 170014294 /nfs/dbraw/zinc/01/42/94/170014294.db2.gz DNYAIWNWCCHJPY-DGCLKSJQSA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000252788707 170016983 /nfs/dbraw/zinc/01/69/83/170016983.db2.gz QWCRFMKSASUVJR-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cscn2)C1 ZINC000252788707 170016984 /nfs/dbraw/zinc/01/69/84/170016984.db2.gz QWCRFMKSASUVJR-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752445 170018506 /nfs/dbraw/zinc/01/85/06/170018506.db2.gz LHRFURBDGXPACW-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752445 170018508 /nfs/dbraw/zinc/01/85/08/170018508.db2.gz LHRFURBDGXPACW-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752445 170018509 /nfs/dbraw/zinc/01/85/09/170018509.db2.gz LHRFURBDGXPACW-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccn2)C[C@@H]1C ZINC000353752445 170018510 /nfs/dbraw/zinc/01/85/10/170018510.db2.gz LHRFURBDGXPACW-ZFWWWQNUSA-N 2 2 247.386 2.386 20 0 BEADLP c1cncc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655856619 411538778 /nfs/dbraw/zinc/53/87/78/411538778.db2.gz PLRKOWLDFUOTHS-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655856619 411538779 /nfs/dbraw/zinc/53/87/79/411538779.db2.gz PLRKOWLDFUOTHS-CABCVRRESA-N 2 2 245.370 2.188 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@H](C)C1 ZINC000173364095 170020368 /nfs/dbraw/zinc/02/03/68/170020368.db2.gz HBVUSVTYCCSFFV-YPMHNXCESA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccco2)[C@H](C)C1 ZINC000173364095 170020369 /nfs/dbraw/zinc/02/03/69/170020369.db2.gz HBVUSVTYCCSFFV-YPMHNXCESA-N 2 2 222.332 2.100 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000328528906 170020684 /nfs/dbraw/zinc/02/06/84/170020684.db2.gz WCUWUALQYUPINB-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000328528906 170020686 /nfs/dbraw/zinc/02/06/86/170020686.db2.gz WCUWUALQYUPINB-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2occc2C)[C@H](C)C1 ZINC000266138385 170020748 /nfs/dbraw/zinc/02/07/48/170020748.db2.gz SZVXMGRPTYECGM-OLZOCXBDSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2occc2C)[C@H](C)C1 ZINC000266138385 170020749 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C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000655857095 411539089 /nfs/dbraw/zinc/53/90/89/411539089.db2.gz RMDKXDQJQNWCFW-CHWSQXEVSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000655857279 411539585 /nfs/dbraw/zinc/53/95/85/411539585.db2.gz RMDKXDQJQNWCFW-STQMWFEESA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000655857279 411539588 /nfs/dbraw/zinc/53/95/88/411539588.db2.gz RMDKXDQJQNWCFW-STQMWFEESA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC000361030923 170030020 /nfs/dbraw/zinc/03/00/20/170030020.db2.gz LUGIRRALJDNLBR-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCOC(C)C)C1 ZINC000361030923 170030021 /nfs/dbraw/zinc/03/00/21/170030021.db2.gz LUGIRRALJDNLBR-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCSC)C1 ZINC000309058374 170031359 /nfs/dbraw/zinc/03/13/59/170031359.db2.gz VMFJAVAXSQSYAE-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCSC)C1 ZINC000309058374 170031360 /nfs/dbraw/zinc/03/13/60/170031360.db2.gz VMFJAVAXSQSYAE-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000336777910 170031919 /nfs/dbraw/zinc/03/19/19/170031919.db2.gz JVRSQZGKUCNJDM-NXEZZACHSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000336777910 170031920 /nfs/dbraw/zinc/03/19/20/170031920.db2.gz JVRSQZGKUCNJDM-NXEZZACHSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000358104899 170032005 /nfs/dbraw/zinc/03/20/05/170032005.db2.gz ZVJZNZSCMOFSCT-GDBMZVCRSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000358104899 170032007 /nfs/dbraw/zinc/03/20/07/170032007.db2.gz ZVJZNZSCMOFSCT-GDBMZVCRSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCc2ccsc2)[C@@H](C)C1 ZINC000336778779 170036023 /nfs/dbraw/zinc/03/60/23/170036023.db2.gz MIGQMSORBUHCAQ-AAEUAGOBSA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCCSC)C1 ZINC000336776053 170037203 /nfs/dbraw/zinc/03/72/03/170037203.db2.gz DOCLVNIPELEXCL-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCCSC)C1 ZINC000336776053 170037204 /nfs/dbraw/zinc/03/72/04/170037204.db2.gz DOCLVNIPELEXCL-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000339791961 170037227 /nfs/dbraw/zinc/03/72/27/170037227.db2.gz KZRMNBJRLDSZJR-FGZQJIAISA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000339791961 170037228 /nfs/dbraw/zinc/03/72/28/170037228.db2.gz KZRMNBJRLDSZJR-FGZQJIAISA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000358104902 170038732 /nfs/dbraw/zinc/03/87/32/170038732.db2.gz ZVJZNZSCMOFSCT-GOEBONIOSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000358104902 170038733 /nfs/dbraw/zinc/03/87/33/170038733.db2.gz ZVJZNZSCMOFSCT-GOEBONIOSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCSCC(C)C)C1 ZINC000309488383 170038918 /nfs/dbraw/zinc/03/89/18/170038918.db2.gz WGHBQQGGXYKHKA-QWHCGFSZSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCSCC(C)C)C1 ZINC000309488383 170038919 /nfs/dbraw/zinc/03/89/19/170038919.db2.gz WGHBQQGGXYKHKA-QWHCGFSZSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000336782589 170039307 /nfs/dbraw/zinc/03/93/07/170039307.db2.gz YDCFSQBHCHZUSN-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000336782589 170039308 /nfs/dbraw/zinc/03/93/08/170039308.db2.gz YDCFSQBHCHZUSN-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523760 411541648 /nfs/dbraw/zinc/54/16/48/411541648.db2.gz IOEQWOKKWWCDQD-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523760 411541650 /nfs/dbraw/zinc/54/16/50/411541650.db2.gz IOEQWOKKWWCDQD-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000660127624 411542439 /nfs/dbraw/zinc/54/24/39/411542439.db2.gz DAZDGYFBDNEGOL-CYBMUJFWSA-N 2 2 231.343 2.176 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000660127624 411542440 /nfs/dbraw/zinc/54/24/40/411542440.db2.gz DAZDGYFBDNEGOL-CYBMUJFWSA-N 2 2 231.343 2.176 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660129625 411542494 /nfs/dbraw/zinc/54/24/94/411542494.db2.gz SJHXJOPHXDMSLG-FQUUOJAGSA-N 2 2 245.370 2.256 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000660129625 411542496 /nfs/dbraw/zinc/54/24/96/411542496.db2.gz SJHXJOPHXDMSLG-FQUUOJAGSA-N 2 2 245.370 2.256 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CO1 ZINC000657526648 411542751 /nfs/dbraw/zinc/54/27/51/411542751.db2.gz KCVISXQZAUPRNA-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CO1 ZINC000657526648 411542753 /nfs/dbraw/zinc/54/27/53/411542753.db2.gz KCVISXQZAUPRNA-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000657524825 411543576 /nfs/dbraw/zinc/54/35/76/411543576.db2.gz MCGKSQRSFGBQNJ-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000657524825 411543577 /nfs/dbraw/zinc/54/35/77/411543577.db2.gz MCGKSQRSFGBQNJ-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848683 411536650 /nfs/dbraw/zinc/53/66/50/411536650.db2.gz JRZWKIHZCYGBPI-AVGNSLFASA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848683 411536653 /nfs/dbraw/zinc/53/66/53/411536653.db2.gz JRZWKIHZCYGBPI-AVGNSLFASA-N 2 2 210.365 2.391 20 0 BEADLP CC1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849224 411536673 /nfs/dbraw/zinc/53/66/73/411536673.db2.gz QKHKSFCTFVSURO-CLRIEMFWSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849224 411536676 /nfs/dbraw/zinc/53/66/76/411536676.db2.gz QKHKSFCTFVSURO-CLRIEMFWSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000655849045 411536973 /nfs/dbraw/zinc/53/69/73/411536973.db2.gz LZHZSRUAJDGQFS-FPMFFAJLSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000655849045 411536976 /nfs/dbraw/zinc/53/69/76/411536976.db2.gz LZHZSRUAJDGQFS-FPMFFAJLSA-N 2 2 222.376 2.391 20 0 BEADLP COCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850838 411537099 /nfs/dbraw/zinc/53/70/99/411537099.db2.gz ZFZRLVHAIJFWHZ-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850838 411537101 /nfs/dbraw/zinc/53/71/01/411537101.db2.gz ZFZRLVHAIJFWHZ-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000044651748 170116075 /nfs/dbraw/zinc/11/60/75/170116075.db2.gz ZYJOAFFXYTWRAF-QMMMGPOBSA-N 2 2 227.377 2.020 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000657562389 411552580 /nfs/dbraw/zinc/55/25/80/411552580.db2.gz HNJBLQGRHLHPJB-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000657562389 411552581 /nfs/dbraw/zinc/55/25/81/411552581.db2.gz HNJBLQGRHLHPJB-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP COCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564576 411552934 /nfs/dbraw/zinc/55/29/34/411552934.db2.gz WPJAYPPBSKYLGD-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP COCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564576 411552936 /nfs/dbraw/zinc/55/29/36/411552936.db2.gz WPJAYPPBSKYLGD-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657586150 411557333 /nfs/dbraw/zinc/55/73/33/411557333.db2.gz IJJPUKQQKXBWJW-NSHDSACASA-N 2 2 221.348 2.355 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCC[C@H]3C[C@H]31)CCC2 ZINC000657655260 411571154 /nfs/dbraw/zinc/57/11/54/411571154.db2.gz CJVLQRJGKCBROO-SGMGOOAPSA-N 2 2 245.370 2.355 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)n1C ZINC000657657326 411572072 /nfs/dbraw/zinc/57/20/72/411572072.db2.gz PNODROWQPWBIDP-SGMGOOAPSA-N 2 2 233.359 2.254 20 0 BEADLP CCOC1CC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000124457136 170329621 /nfs/dbraw/zinc/32/96/21/170329621.db2.gz DPZABODWCCTEGA-ROKHWSDSSA-N 2 2 242.407 2.120 20 0 BEADLP CCOCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336680063 170372677 /nfs/dbraw/zinc/37/26/77/170372677.db2.gz CITPCQHPZCSILL-LBPRGKRZSA-N 2 2 237.347 2.016 20 0 BEADLP CCOCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336680063 170372679 /nfs/dbraw/zinc/37/26/79/170372679.db2.gz CITPCQHPZCSILL-LBPRGKRZSA-N 2 2 237.347 2.016 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC[C@@]2(C)CC2(F)F)n1C ZINC000657673773 411575930 /nfs/dbraw/zinc/57/59/30/411575930.db2.gz WFFWUAFCFVIGAP-NSHDSACASA-N 2 2 243.301 2.254 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@@H+]1C1CC1 ZINC000657664497 411576959 /nfs/dbraw/zinc/57/69/59/411576959.db2.gz KVIQBCJPENCBOE-CKYFFXLPSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C[N@H+]1C1CC1 ZINC000657664497 411576960 /nfs/dbraw/zinc/57/69/60/411576960.db2.gz KVIQBCJPENCBOE-CKYFFXLPSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713613 411586371 /nfs/dbraw/zinc/58/63/71/411586371.db2.gz IHOQKOMUBNUDJO-MIGQKNRLSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713613 411586373 /nfs/dbraw/zinc/58/63/73/411586373.db2.gz IHOQKOMUBNUDJO-MIGQKNRLSA-N 2 2 244.382 2.472 20 0 BEADLP CCOC1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000657817541 411605485 /nfs/dbraw/zinc/60/54/85/411605485.db2.gz OYMQLFGBXPUECZ-UHFFFAOYSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657822149 411606887 /nfs/dbraw/zinc/60/68/87/411606887.db2.gz WKQHFZSBYLVXGC-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657822149 411606888 /nfs/dbraw/zinc/60/68/88/411606888.db2.gz WKQHFZSBYLVXGC-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCSCC1 ZINC000657866285 411613348 /nfs/dbraw/zinc/61/33/48/411613348.db2.gz ZDFBNWLKIZLHNW-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCSCC1 ZINC000657866285 411613350 /nfs/dbraw/zinc/61/33/50/411613350.db2.gz ZDFBNWLKIZLHNW-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP Fc1ccc(/C=C\C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499057 411680653 /nfs/dbraw/zinc/68/06/53/411680653.db2.gz VVPUHTKXLALDOT-UPHRSURJSA-N 2 2 246.329 2.181 20 0 BEADLP Cc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000663498893 411682472 /nfs/dbraw/zinc/68/24/72/411682472.db2.gz SDEPXSVAFWJVCN-UHFFFAOYSA-N 2 2 230.355 2.145 20 0 BEADLP Cc1ccc(C)c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663498591 411682509 /nfs/dbraw/zinc/68/25/09/411682509.db2.gz PWVVHOSYHJVTRP-UHFFFAOYSA-N 2 2 230.355 2.145 20 0 BEADLP CSc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663502263 411685099 /nfs/dbraw/zinc/68/50/99/411685099.db2.gz PZHJENQSHGNVAW-UHFFFAOYSA-N 2 2 248.395 2.250 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000663508003 411689903 /nfs/dbraw/zinc/68/99/03/411689903.db2.gz FZFOKVAWDRGDPN-LBPRGKRZSA-N 2 2 248.370 2.173 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000663508112 411690941 /nfs/dbraw/zinc/69/09/41/411690941.db2.gz JFLLTQAYHMAOPP-SNVBAGLBSA-N 2 2 247.317 2.071 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000663513769 411694508 /nfs/dbraw/zinc/69/45/08/411694508.db2.gz LZYCDMNRLADZMX-NSHDSACASA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000663513749 411694991 /nfs/dbraw/zinc/69/49/91/411694991.db2.gz LVSLLAOISJQRGT-LBPRGKRZSA-N 2 2 243.354 2.241 20 0 BEADLP CCSc1cccc(C[NH2+][C@@H](C)C[NH2+]C)c1 ZINC000663513796 411695391 /nfs/dbraw/zinc/69/53/91/411695391.db2.gz MNFIJXVWAGFICF-NSHDSACASA-N 2 2 238.400 2.496 20 0 BEADLP c1[nH+]c2ccccn2c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974225 411931212 /nfs/dbraw/zinc/93/12/12/411931212.db2.gz VLDRNSLRTVYDNP-VXGBXAGGSA-N 2 2 227.311 2.176 20 0 BEADLP c1[nH+]c2ccccn2c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974225 411931214 /nfs/dbraw/zinc/93/12/14/411931214.db2.gz VLDRNSLRTVYDNP-VXGBXAGGSA-N 2 2 227.311 2.176 20 0 BEADLP Cc1nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc[nH+]1 ZINC000664143390 411871959 /nfs/dbraw/zinc/87/19/59/411871959.db2.gz XVNJWYGFOGPJEZ-NSHDSACASA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000664143390 411871963 /nfs/dbraw/zinc/87/19/63/411871963.db2.gz XVNJWYGFOGPJEZ-NSHDSACASA-N 2 2 234.347 2.070 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000662247198 412044290 /nfs/dbraw/zinc/04/42/90/412044290.db2.gz VHUUSLAFMWWLCV-MNOVXSKESA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000662247198 412044291 /nfs/dbraw/zinc/04/42/91/412044291.db2.gz VHUUSLAFMWWLCV-MNOVXSKESA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368105543 171002529 /nfs/dbraw/zinc/00/25/29/171002529.db2.gz TVNJKFIHJSQVJV-GRYCIOLGSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368105543 171002531 /nfs/dbraw/zinc/00/25/31/171002531.db2.gz TVNJKFIHJSQVJV-GRYCIOLGSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000308935120 171041627 /nfs/dbraw/zinc/04/16/27/171041627.db2.gz KRNDKKYMXYFXPT-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309705671 171044861 /nfs/dbraw/zinc/04/48/61/171044861.db2.gz OIOWHTXVKYFKRL-RFHZTLPTSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309705671 171044864 /nfs/dbraw/zinc/04/48/64/171044864.db2.gz OIOWHTXVKYFKRL-RFHZTLPTSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[NH+](C)C ZINC000336736759 171050260 /nfs/dbraw/zinc/05/02/60/171050260.db2.gz PQGWOAKCYQDYBS-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000336733965 171058578 /nfs/dbraw/zinc/05/85/78/171058578.db2.gz KODKFRSPGRQMKN-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000336733965 171058579 /nfs/dbraw/zinc/05/85/79/171058579.db2.gz KODKFRSPGRQMKN-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@]1(C)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336653406 171200766 /nfs/dbraw/zinc/20/07/66/171200766.db2.gz YKBKNPMGPDSOAI-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336653406 171200769 /nfs/dbraw/zinc/20/07/69/171200769.db2.gz YKBKNPMGPDSOAI-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP CC(C)c1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000662281281 412072174 /nfs/dbraw/zinc/07/21/74/412072174.db2.gz MEWUMXKOSJHVAV-UHFFFAOYSA-N 2 2 206.333 2.201 20 0 BEADLP CC(C)c1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000662281281 412072176 /nfs/dbraw/zinc/07/21/76/412072176.db2.gz MEWUMXKOSJHVAV-UHFFFAOYSA-N 2 2 206.333 2.201 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000040408012 171340783 /nfs/dbraw/zinc/34/07/83/171340783.db2.gz HZWPRKXGVPXDLM-FZMZJTMJSA-N 2 2 218.344 2.089 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000122466230 171365346 /nfs/dbraw/zinc/36/53/46/171365346.db2.gz WFNSLYFXEXTZHZ-YNEHKIRRSA-N 2 2 244.448 2.448 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000310017442 171367298 /nfs/dbraw/zinc/36/72/98/171367298.db2.gz LKYUWPLRRFZMSE-TUAOUCFPSA-N 2 2 221.348 2.222 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000310019371 171390753 /nfs/dbraw/zinc/39/07/53/171390753.db2.gz MJPMBKBGDTUKNY-GARJFASQSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000310019371 171390755 /nfs/dbraw/zinc/39/07/55/171390755.db2.gz MJPMBKBGDTUKNY-GARJFASQSA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336741414 171391505 /nfs/dbraw/zinc/39/15/05/171391505.db2.gz QZYNHBSMUHNTFK-MNXVOIDGSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336741414 171391506 /nfs/dbraw/zinc/39/15/06/171391506.db2.gz QZYNHBSMUHNTFK-MNXVOIDGSA-N 2 2 224.392 2.493 20 0 BEADLP COc1cccc([C@@H](C)[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304393 412088411 /nfs/dbraw/zinc/08/84/11/412088411.db2.gz QPGPEXSQUIKTLY-XIKARTHZSA-N 2 2 246.354 2.179 20 0 BEADLP COc1cccc([C@@H](C)[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662304393 412088413 /nfs/dbraw/zinc/08/84/13/412088413.db2.gz QPGPEXSQUIKTLY-XIKARTHZSA-N 2 2 246.354 2.179 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304406 412089464 /nfs/dbraw/zinc/08/94/64/412089464.db2.gz RIVGUOHQXNEPPV-CDWSIMAYSA-N 2 2 234.318 2.310 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304406 412089468 /nfs/dbraw/zinc/08/94/68/412089468.db2.gz RIVGUOHQXNEPPV-CDWSIMAYSA-N 2 2 234.318 2.310 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000662306983 412093101 /nfs/dbraw/zinc/09/31/01/412093101.db2.gz TXPUAQGBOAHUFD-NSHDSACASA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000662306983 412093103 /nfs/dbraw/zinc/09/31/03/412093103.db2.gz TXPUAQGBOAHUFD-NSHDSACASA-N 2 2 212.381 2.482 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1C ZINC000662326480 412102243 /nfs/dbraw/zinc/10/22/43/412102243.db2.gz UKFYEVKPRMHIKB-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1C ZINC000662326480 412102248 /nfs/dbraw/zinc/10/22/48/412102248.db2.gz UKFYEVKPRMHIKB-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1F ZINC000662325353 412102720 /nfs/dbraw/zinc/10/27/20/412102720.db2.gz FDKJPPCLRNPPNJ-HUUCEWRRSA-N 2 2 248.345 2.435 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC[C@H]1F ZINC000662325353 412102723 /nfs/dbraw/zinc/10/27/23/412102723.db2.gz FDKJPPCLRNPPNJ-HUUCEWRRSA-N 2 2 248.345 2.435 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1F ZINC000662326432 412103437 /nfs/dbraw/zinc/10/34/37/412103437.db2.gz ZKJKOXOTGHVFFO-HUUCEWRRSA-N 2 2 248.345 2.046 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CC[C@H]1F ZINC000662326432 412103440 /nfs/dbraw/zinc/10/34/40/412103440.db2.gz ZKJKOXOTGHVFFO-HUUCEWRRSA-N 2 2 248.345 2.046 20 0 BEADLP CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000340172282 171439820 /nfs/dbraw/zinc/43/98/20/171439820.db2.gz HKAALTIWILLFOW-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cscn1 ZINC000665247855 412193824 /nfs/dbraw/zinc/19/38/24/412193824.db2.gz KVWNSDDYAXADEB-VIFPVBQESA-N 2 2 225.361 2.065 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccco1 ZINC000665250353 412196308 /nfs/dbraw/zinc/19/63/08/412196308.db2.gz OYEPFKQKFDLGCW-SNVBAGLBSA-N 2 2 208.305 2.202 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665276927 412218491 /nfs/dbraw/zinc/21/84/91/412218491.db2.gz PDNFRSGZXVQUCW-CIQACWJJSA-N 2 2 246.329 2.155 20 0 BEADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000665276805 412218953 /nfs/dbraw/zinc/21/89/53/412218953.db2.gz NCRLLOFHINEOPC-IFQILLTASA-N 2 2 234.318 2.228 20 0 BEADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000665276742 412219268 /nfs/dbraw/zinc/21/92/68/412219268.db2.gz LJBYPFHICWMYOB-IFQILLTASA-N 2 2 234.318 2.228 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(C)n1 ZINC000665278300 412221824 /nfs/dbraw/zinc/22/18/24/412221824.db2.gz AKWCQIOGQJZCBV-ZOODHJKOSA-N 2 2 245.370 2.101 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000665294689 412234616 /nfs/dbraw/zinc/23/46/16/412234616.db2.gz UIMRLYFKGYLPSB-NWDGAFQWSA-N 2 2 206.333 2.254 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665293866 412238106 /nfs/dbraw/zinc/23/81/06/412238106.db2.gz DRMAKPNFXSOJJU-RYUDHWBXSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000665293899 412238520 /nfs/dbraw/zinc/23/85/20/412238520.db2.gz FAAOQHZJXUYGRG-NEPJUHHUSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000665293839 412239287 /nfs/dbraw/zinc/23/92/87/412239287.db2.gz DKELQAVHCCANQT-RKDXNWHRSA-N 2 2 228.286 2.223 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000665294895 412240696 /nfs/dbraw/zinc/24/06/96/412240696.db2.gz YKIOVGNMZLAEMD-RYUDHWBXSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000665294645 412241436 /nfs/dbraw/zinc/24/14/36/412241436.db2.gz SQEXZLKREUNBIF-ZYHUDNBSSA-N 2 2 236.384 2.421 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(F)c1 ZINC000665297267 412244519 /nfs/dbraw/zinc/24/45/19/412244519.db2.gz CECREIHKPKOCRW-MFKMUULPSA-N 2 2 224.323 2.474 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(F)c1 ZINC000665297266 412245383 /nfs/dbraw/zinc/24/53/83/412245383.db2.gz CECREIHKPKOCRW-GXFFZTMASA-N 2 2 224.323 2.474 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000665298491 412246614 /nfs/dbraw/zinc/24/66/14/412246614.db2.gz WZYQADXDWUSPBC-SCZZXKLOSA-N 2 2 212.362 2.315 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000665298493 412246768 /nfs/dbraw/zinc/24/67/68/412246768.db2.gz WZYQADXDWUSPBC-WPRPVWTQSA-N 2 2 212.362 2.315 20 0 BEADLP CCc1[nH+]ccn1CCCn1cc[nH+]c1CC ZINC000158594891 172026428 /nfs/dbraw/zinc/02/64/28/172026428.db2.gz MRQZQMISKDMCNA-UHFFFAOYSA-N 2 2 232.331 2.295 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352700276 172394533 /nfs/dbraw/zinc/39/45/33/172394533.db2.gz BLGHROKKDONTAB-UHFFFAOYSA-N 2 2 242.407 2.262 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC000019519155 172468314 /nfs/dbraw/zinc/46/83/14/172468314.db2.gz BMXGIAVSGWNRJA-AWEZNQCLSA-N 2 2 218.344 2.215 20 0 BEADLP CN(CCC[NH+]1CCCC1)c1cccc[nH+]1 ZINC000281975084 172704977 /nfs/dbraw/zinc/70/49/77/172704977.db2.gz UQDNQYOMVAQUTO-UHFFFAOYSA-N 2 2 219.332 2.004 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352557771 173031164 /nfs/dbraw/zinc/03/11/64/173031164.db2.gz REVINTIGAMMRRP-OTTFEQOBSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352557771 173031166 /nfs/dbraw/zinc/03/11/66/173031166.db2.gz REVINTIGAMMRRP-OTTFEQOBSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000163685590 173032727 /nfs/dbraw/zinc/03/27/27/173032727.db2.gz TZMVLOOIHYRFCC-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000163685590 173032729 /nfs/dbraw/zinc/03/27/29/173032729.db2.gz TZMVLOOIHYRFCC-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000154586525 173032764 /nfs/dbraw/zinc/03/27/64/173032764.db2.gz KJARINNVUFPSLF-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000154586525 173032767 /nfs/dbraw/zinc/03/27/67/173032767.db2.gz KJARINNVUFPSLF-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000222697787 173033787 /nfs/dbraw/zinc/03/37/87/173033787.db2.gz CMLMAUTXTMLBFB-IAQYHMDHSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000222697787 173033788 /nfs/dbraw/zinc/03/37/88/173033788.db2.gz CMLMAUTXTMLBFB-IAQYHMDHSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309543224 173034069 /nfs/dbraw/zinc/03/40/69/173034069.db2.gz GGINZSNKYGYAPS-REWJHTLYSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309543224 173034071 /nfs/dbraw/zinc/03/40/71/173034071.db2.gz GGINZSNKYGYAPS-REWJHTLYSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000163686729 173034615 /nfs/dbraw/zinc/03/46/15/173034615.db2.gz BLOKKIOEFRMTDS-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000163686729 173034618 /nfs/dbraw/zinc/03/46/18/173034618.db2.gz BLOKKIOEFRMTDS-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CCC[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000044537564 173041266 /nfs/dbraw/zinc/04/12/66/173041266.db2.gz WOGXUQSLIAHQJR-LLVKDONJSA-N 2 2 244.342 2.317 20 0 BEADLP C[N@H+]1CCC[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000044537564 173041267 /nfs/dbraw/zinc/04/12/67/173041267.db2.gz WOGXUQSLIAHQJR-LLVKDONJSA-N 2 2 244.342 2.317 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000163685710 173056149 /nfs/dbraw/zinc/05/61/49/173056149.db2.gz TZMVLOOIHYRFCC-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000163685710 173056152 /nfs/dbraw/zinc/05/61/52/173056152.db2.gz TZMVLOOIHYRFCC-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352557770 173056259 /nfs/dbraw/zinc/05/62/59/173056259.db2.gz REVINTIGAMMRRP-CPCZMJQVSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352557770 173056261 /nfs/dbraw/zinc/05/62/61/173056261.db2.gz REVINTIGAMMRRP-CPCZMJQVSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000268785762 173056527 /nfs/dbraw/zinc/05/65/27/173056527.db2.gz CMLMAUTXTMLBFB-NHYWBVRUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC000268785762 173056529 /nfs/dbraw/zinc/05/65/29/173056529.db2.gz CMLMAUTXTMLBFB-NHYWBVRUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000227744209 173057443 /nfs/dbraw/zinc/05/74/43/173057443.db2.gz ZNRXSRYAGMLBTE-BOSPYUDASA-N 2 2 230.355 2.384 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000227744209 173057444 /nfs/dbraw/zinc/05/74/44/173057444.db2.gz ZNRXSRYAGMLBTE-BOSPYUDASA-N 2 2 230.355 2.384 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000042544685 173123511 /nfs/dbraw/zinc/12/35/11/173123511.db2.gz XYWQSMRTYUNQKU-GFCCVEGCSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000042544685 173123514 /nfs/dbraw/zinc/12/35/14/173123514.db2.gz XYWQSMRTYUNQKU-GFCCVEGCSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000042547691 173124745 /nfs/dbraw/zinc/12/47/45/173124745.db2.gz ABFYSKMYPIFHGI-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000042547691 173124747 /nfs/dbraw/zinc/12/47/47/173124747.db2.gz ABFYSKMYPIFHGI-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706352 173134336 /nfs/dbraw/zinc/13/43/36/173134336.db2.gz ZTCAWLVMQZNSNR-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706352 173134338 /nfs/dbraw/zinc/13/43/38/173134338.db2.gz ZTCAWLVMQZNSNR-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706352 173134341 /nfs/dbraw/zinc/13/43/41/173134341.db2.gz ZTCAWLVMQZNSNR-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706352 173134342 /nfs/dbraw/zinc/13/43/42/173134342.db2.gz ZTCAWLVMQZNSNR-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccs3)[C@@H]2C1 ZINC000272676210 173134404 /nfs/dbraw/zinc/13/44/04/173134404.db2.gz UROFWSQXTXZQRZ-DGCLKSJQSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccs3)[C@@H]2C1 ZINC000272676210 173134405 /nfs/dbraw/zinc/13/44/05/173134405.db2.gz UROFWSQXTXZQRZ-DGCLKSJQSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccs3)[C@@H]2C1 ZINC000272676210 173134408 /nfs/dbraw/zinc/13/44/08/173134408.db2.gz UROFWSQXTXZQRZ-DGCLKSJQSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccs3)[C@@H]2C1 ZINC000272676210 173134411 /nfs/dbraw/zinc/13/44/11/173134411.db2.gz UROFWSQXTXZQRZ-DGCLKSJQSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccs3)[C@H]2C1 ZINC000272676209 173159498 /nfs/dbraw/zinc/15/94/98/173159498.db2.gz UROFWSQXTXZQRZ-AAEUAGOBSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccs3)[C@H]2C1 ZINC000272676209 173159500 /nfs/dbraw/zinc/15/95/00/173159500.db2.gz UROFWSQXTXZQRZ-AAEUAGOBSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccs3)[C@H]2C1 ZINC000272676209 173159501 /nfs/dbraw/zinc/15/95/01/173159501.db2.gz UROFWSQXTXZQRZ-AAEUAGOBSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccs3)[C@H]2C1 ZINC000272676209 173159503 /nfs/dbraw/zinc/15/95/03/173159503.db2.gz UROFWSQXTXZQRZ-AAEUAGOBSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000083357736 173348659 /nfs/dbraw/zinc/34/86/59/173348659.db2.gz BMOHWFVMYWOVOO-UHFFFAOYSA-N 2 2 230.714 2.178 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000053300165 173353093 /nfs/dbraw/zinc/35/30/93/173353093.db2.gz IGWQSCJBPMDKGX-UHFFFAOYSA-N 2 2 220.360 2.263 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000053300165 173353094 /nfs/dbraw/zinc/35/30/94/173353094.db2.gz IGWQSCJBPMDKGX-UHFFFAOYSA-N 2 2 220.360 2.263 20 0 BEADLP COCCC[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000271495816 174260481 /nfs/dbraw/zinc/26/04/81/174260481.db2.gz LGTDFBRVPRCQCP-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCCC(C)C ZINC000338426624 174309125 /nfs/dbraw/zinc/30/91/25/174309125.db2.gz QKCOOMVSFLDNAD-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCCC(C)C ZINC000338426624 174309127 /nfs/dbraw/zinc/30/91/27/174309127.db2.gz QKCOOMVSFLDNAD-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180645578 174338606 /nfs/dbraw/zinc/33/86/06/174338606.db2.gz OSZVLESBCYETHG-LBPRGKRZSA-N 2 2 245.326 2.169 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000035162004 175074502 /nfs/dbraw/zinc/07/45/02/175074502.db2.gz AVIFTMVEFXAECH-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175750 175258469 /nfs/dbraw/zinc/25/84/69/175258469.db2.gz SUQMLTNONZBOGB-IUODEOHRSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175750 175258471 /nfs/dbraw/zinc/25/84/71/175258471.db2.gz SUQMLTNONZBOGB-IUODEOHRSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000235014529 175293431 /nfs/dbraw/zinc/29/34/31/175293431.db2.gz XZEZFHMQUPZTFO-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000235014932 175293515 /nfs/dbraw/zinc/29/35/15/175293515.db2.gz XZEZFHMQUPZTFO-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119146 175293538 /nfs/dbraw/zinc/29/35/38/175293538.db2.gz DALCZWYARZWKST-LBPRGKRZSA-N 2 2 245.326 2.243 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224191913 176013701 /nfs/dbraw/zinc/01/37/01/176013701.db2.gz HXQYOTZAGYMQRK-UWVGGRQHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224191913 176013703 /nfs/dbraw/zinc/01/37/03/176013703.db2.gz HXQYOTZAGYMQRK-UWVGGRQHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200990 176015554 /nfs/dbraw/zinc/01/55/54/176015554.db2.gz ANXMSEUBCHWAGL-UWVGGRQHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200990 176015555 /nfs/dbraw/zinc/01/55/55/176015555.db2.gz ANXMSEUBCHWAGL-UWVGGRQHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC([NH3+])CC1 ZINC000034958692 176015893 /nfs/dbraw/zinc/01/58/93/176015893.db2.gz NZMFMUOZANLIKU-VIFPVBQESA-N 2 2 240.297 2.449 20 0 BEADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CC[NH3+] ZINC000054417042 176016543 /nfs/dbraw/zinc/01/65/43/176016543.db2.gz UAECKRAFGBVDRA-VIFPVBQESA-N 2 2 244.285 2.240 20 0 BEADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CC[NH3+] ZINC000054417042 176016544 /nfs/dbraw/zinc/01/65/44/176016544.db2.gz UAECKRAFGBVDRA-VIFPVBQESA-N 2 2 244.285 2.240 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CCSC1 ZINC000336782276 176071441 /nfs/dbraw/zinc/07/14/41/176071441.db2.gz XDESPVNHQNYIRT-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CCSC1 ZINC000336782276 176071443 /nfs/dbraw/zinc/07/14/43/176071443.db2.gz XDESPVNHQNYIRT-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000044417871 176084148 /nfs/dbraw/zinc/08/41/48/176084148.db2.gz HYITYJGCPKRCMF-OLZOCXBDSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000044417871 176084150 /nfs/dbraw/zinc/08/41/50/176084150.db2.gz HYITYJGCPKRCMF-OLZOCXBDSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCn1cc[nH+]c1 ZINC000041041892 176113872 /nfs/dbraw/zinc/11/38/72/176113872.db2.gz JQGSLULKYYFEEN-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCn1cc[nH+]c1 ZINC000161637884 176115092 /nfs/dbraw/zinc/11/50/92/176115092.db2.gz UBUBHLXEIBHDNO-VXGBXAGGSA-N 2 2 207.321 2.146 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000163681767 176123753 /nfs/dbraw/zinc/12/37/53/176123753.db2.gz YQZUZWSLMDFHHU-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000163681767 176123754 /nfs/dbraw/zinc/12/37/54/176123754.db2.gz YQZUZWSLMDFHHU-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353241198 176124636 /nfs/dbraw/zinc/12/46/36/176124636.db2.gz LHTIRYWHWREZMT-UTUOFQBUSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353241198 176124637 /nfs/dbraw/zinc/12/46/37/176124637.db2.gz LHTIRYWHWREZMT-UTUOFQBUSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000163681519 176144577 /nfs/dbraw/zinc/14/45/77/176144577.db2.gz YQZUZWSLMDFHHU-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000163681519 176144579 /nfs/dbraw/zinc/14/45/79/176144579.db2.gz YQZUZWSLMDFHHU-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)CCS1 ZINC000192187844 176170796 /nfs/dbraw/zinc/17/07/96/176170796.db2.gz BJNKBAHQFXFTIJ-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)CCS1 ZINC000192187844 176170798 /nfs/dbraw/zinc/17/07/98/176170798.db2.gz BJNKBAHQFXFTIJ-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781086 176274188 /nfs/dbraw/zinc/27/41/88/176274188.db2.gz TWUWDUFZVKPAAD-MFKMUULPSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781086 176274191 /nfs/dbraw/zinc/27/41/91/176274191.db2.gz TWUWDUFZVKPAAD-MFKMUULPSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337489085 176281577 /nfs/dbraw/zinc/28/15/77/176281577.db2.gz UYTDXDSYMZPYQY-BNOWGMLFSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000337489085 176281578 /nfs/dbraw/zinc/28/15/78/176281578.db2.gz UYTDXDSYMZPYQY-BNOWGMLFSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000251702128 176301410 /nfs/dbraw/zinc/30/14/10/176301410.db2.gz IYDSXCFCPTYEKO-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000251702128 176301412 /nfs/dbraw/zinc/30/14/12/176301412.db2.gz IYDSXCFCPTYEKO-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336779311 176353437 /nfs/dbraw/zinc/35/34/37/176353437.db2.gz NXRHQCLFZCLAPK-UPJWGTAASA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336779311 176353438 /nfs/dbraw/zinc/35/34/38/176353438.db2.gz NXRHQCLFZCLAPK-UPJWGTAASA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(C)C)C[N@@H+]1C1CC1 ZINC000300360510 176375916 /nfs/dbraw/zinc/37/59/16/176375916.db2.gz ZPPJEAQLTUJHEU-IJLUTSLNSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC2(C)C)C[N@H+]1C1CC1 ZINC000300360510 176375917 /nfs/dbraw/zinc/37/59/17/176375917.db2.gz ZPPJEAQLTUJHEU-IJLUTSLNSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000122797646 176376512 /nfs/dbraw/zinc/37/65/12/176376512.db2.gz RJIPJPBNEYQZSW-UKRRQHHQSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C[N@H+]1C1CC1 ZINC000122797646 176376513 /nfs/dbraw/zinc/37/65/13/176376513.db2.gz RJIPJPBNEYQZSW-UKRRQHHQSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CC[N@@H+]1C ZINC000090720411 176377932 /nfs/dbraw/zinc/37/79/32/176377932.db2.gz PZVMHVARVSJNIC-PWSUYJOCSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CC[N@H+]1C ZINC000090720411 176377933 /nfs/dbraw/zinc/37/79/33/176377933.db2.gz PZVMHVARVSJNIC-PWSUYJOCSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)C[N@@H+]1C1CC1 ZINC000336678917 176378915 /nfs/dbraw/zinc/37/89/15/176378915.db2.gz WSTJXKVOLFTVII-NQBHXWOUSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)C[N@H+]1C1CC1 ZINC000336678917 176378917 /nfs/dbraw/zinc/37/89/17/176378917.db2.gz WSTJXKVOLFTVII-NQBHXWOUSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336782855 176396969 /nfs/dbraw/zinc/39/69/69/176396969.db2.gz YVCOELXKSBEEKT-YRGRVCCFSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336782855 176396970 /nfs/dbraw/zinc/39/69/70/176396970.db2.gz YVCOELXKSBEEKT-YRGRVCCFSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+](CC[NH2+]C(C)(C)C)C[C@@H]1CC1(C)C ZINC000234283803 487634216 /nfs/dbraw/zinc/63/42/16/487634216.db2.gz PDPCQTFIAURDRM-NSHDSACASA-N 2 2 212.381 2.352 20 0 BEADLP C[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H]1CC1(C)C ZINC000234283803 487634222 /nfs/dbraw/zinc/63/42/22/487634222.db2.gz PDPCQTFIAURDRM-NSHDSACASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)s1 ZINC000037712775 176847654 /nfs/dbraw/zinc/84/76/54/176847654.db2.gz ULUZMERZBUSTEH-LURJTMIESA-N 2 2 204.726 2.011 20 0 BEADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245324 177032215 /nfs/dbraw/zinc/03/22/15/177032215.db2.gz SPZHFEQLRZOVRO-NXEZZACHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245324 177032217 /nfs/dbraw/zinc/03/22/17/177032217.db2.gz SPZHFEQLRZOVRO-NXEZZACHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000227605461 177066026 /nfs/dbraw/zinc/06/60/26/177066026.db2.gz FVRUJZQSCLLBSR-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000226769717 177074662 /nfs/dbraw/zinc/07/46/62/177074662.db2.gz IBVQSDZFXLSRHA-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000226769717 177074664 /nfs/dbraw/zinc/07/46/64/177074664.db2.gz IBVQSDZFXLSRHA-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000309095394 177075273 /nfs/dbraw/zinc/07/52/73/177075273.db2.gz CQJPNBASXBDLAS-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000309095394 177075274 /nfs/dbraw/zinc/07/52/74/177075274.db2.gz CQJPNBASXBDLAS-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000309811558 177098390 /nfs/dbraw/zinc/09/83/90/177098390.db2.gz UITJCIDXLVSEFJ-STQMWFEESA-N 2 2 242.432 2.061 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000309811558 177098392 /nfs/dbraw/zinc/09/83/92/177098392.db2.gz UITJCIDXLVSEFJ-STQMWFEESA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000161637613 177117452 /nfs/dbraw/zinc/11/74/52/177117452.db2.gz UBUBHLXEIBHDNO-TXEJJXNPSA-N 2 2 207.321 2.146 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000161637613 177117454 /nfs/dbraw/zinc/11/74/54/177117454.db2.gz UBUBHLXEIBHDNO-TXEJJXNPSA-N 2 2 207.321 2.146 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H]1C ZINC000226365835 177126790 /nfs/dbraw/zinc/12/67/90/177126790.db2.gz GJKRVHDTMGWFAZ-TUAOUCFPSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000336777610 177130136 /nfs/dbraw/zinc/13/01/36/177130136.db2.gz IZBDOKUIKQCSQA-RVMXOQNASA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000336777610 177130138 /nfs/dbraw/zinc/13/01/38/177130138.db2.gz IZBDOKUIKQCSQA-RVMXOQNASA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000020126765 177137559 /nfs/dbraw/zinc/13/75/59/177137559.db2.gz MXLRXCJSLGRAOX-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271694920 177165645 /nfs/dbraw/zinc/16/56/45/177165645.db2.gz ALQLDMKSUDDIRH-NSHDSACASA-N 2 2 215.300 2.176 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271694920 177165646 /nfs/dbraw/zinc/16/56/46/177165646.db2.gz ALQLDMKSUDDIRH-NSHDSACASA-N 2 2 215.300 2.176 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472732 177235546 /nfs/dbraw/zinc/23/55/46/177235546.db2.gz YFVJXKFKFLXNIW-WTIISPKJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472732 177235548 /nfs/dbraw/zinc/23/55/48/177235548.db2.gz YFVJXKFKFLXNIW-WTIISPKJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783309 177318760 /nfs/dbraw/zinc/31/87/60/177318760.db2.gz NLHWNDFAPVPTEC-VJTDZRGJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783309 177318761 /nfs/dbraw/zinc/31/87/61/177318761.db2.gz NLHWNDFAPVPTEC-VJTDZRGJSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783307 177319039 /nfs/dbraw/zinc/31/90/39/177319039.db2.gz NLHWNDFAPVPTEC-BJJPWKGXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783307 177319041 /nfs/dbraw/zinc/31/90/41/177319041.db2.gz NLHWNDFAPVPTEC-BJJPWKGXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000093643688 177326963 /nfs/dbraw/zinc/32/69/63/177326963.db2.gz RAEVLCSDKRRREY-RYUDHWBXSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000093643688 177326964 /nfs/dbraw/zinc/32/69/64/177326964.db2.gz RAEVLCSDKRRREY-RYUDHWBXSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643688 177326965 /nfs/dbraw/zinc/32/69/65/177326965.db2.gz RAEVLCSDKRRREY-RYUDHWBXSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643688 177326966 /nfs/dbraw/zinc/32/69/66/177326966.db2.gz RAEVLCSDKRRREY-RYUDHWBXSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2CC2)C[N@@H+]1C1CC1 ZINC000120226766 177330820 /nfs/dbraw/zinc/33/08/20/177330820.db2.gz PPRBJNYBPCVHKQ-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2CC2)C[N@H+]1C1CC1 ZINC000120226766 177330821 /nfs/dbraw/zinc/33/08/21/177330821.db2.gz PPRBJNYBPCVHKQ-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@@H+]1C1CC1 ZINC000336677012 177331391 /nfs/dbraw/zinc/33/13/91/177331391.db2.gz BIFGGOBXRGDYPU-NWDGAFQWSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@H+]1C1CC1 ZINC000336677012 177331393 /nfs/dbraw/zinc/33/13/93/177331393.db2.gz BIFGGOBXRGDYPU-NWDGAFQWSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CC[NH+]1CCCCCC1 ZINC000309144880 177345114 /nfs/dbraw/zinc/34/51/14/177345114.db2.gz UWKUIIFAZALRAX-QWHCGFSZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000263845678 177351925 /nfs/dbraw/zinc/35/19/25/177351925.db2.gz KCVNULWSHBFLEB-GWCFXTLKSA-N 2 2 245.326 2.426 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000355171266 177368691 /nfs/dbraw/zinc/36/86/91/177368691.db2.gz WTJFSBHKIJBACK-UWVGGRQHSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000355171266 177368693 /nfs/dbraw/zinc/36/86/93/177368693.db2.gz WTJFSBHKIJBACK-UWVGGRQHSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000036907428 177369928 /nfs/dbraw/zinc/36/99/28/177369928.db2.gz GWPFGHSXIIMKFW-MDZLAQPJSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccco1 ZINC000036907428 177369930 /nfs/dbraw/zinc/36/99/30/177369930.db2.gz GWPFGHSXIIMKFW-MDZLAQPJSA-N 2 2 222.332 2.098 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155678819 177391120 /nfs/dbraw/zinc/39/11/20/177391120.db2.gz WAGKWOUINUJUMC-SWLSCSKDSA-N 2 2 241.338 2.406 20 0 BEADLP COCC[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674867367 487639326 /nfs/dbraw/zinc/63/93/26/487639326.db2.gz LAEFHGKFUYCBOF-LLVKDONJSA-N 2 2 237.347 2.014 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000674879658 487642024 /nfs/dbraw/zinc/64/20/24/487642024.db2.gz WCMNRJZYJDAQBJ-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000674879658 487642027 /nfs/dbraw/zinc/64/20/27/487642027.db2.gz WCMNRJZYJDAQBJ-OCCSQVGLSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000400405031 225169347 /nfs/dbraw/zinc/16/93/47/225169347.db2.gz RAAYXRJCDJKHMO-OBJOEFQTSA-N 2 2 218.344 2.478 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3C[C@@H]3C)CC2)c1 ZINC000488337743 225380379 /nfs/dbraw/zinc/38/03/79/225380379.db2.gz UKNJQVGAOAVHKL-KBPBESRZSA-N 2 2 245.370 2.168 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1CCC[NH2+]1 ZINC000400511936 226345371 /nfs/dbraw/zinc/34/53/71/226345371.db2.gz JMENSHMWYWTCNZ-CYZMBNFOSA-N 2 2 234.343 2.387 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)C(C)C)C1 ZINC000328323242 487657339 /nfs/dbraw/zinc/65/73/39/487657339.db2.gz FIXKENPPSUQFDY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)C(C)C)C1 ZINC000328323242 487657341 /nfs/dbraw/zinc/65/73/41/487657341.db2.gz FIXKENPPSUQFDY-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000328177205 487660107 /nfs/dbraw/zinc/66/01/07/487660107.db2.gz LPLVWCWLVVZINO-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000328177205 487660111 /nfs/dbraw/zinc/66/01/11/487660111.db2.gz LPLVWCWLVVZINO-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000163137367 487690703 /nfs/dbraw/zinc/69/07/03/487690703.db2.gz DCUGBGHBZKSIMT-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000163137367 487690710 /nfs/dbraw/zinc/69/07/10/487690710.db2.gz DCUGBGHBZKSIMT-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCS[C@H](C)[C@H]2C)n1C ZINC000667649942 487695910 /nfs/dbraw/zinc/69/59/10/487695910.db2.gz HIUMLZZORQCSRB-NXEZZACHSA-N 2 2 239.388 2.054 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)n1C ZINC000667649942 487695914 /nfs/dbraw/zinc/69/59/14/487695914.db2.gz HIUMLZZORQCSRB-NXEZZACHSA-N 2 2 239.388 2.054 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527841261 262888557 /nfs/dbraw/zinc/88/85/57/262888557.db2.gz BNSDACGLNDNBGN-NEPJUHHUSA-N 2 2 219.332 2.051 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCC1 ZINC000097927654 487704985 /nfs/dbraw/zinc/70/49/85/487704985.db2.gz CMNWXFGKGXZJSK-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000328534368 487706962 /nfs/dbraw/zinc/70/69/62/487706962.db2.gz ZLGRADGUFQKQCN-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000328534368 487706969 /nfs/dbraw/zinc/70/69/69/487706969.db2.gz ZLGRADGUFQKQCN-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000088162102 487707090 /nfs/dbraw/zinc/70/70/90/487707090.db2.gz NPAHVCVUELPQJF-DGCLKSJQSA-N 2 2 204.317 2.008 20 0 BEADLP C[C@@H]1c2cccn2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000182668575 487718678 /nfs/dbraw/zinc/71/86/78/487718678.db2.gz BOCKCDKBMLSHRQ-CYBMUJFWSA-N 2 2 244.342 2.152 20 0 BEADLP C[C@@H]1c2cccn2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182668575 487718685 /nfs/dbraw/zinc/71/86/85/487718685.db2.gz BOCKCDKBMLSHRQ-CYBMUJFWSA-N 2 2 244.342 2.152 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912612 487732361 /nfs/dbraw/zinc/73/23/61/487732361.db2.gz JQELBKSYRJLUQO-XHDPSFHLSA-N 2 2 243.354 2.208 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912612 487732364 /nfs/dbraw/zinc/73/23/64/487732364.db2.gz JQELBKSYRJLUQO-XHDPSFHLSA-N 2 2 243.354 2.208 20 0 BEADLP CC(C)CC[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459307812 487759677 /nfs/dbraw/zinc/75/96/77/487759677.db2.gz SDBGCZGLSZDZQU-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)CC[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459307812 487759683 /nfs/dbraw/zinc/75/96/83/487759683.db2.gz SDBGCZGLSZDZQU-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1C1CC1 ZINC000382971435 487768893 /nfs/dbraw/zinc/76/88/93/487768893.db2.gz DIUYVIBWEQQBLX-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1C1CC1 ZINC000382971435 487768897 /nfs/dbraw/zinc/76/88/97/487768897.db2.gz DIUYVIBWEQQBLX-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP c1cn(C2CC[NH+](C[C@H]3CCCCO3)CC2)c[nH+]1 ZINC000111243153 487772200 /nfs/dbraw/zinc/77/22/00/487772200.db2.gz WXSFCLLYWIPRNW-CQSZACIVSA-N 2 2 249.358 2.089 20 0 BEADLP Cc1oc2ccccc2c1C[NH2+][C@@H](C)C[NH3+] ZINC000414949367 487773785 /nfs/dbraw/zinc/77/37/85/487773785.db2.gz ZGQIOXYWWQQERM-VIFPVBQESA-N 2 2 218.300 2.178 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000251777595 487796929 /nfs/dbraw/zinc/79/69/29/487796929.db2.gz WNOWVPDFPWMYCU-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC)CCO1 ZINC000251777595 487796940 /nfs/dbraw/zinc/79/69/40/487796940.db2.gz WNOWVPDFPWMYCU-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[C@@H]2O)c[nH+]1 ZINC000651619796 487802013 /nfs/dbraw/zinc/80/20/13/487802013.db2.gz NYFIJXUJBPYRHM-CABCVRRESA-N 2 2 248.370 2.073 20 0 BEADLP COc1ccc[nH+]c1NC1CCC([NH+](C)C)CC1 ZINC000671758468 487815865 /nfs/dbraw/zinc/81/58/65/487815865.db2.gz WDDGQIAQZWTNIJ-UHFFFAOYSA-N 2 2 249.358 2.375 20 0 BEADLP [NH3+]CCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000414766550 487823924 /nfs/dbraw/zinc/82/39/24/487823924.db2.gz RFWHQZSANKJXNI-ZDUSSCGKSA-N 2 2 240.297 2.045 20 0 BEADLP [NH3+]CCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000414766550 487823927 /nfs/dbraw/zinc/82/39/27/487823927.db2.gz RFWHQZSANKJXNI-ZDUSSCGKSA-N 2 2 240.297 2.045 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cn1 ZINC000414932953 487830336 /nfs/dbraw/zinc/83/03/36/487830336.db2.gz TVNKFBJOIBUDCX-AWEZNQCLSA-N 2 2 247.386 2.258 20 0 BEADLP CCCC[C@@H](CC)CC[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091268 487837220 /nfs/dbraw/zinc/83/72/20/487837220.db2.gz BWINZOIWSBKLJK-ZIAGYGMSSA-N 2 2 242.407 2.171 20 0 BEADLP Fc1cc(F)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666768208 487875348 /nfs/dbraw/zinc/87/53/48/487875348.db2.gz BTROBRFXGREKSA-CYBMUJFWSA-N 2 2 240.297 2.197 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768254 487875397 /nfs/dbraw/zinc/87/53/97/487875397.db2.gz FGNWUIZMABVKNB-WUKHSURWSA-N 2 2 230.355 2.432 20 0 BEADLP CC[C@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666945490 487889458 /nfs/dbraw/zinc/88/94/58/487889458.db2.gz SMCAEVFTHNPIPU-XUXIUFHCSA-N 2 2 242.382 2.492 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000666948060 487890988 /nfs/dbraw/zinc/89/09/88/487890988.db2.gz SAFDMFZNCFMURU-LBELIVKGSA-N 2 2 228.355 2.101 20 0 BEADLP Clc1cnc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000666858132 487891993 /nfs/dbraw/zinc/89/19/93/487891993.db2.gz ZCFCDNAAISGRSS-QMMMGPOBSA-N 2 2 245.779 2.028 20 0 BEADLP Clc1cnc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000666858131 487892491 /nfs/dbraw/zinc/89/24/91/487892491.db2.gz ZCFCDNAAISGRSS-MRVPVSSYSA-N 2 2 245.779 2.028 20 0 BEADLP Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1C ZINC000668537567 487901350 /nfs/dbraw/zinc/90/13/50/487901350.db2.gz JDQJNTWVZSGPOV-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1C ZINC000668537567 487901355 /nfs/dbraw/zinc/90/13/55/487901355.db2.gz JDQJNTWVZSGPOV-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000235014882 487902308 /nfs/dbraw/zinc/90/23/08/487902308.db2.gz DEIMLDYIZGMSLI-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)s1 ZINC000668538246 487902522 /nfs/dbraw/zinc/90/25/22/487902522.db2.gz XQXQFHCZQVOYEY-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)s1 ZINC000668538246 487902526 /nfs/dbraw/zinc/90/25/26/487902526.db2.gz XQXQFHCZQVOYEY-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP Cc1ccsc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538118 487902867 /nfs/dbraw/zinc/90/28/67/487902867.db2.gz UJHPNWYGPVRADZ-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP Cc1ccsc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538118 487902873 /nfs/dbraw/zinc/90/28/73/487902873.db2.gz UJHPNWYGPVRADZ-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539865 487906458 /nfs/dbraw/zinc/90/64/58/487906458.db2.gz OPBRRGRTHHPEPQ-OCCSQVGLSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539865 487906452 /nfs/dbraw/zinc/90/64/52/487906452.db2.gz OPBRRGRTHHPEPQ-OCCSQVGLSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]1CC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)C1 ZINC000666946465 487909965 /nfs/dbraw/zinc/90/99/65/487909965.db2.gz DGWYCABEEMPUDC-ZPFDUUQYSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945545 487910574 /nfs/dbraw/zinc/91/05/74/487910574.db2.gz WMGYWNYGIXKCFM-VOAKCMCISA-N 2 2 228.355 2.102 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945542 487910317 /nfs/dbraw/zinc/91/03/17/487910317.db2.gz WMGYWNYGIXKCFM-CYDGBPFRSA-N 2 2 228.355 2.102 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666947601 487911116 /nfs/dbraw/zinc/91/11/16/487911116.db2.gz CJMJACQYWCBXMU-RNJOBUHISA-N 2 2 228.355 2.102 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000666946480 487911551 /nfs/dbraw/zinc/91/15/51/487911551.db2.gz DRXRJGBFFSZWSE-XUXIUFHCSA-N 2 2 240.366 2.245 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)CC1 ZINC000083434955 487911651 /nfs/dbraw/zinc/91/16/51/487911651.db2.gz IPKWJTRIWIODGL-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000666948236 487912512 /nfs/dbraw/zinc/91/25/12/487912512.db2.gz YAEFFLORKWAYKH-GJZGRUSLSA-N 2 2 248.345 2.354 20 0 BEADLP CC(C)c1[nH+]ccn1Cc1ccc[nH+]c1N ZINC000052733050 487934513 /nfs/dbraw/zinc/93/45/13/487934513.db2.gz SSNLJSWMVVWOGD-UHFFFAOYSA-N 2 2 216.288 2.032 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000396503019 487936637 /nfs/dbraw/zinc/93/66/37/487936637.db2.gz KSJPKFKTMISRCY-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000396503019 487936646 /nfs/dbraw/zinc/93/66/46/487936646.db2.gz KSJPKFKTMISRCY-STQMWFEESA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccc(C)c1 ZINC000113604309 487951112 /nfs/dbraw/zinc/95/11/12/487951112.db2.gz CPCZAIKPJQQMTR-GFCCVEGCSA-N 2 2 206.333 2.337 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(C)c1 ZINC000113604309 487951116 /nfs/dbraw/zinc/95/11/16/487951116.db2.gz CPCZAIKPJQQMTR-GFCCVEGCSA-N 2 2 206.333 2.337 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccoc1 ZINC000562962050 323035860 /nfs/dbraw/zinc/03/58/60/323035860.db2.gz VAUOVMRATHSFOS-CMPLNLGQSA-N 2 2 208.305 2.072 20 0 BEADLP CCc1cccc(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000569700098 323037513 /nfs/dbraw/zinc/03/75/13/323037513.db2.gz FNXDGESKHZYZJF-UHFFFAOYSA-N 2 2 243.354 2.315 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000570225372 323053699 /nfs/dbraw/zinc/05/36/99/323053699.db2.gz OGLWMGGSLBMBFK-QWHCGFSZSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000570225372 323053700 /nfs/dbraw/zinc/05/37/00/323053700.db2.gz OGLWMGGSLBMBFK-QWHCGFSZSA-N 2 2 246.358 2.132 20 0 BEADLP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000570528703 323062545 /nfs/dbraw/zinc/06/25/45/323062545.db2.gz AUQDAMMREIYRQI-RYUDHWBXSA-N 2 2 231.343 2.336 20 0 BEADLP [NH3+][C@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000570528703 323062546 /nfs/dbraw/zinc/06/25/46/323062546.db2.gz AUQDAMMREIYRQI-RYUDHWBXSA-N 2 2 231.343 2.336 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cnc(C2CCC2)s1 ZINC000563129695 323094326 /nfs/dbraw/zinc/09/43/26/323094326.db2.gz LUJVZPRVXUZFEY-UHFFFAOYSA-N 2 2 239.388 2.191 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cnc(C2CCC2)s1 ZINC000563129695 323094327 /nfs/dbraw/zinc/09/43/27/323094327.db2.gz LUJVZPRVXUZFEY-UHFFFAOYSA-N 2 2 239.388 2.191 20 0 BEADLP COCC[NH2+]CC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000563415330 323123438 /nfs/dbraw/zinc/12/34/38/323123438.db2.gz NMBQBUWXZKWQJR-CYBMUJFWSA-N 2 2 242.407 2.028 20 0 BEADLP CCC[C@H](CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563437856 323125692 /nfs/dbraw/zinc/12/56/92/323125692.db2.gz APXFRWLDNOUJSE-NSHDSACASA-N 2 2 209.337 2.397 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)CC ZINC000571156849 323136837 /nfs/dbraw/zinc/13/68/37/323136837.db2.gz IBUZHEGBAROISL-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)CC ZINC000571156849 323136838 /nfs/dbraw/zinc/13/68/38/323136838.db2.gz IBUZHEGBAROISL-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CCc1ccc[nH+]c1NCc1c[nH+]c(C)n1C ZINC000571538017 323147627 /nfs/dbraw/zinc/14/76/27/323147627.db2.gz NWBHUWBIALKAGB-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414843590 323151639 /nfs/dbraw/zinc/15/16/39/323151639.db2.gz JRQOHIXASAKHQK-LBPRGKRZSA-N 2 2 236.334 2.230 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)o1 ZINC000531939806 323155343 /nfs/dbraw/zinc/15/53/43/323155343.db2.gz CMPKOBLSPJGXMW-WCQYABFASA-N 2 2 248.370 2.345 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)o1 ZINC000531939806 323155344 /nfs/dbraw/zinc/15/53/44/323155344.db2.gz CMPKOBLSPJGXMW-WCQYABFASA-N 2 2 248.370 2.345 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)o1 ZINC000531939805 323155448 /nfs/dbraw/zinc/15/54/48/323155448.db2.gz CMPKOBLSPJGXMW-DGCLKSJQSA-N 2 2 248.370 2.345 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)o1 ZINC000531939805 323155449 /nfs/dbraw/zinc/15/54/49/323155449.db2.gz CMPKOBLSPJGXMW-DGCLKSJQSA-N 2 2 248.370 2.345 20 0 BEADLP Cc1ccncc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395091943 323186943 /nfs/dbraw/zinc/18/69/43/323186943.db2.gz VFAIHQFWQRTACP-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(O)c1 ZINC000535763281 323190684 /nfs/dbraw/zinc/19/06/84/323190684.db2.gz SMIHVEMHKNPBFN-AWEZNQCLSA-N 2 2 248.370 2.308 20 0 BEADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(O)c1 ZINC000535763281 323190685 /nfs/dbraw/zinc/19/06/85/323190685.db2.gz SMIHVEMHKNPBFN-AWEZNQCLSA-N 2 2 248.370 2.308 20 0 BEADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(O)c1 ZINC000535763281 323190686 /nfs/dbraw/zinc/19/06/86/323190686.db2.gz SMIHVEMHKNPBFN-AWEZNQCLSA-N 2 2 248.370 2.308 20 0 BEADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(O)c1 ZINC000535763281 323190687 /nfs/dbraw/zinc/19/06/87/323190687.db2.gz SMIHVEMHKNPBFN-AWEZNQCLSA-N 2 2 248.370 2.308 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1(C)CC1 ZINC000309110279 323318455 /nfs/dbraw/zinc/31/84/55/323318455.db2.gz JKNXUFOIYDXAHX-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1(C)CC1 ZINC000309110279 323318456 /nfs/dbraw/zinc/31/84/56/323318456.db2.gz JKNXUFOIYDXAHX-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321341862 323380718 /nfs/dbraw/zinc/38/07/18/323380718.db2.gz BMXOJSYYQCZMAQ-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000459370118 324146198 /nfs/dbraw/zinc/14/61/98/324146198.db2.gz WYCLBQYIDVDAHE-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000459370118 324146200 /nfs/dbraw/zinc/14/62/00/324146200.db2.gz WYCLBQYIDVDAHE-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400796077 324168784 /nfs/dbraw/zinc/16/87/84/324168784.db2.gz SUWIYEUAVOZYPO-SWLSCSKDSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529529550 324325763 /nfs/dbraw/zinc/32/57/63/324325763.db2.gz BYSQKQUSVGBBPF-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529529550 324325767 /nfs/dbraw/zinc/32/57/67/324325767.db2.gz BYSQKQUSVGBBPF-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CC(F)(F)C1 ZINC000529539631 324330858 /nfs/dbraw/zinc/33/08/58/324330858.db2.gz VEGDQDGJWZHPEH-VHSXEESVSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CC(F)(F)C1 ZINC000529539631 324330852 /nfs/dbraw/zinc/33/08/52/324330852.db2.gz VEGDQDGJWZHPEH-VHSXEESVSA-N 2 2 246.345 2.493 20 0 BEADLP C[N@@H+](Cc1ccc2cc[nH]c2c1)CC1C[NH+](C)C1 ZINC000529618953 324365917 /nfs/dbraw/zinc/36/59/17/324365917.db2.gz AWGSSBKPWSODNK-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@H+](Cc1ccc2cc[nH]c2c1)CC1C[NH+](C)C1 ZINC000529618953 324365921 /nfs/dbraw/zinc/36/59/21/324365921.db2.gz AWGSSBKPWSODNK-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP Cc1ccc(CCC[NH2+]CC23CC(C2)CO3)c[nH+]1 ZINC000529661361 324372380 /nfs/dbraw/zinc/37/23/80/324372380.db2.gz CCENEVKEIMHDTF-UHFFFAOYSA-N 2 2 246.354 2.091 20 0 BEADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncccc1F ZINC000530225817 324545690 /nfs/dbraw/zinc/54/56/90/324545690.db2.gz WUQYOJUUAUTQGB-WSMDXJOWSA-N 2 2 249.333 2.154 20 0 BEADLP CCc1cc(N2CCc3c[nH+]ccc32)nc(C)[nH+]1 ZINC000542020228 325004798 /nfs/dbraw/zinc/00/47/98/325004798.db2.gz VHAMFAJREMXVRR-UHFFFAOYSA-N 2 2 240.310 2.437 20 0 BEADLP C[C@@H](C1CC1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000130674491 325079569 /nfs/dbraw/zinc/07/95/69/325079569.db2.gz OOKVNFRJPQSNTH-NSHDSACASA-N 2 2 219.332 2.146 20 0 BEADLP C[C@@H](C1CC1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000130674491 325079570 /nfs/dbraw/zinc/07/95/70/325079570.db2.gz OOKVNFRJPQSNTH-NSHDSACASA-N 2 2 219.332 2.146 20 0 BEADLP CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000131373115 325143546 /nfs/dbraw/zinc/14/35/46/325143546.db2.gz CXKRVHXWTNKDBN-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000131373115 325143549 /nfs/dbraw/zinc/14/35/49/325143549.db2.gz CXKRVHXWTNKDBN-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000131462420 325153494 /nfs/dbraw/zinc/15/34/94/325153494.db2.gz BMOXADKKTIIJHL-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131462420 325153497 /nfs/dbraw/zinc/15/34/97/325153497.db2.gz BMOXADKKTIIJHL-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)o1 ZINC000564315743 325336453 /nfs/dbraw/zinc/33/64/53/325336453.db2.gz VYAJNMPGBYHHNG-UHFFFAOYSA-N 2 2 230.739 2.317 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)o1 ZINC000564315743 325336455 /nfs/dbraw/zinc/33/64/55/325336455.db2.gz VYAJNMPGBYHHNG-UHFFFAOYSA-N 2 2 230.739 2.317 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCC2CC2)n1C ZINC000572542802 325709669 /nfs/dbraw/zinc/70/96/69/325709669.db2.gz NPROOZNMSAPNQR-UHFFFAOYSA-N 2 2 207.321 2.008 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)(F)F ZINC000564791805 325809388 /nfs/dbraw/zinc/80/93/88/325809388.db2.gz IYQBXCZOBIAPKB-AEJSXWLSSA-N 2 2 220.307 2.008 20 0 BEADLP Cc1c[nH+]c(C)nc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000566481921 326055775 /nfs/dbraw/zinc/05/57/75/326055775.db2.gz IWGXYBMIHBWOLI-YHWZYXNKSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1c[nH+]c(C)nc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000566481921 326055778 /nfs/dbraw/zinc/05/57/78/326055778.db2.gz IWGXYBMIHBWOLI-YHWZYXNKSA-N 2 2 246.358 2.131 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000566678093 326073567 /nfs/dbraw/zinc/07/35/67/326073567.db2.gz PYLOLBKUKAIMRC-UHXUPSOCSA-N 2 2 240.366 2.339 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000566678093 326073568 /nfs/dbraw/zinc/07/35/68/326073568.db2.gz PYLOLBKUKAIMRC-UHXUPSOCSA-N 2 2 240.366 2.339 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCC(C)(C)C)n1C ZINC000566749589 326080360 /nfs/dbraw/zinc/08/03/60/326080360.db2.gz VBVIQIBHETXOTD-UHFFFAOYSA-N 2 2 209.337 2.254 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CO2 ZINC000566791070 326082810 /nfs/dbraw/zinc/08/28/10/326082810.db2.gz NQHAANNIKOHYSH-FPMFFAJLSA-N 2 2 246.354 2.159 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)s1 ZINC000566902219 326092410 /nfs/dbraw/zinc/09/24/10/326092410.db2.gz CEMUPBGWPFYOGQ-NOZJJQNGSA-N 2 2 238.400 2.453 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000153952508 326122179 /nfs/dbraw/zinc/12/21/79/326122179.db2.gz KMLHEAGEXXJJCD-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000153952508 326122181 /nfs/dbraw/zinc/12/21/81/326122181.db2.gz KMLHEAGEXXJJCD-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000153952508 326122182 /nfs/dbraw/zinc/12/21/82/326122182.db2.gz KMLHEAGEXXJJCD-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000153952508 326122184 /nfs/dbraw/zinc/12/21/84/326122184.db2.gz KMLHEAGEXXJJCD-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP CC[C@H](COC)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000157041184 326253680 /nfs/dbraw/zinc/25/36/80/326253680.db2.gz WJEJRXVGETUDCH-GFCCVEGCSA-N 2 2 247.342 2.157 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cscn1 ZINC000568254087 326335517 /nfs/dbraw/zinc/33/55/17/326335517.db2.gz DFHZZLZHPCXYGF-IVZWLZJFSA-N 2 2 225.361 2.064 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568828152 326378205 /nfs/dbraw/zinc/37/82/05/326378205.db2.gz PMLBDHWQKPPUSD-MELADBBJSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568828152 326378206 /nfs/dbraw/zinc/37/82/06/326378206.db2.gz PMLBDHWQKPPUSD-MELADBBJSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](c1ccccn1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568828152 326378207 /nfs/dbraw/zinc/37/82/07/326378207.db2.gz PMLBDHWQKPPUSD-MELADBBJSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](c1ccccn1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568828152 326378208 /nfs/dbraw/zinc/37/82/08/326378208.db2.gz PMLBDHWQKPPUSD-MELADBBJSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cscn1 ZINC000568856703 326379337 /nfs/dbraw/zinc/37/93/37/326379337.db2.gz VQUHEUXSXANKMJ-CMPLNLGQSA-N 2 2 239.388 2.183 20 0 BEADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cscn1 ZINC000568856704 326379388 /nfs/dbraw/zinc/37/93/88/326379388.db2.gz VQUHEUXSXANKMJ-JQWIXIFHSA-N 2 2 239.388 2.183 20 0 BEADLP CCn1cc[nH+]c1CNc1ccc(C[NH2+]C)cc1 ZINC000569090439 326389409 /nfs/dbraw/zinc/38/94/09/326389409.db2.gz XVVWDDSSQPPIPM-UHFFFAOYSA-N 2 2 244.342 2.235 20 0 BEADLP C[NH2+]C(C)(C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000677232136 488002986 /nfs/dbraw/zinc/00/29/86/488002986.db2.gz SKXPEYIPPJUGAV-UHFFFAOYSA-N 2 2 236.363 2.184 20 0 BEADLP CCC[C@@H](C)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667506811 488033397 /nfs/dbraw/zinc/03/33/97/488033397.db2.gz NTDMZLPHSQVKIY-SNVBAGLBSA-N 2 2 209.337 2.349 20 0 BEADLP CCC[C@@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667506811 488033398 /nfs/dbraw/zinc/03/33/98/488033398.db2.gz NTDMZLPHSQVKIY-SNVBAGLBSA-N 2 2 209.337 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C(C)C)C2CC2)n1C ZINC000667517216 488036730 /nfs/dbraw/zinc/03/67/30/488036730.db2.gz WJCIPWGMNJEGII-UHFFFAOYSA-N 2 2 207.321 2.101 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C(C)C)C2CC2)n1C ZINC000667517216 488036733 /nfs/dbraw/zinc/03/67/33/488036733.db2.gz WJCIPWGMNJEGII-UHFFFAOYSA-N 2 2 207.321 2.101 20 0 BEADLP CC[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667531753 488037923 /nfs/dbraw/zinc/03/79/23/488037923.db2.gz OYFRXSXPGQXZJF-GFCCVEGCSA-N 2 2 233.359 2.451 20 0 BEADLP CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667531753 488037929 /nfs/dbraw/zinc/03/79/29/488037929.db2.gz OYFRXSXPGQXZJF-GFCCVEGCSA-N 2 2 233.359 2.451 20 0 BEADLP CC[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667531955 488038157 /nfs/dbraw/zinc/03/81/57/488038157.db2.gz XHUYCGCPXNIEAH-LBPRGKRZSA-N 2 2 221.348 2.351 20 0 BEADLP CC[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667531955 488038159 /nfs/dbraw/zinc/03/81/59/488038159.db2.gz XHUYCGCPXNIEAH-LBPRGKRZSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C(C2CC2)C2CC2)n1C ZINC000667565054 488047665 /nfs/dbraw/zinc/04/76/65/488047665.db2.gz HRIPZPYKQUDZHK-UHFFFAOYSA-N 2 2 233.359 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)C(C2CC2)C2CC2)n1C ZINC000667565054 488047667 /nfs/dbraw/zinc/04/76/67/488047667.db2.gz HRIPZPYKQUDZHK-UHFFFAOYSA-N 2 2 233.359 2.349 20 0 BEADLP Fc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1F ZINC000236184942 488050116 /nfs/dbraw/zinc/05/01/16/488050116.db2.gz JLQRIXUWIFASAC-NSHDSACASA-N 2 2 240.297 2.197 20 0 BEADLP CCCc1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663500796 488050675 /nfs/dbraw/zinc/05/06/75/488050675.db2.gz OJEWPTSHIKFPQH-UHFFFAOYSA-N 2 2 244.382 2.481 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCCC[C@@H]2C)n1C ZINC000667632044 488065447 /nfs/dbraw/zinc/06/54/47/488065447.db2.gz PMCSANIMFZMGEC-NSHDSACASA-N 2 2 221.348 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCCC[C@@H]2C)n1C ZINC000667632044 488065450 /nfs/dbraw/zinc/06/54/50/488065450.db2.gz PMCSANIMFZMGEC-NSHDSACASA-N 2 2 221.348 2.493 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650787 488074490 /nfs/dbraw/zinc/07/44/90/488074490.db2.gz DLOFNPKVEOFGKZ-NWDGAFQWSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650787 488074491 /nfs/dbraw/zinc/07/44/91/488074491.db2.gz DLOFNPKVEOFGKZ-NWDGAFQWSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667664536 488080271 /nfs/dbraw/zinc/08/02/71/488080271.db2.gz NLPVPLZAWZTGIK-GHMZBOCLSA-N 2 2 219.332 2.060 20 0 BEADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667664536 488080272 /nfs/dbraw/zinc/08/02/72/488080272.db2.gz NLPVPLZAWZTGIK-GHMZBOCLSA-N 2 2 219.332 2.060 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(CC[NH+](C)C)cc1 ZINC000656369598 488081427 /nfs/dbraw/zinc/08/14/27/488081427.db2.gz GIOKUUSIJWYMIN-UHFFFAOYSA-N 2 2 229.327 2.191 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)CCc2cccs2)n1C ZINC000667671155 488082918 /nfs/dbraw/zinc/08/29/18/488082918.db2.gz JGSQJBQIUBVUKN-UHFFFAOYSA-N 2 2 249.383 2.465 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)CCc2cccs2)n1C ZINC000667671155 488082924 /nfs/dbraw/zinc/08/29/24/488082924.db2.gz JGSQJBQIUBVUKN-UHFFFAOYSA-N 2 2 249.383 2.465 20 0 BEADLP Cc1ccnc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000683010616 488090619 /nfs/dbraw/zinc/09/06/19/488090619.db2.gz CIFDNNGOQCENOW-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccnc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000683010616 488090622 /nfs/dbraw/zinc/09/06/22/488090622.db2.gz CIFDNNGOQCENOW-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1C ZINC000667699241 488092570 /nfs/dbraw/zinc/09/25/70/488092570.db2.gz WWWBYTLZFLWEPP-AOOOYVTPSA-N 2 2 207.321 2.101 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1C ZINC000667699241 488092578 /nfs/dbraw/zinc/09/25/78/488092578.db2.gz WWWBYTLZFLWEPP-AOOOYVTPSA-N 2 2 207.321 2.101 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2cnccc21 ZINC000168647478 487536452 /nfs/dbraw/zinc/53/64/52/487536452.db2.gz YMGPUJSHLAPUEY-LBPRGKRZSA-N 2 2 243.354 2.275 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCCCCC2)n1C ZINC000258322728 488111769 /nfs/dbraw/zinc/11/17/69/488111769.db2.gz WNJZQPQGTLDUOK-UHFFFAOYSA-N 2 2 207.321 2.105 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)C1CC1 ZINC000378959787 488113644 /nfs/dbraw/zinc/11/36/44/488113644.db2.gz PGLQBNDWVQBBJV-UZGDPCLZSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)C1CC1 ZINC000378959787 488113647 /nfs/dbraw/zinc/11/36/47/488113647.db2.gz PGLQBNDWVQBBJV-UZGDPCLZSA-N 2 2 222.376 2.247 20 0 BEADLP Fc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000232104446 488118461 /nfs/dbraw/zinc/11/84/61/488118461.db2.gz INKVHSVASFCWTP-ZDUSSCGKSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000086727498 487537517 /nfs/dbraw/zinc/53/75/17/487537517.db2.gz UOQMQZCDYMTAQO-STQMWFEESA-N 2 2 218.344 2.316 20 0 BEADLP C[NH+](C)CC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC000403717302 488133877 /nfs/dbraw/zinc/13/38/77/488133877.db2.gz YYUXNIKSSHNZED-MCIONIFRSA-N 2 2 236.403 2.497 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000162117788 487539918 /nfs/dbraw/zinc/53/99/18/487539918.db2.gz NSSAZQYLTUOFCB-SECBINFHSA-N 2 2 212.724 2.038 20 0 BEADLP c1cn(-c2ccc(C[NH+]3CC4(CC4)C3)cc2)c[nH+]1 ZINC000334742990 487551231 /nfs/dbraw/zinc/55/12/31/487551231.db2.gz PFXVORLTHBCEAX-UHFFFAOYSA-N 2 2 239.322 2.468 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)C[C@@H]2C)n1C ZINC000668240542 487532227 /nfs/dbraw/zinc/53/22/27/487532227.db2.gz LKADGZAOLJQBTD-JTQLQIEISA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)C[C@@H]2C)n1C ZINC000668240542 487532233 /nfs/dbraw/zinc/53/22/33/487532233.db2.gz LKADGZAOLJQBTD-JTQLQIEISA-N 2 2 221.348 2.349 20 0 BEADLP COC1(C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)CCC1 ZINC000683227941 488135243 /nfs/dbraw/zinc/13/52/43/488135243.db2.gz GXTOITMTUOBAKR-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000683227941 488135248 /nfs/dbraw/zinc/13/52/48/488135248.db2.gz GXTOITMTUOBAKR-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc[nH+]c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000675286767 487480870 /nfs/dbraw/zinc/48/08/70/487480870.db2.gz GXADHHGLYRJECD-CYBMUJFWSA-N 2 2 242.326 2.428 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000324056096 487506871 /nfs/dbraw/zinc/50/68/71/487506871.db2.gz ZFFAEXHCYFDMHU-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000324056096 487506874 /nfs/dbraw/zinc/50/68/74/487506874.db2.gz ZFFAEXHCYFDMHU-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304556196 487510671 /nfs/dbraw/zinc/51/06/71/487510671.db2.gz KRPSYXSZWCOBNW-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304556196 487510674 /nfs/dbraw/zinc/51/06/74/487510674.db2.gz KRPSYXSZWCOBNW-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2cnccc2c1 ZINC000666718795 487865182 /nfs/dbraw/zinc/86/51/82/487865182.db2.gz HUPIIOHKSMKHEF-NHYWBVRUSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2cnccc2c1 ZINC000666718795 487865184 /nfs/dbraw/zinc/86/51/84/487865184.db2.gz HUPIIOHKSMKHEF-NHYWBVRUSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1[nH+]cc(C[NH+]2Cc3ccccc3C2)n1C ZINC000667602255 488057191 /nfs/dbraw/zinc/05/71/91/488057191.db2.gz XMFKARQLOMGBPF-UHFFFAOYSA-N 2 2 227.311 2.244 20 0 BEADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)n2c1 ZINC000668676719 488098892 /nfs/dbraw/zinc/09/88/92/488098892.db2.gz DXJJFLJTZPBEND-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)n2c1 ZINC000668676719 488098899 /nfs/dbraw/zinc/09/88/99/488098899.db2.gz DXJJFLJTZPBEND-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP CC(C)COCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000167598463 488181067 /nfs/dbraw/zinc/18/10/67/488181067.db2.gz AQWZWJHVBKIISN-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000167598463 488181073 /nfs/dbraw/zinc/18/10/73/488181073.db2.gz AQWZWJHVBKIISN-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1C1CC1 ZINC000310252923 488183620 /nfs/dbraw/zinc/18/36/20/488183620.db2.gz DXUBXKTZFPIPTI-IAQYHMDHSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1C1CC1 ZINC000310252923 488183625 /nfs/dbraw/zinc/18/36/25/488183625.db2.gz DXUBXKTZFPIPTI-IAQYHMDHSA-N 2 2 230.355 2.486 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000678073512 488191819 /nfs/dbraw/zinc/19/18/19/488191819.db2.gz WBXDBVCPDKMBCZ-OWCLPIDISA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000678073512 488191821 /nfs/dbraw/zinc/19/18/21/488191821.db2.gz WBXDBVCPDKMBCZ-OWCLPIDISA-N 2 2 244.382 2.474 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)C[C@H]2C)n1C ZINC000668064619 488197220 /nfs/dbraw/zinc/19/72/20/488197220.db2.gz RROWEDYVXBYCNR-LLVKDONJSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)n1C ZINC000668064619 488197222 /nfs/dbraw/zinc/19/72/22/488197222.db2.gz RROWEDYVXBYCNR-LLVKDONJSA-N 2 2 233.359 2.493 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668172620 488214130 /nfs/dbraw/zinc/21/41/30/488214130.db2.gz QSTABGHDSSTBKN-PWSUYJOCSA-N 2 2 221.348 2.491 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668172620 488214134 /nfs/dbraw/zinc/21/41/34/488214134.db2.gz QSTABGHDSSTBKN-PWSUYJOCSA-N 2 2 221.348 2.491 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398805577 488224776 /nfs/dbraw/zinc/22/47/76/488224776.db2.gz PFTAJYGEQRDXBF-DGCLKSJQSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398805577 488224780 /nfs/dbraw/zinc/22/47/80/488224780.db2.gz PFTAJYGEQRDXBF-DGCLKSJQSA-N 2 2 210.365 2.378 20 0 BEADLP CC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000683830056 488226279 /nfs/dbraw/zinc/22/62/79/488226279.db2.gz QMNGAVHBEBHYLR-LBPRGKRZSA-N 2 2 219.332 2.320 20 0 BEADLP CC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000683830056 488226282 /nfs/dbraw/zinc/22/62/82/488226282.db2.gz QMNGAVHBEBHYLR-LBPRGKRZSA-N 2 2 219.332 2.320 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CCOC3CCC3)C2)c[nH+]1 ZINC000672540098 488259037 /nfs/dbraw/zinc/25/90/37/488259037.db2.gz DOYVRSDYRBYJCZ-CYBMUJFWSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CCOC3CCC3)C2)c[nH+]1 ZINC000672540098 488259039 /nfs/dbraw/zinc/25/90/39/488259039.db2.gz DOYVRSDYRBYJCZ-CYBMUJFWSA-N 2 2 249.358 2.089 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000678596431 488269914 /nfs/dbraw/zinc/26/99/14/488269914.db2.gz QDBDXVUWKVBUJV-GXTWGEPZSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000678596431 488269916 /nfs/dbraw/zinc/26/99/16/488269916.db2.gz QDBDXVUWKVBUJV-GXTWGEPZSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000678596434 488270054 /nfs/dbraw/zinc/27/00/54/488270054.db2.gz QDBDXVUWKVBUJV-TZMCWYRMSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000678596434 488270057 /nfs/dbraw/zinc/27/00/57/488270057.db2.gz QDBDXVUWKVBUJV-TZMCWYRMSA-N 2 2 236.403 2.495 20 0 BEADLP FC1(F)CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000678609353 488272621 /nfs/dbraw/zinc/27/26/21/488272621.db2.gz MBANLEJWQCKKBF-NSHDSACASA-N 2 2 244.329 2.391 20 0 BEADLP FC1(F)CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000678609353 488272623 /nfs/dbraw/zinc/27/26/23/488272623.db2.gz MBANLEJWQCKKBF-NSHDSACASA-N 2 2 244.329 2.391 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684379062 488300638 /nfs/dbraw/zinc/30/06/38/488300638.db2.gz OTLAMQHJMXNMPC-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684379062 488300639 /nfs/dbraw/zinc/30/06/39/488300639.db2.gz OTLAMQHJMXNMPC-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000684388963 488304243 /nfs/dbraw/zinc/30/42/43/488304243.db2.gz YPENKSOWQXEZAM-GJZGRUSLSA-N 2 2 248.370 2.480 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000684388964 488304302 /nfs/dbraw/zinc/30/43/02/488304302.db2.gz YPENKSOWQXEZAM-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H](CCCCO)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000679332307 488340969 /nfs/dbraw/zinc/34/09/69/488340969.db2.gz UJRNIGITZIWGGD-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1CCC(C)(C)[N@@H+]1CCc1c[nH+]cn1C ZINC000334798030 490099772 /nfs/dbraw/zinc/09/97/72/490099772.db2.gz PVJZFMGHEOMCQI-LLVKDONJSA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1CCC(C)(C)[N@H+]1CCc1c[nH+]cn1C ZINC000334798030 490099774 /nfs/dbraw/zinc/09/97/74/490099774.db2.gz PVJZFMGHEOMCQI-LLVKDONJSA-N 2 2 221.348 2.226 20 0 BEADLP CC(C)c1nc(NC[C@H](C)[N@H+](C)C2CC2)cc[nH+]1 ZINC000110519568 490106672 /nfs/dbraw/zinc/10/66/72/490106672.db2.gz ZGYQKMOGSBCLBN-NSHDSACASA-N 2 2 248.374 2.495 20 0 BEADLP CC(C)c1nc(NC[C@H](C)[N@@H+](C)C2CC2)cc[nH+]1 ZINC000110519568 490106674 /nfs/dbraw/zinc/10/66/74/490106674.db2.gz ZGYQKMOGSBCLBN-NSHDSACASA-N 2 2 248.374 2.495 20 0 BEADLP CCCCOCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071201382 490258767 /nfs/dbraw/zinc/25/87/67/490258767.db2.gz WVWORBCUZFJGGV-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCOCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071201382 490258772 /nfs/dbraw/zinc/25/87/72/490258772.db2.gz WVWORBCUZFJGGV-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1C1CC1 ZINC000130289781 490370529 /nfs/dbraw/zinc/37/05/29/490370529.db2.gz ADPGAQLPOHWRRK-YPMHNXCESA-N 2 2 246.354 2.107 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1C1CC1 ZINC000130289781 490370532 /nfs/dbraw/zinc/37/05/32/490370532.db2.gz ADPGAQLPOHWRRK-YPMHNXCESA-N 2 2 246.354 2.107 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000537964319 490396400 /nfs/dbraw/zinc/39/64/00/490396400.db2.gz MKPLULDWOJGIGR-IUODEOHRSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000537964319 490396409 /nfs/dbraw/zinc/39/64/09/490396409.db2.gz MKPLULDWOJGIGR-IUODEOHRSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cccn2c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c[nH+]c12 ZINC000668675539 490508746 /nfs/dbraw/zinc/50/87/46/490508746.db2.gz FANUGHGIUURKNX-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP Cc1cccn2c(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c[nH+]c12 ZINC000668675539 490508755 /nfs/dbraw/zinc/50/87/55/490508755.db2.gz FANUGHGIUURKNX-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397825370 490539571 /nfs/dbraw/zinc/53/95/71/490539571.db2.gz AWRPKRKGFVNXTL-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](C)SC1)C1CC1 ZINC000655704626 491062607 /nfs/dbraw/zinc/06/26/07/491062607.db2.gz HCELGOCDWGUIGA-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](C)SC1)C1CC1 ZINC000655704626 491062609 /nfs/dbraw/zinc/06/26/09/491062609.db2.gz HCELGOCDWGUIGA-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+](C)CCCOC ZINC000651237026 491052761 /nfs/dbraw/zinc/05/27/61/491052761.db2.gz PGATVNUAZYBDHF-ZDUSSCGKSA-N 2 2 244.423 2.369 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+](C)CCCOC ZINC000651237026 491052763 /nfs/dbraw/zinc/05/27/63/491052763.db2.gz PGATVNUAZYBDHF-ZDUSSCGKSA-N 2 2 244.423 2.369 20 0 BEADLP CCc1cc(N[C@H](C)Cn2cc[nH+]c2)nc(C)[nH+]1 ZINC000088760271 491108537 /nfs/dbraw/zinc/10/85/37/491108537.db2.gz OQIOAHYRZCSLOB-SNVBAGLBSA-N 2 2 245.330 2.045 20 0 BEADLP C[C@@H](C[N@H+](C)CC1C[NH+](C)C1)C(C)(C)C ZINC000668538628 491127290 /nfs/dbraw/zinc/12/72/90/491127290.db2.gz FNJLZERZFBUKOX-NSHDSACASA-N 2 2 212.381 2.162 20 0 BEADLP C[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)C(C)(C)C ZINC000668538628 491127291 /nfs/dbraw/zinc/12/72/91/491127291.db2.gz FNJLZERZFBUKOX-NSHDSACASA-N 2 2 212.381 2.162 20 0 BEADLP C[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668539597 491127496 /nfs/dbraw/zinc/12/74/96/491127496.db2.gz DUMZKQTVMDJCSJ-CVEARBPZSA-N 2 2 244.382 2.284 20 0 BEADLP C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CC1C[NH+](C)C1 ZINC000668539597 491127497 /nfs/dbraw/zinc/12/74/97/491127497.db2.gz DUMZKQTVMDJCSJ-CVEARBPZSA-N 2 2 244.382 2.284 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC1CCC1 ZINC000132384340 491135728 /nfs/dbraw/zinc/13/57/28/491135728.db2.gz GQHWKHLUXFJQDR-NWDGAFQWSA-N 2 2 221.348 2.440 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCF)C1 ZINC000308996541 491142023 /nfs/dbraw/zinc/14/20/23/491142023.db2.gz PVTLNMNEQFZQHI-GFCCVEGCSA-N 2 2 216.344 2.199 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCF)C1 ZINC000308996541 491142024 /nfs/dbraw/zinc/14/20/24/491142024.db2.gz PVTLNMNEQFZQHI-GFCCVEGCSA-N 2 2 216.344 2.199 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400576319 533743619 /nfs/dbraw/zinc/74/36/19/533743619.db2.gz OZDLEKZUIDHWCI-VGMNWLOBSA-N 2 2 224.270 2.057 20 0 BEADLP Cc1cc(F)ccc1C[N@H+](C)CCn1cc[nH+]c1 ZINC000488005077 533876229 /nfs/dbraw/zinc/87/62/29/533876229.db2.gz XWCJKTSKIZNNBI-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000488005077 533876237 /nfs/dbraw/zinc/87/62/37/533876237.db2.gz XWCJKTSKIZNNBI-UHFFFAOYSA-N 2 2 247.317 2.463 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494389312 533880467 /nfs/dbraw/zinc/88/04/67/533880467.db2.gz CBDOZOKVLLDRMV-AGIUHOORSA-N 2 2 233.359 2.366 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000400631246 533919165 /nfs/dbraw/zinc/91/91/65/533919165.db2.gz LRYLSCAQSCDCTA-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000299924176 536180400 /nfs/dbraw/zinc/18/04/00/536180400.db2.gz YRWSOSOGGCGYMM-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ncc(C)s1 ZINC000022863110 520622632 /nfs/dbraw/zinc/62/26/32/520622632.db2.gz KTSKKCSBKAMBRV-UHFFFAOYSA-N 2 2 241.404 2.273 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348245396 536375012 /nfs/dbraw/zinc/37/50/12/536375012.db2.gz OKRLSHZAWNVDGN-BZUAXINKSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348245396 536375013 /nfs/dbraw/zinc/37/50/13/536375013.db2.gz OKRLSHZAWNVDGN-BZUAXINKSA-N 2 2 244.382 2.474 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@@H]1C ZINC000346694037 536458650 /nfs/dbraw/zinc/45/86/50/536458650.db2.gz RMCAHNYGYZJBGX-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1C ZINC000346694037 536458652 /nfs/dbraw/zinc/45/86/52/536458652.db2.gz RMCAHNYGYZJBGX-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000309024787 528682956 /nfs/dbraw/zinc/68/29/56/528682956.db2.gz ZHBDUWOAUUABNX-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000486958227 529090456 /nfs/dbraw/zinc/09/04/56/529090456.db2.gz QVSSECLOEZNCHL-UJAVWCLSSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000486958227 529090460 /nfs/dbraw/zinc/09/04/60/529090460.db2.gz QVSSECLOEZNCHL-UJAVWCLSSA-N 2 2 245.370 2.169 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261557939 535042066 /nfs/dbraw/zinc/04/20/66/535042066.db2.gz CWHCSLMHHZBJIP-WFASDCNBSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261557939 535042069 /nfs/dbraw/zinc/04/20/69/535042069.db2.gz CWHCSLMHHZBJIP-WFASDCNBSA-N 2 2 248.370 2.395 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)C[C@H](C)O ZINC000348704954 535728497 /nfs/dbraw/zinc/72/84/97/535728497.db2.gz FVNOXRZAXGBZNF-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)C[C@H](C)O ZINC000348704954 535728504 /nfs/dbraw/zinc/72/85/04/535728504.db2.gz FVNOXRZAXGBZNF-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000086727249 535808502 /nfs/dbraw/zinc/80/85/02/535808502.db2.gz HOHSUJUNAXSJJZ-ZIAGYGMSSA-N 2 2 218.344 2.398 20 0 BEADLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1nccs1 ZINC000070717163 535894945 /nfs/dbraw/zinc/89/49/45/535894945.db2.gz OALNFOZSNXOFJH-NSHDSACASA-N 2 2 239.388 2.278 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nccs1 ZINC000168758032 535933718 /nfs/dbraw/zinc/93/37/18/535933718.db2.gz VOEDVDKSIQNVFU-MNOVXSKESA-N 2 2 239.388 2.326 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642980 536094719 /nfs/dbraw/zinc/09/47/19/536094719.db2.gz PLEGCUOLAORZRG-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000299924176 536180395 /nfs/dbraw/zinc/18/03/95/536180395.db2.gz YRWSOSOGGCGYMM-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP C[NH+]1CCC2(CCCN(c3cccc[nH+]3)C2)CC1 ZINC000376679470 536347185 /nfs/dbraw/zinc/34/71/85/536347185.db2.gz KFCVBRSGOUQGPN-UHFFFAOYSA-N 2 2 245.370 2.394 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219382618 536418018 /nfs/dbraw/zinc/41/80/18/536418018.db2.gz IXVOHGGXEITNNB-HNNXBMFYSA-N 2 2 232.371 2.406 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219382618 536418023 /nfs/dbraw/zinc/41/80/23/536418023.db2.gz IXVOHGGXEITNNB-HNNXBMFYSA-N 2 2 232.371 2.406 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348107731 566264094 /nfs/dbraw/zinc/26/40/94/566264094.db2.gz QIUUYEQMSBAREJ-LSDHHAIUSA-N 2 2 236.403 2.497 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)o1 ZINC000893322443 583099960 /nfs/dbraw/zinc/09/99/60/583099960.db2.gz UGUDFLCIEISZMQ-UHFFFAOYSA-N 2 2 240.347 2.110 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000853250606 588729503 /nfs/dbraw/zinc/72/95/03/588729503.db2.gz UVDFUVJBFAMZHB-LBPRGKRZSA-N 2 2 236.359 2.010 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)c1 ZINC000854233265 588781440 /nfs/dbraw/zinc/78/14/40/588781440.db2.gz XMFYKEDXSWZRIW-NEPJUHHUSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000854233091 588781586 /nfs/dbraw/zinc/78/15/86/588781586.db2.gz XHIWFECMEJHOCS-QWRGUYRKSA-N 2 2 224.323 2.393 20 0 BEADLP C[C@H](O)c1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674451 582948484 /nfs/dbraw/zinc/94/84/84/582948484.db2.gz VJEQDKWYTYAAPX-GRYCIOLGSA-N 2 2 249.358 2.030 20 0 BEADLP C[C@H](O)c1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000892674451 582948487 /nfs/dbraw/zinc/94/84/87/582948487.db2.gz VJEQDKWYTYAAPX-GRYCIOLGSA-N 2 2 249.358 2.030 20 0 BEADLP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000892721422 582968886 /nfs/dbraw/zinc/96/88/86/582968886.db2.gz NABQEMXVDYPJRG-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000892721422 582968887 /nfs/dbraw/zinc/96/88/87/582968887.db2.gz NABQEMXVDYPJRG-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP [NH3+]CCOc1ccc([NH2+]CC2CC=CC2)cc1 ZINC000852746160 583016294 /nfs/dbraw/zinc/01/62/94/583016294.db2.gz FGPFFZKIQAGQMZ-UHFFFAOYSA-N 2 2 232.327 2.402 20 0 BEADLP Cc1cc([NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1N ZINC000853248405 583031230 /nfs/dbraw/zinc/03/12/30/583031230.db2.gz SWWOVJNUDQUUAK-WDEREUQCSA-N 2 2 219.332 2.259 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894178095 583328336 /nfs/dbraw/zinc/32/83/36/583328336.db2.gz CMISXHJQCDACKH-YPMHNXCESA-N 2 2 237.347 2.095 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894178093 583328347 /nfs/dbraw/zinc/32/83/47/583328347.db2.gz CMISXHJQCDACKH-WCQYABFASA-N 2 2 237.347 2.095 20 0 BEADLP Fc1cccc(CCC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894231251 583384573 /nfs/dbraw/zinc/38/45/73/583384573.db2.gz OVWOQDUHIITJJU-UHFFFAOYSA-N 2 2 233.290 2.271 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000894240457 583387453 /nfs/dbraw/zinc/38/74/53/583387453.db2.gz SUJHPECIYYKIOQ-CYBMUJFWSA-N 2 2 231.274 2.326 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC3=CCCC3)CC[C@@H]21 ZINC000879579921 583440125 /nfs/dbraw/zinc/44/01/25/583440125.db2.gz QICCVPLTFHJIMB-KGLIPLIRSA-N 2 2 220.360 2.123 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](CC3=CCCC3)CC[C@@H]21 ZINC000879579921 583440127 /nfs/dbraw/zinc/44/01/27/583440127.db2.gz QICCVPLTFHJIMB-KGLIPLIRSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](CC3=CCCC3)CC[C@@H]21 ZINC000879579921 583440131 /nfs/dbraw/zinc/44/01/31/583440131.db2.gz QICCVPLTFHJIMB-KGLIPLIRSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC3=CCCC3)CC[C@@H]21 ZINC000879579921 583440135 /nfs/dbraw/zinc/44/01/35/583440135.db2.gz QICCVPLTFHJIMB-KGLIPLIRSA-N 2 2 220.360 2.123 20 0 BEADLP Cc1coc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000894853409 583532175 /nfs/dbraw/zinc/53/21/75/583532175.db2.gz XGILNNLJSNMQDH-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1coc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000894853409 583532176 /nfs/dbraw/zinc/53/21/76/583532176.db2.gz XGILNNLJSNMQDH-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1coc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000894853409 583532177 /nfs/dbraw/zinc/53/21/77/583532177.db2.gz XGILNNLJSNMQDH-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000894853409 583532178 /nfs/dbraw/zinc/53/21/78/583532178.db2.gz XGILNNLJSNMQDH-CQSZACIVSA-N 2 2 234.343 2.116 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2CSc3ccccc32)c[nH+]1 ZINC000894869442 583539457 /nfs/dbraw/zinc/53/94/57/583539457.db2.gz WQMZNTQNOPRJAM-JTQLQIEISA-N 2 2 245.351 2.389 20 0 BEADLP C[C@@H](CC[NH2+]Cc1cccnc1Cl)[NH+](C)C ZINC000895297755 583640090 /nfs/dbraw/zinc/64/00/90/583640090.db2.gz NYMFOQMSTPHKDL-JTQLQIEISA-N 2 2 241.766 2.165 20 0 BEADLP C[C@H](CC[NH2+]Cc1cccnc1Cl)[NH+](C)C ZINC000895297756 583640184 /nfs/dbraw/zinc/64/01/84/583640184.db2.gz NYMFOQMSTPHKDL-SNVBAGLBSA-N 2 2 241.766 2.165 20 0 BEADLP CC1=NO[C@@H](C[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000895304695 583642554 /nfs/dbraw/zinc/64/25/54/583642554.db2.gz PKKLJBCHCPVYMM-CQSZACIVSA-N 2 2 247.342 2.077 20 0 BEADLP CC1=NO[C@H](C[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000895305076 583643181 /nfs/dbraw/zinc/64/31/81/583643181.db2.gz TWOFAQVHZKRCDI-AWEZNQCLSA-N 2 2 247.342 2.077 20 0 BEADLP CCOc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)o1 ZINC000895428498 583668386 /nfs/dbraw/zinc/66/83/86/583668386.db2.gz HNMNSMPSWQAEKW-LLVKDONJSA-N 2 2 240.347 2.108 20 0 BEADLP CCOc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)o1 ZINC000895428499 583668732 /nfs/dbraw/zinc/66/87/32/583668732.db2.gz HNMNSMPSWQAEKW-NSHDSACASA-N 2 2 240.347 2.108 20 0 BEADLP Cc1ccc(C[NH2+]Cc2c(C)cc[nH+]c2N)o1 ZINC000895446688 583675808 /nfs/dbraw/zinc/67/58/08/583675808.db2.gz DJNUOMYDNLADGH-UHFFFAOYSA-N 2 2 231.299 2.163 20 0 BEADLP CCN1CC[C@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000895667518 583705493 /nfs/dbraw/zinc/70/54/93/583705493.db2.gz AMXOFXUWZYRXAH-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1ncc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000895670900 583706189 /nfs/dbraw/zinc/70/61/89/583706189.db2.gz ICWNRKGOIGHODP-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000896555566 583811906 /nfs/dbraw/zinc/81/19/06/583811906.db2.gz OPRMNVFOZGQDSW-WBMJQRKESA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000896555566 583811907 /nfs/dbraw/zinc/81/19/07/583811907.db2.gz OPRMNVFOZGQDSW-WBMJQRKESA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000896554149 583811951 /nfs/dbraw/zinc/81/19/51/583811951.db2.gz HUFFABBIENMPJL-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000896554149 583811953 /nfs/dbraw/zinc/81/19/53/583811953.db2.gz HUFFABBIENMPJL-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000796766060 583880788 /nfs/dbraw/zinc/88/07/88/583880788.db2.gz XXGPRWYOACXNDJ-SOUVJXGZSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000796766060 583880789 /nfs/dbraw/zinc/88/07/89/583880789.db2.gz XXGPRWYOACXNDJ-SOUVJXGZSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438318 583983549 /nfs/dbraw/zinc/98/35/49/583983549.db2.gz AEIKBXBAYCSMSI-RISCZKNCSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438318 583983550 /nfs/dbraw/zinc/98/35/50/583983550.db2.gz AEIKBXBAYCSMSI-RISCZKNCSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@H]1CCCCO1 ZINC000858367596 588948566 /nfs/dbraw/zinc/94/85/66/588948566.db2.gz SJCSPVAYVBBSDO-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@H]1CCCCO1 ZINC000858367596 588948568 /nfs/dbraw/zinc/94/85/68/588948568.db2.gz SJCSPVAYVBBSDO-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000729681637 584022477 /nfs/dbraw/zinc/02/24/77/584022477.db2.gz GGPCGJVLJXQJHP-VSKPTYQZSA-N 2 2 230.355 2.384 20 0 BEADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000729681637 584022478 /nfs/dbraw/zinc/02/24/78/584022478.db2.gz GGPCGJVLJXQJHP-VSKPTYQZSA-N 2 2 230.355 2.384 20 0 BEADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000729681635 584022707 /nfs/dbraw/zinc/02/27/07/584022707.db2.gz GGPCGJVLJXQJHP-NRMKIYEFSA-N 2 2 230.355 2.384 20 0 BEADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000729681635 584022709 /nfs/dbraw/zinc/02/27/09/584022709.db2.gz GGPCGJVLJXQJHP-NRMKIYEFSA-N 2 2 230.355 2.384 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000729682123 584022788 /nfs/dbraw/zinc/02/27/88/584022788.db2.gz NKKOSALNILZOEB-BRLPQQTGSA-N 2 2 246.354 2.002 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000729682123 584022791 /nfs/dbraw/zinc/02/27/91/584022791.db2.gz NKKOSALNILZOEB-BRLPQQTGSA-N 2 2 246.354 2.002 20 0 BEADLP C/C(=C/c1ccccc1)C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000729681638 584022797 /nfs/dbraw/zinc/02/27/97/584022797.db2.gz GGPCGJVLJXQJHP-WVUXNXBLSA-N 2 2 230.355 2.384 20 0 BEADLP C/C(=C/c1ccccc1)C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000729681638 584022799 /nfs/dbraw/zinc/02/27/99/584022799.db2.gz GGPCGJVLJXQJHP-WVUXNXBLSA-N 2 2 230.355 2.384 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000865734239 584028056 /nfs/dbraw/zinc/02/80/56/584028056.db2.gz ORWMKABWEMLCMV-PRULPYPASA-N 2 2 240.416 2.095 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000865734239 584028057 /nfs/dbraw/zinc/02/80/57/584028057.db2.gz ORWMKABWEMLCMV-PRULPYPASA-N 2 2 240.416 2.095 20 0 BEADLP Cl/C=C\C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932031 584030593 /nfs/dbraw/zinc/03/05/93/584030593.db2.gz SXKNIFONDUNLMI-MORRKMRCSA-N 2 2 225.723 2.273 20 0 BEADLP Cl/C=C\C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729932031 584030594 /nfs/dbraw/zinc/03/05/94/584030594.db2.gz SXKNIFONDUNLMI-MORRKMRCSA-N 2 2 225.723 2.273 20 0 BEADLP c1c[nH+]c(CNc2ccc(C3CC3)c[nH+]2)[nH]1 ZINC000897713131 584043024 /nfs/dbraw/zinc/04/30/24/584043024.db2.gz YADFTAVOCRMZIZ-UHFFFAOYSA-N 2 2 214.272 2.294 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797225 584049049 /nfs/dbraw/zinc/04/90/49/584049049.db2.gz FGKUMHXWDBSREG-UTUOFQBUSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897797225 584049050 /nfs/dbraw/zinc/04/90/50/584049050.db2.gz FGKUMHXWDBSREG-UTUOFQBUSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897955131 584065256 /nfs/dbraw/zinc/06/52/56/584065256.db2.gz PUCYQDXABPRKTC-BBIZWXPBSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897955131 584065258 /nfs/dbraw/zinc/06/52/58/584065258.db2.gz PUCYQDXABPRKTC-BBIZWXPBSA-N 2 2 234.387 2.247 20 0 BEADLP Cn1cccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897984641 584072021 /nfs/dbraw/zinc/07/20/21/584072021.db2.gz CCIKQSSUDSSNDT-UHFFFAOYSA-N 2 2 247.386 2.132 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017082 584075152 /nfs/dbraw/zinc/07/51/52/584075152.db2.gz IOQDCUNRXYWTDX-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898017082 584075153 /nfs/dbraw/zinc/07/51/53/584075153.db2.gz IOQDCUNRXYWTDX-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCC1 ZINC000898034501 584077940 /nfs/dbraw/zinc/07/79/40/584077940.db2.gz RBGGFSYWWFHMLY-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC000898034501 584077942 /nfs/dbraw/zinc/07/79/42/584077942.db2.gz RBGGFSYWWFHMLY-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C[NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898034482 584078286 /nfs/dbraw/zinc/07/82/86/584078286.db2.gz QJZRBGGJOTYOHA-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC1(C[NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898034482 584078287 /nfs/dbraw/zinc/07/82/87/584078287.db2.gz QJZRBGGJOTYOHA-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@@H+]1CCC(C)(C)C1)OC ZINC000898033935 584078566 /nfs/dbraw/zinc/07/85/66/584078566.db2.gz DORQYTOTBYGXFO-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@H+]1CCC(C)(C)C1)OC ZINC000898033935 584078567 /nfs/dbraw/zinc/07/85/67/584078567.db2.gz DORQYTOTBYGXFO-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000898034937 584079168 /nfs/dbraw/zinc/07/91/68/584079168.db2.gz CZRORHDAAMTGPZ-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCSC2)C1 ZINC000898034937 584079170 /nfs/dbraw/zinc/07/91/70/584079170.db2.gz CZRORHDAAMTGPZ-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C(C)(C)O ZINC000898123660 584084431 /nfs/dbraw/zinc/08/44/31/584084431.db2.gz LSBMASTYLBLKQD-LBPRGKRZSA-N 2 2 236.359 2.072 20 0 BEADLP CCn1c[nH+]cc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898159896 584087769 /nfs/dbraw/zinc/08/77/69/584087769.db2.gz IOTXOBSWJGJUJS-UHFFFAOYSA-N 2 2 245.326 2.171 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000898314377 584110677 /nfs/dbraw/zinc/11/06/77/584110677.db2.gz VCTTVTUUBPDLPU-RWMBFGLXSA-N 2 2 244.448 2.304 20 0 BEADLP Cc1cccn2c(C[NH2+]C/C=C/Cl)c[nH+]c12 ZINC000898435658 584135683 /nfs/dbraw/zinc/13/56/83/584135683.db2.gz LIUHXJKCHQPVNN-HWKANZROSA-N 2 2 235.718 2.485 20 0 BEADLP Cc1cc(C)c(CNc2cc[nH+]c(CO)c2)c[nH+]1 ZINC000858564685 588966630 /nfs/dbraw/zinc/96/66/30/588966630.db2.gz USCBDRSOHIGWQD-UHFFFAOYSA-N 2 2 243.310 2.198 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000902102435 584523283 /nfs/dbraw/zinc/52/32/83/584523283.db2.gz BGDPMEMOSBSAMR-CQSZACIVSA-N 2 2 247.386 2.221 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000902102435 584523285 /nfs/dbraw/zinc/52/32/85/584523285.db2.gz BGDPMEMOSBSAMR-CQSZACIVSA-N 2 2 247.386 2.221 20 0 BEADLP CCNc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000902104281 584523905 /nfs/dbraw/zinc/52/39/05/584523905.db2.gz ODCAXXUDEKQWDV-CQSZACIVSA-N 2 2 247.386 2.302 20 0 BEADLP CCNc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000902104281 584523906 /nfs/dbraw/zinc/52/39/06/584523906.db2.gz ODCAXXUDEKQWDV-CQSZACIVSA-N 2 2 247.386 2.302 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000902403017 584588280 /nfs/dbraw/zinc/58/82/80/584588280.db2.gz GGIPTMGMHODXGF-YPMHNXCESA-N 2 2 234.343 2.016 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CC2)s1 ZINC000902415836 584590528 /nfs/dbraw/zinc/59/05/28/584590528.db2.gz KSEGOELLVGTATF-QMMMGPOBSA-N 2 2 239.388 2.156 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434338 584595880 /nfs/dbraw/zinc/59/58/80/584595880.db2.gz NMDJJZNHUXHBSA-CJYSPXJISA-N 2 2 230.355 2.389 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902433433 584596026 /nfs/dbraw/zinc/59/60/26/584596026.db2.gz JXSPDXDTWABKOQ-MGPQQGTHSA-N 2 2 230.355 2.389 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902438987 584597154 /nfs/dbraw/zinc/59/71/54/584597154.db2.gz PYZDXHCNIHTOMV-RBSFLKMASA-N 2 2 230.355 2.389 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000902444295 584598289 /nfs/dbraw/zinc/59/82/89/584598289.db2.gz NBDBVBSCHQMPLS-DGCLKSJQSA-N 2 2 234.343 2.245 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000902444300 584598365 /nfs/dbraw/zinc/59/83/65/584598365.db2.gz NBDBVBSCHQMPLS-WCQYABFASA-N 2 2 234.343 2.245 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(F)c1F ZINC000902414087 584599821 /nfs/dbraw/zinc/59/98/21/584599821.db2.gz SARNZAXPJIRHBV-QMMMGPOBSA-N 2 2 226.270 2.107 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473107 584601299 /nfs/dbraw/zinc/60/12/99/584601299.db2.gz QXSMRNHBRGQYHY-IPOQPSJVSA-N 2 2 242.366 2.465 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902477885 584603494 /nfs/dbraw/zinc/60/34/94/584603494.db2.gz USXWENJWLLLWCW-WXMODFLSSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000902446666 584604016 /nfs/dbraw/zinc/60/40/16/584604016.db2.gz PVLYXJPYWMWGCM-MFKMUULPSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902447028 584604035 /nfs/dbraw/zinc/60/40/35/584604035.db2.gz QHBKSSLVCYUQKK-AAEUAGOBSA-N 2 2 218.344 2.335 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000902446658 584604037 /nfs/dbraw/zinc/60/40/37/584604037.db2.gz PVLYXJPYWMWGCM-GWCFXTLKSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(O)c1 ZINC000902448143 584604647 /nfs/dbraw/zinc/60/46/47/584604647.db2.gz CYLFWGIDXXFHSC-GXFFZTMASA-N 2 2 234.343 2.041 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902447395 584604768 /nfs/dbraw/zinc/60/47/68/584604768.db2.gz UHIBQLILBZHEJV-ONGXEEELSA-N 2 2 224.373 2.397 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000902448348 584605567 /nfs/dbraw/zinc/60/55/67/584605567.db2.gz ZNSKULAPEPOKFW-KGLIPLIRSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000902456482 584609985 /nfs/dbraw/zinc/60/99/85/584609985.db2.gz PDCBDYFFRSNCRI-UWVGGRQHSA-N 2 2 239.363 2.188 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466591 584614180 /nfs/dbraw/zinc/61/41/80/584614180.db2.gz MEHJTQNNVZCUBF-PSQHIMEXSA-N 2 2 246.329 2.296 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccnc1 ZINC000902482453 584623952 /nfs/dbraw/zinc/62/39/52/584623952.db2.gz LFXNFHLJSWABSI-JSGCOSHPSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C/C=C\Cl ZINC000902522869 584632116 /nfs/dbraw/zinc/63/21/16/584632116.db2.gz YXJIZJCLMWNOBL-XNVNWHNOSA-N 2 2 238.762 2.287 20 0 BEADLP CCNc1ccccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000902602769 584641420 /nfs/dbraw/zinc/64/14/20/584641420.db2.gz ADUGZUJUANTRIB-UHFFFAOYSA-N 2 2 247.386 2.301 20 0 BEADLP CCNc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000902654063 584651337 /nfs/dbraw/zinc/65/13/37/584651337.db2.gz YPXNOPUSOJZUGG-JSGCOSHPSA-N 2 2 247.386 2.301 20 0 BEADLP CCNc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000902654063 584651340 /nfs/dbraw/zinc/65/13/40/584651340.db2.gz YPXNOPUSOJZUGG-JSGCOSHPSA-N 2 2 247.386 2.301 20 0 BEADLP c1cn(CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC000902724843 584660977 /nfs/dbraw/zinc/66/09/77/584660977.db2.gz KAJYOEFOAUCEHH-RYUDHWBXSA-N 2 2 219.332 2.051 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902761319 584666292 /nfs/dbraw/zinc/66/62/92/584666292.db2.gz NJDWOFWOBPNGBJ-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902761319 584666294 /nfs/dbraw/zinc/66/62/94/584666294.db2.gz NJDWOFWOBPNGBJ-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902793938 584673288 /nfs/dbraw/zinc/67/32/88/584673288.db2.gz OYPUCVLISKNVQI-CRWXNKLISA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902793938 584673291 /nfs/dbraw/zinc/67/32/91/584673291.db2.gz OYPUCVLISKNVQI-CRWXNKLISA-N 2 2 234.387 2.391 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](F)C1 ZINC000902994516 584712399 /nfs/dbraw/zinc/71/23/99/584712399.db2.gz DFYYXBAGXKWFIJ-LBPRGKRZSA-N 2 2 216.344 2.152 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](F)C1 ZINC000902994516 584712400 /nfs/dbraw/zinc/71/24/00/584712400.db2.gz DFYYXBAGXKWFIJ-LBPRGKRZSA-N 2 2 216.344 2.152 20 0 BEADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](F)C1 ZINC000903002142 584716114 /nfs/dbraw/zinc/71/61/14/584716114.db2.gz WUOVXZFABKJGLJ-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](F)C1 ZINC000903002142 584716115 /nfs/dbraw/zinc/71/61/15/584716115.db2.gz WUOVXZFABKJGLJ-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](F)C1 ZINC000903002142 584716116 /nfs/dbraw/zinc/71/61/16/584716116.db2.gz WUOVXZFABKJGLJ-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](F)C1 ZINC000903002142 584716117 /nfs/dbraw/zinc/71/61/17/584716117.db2.gz WUOVXZFABKJGLJ-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000903063620 584722711 /nfs/dbraw/zinc/72/27/11/584722711.db2.gz GSVCSFJBWGRPLB-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000903063620 584722712 /nfs/dbraw/zinc/72/27/12/584722712.db2.gz GSVCSFJBWGRPLB-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000903071039 584726324 /nfs/dbraw/zinc/72/63/24/584726324.db2.gz GSVCSFJBWGRPLB-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000903071039 584726325 /nfs/dbraw/zinc/72/63/25/584726325.db2.gz GSVCSFJBWGRPLB-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161792 584731505 /nfs/dbraw/zinc/73/15/05/584731505.db2.gz OAXJUAIFPVNMFH-XABYNWHXSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000903161792 584731506 /nfs/dbraw/zinc/73/15/06/584731506.db2.gz OAXJUAIFPVNMFH-XABYNWHXSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162403 584731626 /nfs/dbraw/zinc/73/16/26/584731626.db2.gz FCRHZSOZNKWRDX-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162403 584731628 /nfs/dbraw/zinc/73/16/28/584731628.db2.gz FCRHZSOZNKWRDX-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903210700 584736854 /nfs/dbraw/zinc/73/68/54/584736854.db2.gz ZZPNUTMVXIVMJQ-ZFWWWQNUSA-N 2 2 245.370 2.217 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903210700 584736856 /nfs/dbraw/zinc/73/68/56/584736856.db2.gz ZZPNUTMVXIVMJQ-ZFWWWQNUSA-N 2 2 245.370 2.217 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300821 584744064 /nfs/dbraw/zinc/74/40/64/584744064.db2.gz LRNSTEJVGBLFHI-UMVBOHGHSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300821 584744065 /nfs/dbraw/zinc/74/40/65/584744065.db2.gz LRNSTEJVGBLFHI-UMVBOHGHSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300337 584744256 /nfs/dbraw/zinc/74/42/56/584744256.db2.gz GXRMNDPOMAWMDR-XUXIUFHCSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300337 584744258 /nfs/dbraw/zinc/74/42/58/584744258.db2.gz GXRMNDPOMAWMDR-XUXIUFHCSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301813 584744781 /nfs/dbraw/zinc/74/47/81/584744781.db2.gz UODPHURYVZSMGF-SIQYZQNWSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301813 584744782 /nfs/dbraw/zinc/74/47/82/584744782.db2.gz UODPHURYVZSMGF-SIQYZQNWSA-N 2 2 222.376 2.103 20 0 BEADLP C[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903338553 584751784 /nfs/dbraw/zinc/75/17/84/584751784.db2.gz IUWNEFUWGLNQHP-HNNXBMFYSA-N 2 2 245.370 2.217 20 0 BEADLP CC[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382703 584757523 /nfs/dbraw/zinc/75/75/23/584757523.db2.gz HDGGIDTYYJPRMG-OCCSQVGLSA-N 2 2 235.375 2.463 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903379145 584757526 /nfs/dbraw/zinc/75/75/26/584757526.db2.gz FVEBKSLCIJMOJA-SNPRPXQTSA-N 2 2 247.386 2.463 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439696 584762620 /nfs/dbraw/zinc/76/26/20/584762620.db2.gz LUTLMXBOCNQGGP-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439696 584762622 /nfs/dbraw/zinc/76/26/22/584762622.db2.gz LUTLMXBOCNQGGP-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903422355 584764262 /nfs/dbraw/zinc/76/42/62/584764262.db2.gz ZQKHXQZJXMPZTG-AWEZNQCLSA-N 2 2 243.354 2.481 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903422355 584764263 /nfs/dbraw/zinc/76/42/63/584764263.db2.gz ZQKHXQZJXMPZTG-AWEZNQCLSA-N 2 2 243.354 2.481 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1F ZINC000903422392 584764752 /nfs/dbraw/zinc/76/47/52/584764752.db2.gz BHBBNWCZNAHMQR-JTQLQIEISA-N 2 2 240.297 2.054 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1F ZINC000903422392 584764754 /nfs/dbraw/zinc/76/47/54/584764754.db2.gz BHBBNWCZNAHMQR-JTQLQIEISA-N 2 2 240.297 2.054 20 0 BEADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH2+]1 ZINC000903464608 584772039 /nfs/dbraw/zinc/77/20/39/584772039.db2.gz UAHRPCFNQVQBGF-MXWKQRLJSA-N 2 2 230.302 2.001 20 0 BEADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH2+]1 ZINC000903464608 584772041 /nfs/dbraw/zinc/77/20/41/584772041.db2.gz UAHRPCFNQVQBGF-MXWKQRLJSA-N 2 2 230.302 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477079 584777329 /nfs/dbraw/zinc/77/73/29/584777329.db2.gz SSNPHEAWEONABD-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903477079 584777330 /nfs/dbraw/zinc/77/73/30/584777330.db2.gz SSNPHEAWEONABD-ZWNOBZJWSA-N 2 2 229.327 2.089 20 0 BEADLP Cc1cncc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903476368 584777402 /nfs/dbraw/zinc/77/74/02/584777402.db2.gz VIITUVOHOZXHTK-CABCVRRESA-N 2 2 245.370 2.279 20 0 BEADLP Cc1cncc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903476368 584777403 /nfs/dbraw/zinc/77/74/03/584777403.db2.gz VIITUVOHOZXHTK-CABCVRRESA-N 2 2 245.370 2.279 20 0 BEADLP CC[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CC[NH2+]C1 ZINC000903481412 584778348 /nfs/dbraw/zinc/77/83/48/584778348.db2.gz BDGQUQYHIXVQMP-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP CC[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CC[NH2+]C1 ZINC000903481412 584778350 /nfs/dbraw/zinc/77/83/50/584778350.db2.gz BDGQUQYHIXVQMP-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903556771 584783216 /nfs/dbraw/zinc/78/32/16/584783216.db2.gz DMSJBXBBGLQWQE-CQSZACIVSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000903556771 584783218 /nfs/dbraw/zinc/78/32/18/584783218.db2.gz DMSJBXBBGLQWQE-CQSZACIVSA-N 2 2 232.371 2.418 20 0 BEADLP C[N@H+](Cc1ccccc1CF)[C@@H](C[NH3+])C1CC1 ZINC000903749588 584795121 /nfs/dbraw/zinc/79/51/21/584795121.db2.gz MLAGRVUXURQTQW-AWEZNQCLSA-N 2 2 236.334 2.325 20 0 BEADLP C[N@@H+](Cc1ccccc1CF)[C@@H](C[NH3+])C1CC1 ZINC000903749588 584795122 /nfs/dbraw/zinc/79/51/22/584795122.db2.gz MLAGRVUXURQTQW-AWEZNQCLSA-N 2 2 236.334 2.325 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903780840 584799604 /nfs/dbraw/zinc/79/96/04/584799604.db2.gz MNXNHRXLOJDRBL-CABCVRRESA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000903780840 584799605 /nfs/dbraw/zinc/79/96/05/584799605.db2.gz MNXNHRXLOJDRBL-CABCVRRESA-N 2 2 248.345 2.482 20 0 BEADLP C=C/C=C/CC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799123 584801252 /nfs/dbraw/zinc/80/12/52/584801252.db2.gz BLAQVOYMOMQUHF-LSMGEYOZSA-N 2 2 220.360 2.322 20 0 BEADLP C=C/C=C/CC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799123 584801254 /nfs/dbraw/zinc/80/12/54/584801254.db2.gz BLAQVOYMOMQUHF-LSMGEYOZSA-N 2 2 220.360 2.322 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000903822274 584803791 /nfs/dbraw/zinc/80/37/91/584803791.db2.gz YRLQXGQNUYDKPE-ZDUSSCGKSA-N 2 2 236.334 2.222 20 0 BEADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000903823904 584804663 /nfs/dbraw/zinc/80/46/63/584804663.db2.gz KTOQPLUKWPLGRC-GFCCVEGCSA-N 2 2 238.762 2.428 20 0 BEADLP COc1cccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903856852 584809983 /nfs/dbraw/zinc/80/99/83/584809983.db2.gz BHYFAHMKAXYUJT-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000903856852 584809984 /nfs/dbraw/zinc/80/99/84/584809984.db2.gz BHYFAHMKAXYUJT-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863359 584813148 /nfs/dbraw/zinc/81/31/48/584813148.db2.gz KVUKDCMRQONQJI-CABCVRRESA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863359 584813150 /nfs/dbraw/zinc/81/31/50/584813150.db2.gz KVUKDCMRQONQJI-CABCVRRESA-N 2 2 248.345 2.469 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c(C)n1 ZINC000903870325 584814672 /nfs/dbraw/zinc/81/46/72/584814672.db2.gz MYUXIATTZBALFH-HNNXBMFYSA-N 2 2 245.370 2.026 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c(C)n1 ZINC000903870325 584814673 /nfs/dbraw/zinc/81/46/73/584814673.db2.gz MYUXIATTZBALFH-HNNXBMFYSA-N 2 2 245.370 2.026 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903871888 584815225 /nfs/dbraw/zinc/81/52/25/584815225.db2.gz WPWAQDCZMNELPS-HNNXBMFYSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1cccnc1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903905998 584821081 /nfs/dbraw/zinc/82/10/81/584821081.db2.gz QWBUVQJXNKNGJM-KOLCDFICSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903905998 584821083 /nfs/dbraw/zinc/82/10/83/584821083.db2.gz QWBUVQJXNKNGJM-KOLCDFICSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903902974 584821368 /nfs/dbraw/zinc/82/13/68/584821368.db2.gz QDCBBXHYIOTOCO-VHSXEESVSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903902974 584821369 /nfs/dbraw/zinc/82/13/69/584821369.db2.gz QDCBBXHYIOTOCO-VHSXEESVSA-N 2 2 243.301 2.057 20 0 BEADLP C[NH2+]c1ccc(NC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903935912 584825870 /nfs/dbraw/zinc/82/58/70/584825870.db2.gz VYAUWHPOKOKKHL-QMMMGPOBSA-N 2 2 229.274 2.123 20 0 BEADLP CCCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960745 584828164 /nfs/dbraw/zinc/82/81/64/584828164.db2.gz XNXZSFXEDRCLOT-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP Nc1cc[nH+]c(C[NH2+]CC2CCCCC2)c1 ZINC000903950667 584831007 /nfs/dbraw/zinc/83/10/07/584831007.db2.gz QFAJOZPGBUEKFH-UHFFFAOYSA-N 2 2 219.332 2.334 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cc(C2CC2)no1 ZINC000903953637 584831282 /nfs/dbraw/zinc/83/12/82/584831282.db2.gz HUHDEFDMHPMVAK-NSHDSACASA-N 2 2 237.347 2.015 20 0 BEADLP CC(C)CCC[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903953818 584831680 /nfs/dbraw/zinc/83/16/80/584831680.db2.gz JXTGQRJMXQBWOG-UHFFFAOYSA-N 2 2 207.321 2.190 20 0 BEADLP C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CCCO1 ZINC000904307261 584862979 /nfs/dbraw/zinc/86/29/79/584862979.db2.gz NILXABRAMIUQLO-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1CCCO1 ZINC000904307261 584862981 /nfs/dbraw/zinc/86/29/81/584862981.db2.gz NILXABRAMIUQLO-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCCO1 ZINC000904307264 584863031 /nfs/dbraw/zinc/86/30/31/584863031.db2.gz NILXABRAMIUQLO-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@@H]1CCCO1 ZINC000904307264 584863032 /nfs/dbraw/zinc/86/30/32/584863032.db2.gz NILXABRAMIUQLO-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316832 584863864 /nfs/dbraw/zinc/86/38/64/584863864.db2.gz URZHCHJENXYXBV-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316832 584863865 /nfs/dbraw/zinc/86/38/65/584863865.db2.gz URZHCHJENXYXBV-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904350886 584869356 /nfs/dbraw/zinc/86/93/56/584869356.db2.gz RXARTPBFROFUIA-CHWSQXEVSA-N 3 2 243.439 2.247 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1cccnc1 ZINC000904368224 584872567 /nfs/dbraw/zinc/87/25/67/584872567.db2.gz OGQWKXLMSVTIMH-ZDUSSCGKSA-N 2 2 235.375 2.325 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000764767473 584928752 /nfs/dbraw/zinc/92/87/52/584928752.db2.gz IRXDUAHSUOTXEP-ZOWXZIJZSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000764767473 584928753 /nfs/dbraw/zinc/92/87/53/584928753.db2.gz IRXDUAHSUOTXEP-ZOWXZIJZSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000133608893 584944368 /nfs/dbraw/zinc/94/43/68/584944368.db2.gz CBGPTXVHSARJPE-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000133608893 584944369 /nfs/dbraw/zinc/94/43/69/584944369.db2.gz CBGPTXVHSARJPE-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP CCC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000753710296 585266704 /nfs/dbraw/zinc/26/67/04/585266704.db2.gz QCWIJJAPJJOTTI-UHFFFAOYSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000753710296 585266705 /nfs/dbraw/zinc/26/67/05/585266705.db2.gz QCWIJJAPJJOTTI-UHFFFAOYSA-N 2 2 240.391 2.160 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000756116817 585314609 /nfs/dbraw/zinc/31/46/09/585314609.db2.gz PZQIBWMUVLSPAT-FZMZJTMJSA-N 2 2 236.334 2.223 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000756116817 585314610 /nfs/dbraw/zinc/31/46/10/585314610.db2.gz PZQIBWMUVLSPAT-FZMZJTMJSA-N 2 2 236.334 2.223 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000757641866 585343591 /nfs/dbraw/zinc/34/35/91/585343591.db2.gz IFVNJGUXNCSIEH-NSHDSACASA-N 2 2 237.423 2.087 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000757641866 585343592 /nfs/dbraw/zinc/34/35/92/585343592.db2.gz IFVNJGUXNCSIEH-NSHDSACASA-N 2 2 237.423 2.087 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000765456055 585486949 /nfs/dbraw/zinc/48/69/49/585486949.db2.gz NGYZTSRVNPQYBI-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000765456055 585486950 /nfs/dbraw/zinc/48/69/50/585486950.db2.gz NGYZTSRVNPQYBI-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000767362594 585517775 /nfs/dbraw/zinc/51/77/75/585517775.db2.gz MMRBBADBPASEOY-SNVBAGLBSA-N 2 2 233.315 2.271 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC000767375130 585518505 /nfs/dbraw/zinc/51/85/05/585518505.db2.gz XOKGQSZNIOOLCG-IINYFYTJSA-N 2 2 236.359 2.469 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)o1 ZINC000767375130 585518506 /nfs/dbraw/zinc/51/85/06/585518506.db2.gz XOKGQSZNIOOLCG-IINYFYTJSA-N 2 2 236.359 2.469 20 0 BEADLP C[N@@H+](Cc1ccoc1)C[C@@H]1CCC[NH+](C)C1 ZINC000768545933 585540086 /nfs/dbraw/zinc/54/00/86/585540086.db2.gz GMQGWXXKUARCHY-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[N@H+](Cc1ccoc1)C[C@@H]1CCC[NH+](C)C1 ZINC000768545933 585540087 /nfs/dbraw/zinc/54/00/87/585540087.db2.gz GMQGWXXKUARCHY-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccoc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000768545933 585540088 /nfs/dbraw/zinc/54/00/88/585540088.db2.gz GMQGWXXKUARCHY-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccoc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768545933 585540089 /nfs/dbraw/zinc/54/00/89/585540089.db2.gz GMQGWXXKUARCHY-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(C(F)F)C1 ZINC000768676658 585541642 /nfs/dbraw/zinc/54/16/42/585541642.db2.gz RDSPIIQLFGITAG-UNXYVOJBSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccoc1 ZINC000777921382 585723970 /nfs/dbraw/zinc/72/39/70/585723970.db2.gz ZQFLCLFCBZWGRS-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccoc1 ZINC000777921382 585723971 /nfs/dbraw/zinc/72/39/71/585723971.db2.gz ZQFLCLFCBZWGRS-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccoc1 ZINC000777921382 585723972 /nfs/dbraw/zinc/72/39/72/585723972.db2.gz ZQFLCLFCBZWGRS-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccoc1 ZINC000777921382 585723973 /nfs/dbraw/zinc/72/39/73/585723973.db2.gz ZQFLCLFCBZWGRS-DGCLKSJQSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000782185625 585811198 /nfs/dbraw/zinc/81/11/98/585811198.db2.gz ZTRSUEZZPBNTFR-WCQYABFASA-N 2 2 219.332 2.319 20 0 BEADLP C[C@@H](C1CC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000782185625 585811199 /nfs/dbraw/zinc/81/11/99/585811199.db2.gz ZTRSUEZZPBNTFR-WCQYABFASA-N 2 2 219.332 2.319 20 0 BEADLP FC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000792944973 586007331 /nfs/dbraw/zinc/00/73/31/586007331.db2.gz IAVDCMKTQQRSFM-UHFFFAOYSA-N 2 2 245.301 2.464 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000809752221 586517936 /nfs/dbraw/zinc/51/79/36/586517936.db2.gz POLWQEXXPMOGFH-OAHLLOKOSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H](O)C1CC1 ZINC000809752221 586517937 /nfs/dbraw/zinc/51/79/37/586517937.db2.gz POLWQEXXPMOGFH-OAHLLOKOSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(C)o1 ZINC000810171102 586535929 /nfs/dbraw/zinc/53/59/29/586535929.db2.gz FJSZTXCLLBKRRC-GFCCVEGCSA-N 2 2 245.326 2.267 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(C)o1 ZINC000810171102 586535930 /nfs/dbraw/zinc/53/59/30/586535930.db2.gz FJSZTXCLLBKRRC-GFCCVEGCSA-N 2 2 245.326 2.267 20 0 BEADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000816642861 586748123 /nfs/dbraw/zinc/74/81/23/586748123.db2.gz NPQLGSVSSWQEFE-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccoc3)C2)C1 ZINC000816642861 586748124 /nfs/dbraw/zinc/74/81/24/586748124.db2.gz NPQLGSVSSWQEFE-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1 ZINC000816642861 586748126 /nfs/dbraw/zinc/74/81/26/586748126.db2.gz NPQLGSVSSWQEFE-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000816642861 586748127 /nfs/dbraw/zinc/74/81/27/586748127.db2.gz NPQLGSVSSWQEFE-CQSZACIVSA-N 2 2 234.343 2.197 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000817897327 586835306 /nfs/dbraw/zinc/83/53/06/586835306.db2.gz KRMSWOMNRNNRJI-QWHCGFSZSA-N 2 2 222.307 2.104 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000817941254 586845226 /nfs/dbraw/zinc/84/52/26/586845226.db2.gz OUKSNFDNAAIFLT-GXSJLCMTSA-N 2 2 239.750 2.138 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000817940536 586845260 /nfs/dbraw/zinc/84/52/60/586845260.db2.gz IQBNKIOUBUEHFQ-ZFWWWQNUSA-N 2 2 230.355 2.324 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817945104 586845892 /nfs/dbraw/zinc/84/58/92/586845892.db2.gz UKMPERXWKPWBNK-KGLIPLIRSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000817944614 586845902 /nfs/dbraw/zinc/84/59/02/586845902.db2.gz IBRCYZCCRLRMQJ-PWSUYJOCSA-N 2 2 222.307 2.147 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817945103 586846185 /nfs/dbraw/zinc/84/61/85/586846185.db2.gz UKMPERXWKPWBNK-KBPBESRZSA-N 2 2 246.354 2.024 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000817952574 586847990 /nfs/dbraw/zinc/84/79/90/586847990.db2.gz FWLWWOGGRIQXNM-LBPRGKRZSA-N 2 2 248.370 2.488 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000817951331 586848170 /nfs/dbraw/zinc/84/81/70/586848170.db2.gz DXFVVLDCEUZVPO-CQSZACIVSA-N 2 2 248.370 2.272 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817952100 586848174 /nfs/dbraw/zinc/84/81/74/586848174.db2.gz NHJOSBKZWHOFNI-KOLCDFICSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccnc(Cl)c1 ZINC000817952102 586848312 /nfs/dbraw/zinc/84/83/12/586848312.db2.gz NHJOSBKZWHOFNI-ONGXEEELSA-N 2 2 239.750 2.138 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000817952879 586849261 /nfs/dbraw/zinc/84/92/61/586849261.db2.gz WEKSWVLGJLOTSY-SNVBAGLBSA-N 2 2 210.296 2.004 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+]CC[NH2+]C1CC1 ZINC000817954194 586849274 /nfs/dbraw/zinc/84/92/74/586849274.db2.gz VURWMPRDUCHPIC-SNVBAGLBSA-N 2 2 230.421 2.248 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000817958196 586850312 /nfs/dbraw/zinc/85/03/12/586850312.db2.gz INVXKXXBGVMOAV-GXSJLCMTSA-N 2 2 241.766 2.369 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817958197 586850377 /nfs/dbraw/zinc/85/03/77/586850377.db2.gz INVXKXXBGVMOAV-KOLCDFICSA-N 2 2 241.766 2.369 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817965341 586854132 /nfs/dbraw/zinc/85/41/32/586854132.db2.gz PDGSXMDVVOYNET-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccnc1Cl ZINC000817979253 586861546 /nfs/dbraw/zinc/86/15/46/586861546.db2.gz IZPDYBPOTFZQIL-DTWKUNHWSA-N 2 2 227.739 2.123 20 0 BEADLP CC(C)(C)SCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000821269130 587104453 /nfs/dbraw/zinc/10/44/53/587104453.db2.gz DREKBBSVZZNEBJ-UHFFFAOYSA-N 2 2 239.388 2.300 20 0 BEADLP CC(C)(C)SCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000821269130 587104454 /nfs/dbraw/zinc/10/44/54/587104454.db2.gz DREKBBSVZZNEBJ-UHFFFAOYSA-N 2 2 239.388 2.300 20 0 BEADLP CCCCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000821269495 587104497 /nfs/dbraw/zinc/10/44/97/587104497.db2.gz FCIUWPAUPQUJBZ-UHFFFAOYSA-N 2 2 207.321 2.279 20 0 BEADLP CCCCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000821270708 587104723 /nfs/dbraw/zinc/10/47/23/587104723.db2.gz NNNANMWEINOLPU-UHFFFAOYSA-N 2 2 207.321 2.348 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000822451670 587169017 /nfs/dbraw/zinc/16/90/17/587169017.db2.gz NWPDVMSZTRRCPG-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC12CC2 ZINC000822497674 587172048 /nfs/dbraw/zinc/17/20/48/587172048.db2.gz IYRAVNKODNWEIB-CYBMUJFWSA-N 2 2 216.328 2.465 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429886 587319362 /nfs/dbraw/zinc/31/93/62/587319362.db2.gz QBZCIFLQTZUNFT-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429886 587319363 /nfs/dbraw/zinc/31/93/63/587319363.db2.gz QBZCIFLQTZUNFT-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000826795694 587362548 /nfs/dbraw/zinc/36/25/48/587362548.db2.gz CQRYHTJNEVBIKS-AWEZNQCLSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1(CO)CCC1 ZINC000827904199 587409394 /nfs/dbraw/zinc/40/93/94/587409394.db2.gz WEZBRJBASITGBS-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1(CO)CCC1 ZINC000827904199 587409396 /nfs/dbraw/zinc/40/93/96/587409396.db2.gz WEZBRJBASITGBS-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000834566690 587759587 /nfs/dbraw/zinc/75/95/87/587759587.db2.gz QHAQKAHDUCKMMJ-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000834566690 587759588 /nfs/dbraw/zinc/75/95/88/587759588.db2.gz QHAQKAHDUCKMMJ-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1cccnc1Cl ZINC000841031353 587936322 /nfs/dbraw/zinc/93/63/22/587936322.db2.gz RJUHNRDFCARCEV-UHFFFAOYSA-N 2 2 241.766 2.342 20 0 BEADLP COc1cc(N[C@H](C)C[C@@H]2CCC[NH2+]2)ccc1[NH3+] ZINC000841041478 587938312 /nfs/dbraw/zinc/93/83/12/587938312.db2.gz HPHLQDXTAZZSQV-MNOVXSKESA-N 2 2 249.358 2.220 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000841065308 587941710 /nfs/dbraw/zinc/94/17/10/587941710.db2.gz NPDHCNLWBXQJDK-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000843347953 588102410 /nfs/dbraw/zinc/10/24/10/588102410.db2.gz YXEAJFDMSLKFBW-ZIAGYGMSSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347953 588102412 /nfs/dbraw/zinc/10/24/12/588102412.db2.gz YXEAJFDMSLKFBW-ZIAGYGMSSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000844328924 588184853 /nfs/dbraw/zinc/18/48/53/588184853.db2.gz YSQQLXDQVRVWQE-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000844328924 588184854 /nfs/dbraw/zinc/18/48/54/588184854.db2.gz YSQQLXDQVRVWQE-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP FC1(F)[C@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]21 ZINC000844458899 588196593 /nfs/dbraw/zinc/19/65/93/588196593.db2.gz PSEIUVXFKATSRG-TXEJJXNPSA-N 2 2 244.329 2.059 20 0 BEADLP FC1(F)[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]21 ZINC000844458899 588196595 /nfs/dbraw/zinc/19/65/95/588196595.db2.gz PSEIUVXFKATSRG-TXEJJXNPSA-N 2 2 244.329 2.059 20 0 BEADLP CC[NH+](CC)CCC[NH+]1CCC(C(C)=O)CC1 ZINC000846945044 588298181 /nfs/dbraw/zinc/29/81/81/588298181.db2.gz VOLHEIUDXUKZSF-UHFFFAOYSA-N 2 2 240.391 2.019 20 0 BEADLP Cc1cccn2c(C[NH2+][C@@H]3C=CCC3)c[nH+]c12 ZINC000850358767 588539344 /nfs/dbraw/zinc/53/93/44/588539344.db2.gz LFWICSUJTTVTIC-GFCCVEGCSA-N 2 2 227.311 2.451 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H]1C ZINC000850544234 588559143 /nfs/dbraw/zinc/55/91/43/588559143.db2.gz UVGKAWASYYKWJB-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H]1C ZINC000850544233 588559230 /nfs/dbraw/zinc/55/92/30/588559230.db2.gz UVGKAWASYYKWJB-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000851752440 588623478 /nfs/dbraw/zinc/62/34/78/588623478.db2.gz BQBZVAMTVYHNFR-MELADBBJSA-N 2 2 249.358 2.088 20 0 BEADLP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000851752440 588623479 /nfs/dbraw/zinc/62/34/79/588623479.db2.gz BQBZVAMTVYHNFR-MELADBBJSA-N 2 2 249.358 2.088 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845814 588634749 /nfs/dbraw/zinc/63/47/49/588634749.db2.gz NSELVNPBCHTENR-YNEHKIRRSA-N 2 2 249.358 2.157 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845814 588634750 /nfs/dbraw/zinc/63/47/50/588634750.db2.gz NSELVNPBCHTENR-YNEHKIRRSA-N 2 2 249.358 2.157 20 0 BEADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC000852108322 588663946 /nfs/dbraw/zinc/66/39/46/588663946.db2.gz BMFFBPWOJCAICB-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C/Cl)C2 ZINC000852108322 588663947 /nfs/dbraw/zinc/66/39/47/588663947.db2.gz BMFFBPWOJCAICB-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC000852108322 588663948 /nfs/dbraw/zinc/66/39/48/588663948.db2.gz BMFFBPWOJCAICB-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC000852108322 588663949 /nfs/dbraw/zinc/66/39/49/588663949.db2.gz BMFFBPWOJCAICB-MJRJWQSSSA-N 2 2 228.767 2.157 20 0 BEADLP CSc1ccccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000863569606 589300873 /nfs/dbraw/zinc/30/08/73/589300873.db2.gz YQPNLMXKRUHDFR-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569606 589300875 /nfs/dbraw/zinc/30/08/75/589300875.db2.gz YQPNLMXKRUHDFR-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000863651220 589307027 /nfs/dbraw/zinc/30/70/27/589307027.db2.gz DSGLUSFOXTXKSL-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000863651220 589307028 /nfs/dbraw/zinc/30/70/28/589307028.db2.gz DSGLUSFOXTXKSL-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP COc1ccc2oc(C[N@H+](C)C[C@@H](C)[NH3+])cc2c1 ZINC000863651322 589307214 /nfs/dbraw/zinc/30/72/14/589307214.db2.gz GLPKQYLTGAXYNH-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP COc1ccc2oc(C[N@@H+](C)C[C@@H](C)[NH3+])cc2c1 ZINC000863651322 589307216 /nfs/dbraw/zinc/30/72/16/589307216.db2.gz GLPKQYLTGAXYNH-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1nccc2ccccc21 ZINC000863652090 589307408 /nfs/dbraw/zinc/30/74/08/589307408.db2.gz QFWAFYJURWTLAJ-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1nccc2ccccc21 ZINC000863652090 589307409 /nfs/dbraw/zinc/30/74/09/589307409.db2.gz QFWAFYJURWTLAJ-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP COc1cccc2cc(C[N@H+](C)C[C@H](C)[NH3+])oc21 ZINC000863652931 589307637 /nfs/dbraw/zinc/30/76/37/589307637.db2.gz ZNEYMEMFHIYCFP-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP COc1cccc2cc(C[N@@H+](C)C[C@H](C)[NH3+])oc21 ZINC000863652931 589307638 /nfs/dbraw/zinc/30/76/38/589307638.db2.gz ZNEYMEMFHIYCFP-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866586000 589501885 /nfs/dbraw/zinc/50/18/85/589501885.db2.gz ZAKKKNFTQVFPPB-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000866586000 589501886 /nfs/dbraw/zinc/50/18/86/589501886.db2.gz ZAKKKNFTQVFPPB-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866586000 589501887 /nfs/dbraw/zinc/50/18/87/589501887.db2.gz ZAKKKNFTQVFPPB-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866586000 589501888 /nfs/dbraw/zinc/50/18/88/589501888.db2.gz ZAKKKNFTQVFPPB-YUELXQCFSA-N 2 2 245.370 2.169 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866720143 589515299 /nfs/dbraw/zinc/51/52/99/589515299.db2.gz HOAOABGMQWCASD-GJZGRUSLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866720143 589515301 /nfs/dbraw/zinc/51/53/01/589515301.db2.gz HOAOABGMQWCASD-GJZGRUSLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000122058703 589551946 /nfs/dbraw/zinc/55/19/46/589551946.db2.gz BJXVITFEWPVZBI-CYBMUJFWSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000122058703 589551948 /nfs/dbraw/zinc/55/19/48/589551948.db2.gz BJXVITFEWPVZBI-CYBMUJFWSA-N 2 2 218.344 2.097 20 0 BEADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CCCOC1 ZINC000872016329 589855300 /nfs/dbraw/zinc/85/53/00/589855300.db2.gz IKAIZSXSSSGORO-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872031526 589857540 /nfs/dbraw/zinc/85/75/40/589857540.db2.gz PXMSBGKKNKLSQX-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)[C@H]1CCCOC1 ZINC000872031526 589857541 /nfs/dbraw/zinc/85/75/41/589857541.db2.gz PXMSBGKKNKLSQX-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](C)C)C(C)(C)CC ZINC000872071235 589864432 /nfs/dbraw/zinc/86/44/32/589864432.db2.gz LRSNUXDOCDBIJU-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP Fc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873229286 590001320 /nfs/dbraw/zinc/00/13/20/590001320.db2.gz RRNALBYJCSCFQO-KBPBESRZSA-N 2 2 234.318 2.200 20 0 BEADLP Cc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)s1 ZINC000873229680 590001543 /nfs/dbraw/zinc/00/15/43/590001543.db2.gz DTPXCCNYQBIOKR-CHWSQXEVSA-N 2 2 236.384 2.431 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000873238554 590005018 /nfs/dbraw/zinc/00/50/18/590005018.db2.gz BLFNDFKFAGZCCW-MROQNXINSA-N 2 2 228.355 2.387 20 0 BEADLP CCCCCC[C@@H](C)[NH2+]CC[NH+](C)C ZINC000020361359 590103918 /nfs/dbraw/zinc/10/39/18/590103918.db2.gz BSAAQNBLPJSEPF-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)c(C)[nH+]1 ZINC000876729534 590234226 /nfs/dbraw/zinc/23/42/26/590234226.db2.gz PXKONPXACPHPCV-PWSUYJOCSA-N 2 2 247.342 2.010 20 0 BEADLP CO[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)CC(C)C ZINC000877152698 590292557 /nfs/dbraw/zinc/29/25/57/590292557.db2.gz BQNPVFHNPHJSCW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)CC(C)C ZINC000877152698 590292559 /nfs/dbraw/zinc/29/25/59/590292559.db2.gz BQNPVFHNPHJSCW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877153435 590292665 /nfs/dbraw/zinc/29/26/65/590292665.db2.gz HZCGXCNMEVGRRE-TUVASFSCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000877153435 590292666 /nfs/dbraw/zinc/29/26/66/590292666.db2.gz HZCGXCNMEVGRRE-TUVASFSCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@H]1CC1(F)F ZINC000877152487 590292819 /nfs/dbraw/zinc/29/28/19/590292819.db2.gz AEPBVNFXNJQISM-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@H]1CC1(F)F ZINC000877152487 590292821 /nfs/dbraw/zinc/29/28/21/590292821.db2.gz AEPBVNFXNJQISM-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC1CCSCC1 ZINC000877153299 590292893 /nfs/dbraw/zinc/29/28/93/590292893.db2.gz HIORUVDTPPVOJY-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC1CCSCC1 ZINC000877153299 590292895 /nfs/dbraw/zinc/29/28/95/590292895.db2.gz HIORUVDTPPVOJY-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP C[NH+](C)CCC[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877521794 590345621 /nfs/dbraw/zinc/34/56/21/590345621.db2.gz DZTPNHCWAZQOEM-VIFPVBQESA-N 2 2 239.190 2.064 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000877521794 590345624 /nfs/dbraw/zinc/34/56/24/590345624.db2.gz DZTPNHCWAZQOEM-VIFPVBQESA-N 2 2 239.190 2.064 20 0 BEADLP Cc1nocc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000877563844 590360884 /nfs/dbraw/zinc/36/08/84/590360884.db2.gz SQVCQBNMVDCSCD-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1C ZINC000877718023 590399231 /nfs/dbraw/zinc/39/92/31/590399231.db2.gz BSQNREKLFMWKDE-BETUJISGSA-N 2 2 231.343 2.127 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1C ZINC000877718023 590399234 /nfs/dbraw/zinc/39/92/34/590399234.db2.gz BSQNREKLFMWKDE-BETUJISGSA-N 2 2 231.343 2.127 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741254 590408055 /nfs/dbraw/zinc/40/80/55/590408055.db2.gz AEFOKKTWPJNTQL-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741254 590408057 /nfs/dbraw/zinc/40/80/57/590408057.db2.gz AEFOKKTWPJNTQL-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741254 590408060 /nfs/dbraw/zinc/40/80/60/590408060.db2.gz AEFOKKTWPJNTQL-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000877741254 590408063 /nfs/dbraw/zinc/40/80/63/590408063.db2.gz AEFOKKTWPJNTQL-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)o1 ZINC000877743399 590410533 /nfs/dbraw/zinc/41/05/33/590410533.db2.gz KHSULAWGQFYQAU-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)o1 ZINC000877743399 590410535 /nfs/dbraw/zinc/41/05/35/590410535.db2.gz KHSULAWGQFYQAU-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877743399 590410538 /nfs/dbraw/zinc/41/05/38/590410538.db2.gz KHSULAWGQFYQAU-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877743399 590410541 /nfs/dbraw/zinc/41/05/41/590410541.db2.gz KHSULAWGQFYQAU-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877744731 590412085 /nfs/dbraw/zinc/41/20/85/590412085.db2.gz XITPFAGMFQCXJM-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877744731 590412088 /nfs/dbraw/zinc/41/20/88/590412088.db2.gz XITPFAGMFQCXJM-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)o1 ZINC000877744731 590412091 /nfs/dbraw/zinc/41/20/91/590412091.db2.gz XITPFAGMFQCXJM-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)o1 ZINC000877744731 590412093 /nfs/dbraw/zinc/41/20/93/590412093.db2.gz XITPFAGMFQCXJM-DOMZBBRYSA-N 2 2 248.370 2.368 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)CC[C@H]21 ZINC000877744853 590413151 /nfs/dbraw/zinc/41/31/51/590413151.db2.gz YKVANOLHXDDTKI-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3F)CC[C@H]21 ZINC000877744853 590413154 /nfs/dbraw/zinc/41/31/54/590413154.db2.gz YKVANOLHXDDTKI-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@H]21 ZINC000877744853 590413157 /nfs/dbraw/zinc/41/31/57/590413157.db2.gz YKVANOLHXDDTKI-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]21 ZINC000877744853 590413160 /nfs/dbraw/zinc/41/31/60/590413160.db2.gz YKVANOLHXDDTKI-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccccc1F ZINC000880133184 590933986 /nfs/dbraw/zinc/93/39/86/590933986.db2.gz ZYBQXVRTFNSDMI-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccccc1F ZINC000880133184 590933988 /nfs/dbraw/zinc/93/39/88/590933988.db2.gz ZYBQXVRTFNSDMI-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC000880133184 590933989 /nfs/dbraw/zinc/93/39/89/590933989.db2.gz ZYBQXVRTFNSDMI-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1F ZINC000880133184 590933991 /nfs/dbraw/zinc/93/39/91/590933991.db2.gz ZYBQXVRTFNSDMI-CABCVRRESA-N 2 2 248.345 2.494 20 0 BEADLP CCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133507 590934398 /nfs/dbraw/zinc/93/43/98/590934398.db2.gz PBWUYDVHIAPGBG-QWHCGFSZSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133507 590934400 /nfs/dbraw/zinc/93/44/00/590934400.db2.gz PBWUYDVHIAPGBG-QWHCGFSZSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880133507 590934403 /nfs/dbraw/zinc/93/44/03/590934403.db2.gz PBWUYDVHIAPGBG-QWHCGFSZSA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880133507 590934406 /nfs/dbraw/zinc/93/44/06/590934406.db2.gz PBWUYDVHIAPGBG-QWHCGFSZSA-N 2 2 210.365 2.345 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000880132258 590934956 /nfs/dbraw/zinc/93/49/56/590934956.db2.gz LCUIAVPQTZXOLO-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000880132258 590934958 /nfs/dbraw/zinc/93/49/58/590934958.db2.gz LCUIAVPQTZXOLO-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)n1 ZINC000880132258 590934960 /nfs/dbraw/zinc/93/49/60/590934960.db2.gz LCUIAVPQTZXOLO-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)n1 ZINC000880132258 590934961 /nfs/dbraw/zinc/93/49/61/590934961.db2.gz LCUIAVPQTZXOLO-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131696 590935853 /nfs/dbraw/zinc/93/58/53/590935853.db2.gz LOEYSOMBIXCIEV-STQMWFEESA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131696 590935856 /nfs/dbraw/zinc/93/58/56/590935856.db2.gz LOEYSOMBIXCIEV-STQMWFEESA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131696 590935858 /nfs/dbraw/zinc/93/58/58/590935858.db2.gz LOEYSOMBIXCIEV-STQMWFEESA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880131696 590935861 /nfs/dbraw/zinc/93/58/61/590935861.db2.gz LOEYSOMBIXCIEV-STQMWFEESA-N 2 2 210.365 2.201 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136698 590939455 /nfs/dbraw/zinc/93/94/55/590939455.db2.gz QOSSJSFJCILPRG-CHWSQXEVSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136698 590939458 /nfs/dbraw/zinc/93/94/58/590939458.db2.gz QOSSJSFJCILPRG-CHWSQXEVSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)CCC1 ZINC000880136698 590939460 /nfs/dbraw/zinc/93/94/60/590939460.db2.gz QOSSJSFJCILPRG-CHWSQXEVSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1(C)CCC1 ZINC000880136698 590939462 /nfs/dbraw/zinc/93/94/62/590939462.db2.gz QOSSJSFJCILPRG-CHWSQXEVSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)SCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140828 590939668 /nfs/dbraw/zinc/93/96/68/590939668.db2.gz DGDBZRCPQWJYSK-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140828 590939669 /nfs/dbraw/zinc/93/96/69/590939669.db2.gz DGDBZRCPQWJYSK-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140828 590939672 /nfs/dbraw/zinc/93/96/72/590939672.db2.gz DGDBZRCPQWJYSK-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140828 590939674 /nfs/dbraw/zinc/93/96/74/590939674.db2.gz DGDBZRCPQWJYSK-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136701 590939777 /nfs/dbraw/zinc/93/97/77/590939777.db2.gz QOSSJSFJCILPRG-STQMWFEESA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136701 590939781 /nfs/dbraw/zinc/93/97/81/590939781.db2.gz QOSSJSFJCILPRG-STQMWFEESA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1(C)CCC1 ZINC000880136701 590939783 /nfs/dbraw/zinc/93/97/83/590939783.db2.gz QOSSJSFJCILPRG-STQMWFEESA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1(C)CCC1 ZINC000880136701 590939785 /nfs/dbraw/zinc/93/97/85/590939785.db2.gz QOSSJSFJCILPRG-STQMWFEESA-N 2 2 222.376 2.345 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880136807 590939804 /nfs/dbraw/zinc/93/98/04/590939804.db2.gz SJOAMILMRFEGAL-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880136807 590939807 /nfs/dbraw/zinc/93/98/07/590939807.db2.gz SJOAMILMRFEGAL-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136807 590939808 /nfs/dbraw/zinc/93/98/08/590939808.db2.gz SJOAMILMRFEGAL-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136807 590939810 /nfs/dbraw/zinc/93/98/10/590939810.db2.gz SJOAMILMRFEGAL-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC=CC1 ZINC000880142743 590942982 /nfs/dbraw/zinc/94/29/82/590942982.db2.gz UAFKDBGJVIWKHD-ZIAGYGMSSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC=CC1 ZINC000880142743 590942985 /nfs/dbraw/zinc/94/29/85/590942985.db2.gz UAFKDBGJVIWKHD-ZIAGYGMSSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC=CC1 ZINC000880142743 590942975 /nfs/dbraw/zinc/94/29/75/590942975.db2.gz UAFKDBGJVIWKHD-ZIAGYGMSSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC=CC1 ZINC000880142743 590942979 /nfs/dbraw/zinc/94/29/79/590942979.db2.gz UAFKDBGJVIWKHD-ZIAGYGMSSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccsc1 ZINC000880142362 590943522 /nfs/dbraw/zinc/94/35/22/590943522.db2.gz NJBMCNMPKUCFKX-OLZOCXBDSA-N 2 2 236.384 2.417 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccsc1 ZINC000880142362 590943523 /nfs/dbraw/zinc/94/35/23/590943523.db2.gz NJBMCNMPKUCFKX-OLZOCXBDSA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccsc1 ZINC000880142362 590943526 /nfs/dbraw/zinc/94/35/26/590943526.db2.gz NJBMCNMPKUCFKX-OLZOCXBDSA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccsc1 ZINC000880142362 590943528 /nfs/dbraw/zinc/94/35/28/590943528.db2.gz NJBMCNMPKUCFKX-OLZOCXBDSA-N 2 2 236.384 2.417 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCC1 ZINC000880143013 590944948 /nfs/dbraw/zinc/94/49/48/590944948.db2.gz XJSSLWWMHQSEMZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCC1 ZINC000880143013 590944949 /nfs/dbraw/zinc/94/49/49/590944949.db2.gz XJSSLWWMHQSEMZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCC1 ZINC000880143013 590944951 /nfs/dbraw/zinc/94/49/51/590944951.db2.gz XJSSLWWMHQSEMZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCC1 ZINC000880143013 590944952 /nfs/dbraw/zinc/94/49/52/590944952.db2.gz XJSSLWWMHQSEMZ-KGLIPLIRSA-N 2 2 222.376 2.345 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](C/C=C\Cl)CC1 ZINC000880470505 591049128 /nfs/dbraw/zinc/04/91/28/591049128.db2.gz KRYLPUDAXDYTKF-KXFIGUGUSA-N 2 2 228.767 2.299 20 0 BEADLP CC[NH+](CC)C[C@@H](C)Nc1nc[nH+]c(C)c1C ZINC000881851764 591274719 /nfs/dbraw/zinc/27/47/19/591274719.db2.gz QDQBKFMNEDYYHF-SNVBAGLBSA-N 2 2 236.363 2.236 20 0 BEADLP CC[N@@H+]1CCC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881864326 591275054 /nfs/dbraw/zinc/27/50/54/591275054.db2.gz ONPHLRYUZNHSNW-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP CC[N@H+]1CCC[C@@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881864326 591275056 /nfs/dbraw/zinc/27/50/56/591275056.db2.gz ONPHLRYUZNHSNW-ZDUSSCGKSA-N 2 2 248.374 2.237 20 0 BEADLP Cc1[nH+]cnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000881856690 591275080 /nfs/dbraw/zinc/27/50/80/591275080.db2.gz RLFPNVMFSIZEBK-CYBMUJFWSA-N 2 2 248.374 2.236 20 0 BEADLP Cc1[nH+]cnc(NC[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000881856690 591275082 /nfs/dbraw/zinc/27/50/82/591275082.db2.gz RLFPNVMFSIZEBK-CYBMUJFWSA-N 2 2 248.374 2.236 20 0 BEADLP Cc1[nH+]cnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000881856691 591275342 /nfs/dbraw/zinc/27/53/42/591275342.db2.gz RLFPNVMFSIZEBK-ZDUSSCGKSA-N 2 2 248.374 2.236 20 0 BEADLP Cc1[nH+]cnc(NC[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000881856691 591275343 /nfs/dbraw/zinc/27/53/43/591275343.db2.gz RLFPNVMFSIZEBK-ZDUSSCGKSA-N 2 2 248.374 2.236 20 0 BEADLP C[NH2+]C1(CNc2nc[nH+]c(C)c2C)CCCCC1 ZINC000882712758 591417728 /nfs/dbraw/zinc/41/77/28/591417728.db2.gz KVVQJWQCUKEFNR-UHFFFAOYSA-N 2 2 248.374 2.428 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)C2 ZINC000883122291 591543642 /nfs/dbraw/zinc/54/36/42/591543642.db2.gz HFDVGDVLORIOAS-RNJOBUHISA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883122291 591543645 /nfs/dbraw/zinc/54/36/45/591543645.db2.gz HFDVGDVLORIOAS-RNJOBUHISA-N 2 2 245.370 2.435 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000131229948 591574508 /nfs/dbraw/zinc/57/45/08/591574508.db2.gz GNUUCOBXRFAKCU-QMMMGPOBSA-N 2 2 248.248 2.022 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000883251626 591592417 /nfs/dbraw/zinc/59/24/17/591592417.db2.gz WPIOQHBQVLDMFS-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000883251626 591592422 /nfs/dbraw/zinc/59/24/22/591592422.db2.gz WPIOQHBQVLDMFS-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@@H](C)CC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000883251627 591592564 /nfs/dbraw/zinc/59/25/64/591592564.db2.gz WPIOQHBQVLDMFS-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@@H](C)CC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000883251627 591592567 /nfs/dbraw/zinc/59/25/67/591592567.db2.gz WPIOQHBQVLDMFS-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000883251344 591592575 /nfs/dbraw/zinc/59/25/75/591592575.db2.gz LJFOIYHORBJQHM-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000883251344 591592579 /nfs/dbraw/zinc/59/25/79/591592579.db2.gz LJFOIYHORBJQHM-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@@H](C)CC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000883251625 591593093 /nfs/dbraw/zinc/59/30/93/591593093.db2.gz WPIOQHBQVLDMFS-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@@H](C)CC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000883251625 591593095 /nfs/dbraw/zinc/59/30/95/591593095.db2.gz WPIOQHBQVLDMFS-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H](C[NH2+]Cc1cccc(O)c1)Cn1cc[nH+]c1 ZINC000131440565 591609658 /nfs/dbraw/zinc/60/96/58/591609658.db2.gz DWTHDAGMPMFHTC-GFCCVEGCSA-N 2 2 245.326 2.015 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883417357 591650848 /nfs/dbraw/zinc/65/08/48/591650848.db2.gz XXKHRSPUHFSPDV-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883417357 591650851 /nfs/dbraw/zinc/65/08/51/591650851.db2.gz XXKHRSPUHFSPDV-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883417358 591651443 /nfs/dbraw/zinc/65/14/43/591651443.db2.gz XXKHRSPUHFSPDV-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883417358 591651446 /nfs/dbraw/zinc/65/14/46/591651446.db2.gz XXKHRSPUHFSPDV-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP C[N@H+](CC[NH3+])C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883432851 591662916 /nfs/dbraw/zinc/66/29/16/591662916.db2.gz BRLSVHJQLHOZCW-HUUCEWRRSA-N 2 2 248.370 2.187 20 0 BEADLP C[N@@H+](CC[NH3+])C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000883432851 591662918 /nfs/dbraw/zinc/66/29/18/591662918.db2.gz BRLSVHJQLHOZCW-HUUCEWRRSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883438716 591667388 /nfs/dbraw/zinc/66/73/88/591667388.db2.gz ZYHUSMUREUXGPC-QEJZJMRPSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883438716 591667391 /nfs/dbraw/zinc/66/73/91/591667391.db2.gz ZYHUSMUREUXGPC-QEJZJMRPSA-N 2 2 248.370 2.186 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2csc(Cl)n2)C[C@@H]1[NH3+] ZINC000883441524 591668892 /nfs/dbraw/zinc/66/88/92/591668892.db2.gz QROYAXMRLJRTHR-JGVFFNPUSA-N 2 2 245.779 2.012 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)o1 ZINC000883442298 591669744 /nfs/dbraw/zinc/66/97/44/591669744.db2.gz IMNHMCDISBQXIP-MNOVXSKESA-N 2 2 237.347 2.013 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)nc1 ZINC000883459488 591673503 /nfs/dbraw/zinc/67/35/03/591673503.db2.gz ZDVXFDHXTPYUJV-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)nc1 ZINC000883459488 591673506 /nfs/dbraw/zinc/67/35/06/591673506.db2.gz ZDVXFDHXTPYUJV-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCCCCC1 ZINC000133420499 591791390 /nfs/dbraw/zinc/79/13/90/591791390.db2.gz NYLPHDGHUJNNHU-JSGCOSHPSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccnc1Cl ZINC000133598880 591831374 /nfs/dbraw/zinc/83/13/74/591831374.db2.gz VEYWXCLSOXFNTI-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccnc1Cl ZINC000133598880 591831378 /nfs/dbraw/zinc/83/13/78/591831378.db2.gz VEYWXCLSOXFNTI-ONGXEEELSA-N 2 2 239.750 2.047 20 0 BEADLP CCc1nc(NCC[N@@H+]2CCCC2(C)C)cc[nH+]1 ZINC000884525344 591965779 /nfs/dbraw/zinc/96/57/79/591965779.db2.gz SHWNUEARVQFFAO-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1nc(NCC[N@H+]2CCCC2(C)C)cc[nH+]1 ZINC000884525344 591965781 /nfs/dbraw/zinc/96/57/81/591965781.db2.gz SHWNUEARVQFFAO-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000885953633 592113736 /nfs/dbraw/zinc/11/37/36/592113736.db2.gz BRTMDUDCPTWCIF-CYBMUJFWSA-N 2 2 236.359 2.410 20 0 BEADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000885953633 592113737 /nfs/dbraw/zinc/11/37/37/592113737.db2.gz BRTMDUDCPTWCIF-CYBMUJFWSA-N 2 2 236.359 2.410 20 0 BEADLP C(C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841243 592360626 /nfs/dbraw/zinc/36/06/26/592360626.db2.gz GBRUATQVOPNFJZ-BARDWOONSA-N 2 2 234.387 2.249 20 0 BEADLP C(C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841243 592360632 /nfs/dbraw/zinc/36/06/32/592360632.db2.gz GBRUATQVOPNFJZ-BARDWOONSA-N 2 2 234.387 2.249 20 0 BEADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000300013229 592499929 /nfs/dbraw/zinc/49/99/29/592499929.db2.gz XNZGSURQQPDAJA-YUTCNCBUSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000300013229 592499930 /nfs/dbraw/zinc/49/99/30/592499930.db2.gz XNZGSURQQPDAJA-YUTCNCBUSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000223194119 592519873 /nfs/dbraw/zinc/51/98/73/592519873.db2.gz XQMXTAOGZQLCKV-RISCZKNCSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000223194119 592519875 /nfs/dbraw/zinc/51/98/75/592519875.db2.gz XQMXTAOGZQLCKV-RISCZKNCSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000925730930 634559641 /nfs/dbraw/zinc/55/96/41/634559641.db2.gz YMWMPMGKIANQSO-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCC=CO1 ZINC000308612274 631446703 /nfs/dbraw/zinc/44/67/03/631446703.db2.gz CKKHPZAVOOOCSP-CYBMUJFWSA-N 2 2 238.375 2.143 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCCCC1 ZINC000308778719 631647170 /nfs/dbraw/zinc/64/71/70/631647170.db2.gz BQUPPEOTMRTHIS-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000309174657 631923054 /nfs/dbraw/zinc/92/30/54/631923054.db2.gz MGKXXRXMXVOYAD-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000309174657 631923057 /nfs/dbraw/zinc/92/30/57/631923057.db2.gz MGKXXRXMXVOYAD-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1Cc2ccccc2C1 ZINC000054111178 635759356 /nfs/dbraw/zinc/75/93/56/635759356.db2.gz FBRHLWXNVHAABA-UHFFFAOYSA-N 2 2 232.371 2.084 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1Cc2ccccc2C1 ZINC000054111178 635759357 /nfs/dbraw/zinc/75/93/57/635759357.db2.gz FBRHLWXNVHAABA-UHFFFAOYSA-N 2 2 232.371 2.084 20 0 BEADLP c1cc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)co1 ZINC000926699906 632836251 /nfs/dbraw/zinc/83/62/51/632836251.db2.gz BLNPLDZHFYWQFZ-GJZGRUSLSA-N 2 2 248.370 2.429 20 0 BEADLP c1cc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)co1 ZINC000926699906 632836259 /nfs/dbraw/zinc/83/62/59/632836259.db2.gz BLNPLDZHFYWQFZ-GJZGRUSLSA-N 2 2 248.370 2.429 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924558317 632842212 /nfs/dbraw/zinc/84/22/12/632842212.db2.gz AFHONUJHSWSTGP-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000924558317 632842215 /nfs/dbraw/zinc/84/22/15/632842215.db2.gz AFHONUJHSWSTGP-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@H]1CC1(C)C ZINC000309446294 633081161 /nfs/dbraw/zinc/08/11/61/633081161.db2.gz LLGARKKCWYDNEZ-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@H]1CC1(C)C ZINC000309446294 633081170 /nfs/dbraw/zinc/08/11/70/633081170.db2.gz LLGARKKCWYDNEZ-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+]C1CCSCC1 ZINC000040433297 633770910 /nfs/dbraw/zinc/77/09/10/633770910.db2.gz IPKNDOJYXLTPMM-UHFFFAOYSA-N 2 2 242.432 2.348 20 0 BEADLP CC1(C)[C@@H]([NH2+]Cc2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504398 633832135 /nfs/dbraw/zinc/83/21/35/633832135.db2.gz QPIYDPRRAXVEHE-AGIUHOORSA-N 2 2 234.343 2.146 20 0 BEADLP Cc1ccc(OCC[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000925510822 633850068 /nfs/dbraw/zinc/85/00/68/633850068.db2.gz ZTWVZRSASNLGMD-CQSZACIVSA-N 2 2 248.370 2.104 20 0 BEADLP CSC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000925516181 633866673 /nfs/dbraw/zinc/86/66/73/633866673.db2.gz VZWZYMYNKOLNNZ-IKWCTNDRSA-N 2 2 242.432 2.199 20 0 BEADLP CSC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000925516181 633866674 /nfs/dbraw/zinc/86/66/74/633866674.db2.gz VZWZYMYNKOLNNZ-IKWCTNDRSA-N 2 2 242.432 2.199 20 0 BEADLP CCCOc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000310247983 634100473 /nfs/dbraw/zinc/10/04/73/634100473.db2.gz CYJDPEHHXISPQP-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP CCCOc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000310247983 634100476 /nfs/dbraw/zinc/10/04/76/634100476.db2.gz CYJDPEHHXISPQP-GFCCVEGCSA-N 2 2 236.359 2.254 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C1CCC1)c1ccccc1 ZINC000925597961 634117563 /nfs/dbraw/zinc/11/75/63/634117563.db2.gz ZHUOJJIMWNOVHH-GXFFZTMASA-N 2 2 204.317 2.217 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053344155 634169400 /nfs/dbraw/zinc/16/94/00/634169400.db2.gz NSKYPLHMASZISY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053344155 634169404 /nfs/dbraw/zinc/16/94/04/634169404.db2.gz NSKYPLHMASZISY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000925646746 634203285 /nfs/dbraw/zinc/20/32/85/634203285.db2.gz VQQFJMGWIWSJDH-QEJZJMRPSA-N 2 2 246.354 2.357 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000925646745 634203779 /nfs/dbraw/zinc/20/37/79/634203779.db2.gz VQQFJMGWIWSJDH-NWANDNLSSA-N 2 2 246.354 2.357 20 0 BEADLP COCCCC1(C[NH2+]C[C@H](C)[NH+](C)C)CCC1 ZINC000893344957 634236108 /nfs/dbraw/zinc/23/61/08/634236108.db2.gz QROGKPOYWWUJHQ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925671893 634256105 /nfs/dbraw/zinc/25/61/05/634256105.db2.gz FHXHXDKJPKVBSI-XBFCOCLRSA-N 2 2 248.370 2.454 20 0 BEADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]c1C ZINC000925768165 635186549 /nfs/dbraw/zinc/18/65/49/635186549.db2.gz IBJVHNPLZAYMHL-FUNVUKJBSA-N 2 2 231.343 2.393 20 0 BEADLP COc1c(C)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000258810755 635205801 /nfs/dbraw/zinc/20/58/01/635205801.db2.gz DODBGQCABHMXMW-AWEZNQCLSA-N 2 2 248.370 2.154 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccsc1)Cn1cc[nH+]c1 ZINC000067500695 636270228 /nfs/dbraw/zinc/27/02/28/636270228.db2.gz MIKJBNALESIFER-NSHDSACASA-N 2 2 235.356 2.371 20 0 BEADLP Cc1ncccc1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000310941060 636706244 /nfs/dbraw/zinc/70/62/44/636706244.db2.gz LCAIQQFHZZDBLS-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1ncccc1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000310941060 636706252 /nfs/dbraw/zinc/70/62/52/636706252.db2.gz LCAIQQFHZZDBLS-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)o1 ZINC000897621738 636827822 /nfs/dbraw/zinc/82/78/22/636827822.db2.gz QFDAOZCSZNMJFB-SWLSCSKDSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)o1 ZINC000897621738 636827824 /nfs/dbraw/zinc/82/78/24/636827824.db2.gz QFDAOZCSZNMJFB-SWLSCSKDSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)o1 ZINC000897621738 636827827 /nfs/dbraw/zinc/82/78/27/636827827.db2.gz QFDAOZCSZNMJFB-SWLSCSKDSA-N 2 2 248.370 2.226 20 0 BEADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)o1 ZINC000897621738 636827828 /nfs/dbraw/zinc/82/78/28/636827828.db2.gz QFDAOZCSZNMJFB-SWLSCSKDSA-N 2 2 248.370 2.226 20 0 BEADLP CCCC[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000906537715 638203767 /nfs/dbraw/zinc/20/37/67/638203767.db2.gz JDEFMEHCIDHQRI-CQSZACIVSA-N 2 2 235.375 2.464 20 0 BEADLP C[NH2+]C1CC[NH+](CCOc2ccccc2C)CC1 ZINC000311106745 639534713 /nfs/dbraw/zinc/53/47/13/639534713.db2.gz QYXCVICTYBVOKZ-UHFFFAOYSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC000931282874 640137161 /nfs/dbraw/zinc/13/71/61/640137161.db2.gz LRNIFZFEDJEDKJ-NPSXEAPVSA-N 2 2 242.366 2.192 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]21 ZINC000931282874 640137169 /nfs/dbraw/zinc/13/71/69/640137169.db2.gz LRNIFZFEDJEDKJ-NPSXEAPVSA-N 2 2 242.366 2.192 20 0 BEADLP C[NH+](C)C1(C)CC[NH+](CCC(F)(F)F)CC1 ZINC000931351436 640168080 /nfs/dbraw/zinc/16/80/80/640168080.db2.gz NKTZUYXULWGWKM-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931623262 640293005 /nfs/dbraw/zinc/29/30/05/640293005.db2.gz YQJSRFMEDYGPOE-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931623262 640293009 /nfs/dbraw/zinc/29/30/09/640293009.db2.gz YQJSRFMEDYGPOE-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000931623262 640293014 /nfs/dbraw/zinc/29/30/14/640293014.db2.gz YQJSRFMEDYGPOE-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000931623262 640293020 /nfs/dbraw/zinc/29/30/20/640293020.db2.gz YQJSRFMEDYGPOE-RQJABVFESA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000931622835 640294945 /nfs/dbraw/zinc/29/49/45/640294945.db2.gz STMKWIKXEBTKJN-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000931622835 640294947 /nfs/dbraw/zinc/29/49/47/640294947.db2.gz STMKWIKXEBTKJN-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000931622835 640294949 /nfs/dbraw/zinc/29/49/49/640294949.db2.gz STMKWIKXEBTKJN-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000931622835 640294951 /nfs/dbraw/zinc/29/49/51/640294951.db2.gz STMKWIKXEBTKJN-PQAZSJQKSA-N 2 2 222.376 2.201 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC(F)(F)C1 ZINC000931719144 640334853 /nfs/dbraw/zinc/33/48/53/640334853.db2.gz LHCFUSXOOVWWJP-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC(F)(F)C1 ZINC000931719144 640334854 /nfs/dbraw/zinc/33/48/54/640334854.db2.gz LHCFUSXOOVWWJP-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC(F)(F)C1 ZINC000931719144 640334858 /nfs/dbraw/zinc/33/48/58/640334858.db2.gz LHCFUSXOOVWWJP-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CC(F)(F)C1 ZINC000931719144 640334861 /nfs/dbraw/zinc/33/48/61/640334861.db2.gz LHCFUSXOOVWWJP-NWDGAFQWSA-N 2 2 244.329 2.200 20 0 BEADLP CC(C)SCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719394 640335970 /nfs/dbraw/zinc/33/59/70/640335970.db2.gz QRQJNQGLQBMHCI-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719394 640335971 /nfs/dbraw/zinc/33/59/71/640335971.db2.gz QRQJNQGLQBMHCI-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719394 640335979 /nfs/dbraw/zinc/33/59/79/640335979.db2.gz QRQJNQGLQBMHCI-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719394 640335984 /nfs/dbraw/zinc/33/59/84/640335984.db2.gz QRQJNQGLQBMHCI-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167332957 640713537 /nfs/dbraw/zinc/71/35/37/640713537.db2.gz UGYIECAKBVJPKL-QWRGUYRKSA-N 2 2 232.437 2.446 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933738301 640759650 /nfs/dbraw/zinc/75/96/50/640759650.db2.gz XLAMOCPAMHWIHS-VNHYZAJKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933738301 640759651 /nfs/dbraw/zinc/75/96/51/640759651.db2.gz XLAMOCPAMHWIHS-VNHYZAJKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738301 640759652 /nfs/dbraw/zinc/75/96/52/640759652.db2.gz XLAMOCPAMHWIHS-VNHYZAJKSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933738301 640759653 /nfs/dbraw/zinc/75/96/53/640759653.db2.gz XLAMOCPAMHWIHS-VNHYZAJKSA-N 2 2 245.370 2.026 20 0 BEADLP c1ccc2c(c1)CCC[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000062944690 641111163 /nfs/dbraw/zinc/11/11/63/641111163.db2.gz QCXKXIDUTCQPJD-OAHLLOKOSA-N 2 2 230.355 2.187 20 0 BEADLP c1ccc2c(c1)CCC[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000062944690 641111167 /nfs/dbraw/zinc/11/11/67/641111167.db2.gz QCXKXIDUTCQPJD-OAHLLOKOSA-N 2 2 230.355 2.187 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771742 641536035 /nfs/dbraw/zinc/53/60/35/641536035.db2.gz QUTWVKZRJBIXHB-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP CCC(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000190252729 641854853 /nfs/dbraw/zinc/85/48/53/641854853.db2.gz IUKYDPWVMSHPTJ-CYBMUJFWSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000190252729 641854856 /nfs/dbraw/zinc/85/48/56/641854856.db2.gz IUKYDPWVMSHPTJ-CYBMUJFWSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000190252729 641854857 /nfs/dbraw/zinc/85/48/57/641854857.db2.gz IUKYDPWVMSHPTJ-CYBMUJFWSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000190252729 641854861 /nfs/dbraw/zinc/85/48/61/641854861.db2.gz IUKYDPWVMSHPTJ-CYBMUJFWSA-N 2 2 240.391 2.162 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+](C)CC[NH2+]C ZINC000069800842 642915175 /nfs/dbraw/zinc/91/51/75/642915175.db2.gz RODZVCUJQJZRFE-CYBMUJFWSA-N 2 2 206.333 2.289 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+](C)CC[NH2+]C ZINC000069800842 642915189 /nfs/dbraw/zinc/91/51/89/642915189.db2.gz RODZVCUJQJZRFE-CYBMUJFWSA-N 2 2 206.333 2.289 20 0 BEADLP Fc1ccccc1C1([NH2+]CCn2cc[nH+]c2)CC1 ZINC000271816105 642930541 /nfs/dbraw/zinc/93/05/41/642930541.db2.gz RRERVTVFQZKFCT-UHFFFAOYSA-N 2 2 245.301 2.301 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255001164 643218469 /nfs/dbraw/zinc/21/84/69/643218469.db2.gz RBEMUYUFAXJCER-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255001164 643218475 /nfs/dbraw/zinc/21/84/75/643218475.db2.gz RBEMUYUFAXJCER-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000255001164 643218480 /nfs/dbraw/zinc/21/84/80/643218480.db2.gz RBEMUYUFAXJCER-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000255001164 643218485 /nfs/dbraw/zinc/21/84/85/643218485.db2.gz RBEMUYUFAXJCER-VLWUPBBWSA-N 2 2 216.756 2.013 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255001162 643218919 /nfs/dbraw/zinc/21/89/19/643218919.db2.gz RBEMUYUFAXJCER-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255001162 643218923 /nfs/dbraw/zinc/21/89/23/643218923.db2.gz RBEMUYUFAXJCER-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000255001162 643218927 /nfs/dbraw/zinc/21/89/27/643218927.db2.gz RBEMUYUFAXJCER-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000255001162 643218931 /nfs/dbraw/zinc/21/89/31/643218931.db2.gz RBEMUYUFAXJCER-QZPNVGJNSA-N 2 2 216.756 2.013 20 0 BEADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000051573710 643638989 /nfs/dbraw/zinc/63/89/89/643638989.db2.gz JYKPVYPOYCSIJZ-GOOCMWNKSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000051573710 643638993 /nfs/dbraw/zinc/63/89/93/643638993.db2.gz JYKPVYPOYCSIJZ-GOOCMWNKSA-N 2 2 245.370 2.105 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194441919 644319659 /nfs/dbraw/zinc/31/96/59/644319659.db2.gz PVCAZOLJKKNOKQ-KBPBESRZSA-N 2 2 238.375 2.143 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194441919 644319665 /nfs/dbraw/zinc/31/96/65/644319665.db2.gz PVCAZOLJKKNOKQ-KBPBESRZSA-N 2 2 238.375 2.143 20 0 BEADLP c1ccc(C[N@@H+](CCC[NH2+]C2CC2)C2CC2)nc1 ZINC000923372581 644375090 /nfs/dbraw/zinc/37/50/90/644375090.db2.gz IMOWTEXHJUGDML-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP c1ccc(C[N@H+](CCC[NH2+]C2CC2)C2CC2)nc1 ZINC000923372581 644375093 /nfs/dbraw/zinc/37/50/93/644375093.db2.gz IMOWTEXHJUGDML-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1cccc(F)c1)C2 ZINC000923400396 644407648 /nfs/dbraw/zinc/40/76/48/644407648.db2.gz XZMWSZIEQUEHEC-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923400396 644407652 /nfs/dbraw/zinc/40/76/52/644407652.db2.gz XZMWSZIEQUEHEC-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)c(C)o1 ZINC000091671018 644634064 /nfs/dbraw/zinc/63/40/64/644634064.db2.gz CHGAOIOXRBRSNF-UHFFFAOYSA-N 2 2 236.359 2.422 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)no1 ZINC000843060099 645257028 /nfs/dbraw/zinc/25/70/28/645257028.db2.gz CMBHLDWVBROCCU-UONOGXRCSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)no1 ZINC000843060099 645257035 /nfs/dbraw/zinc/25/70/35/645257035.db2.gz CMBHLDWVBROCCU-UONOGXRCSA-N 2 2 249.358 2.120 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@H]12 ZINC000926615625 645315959 /nfs/dbraw/zinc/31/59/59/645315959.db2.gz DFNKVEXETSCZMG-AICCOOGYSA-N 2 2 234.387 2.391 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@H]12 ZINC000926615625 645315968 /nfs/dbraw/zinc/31/59/68/645315968.db2.gz DFNKVEXETSCZMG-AICCOOGYSA-N 2 2 234.387 2.391 20 0 BEADLP CCOCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925489559 645532306 /nfs/dbraw/zinc/53/23/06/645532306.db2.gz PXJREHQHFOWPQF-TZMCWYRMSA-N 2 2 236.359 2.091 20 0 BEADLP CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110996 645552094 /nfs/dbraw/zinc/55/20/94/645552094.db2.gz XVJPJICXRNQYNU-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927110996 645552099 /nfs/dbraw/zinc/55/20/99/645552099.db2.gz XVJPJICXRNQYNU-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924540667 646059845 /nfs/dbraw/zinc/05/98/45/646059845.db2.gz JJXMIVIFHAQSCZ-YNEHKIRRSA-N 2 2 222.376 2.271 20 0 BEADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC[NH+](CC)CC ZINC000924542824 646061370 /nfs/dbraw/zinc/06/13/70/646061370.db2.gz OMQUITCPAMIODS-KGLIPLIRSA-N 2 2 244.423 2.248 20 0 BEADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000924801901 646110813 /nfs/dbraw/zinc/11/08/13/646110813.db2.gz IGBXPSYARZVXDA-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000924801901 646110817 /nfs/dbraw/zinc/11/08/17/646110817.db2.gz IGBXPSYARZVXDA-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925014259 646157207 /nfs/dbraw/zinc/15/72/07/646157207.db2.gz ZRCLHRMHAYVVGL-YRGRVCCFSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925014259 646157211 /nfs/dbraw/zinc/15/72/11/646157211.db2.gz ZRCLHRMHAYVVGL-YRGRVCCFSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000925014256 646158801 /nfs/dbraw/zinc/15/88/01/646158801.db2.gz ZRCLHRMHAYVVGL-BZPMIXESSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000925014256 646158806 /nfs/dbraw/zinc/15/88/06/646158806.db2.gz ZRCLHRMHAYVVGL-BZPMIXESSA-N 2 2 236.403 2.495 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccn1 ZINC000925042087 646164717 /nfs/dbraw/zinc/16/47/17/646164717.db2.gz QFMQANNXFITOHT-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccn1 ZINC000925042087 646164721 /nfs/dbraw/zinc/16/47/21/646164721.db2.gz QFMQANNXFITOHT-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP C1=CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000925268834 646225309 /nfs/dbraw/zinc/22/53/09/646225309.db2.gz BTQVKSWQNSMBGL-UONOGXRCSA-N 2 2 220.360 2.312 20 0 BEADLP C1=CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000925268834 646225315 /nfs/dbraw/zinc/22/53/15/646225315.db2.gz BTQVKSWQNSMBGL-UONOGXRCSA-N 2 2 220.360 2.312 20 0 BEADLP CSC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925504722 646306156 /nfs/dbraw/zinc/30/61/56/646306156.db2.gz OGTAGTBDLAMROI-GMXVVIOVSA-N 2 2 238.400 2.416 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000925572971 646342383 /nfs/dbraw/zinc/34/23/83/646342383.db2.gz LEAKPENAPHEMKJ-DRZSPHRISA-N 2 2 236.384 2.170 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925620878 646367904 /nfs/dbraw/zinc/36/79/04/646367904.db2.gz CTYPCYKUFMCIRP-SWLSCSKDSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCF)c1ccccc1 ZINC000925619538 646368270 /nfs/dbraw/zinc/36/82/70/646368270.db2.gz OSBXHYBSAXXGRJ-PWSUYJOCSA-N 2 2 210.296 2.024 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925622205 646368891 /nfs/dbraw/zinc/36/88/91/646368891.db2.gz LPRYEPKXBPPRLH-CQSZACIVSA-N 2 2 248.370 2.234 20 0 BEADLP COC/C(C)=C\C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000929960905 646379279 /nfs/dbraw/zinc/37/92/79/646379279.db2.gz HLPYGKVWOQLFKP-ACAGNQJTSA-N 2 2 240.391 2.042 20 0 BEADLP CC[C@H](C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+])OC ZINC000925676529 646404817 /nfs/dbraw/zinc/40/48/17/646404817.db2.gz NLHPIABCYJYLBS-YUTCNCBUSA-N 2 2 236.359 2.090 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000925712070 646437428 /nfs/dbraw/zinc/43/74/28/646437428.db2.gz ZWTJDOGVPIHNKG-WCFLWFBJSA-N 2 2 216.328 2.217 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000925727074 646452110 /nfs/dbraw/zinc/45/21/10/646452110.db2.gz XRWVTZCLVRKOPS-MUGBGTHKSA-N 2 2 248.370 2.230 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H](C)C2 ZINC000925782058 646479621 /nfs/dbraw/zinc/47/96/21/646479621.db2.gz CNWAUANGJCTYHB-CZPYZCIJSA-N 2 2 244.382 2.426 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925784017 646480990 /nfs/dbraw/zinc/48/09/90/646480990.db2.gz FMIXYYAMIYPJGI-DDTOSNHZSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925787863 646483218 /nfs/dbraw/zinc/48/32/18/646483218.db2.gz VYSJLIGTNNMRNT-MBNYWOFBSA-N 2 2 218.344 2.254 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925787000 646483612 /nfs/dbraw/zinc/48/36/12/646483612.db2.gz RPRPEPJEAKVUHR-KCPJHIHWSA-N 2 2 230.355 2.180 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000925786222 646483745 /nfs/dbraw/zinc/48/37/45/646483745.db2.gz SHTJVWCYJMNMNI-HKCMKHECSA-N 2 2 230.355 2.432 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925788236 646485484 /nfs/dbraw/zinc/48/54/84/646485484.db2.gz ZMBPGBVDKYPEAC-BYCMXARLSA-N 2 2 230.355 2.180 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000926448771 646639346 /nfs/dbraw/zinc/63/93/46/646639346.db2.gz BIHBKJONYQCUEH-SFTQSGBHSA-N 2 2 243.354 2.211 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(Cl)CC1 ZINC000926450466 646641985 /nfs/dbraw/zinc/64/19/85/646641985.db2.gz NASSAIWJTXRFFM-IUCAKERBSA-N 2 2 239.750 2.017 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC3CCC1CC3)C2 ZINC000926451087 646642218 /nfs/dbraw/zinc/64/22/18/646642218.db2.gz VUODOMIYDIWTNI-YZVRNYIASA-N 2 2 245.370 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(Cl)CC1 ZINC000926450465 646642435 /nfs/dbraw/zinc/64/24/35/646642435.db2.gz NASSAIWJTXRFFM-DTWKUNHWSA-N 2 2 239.750 2.017 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926453753 646643703 /nfs/dbraw/zinc/64/37/03/646643703.db2.gz UYFXQPXKTFHPSG-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926453753 646643704 /nfs/dbraw/zinc/64/37/04/646643704.db2.gz UYFXQPXKTFHPSG-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)OC ZINC000926461034 646647545 /nfs/dbraw/zinc/64/75/45/646647545.db2.gz IQLAGGRXFDTHHQ-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)OC ZINC000926461034 646647548 /nfs/dbraw/zinc/64/75/48/646647548.db2.gz IQLAGGRXFDTHHQ-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000926513297 646669113 /nfs/dbraw/zinc/66/91/13/646669113.db2.gz LZHZSRUAJDGQFS-BNOWGMLFSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000926513297 646669115 /nfs/dbraw/zinc/66/91/15/646669115.db2.gz LZHZSRUAJDGQFS-BNOWGMLFSA-N 2 2 222.376 2.391 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000723993344 711551424 /nfs/dbraw/zinc/55/14/24/711551424.db2.gz MBTYXEFACNDZCT-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393244552 711675550 /nfs/dbraw/zinc/67/55/50/711675550.db2.gz QBZCIFLQTZUNFT-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393244552 711675551 /nfs/dbraw/zinc/67/55/51/711675551.db2.gz QBZCIFLQTZUNFT-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148766 712286200 /nfs/dbraw/zinc/28/62/00/712286200.db2.gz XUOZZMATUHLRKL-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148766 712286202 /nfs/dbraw/zinc/28/62/02/712286202.db2.gz XUOZZMATUHLRKL-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153321 712548037 /nfs/dbraw/zinc/54/80/37/712548037.db2.gz XEWZVTQLMOIUMH-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccns1 ZINC000715989737 712551079 /nfs/dbraw/zinc/55/10/79/712551079.db2.gz HKYCQWUBYFPELU-JTQLQIEISA-N 2 2 236.344 2.081 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000380104268 712686209 /nfs/dbraw/zinc/68/62/09/712686209.db2.gz MSSUCYPEOPCIIX-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000381469152 710641362 /nfs/dbraw/zinc/64/13/62/710641362.db2.gz MAOIOLKNGIASSD-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000381581923 710658357 /nfs/dbraw/zinc/65/83/57/710658357.db2.gz AXRNHARIQGLGOA-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000381581923 710658362 /nfs/dbraw/zinc/65/83/62/710658362.db2.gz AXRNHARIQGLGOA-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)[NH+](C)C ZINC000723601192 710729123 /nfs/dbraw/zinc/72/91/23/710729123.db2.gz CBRUESMFQAEPNU-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CSC(C)(C)CC[NH2+]CCCn1cc[nH+]c1 ZINC000385320469 711011440 /nfs/dbraw/zinc/01/14/40/711011440.db2.gz QWOCTVRGQAWEJX-UHFFFAOYSA-N 2 2 241.404 2.395 20 0 BEADLP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250425 711056744 /nfs/dbraw/zinc/05/67/44/711056744.db2.gz KHXCSVBFQBDBRQ-ZIAGYGMSSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@H](C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250425 711056748 /nfs/dbraw/zinc/05/67/48/711056748.db2.gz KHXCSVBFQBDBRQ-ZIAGYGMSSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000388047271 711050650 /nfs/dbraw/zinc/05/06/50/711050650.db2.gz HHHDMUSGJLJGSB-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000388047271 711050652 /nfs/dbraw/zinc/05/06/52/711050652.db2.gz HHHDMUSGJLJGSB-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000388025981 711050802 /nfs/dbraw/zinc/05/08/02/711050802.db2.gz CFPQRXZHGXNRTG-CQSZACIVSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000388025981 711050806 /nfs/dbraw/zinc/05/08/06/711050806.db2.gz CFPQRXZHGXNRTG-CQSZACIVSA-N 2 2 232.371 2.418 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000388059688 711051618 /nfs/dbraw/zinc/05/16/18/711051618.db2.gz IWLFDQGFXVBVTR-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1C ZINC000388059688 711051621 /nfs/dbraw/zinc/05/16/21/711051621.db2.gz IWLFDQGFXVBVTR-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H]1C ZINC000389374336 711077739 /nfs/dbraw/zinc/07/77/39/711077739.db2.gz AARGANIYYQGDHI-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000390227113 711109699 /nfs/dbraw/zinc/10/96/99/711109699.db2.gz CQXYVMHICWNTKW-NSHDSACASA-N 2 2 234.334 2.337 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(CC[NH+]3CCCC3)c2C[C@H]1C ZINC000386443878 711030100 /nfs/dbraw/zinc/03/01/00/711030100.db2.gz CSWDJRXDKOUEMO-CHWSQXEVSA-N 2 2 247.386 2.350 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC2CCC1CC2 ZINC000394378482 711190232 /nfs/dbraw/zinc/19/02/32/711190232.db2.gz ODAGNEWFYYLGAY-BPCQOVAHSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2CCC1CC2 ZINC000394245643 711188770 /nfs/dbraw/zinc/18/87/70/711188770.db2.gz WFUBZHLXZLQPFR-RYSNWHEDSA-N 2 2 233.359 2.440 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000396630474 711362051 /nfs/dbraw/zinc/36/20/51/711362051.db2.gz XKVCVQHBJSXQJF-GXTWGEPZSA-N 2 2 240.391 2.066 20 0 BEADLP CO[C@@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCC2 ZINC000724790387 711615174 /nfs/dbraw/zinc/61/51/74/711615174.db2.gz RILZKSHQTKZVFA-CHWSQXEVSA-N 2 2 249.358 2.074 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000168414397 711633538 /nfs/dbraw/zinc/63/35/38/711633538.db2.gz MAPOZWYJRRKPES-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000168414397 711633540 /nfs/dbraw/zinc/63/35/40/711633540.db2.gz MAPOZWYJRRKPES-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000053158111 711793443 /nfs/dbraw/zinc/79/34/43/711793443.db2.gz GDRGBEFXKGAJLK-SNVBAGLBSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000053158111 711793445 /nfs/dbraw/zinc/79/34/45/711793445.db2.gz GDRGBEFXKGAJLK-SNVBAGLBSA-N 2 2 242.725 2.260 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257681579 711796921 /nfs/dbraw/zinc/79/69/21/711796921.db2.gz LEZPXUNNSMKIDJ-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257681579 711796923 /nfs/dbraw/zinc/79/69/23/711796923.db2.gz LEZPXUNNSMKIDJ-OAHLLOKOSA-N 2 2 230.355 2.323 20 0 BEADLP Cc1ccc(OCC[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159986873 711805037 /nfs/dbraw/zinc/80/50/37/711805037.db2.gz JWFIMIGQEZCEIM-OAHLLOKOSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccc(OCC[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159986873 711805039 /nfs/dbraw/zinc/80/50/39/711805039.db2.gz JWFIMIGQEZCEIM-OAHLLOKOSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000164897599 711825652 /nfs/dbraw/zinc/82/56/52/711825652.db2.gz IBOGDDOUDUDOPZ-WCQYABFASA-N 2 2 218.344 2.417 20 0 BEADLP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000164897599 711825653 /nfs/dbraw/zinc/82/56/53/711825653.db2.gz IBOGDDOUDUDOPZ-WCQYABFASA-N 2 2 218.344 2.417 20 0 BEADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc[nH]c1 ZINC000080773776 711896703 /nfs/dbraw/zinc/89/67/03/711896703.db2.gz GULYKISCUACAGO-CYBMUJFWSA-N 2 2 246.358 2.416 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423377657 711958094 /nfs/dbraw/zinc/95/80/94/711958094.db2.gz VYUPYNWVABUQQN-GZMMTYOYSA-N 2 2 240.347 2.299 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000701828034 712029973 /nfs/dbraw/zinc/02/99/73/712029973.db2.gz KNCJXPGXAFPIQA-ZJUUUORDSA-N 2 2 238.297 2.041 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](CCF)C1 ZINC000701828034 712029974 /nfs/dbraw/zinc/02/99/74/712029974.db2.gz KNCJXPGXAFPIQA-ZJUUUORDSA-N 2 2 238.297 2.041 20 0 BEADLP CSC1CC([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC000706744466 712153874 /nfs/dbraw/zinc/15/38/74/712153874.db2.gz PPBDKIGRKIOGNQ-CPCZMJQVSA-N 2 2 244.448 2.446 20 0 BEADLP c1cn(CC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)c[nH+]1 ZINC000711091385 712279548 /nfs/dbraw/zinc/27/95/48/712279548.db2.gz TZSTVPFVNFIWKU-CLLJXQQHSA-N 2 2 219.332 2.051 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)c[nH+]1 ZINC000711165393 712287537 /nfs/dbraw/zinc/28/75/37/712287537.db2.gz CHBCUTYSKPGNDA-BTTYYORXSA-N 2 2 233.359 2.442 20 0 BEADLP COC(C)(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000711857483 712335724 /nfs/dbraw/zinc/33/57/24/712335724.db2.gz ZDBWRZOEJKVCOB-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP COC(C)(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000711857483 712335726 /nfs/dbraw/zinc/33/57/26/712335726.db2.gz ZDBWRZOEJKVCOB-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000713956339 712475092 /nfs/dbraw/zinc/47/50/92/712475092.db2.gz AHZBFXNNJKFQRS-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCCC(C)(F)F ZINC000713966752 712475265 /nfs/dbraw/zinc/47/52/65/712475265.db2.gz DQQBGZJRPBGOQJ-UHFFFAOYSA-N 2 2 222.323 2.352 20 0 BEADLP C[N@H+](C[C@@H]1CCCC(C)(C)O1)CC(C)(C)[NH3+] ZINC000714330417 712481985 /nfs/dbraw/zinc/48/19/85/712481985.db2.gz KIMYQCFGTIYRAT-NSHDSACASA-N 2 2 228.380 2.003 20 0 BEADLP C[N@@H+](C[C@@H]1CCCC(C)(C)O1)CC(C)(C)[NH3+] ZINC000714330417 712481986 /nfs/dbraw/zinc/48/19/86/712481986.db2.gz KIMYQCFGTIYRAT-NSHDSACASA-N 2 2 228.380 2.003 20 0 BEADLP CCCC[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000037150179 712547699 /nfs/dbraw/zinc/54/76/99/712547699.db2.gz JIMCAVPHZJNDEC-UHFFFAOYSA-N 2 2 247.386 2.436 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000037154064 712549569 /nfs/dbraw/zinc/54/95/69/712549569.db2.gz VKXLRCBKSWRGTA-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CC1 ZINC000037154060 712549589 /nfs/dbraw/zinc/54/95/89/712549589.db2.gz VKXLRCBKSWRGTA-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1CC1 ZINC000037478555 712648281 /nfs/dbraw/zinc/64/82/81/712648281.db2.gz JKWSCFIQDCHIPN-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1CC1 ZINC000037478555 712648282 /nfs/dbraw/zinc/64/82/82/712648282.db2.gz JKWSCFIQDCHIPN-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1coc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000718132233 712747175 /nfs/dbraw/zinc/74/71/75/712747175.db2.gz PSLJKBNKOUIPBG-UHFFFAOYSA-N 2 2 233.315 2.355 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000718860204 712786544 /nfs/dbraw/zinc/78/65/44/712786544.db2.gz ONNDBDCSAIXWIS-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H](C[NH2+]C1CCCC1)[NH+]1CCCCC1 ZINC000038028294 712799674 /nfs/dbraw/zinc/79/96/74/712799674.db2.gz HKBDKCDBQMXSAV-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@@H]1[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000719574623 712811908 /nfs/dbraw/zinc/81/19/08/712811908.db2.gz ZCHWFOLFFINSCM-NXEZZACHSA-N 2 2 230.315 2.067 20 0 BEADLP C[C@@H]1[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000719574623 712811911 /nfs/dbraw/zinc/81/19/11/712811911.db2.gz ZCHWFOLFFINSCM-NXEZZACHSA-N 2 2 230.315 2.067 20 0 BEADLP CSC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000719642911 712819138 /nfs/dbraw/zinc/81/91/38/712819138.db2.gz QOLOOZQGVMVYLQ-QWRGUYRKSA-N 2 2 230.421 2.200 20 0 BEADLP CSC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000719642911 712819139 /nfs/dbraw/zinc/81/91/39/712819139.db2.gz QOLOOZQGVMVYLQ-QWRGUYRKSA-N 2 2 230.421 2.200 20 0 BEADLP CSC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719642753 712819478 /nfs/dbraw/zinc/81/94/78/712819478.db2.gz QOLOOZQGVMVYLQ-GHMZBOCLSA-N 2 2 230.421 2.200 20 0 BEADLP CSC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719642753 712819479 /nfs/dbraw/zinc/81/94/79/712819479.db2.gz QOLOOZQGVMVYLQ-GHMZBOCLSA-N 2 2 230.421 2.200 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ns1 ZINC001206647988 962591144 /nfs/dbraw/zinc/59/11/44/962591144.db2.gz KPSOQJNGJMPNBK-NSHDSACASA-N 2 2 239.388 2.012 20 0 BEADLP Cc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)o1 ZINC000697881802 964606766 /nfs/dbraw/zinc/60/67/66/964606766.db2.gz ZDLSMHQARROYKD-JTQLQIEISA-N 2 2 210.321 2.018 20 0 BEADLP CCSc1cc[nH+]c(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162331443 964935860 /nfs/dbraw/zinc/93/58/60/964935860.db2.gz PRVZNCRIJLKVNT-WVSHTKLVSA-N 2 2 237.372 2.485 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000069664008 1165902297 /nfs/dbraw/zinc/90/22/97/1165902297.db2.gz XLGCDFVAKQNWQS-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000069664008 1165902301 /nfs/dbraw/zinc/90/23/01/1165902301.db2.gz XLGCDFVAKQNWQS-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC000041056345 1165912241 /nfs/dbraw/zinc/91/22/41/1165912241.db2.gz JAHTUYNLOJLCPZ-UHFFFAOYSA-N 2 2 220.360 2.473 20 0 BEADLP Cc1cc(C)cc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC000041056345 1165912250 /nfs/dbraw/zinc/91/22/50/1165912250.db2.gz JAHTUYNLOJLCPZ-UHFFFAOYSA-N 2 2 220.360 2.473 20 0 BEADLP CCC(CC)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000087259243 1165984435 /nfs/dbraw/zinc/98/44/35/1165984435.db2.gz YNXMUZTZCLKKDM-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000087259243 1165984443 /nfs/dbraw/zinc/98/44/43/1165984443.db2.gz YNXMUZTZCLKKDM-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000395164018 1166090986 /nfs/dbraw/zinc/09/09/86/1166090986.db2.gz BKIMKILVXONCQI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000395164018 1166090999 /nfs/dbraw/zinc/09/09/99/1166090999.db2.gz BKIMKILVXONCQI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000403352389 1166126827 /nfs/dbraw/zinc/12/68/27/1166126827.db2.gz WNUCIOZEFNGBFB-IUCAKERBSA-N 2 2 237.174 2.365 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403352389 1166126830 /nfs/dbraw/zinc/12/68/30/1166126830.db2.gz WNUCIOZEFNGBFB-IUCAKERBSA-N 2 2 237.174 2.365 20 0 BEADLP C[NH+](C)CC1(C[NH+]2CC(C(F)F)C2)CCCC1 ZINC001208188912 969118291 /nfs/dbraw/zinc/11/82/91/969118291.db2.gz PKPNDWXDVXTHHG-UHFFFAOYSA-N 2 2 246.345 2.305 20 0 BEADLP CC(C)C[NH+](CC(C)C)C[C@@H]1CCC[NH2+]1 ZINC000042034618 1166243330 /nfs/dbraw/zinc/24/33/30/1166243330.db2.gz PHXHNEKZLWFERK-ZDUSSCGKSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000226131259 1166245058 /nfs/dbraw/zinc/24/50/58/1166245058.db2.gz AICOBJHXUDUJJH-DGCLKSJQSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000226131259 1166245061 /nfs/dbraw/zinc/24/50/61/1166245061.db2.gz AICOBJHXUDUJJH-DGCLKSJQSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1C ZINC000227675976 1166263675 /nfs/dbraw/zinc/26/36/75/1166263675.db2.gz XYPPCUNVMIQOSY-IAQYHMDHSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1C ZINC000227675976 1166263680 /nfs/dbraw/zinc/26/36/80/1166263680.db2.gz XYPPCUNVMIQOSY-IAQYHMDHSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](C[C@H](C)C(F)(F)F)C2 ZINC001208895912 969281111 /nfs/dbraw/zinc/28/11/11/969281111.db2.gz OUQOORCIQPKRLN-QMMMGPOBSA-N 2 2 247.264 2.206 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](C[C@H](C)C(F)(F)F)C2 ZINC001208895912 969281117 /nfs/dbraw/zinc/28/11/17/969281117.db2.gz OUQOORCIQPKRLN-QMMMGPOBSA-N 2 2 247.264 2.206 20 0 BEADLP CC[NH+]1CCC([N@@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001169245520 969527510 /nfs/dbraw/zinc/52/75/10/969527510.db2.gz GPGHRRONKCDIDN-AAEUAGOBSA-N 2 2 228.355 2.151 20 0 BEADLP CC[NH+]1CCC([N@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001169245520 969527517 /nfs/dbraw/zinc/52/75/17/969527517.db2.gz GPGHRRONKCDIDN-AAEUAGOBSA-N 2 2 228.355 2.151 20 0 BEADLP Cc1[nH+]ccn1CCNc1[nH+]cc(C)cc1C ZINC000394749318 1166592553 /nfs/dbraw/zinc/59/25/53/1166592553.db2.gz RNDCWXPIZVJJJQ-UHFFFAOYSA-N 2 2 230.315 2.315 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+]CCOc1cc[nH+]cc1 ZINC001255645582 970420065 /nfs/dbraw/zinc/42/00/65/970420065.db2.gz GCRDDFILNXRHFH-SECBINFHSA-N 2 2 248.248 2.391 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]CCCC(F)(F)F ZINC000226050164 1166813634 /nfs/dbraw/zinc/81/36/34/1166813634.db2.gz PDPRENCSMAJGSU-VIFPVBQESA-N 2 2 224.270 2.013 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]CCCC(F)(F)F ZINC000226050164 1166813640 /nfs/dbraw/zinc/81/36/40/1166813640.db2.gz PDPRENCSMAJGSU-VIFPVBQESA-N 2 2 224.270 2.013 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2csc(C)c2)CC1 ZINC000379960799 1166817545 /nfs/dbraw/zinc/81/75/45/1166817545.db2.gz MTCLYVAIUWFYQX-UHFFFAOYSA-N 2 2 224.373 2.240 20 0 BEADLP CCC[C@H](C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251266609 1166854456 /nfs/dbraw/zinc/85/44/56/1166854456.db2.gz DMLOIQOVZBXXQB-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCC[C@H](C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251266609 1166854460 /nfs/dbraw/zinc/85/44/60/1166854460.db2.gz DMLOIQOVZBXXQB-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCC[C@H](C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251266609 1166854465 /nfs/dbraw/zinc/85/44/65/1166854465.db2.gz DMLOIQOVZBXXQB-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCC[C@H](C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000251266609 1166854472 /nfs/dbraw/zinc/85/44/72/1166854472.db2.gz DMLOIQOVZBXXQB-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCSC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173316546 975305359 /nfs/dbraw/zinc/30/53/59/975305359.db2.gz XVHNLQQTTOJDRT-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001173316546 975305363 /nfs/dbraw/zinc/30/53/63/975305363.db2.gz XVHNLQQTTOJDRT-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001173316546 975305366 /nfs/dbraw/zinc/30/53/66/975305366.db2.gz XVHNLQQTTOJDRT-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001173316546 975305373 /nfs/dbraw/zinc/30/53/73/975305373.db2.gz XVHNLQQTTOJDRT-YNEHKIRRSA-N 2 2 242.432 2.154 20 0 BEADLP C[C@H](CC1CC1)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251455517 1167149338 /nfs/dbraw/zinc/14/93/38/1167149338.db2.gz CCYFVBBULYPYHJ-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC1CC1)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251455517 1167149341 /nfs/dbraw/zinc/14/93/41/1167149341.db2.gz CCYFVBBULYPYHJ-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC1CC1)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251455517 1167149344 /nfs/dbraw/zinc/14/93/44/1167149344.db2.gz CCYFVBBULYPYHJ-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC1CC1)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000251455517 1167149349 /nfs/dbraw/zinc/14/93/49/1167149349.db2.gz CCYFVBBULYPYHJ-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000226299394 1167349894 /nfs/dbraw/zinc/34/98/94/1167349894.db2.gz BJESTQAZOYTDKT-DOMZBBRYSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000226299394 1167349901 /nfs/dbraw/zinc/34/99/01/1167349901.db2.gz BJESTQAZOYTDKT-DOMZBBRYSA-N 2 2 232.371 2.473 20 0 BEADLP CC(C)CC[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000053343745 1167450915 /nfs/dbraw/zinc/45/09/15/1167450915.db2.gz FRNQRHKNYMBSIO-ZDUSSCGKSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)CC[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000053343745 1167450916 /nfs/dbraw/zinc/45/09/16/1167450916.db2.gz FRNQRHKNYMBSIO-ZDUSSCGKSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@@H](CC[NH2+][C@@H](C)c1ccccn1)[NH+](C)C ZINC000697886202 1167554328 /nfs/dbraw/zinc/55/43/28/1167554328.db2.gz HFIWYFNOJLTHTC-RYUDHWBXSA-N 2 2 221.348 2.072 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000698071484 1167608925 /nfs/dbraw/zinc/60/89/25/1167608925.db2.gz CGAQZJZFGRFLLH-JGPRNRPPSA-N 2 2 246.345 2.208 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235263765 1167783094 /nfs/dbraw/zinc/78/30/94/1167783094.db2.gz VDTFGLKJWJBOGA-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235263765 1167783106 /nfs/dbraw/zinc/78/31/06/1167783106.db2.gz VDTFGLKJWJBOGA-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839162 979167797 /nfs/dbraw/zinc/16/77/97/979167797.db2.gz KVMRUNIHQSGZQG-SNVBAGLBSA-N 2 2 226.751 2.162 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C)c1C ZINC001236865589 979763653 /nfs/dbraw/zinc/76/36/53/979763653.db2.gz KNEPOCCEHQGRBM-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP Cc1c(Cl)cccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236907797 979793170 /nfs/dbraw/zinc/79/31/70/979793170.db2.gz GUEINWRMPUGWJU-VIFPVBQESA-N 2 2 226.751 2.427 20 0 BEADLP Cc1c(Cl)cccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236907797 979793177 /nfs/dbraw/zinc/79/31/77/979793177.db2.gz GUEINWRMPUGWJU-VIFPVBQESA-N 2 2 226.751 2.427 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000086935192 1168408381 /nfs/dbraw/zinc/40/83/81/1168408381.db2.gz JTOHFWFQBVOXBU-FRRDWIJNSA-N 2 2 244.448 2.446 20 0 BEADLP CCCC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001344566269 980431450 /nfs/dbraw/zinc/43/14/50/980431450.db2.gz JNJOKEYSBAYRQJ-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP Cc1cn2c(cccc2Nc2[nH]cc[nH+]2)[nH+]1 ZINC001176079827 1168702267 /nfs/dbraw/zinc/70/22/67/1168702267.db2.gz NIFJLNNFVQPTKR-UHFFFAOYSA-N 2 2 213.244 2.109 20 0 BEADLP CC1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001350959454 982131700 /nfs/dbraw/zinc/13/17/00/982131700.db2.gz ZGJGMFGWUCYMHZ-NWDGAFQWSA-N 2 2 208.349 2.145 20 0 BEADLP CC1([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001350959454 982131711 /nfs/dbraw/zinc/13/17/11/982131711.db2.gz ZGJGMFGWUCYMHZ-NWDGAFQWSA-N 2 2 208.349 2.145 20 0 BEADLP c1ccc(CC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC000257715024 1168941566 /nfs/dbraw/zinc/94/15/66/1168941566.db2.gz UQTZVEFMGVQXTA-INIZCTEOSA-N 2 2 244.382 2.447 20 0 BEADLP c1ccc(CC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC000257715024 1168941575 /nfs/dbraw/zinc/94/15/75/1168941575.db2.gz UQTZVEFMGVQXTA-INIZCTEOSA-N 2 2 244.382 2.447 20 0 BEADLP CC(C)CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201626612 983382141 /nfs/dbraw/zinc/38/21/41/983382141.db2.gz LKIHJIBUOXPXGO-OLZOCXBDSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201626612 983382146 /nfs/dbraw/zinc/38/21/46/983382146.db2.gz LKIHJIBUOXPXGO-OLZOCXBDSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201626612 983382151 /nfs/dbraw/zinc/38/21/51/983382151.db2.gz LKIHJIBUOXPXGO-OLZOCXBDSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201626612 983382156 /nfs/dbraw/zinc/38/21/56/983382156.db2.gz LKIHJIBUOXPXGO-OLZOCXBDSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCOC(C)C ZINC001172431302 974713771 /nfs/dbraw/zinc/71/37/71/974713771.db2.gz NGYWCMFHCNJTOJ-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCOC(C)C ZINC001172431302 974713773 /nfs/dbraw/zinc/71/37/73/974713773.db2.gz NGYWCMFHCNJTOJ-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCOC(C)C ZINC001172431301 974714192 /nfs/dbraw/zinc/71/41/92/974714192.db2.gz NGYWCMFHCNJTOJ-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCOC(C)C ZINC001172431301 974714197 /nfs/dbraw/zinc/71/41/97/974714197.db2.gz NGYWCMFHCNJTOJ-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]CC[NH+]1CCCC1 ZINC001172383012 974724948 /nfs/dbraw/zinc/72/49/48/974724948.db2.gz JETFLTZNIUYZTP-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172435038 974754472 /nfs/dbraw/zinc/75/44/72/974754472.db2.gz XGXZZIBWOWBGDT-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172435038 974754478 /nfs/dbraw/zinc/75/44/78/974754478.db2.gz XGXZZIBWOWBGDT-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172456338 974818073 /nfs/dbraw/zinc/81/80/73/974818073.db2.gz BSTOZOMZIZDUOQ-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172456338 974818079 /nfs/dbraw/zinc/81/80/79/974818079.db2.gz BSTOZOMZIZDUOQ-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1c[nH]c(C[NH+]2CCC([NH+](C)C)CC2)c1C ZINC001140857474 1169377476 /nfs/dbraw/zinc/37/74/76/1169377476.db2.gz ZLVDUQYSXCBZIF-UHFFFAOYSA-N 2 2 235.375 2.158 20 0 BEADLP Cc1c(F)cc[nH+]c1NC1CC2(C1)CCC[NH2+]C2 ZINC001162982081 1169453499 /nfs/dbraw/zinc/45/34/99/1169453499.db2.gz MCKHDSKSNMTQPH-UHFFFAOYSA-N 2 2 249.333 2.473 20 0 BEADLP Cc1c(F)cc[nH+]c1N1C[C@H](C[NH3+])CC[C@@H]1C ZINC001164467645 1169456432 /nfs/dbraw/zinc/45/64/32/1169456432.db2.gz KTYBKNIRGSKSLQ-ONGXEEELSA-N 2 2 237.322 2.093 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1C ZINC001206053044 970805323 /nfs/dbraw/zinc/80/53/23/970805323.db2.gz GQUAIMRQZAVHMH-QMTHXVAHSA-N 2 2 248.370 2.091 20 0 BEADLP COc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)c1C ZINC001206053044 970805327 /nfs/dbraw/zinc/80/53/27/970805327.db2.gz GQUAIMRQZAVHMH-QMTHXVAHSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3ccncc32)C[C@H]1[NH3+] ZINC001206065489 971150769 /nfs/dbraw/zinc/15/07/69/971150769.db2.gz YFAVVYLEVKBGDT-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3ccncc32)C[C@H]1[NH3+] ZINC001206065489 971150788 /nfs/dbraw/zinc/15/07/88/971150788.db2.gz YFAVVYLEVKBGDT-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP CCC[C@H](C)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257321747 971224909 /nfs/dbraw/zinc/22/49/09/971224909.db2.gz VWYCIIKXVSJMKM-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP CCC[C@H](C)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257321747 971224918 /nfs/dbraw/zinc/22/49/18/971224918.db2.gz VWYCIIKXVSJMKM-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP c1cn(C2CCCC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001257355638 971271688 /nfs/dbraw/zinc/27/16/88/971271688.db2.gz CWOPUQJNBUHBDJ-NSHDSACASA-N 2 2 219.332 2.465 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000405758760 971303443 /nfs/dbraw/zinc/30/34/43/971303443.db2.gz FTODGRQQVCBXJD-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000405758760 971303448 /nfs/dbraw/zinc/30/34/48/971303448.db2.gz FTODGRQQVCBXJD-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)s1 ZINC000405828800 971311992 /nfs/dbraw/zinc/31/19/92/971311992.db2.gz DXCXZKCVVGIAOZ-GFCCVEGCSA-N 2 2 224.373 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)s1 ZINC000405828800 971311996 /nfs/dbraw/zinc/31/19/96/971311996.db2.gz DXCXZKCVVGIAOZ-GFCCVEGCSA-N 2 2 224.373 2.234 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405888749 971318398 /nfs/dbraw/zinc/31/83/98/971318398.db2.gz XDMVLPZGFHHGKN-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC000405888749 971318404 /nfs/dbraw/zinc/31/84/04/971318404.db2.gz XDMVLPZGFHHGKN-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1[nH+]cn([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)c1CC[NH3+] ZINC001170715039 971634437 /nfs/dbraw/zinc/63/44/37/971634437.db2.gz DTTRIISHQQBBLT-CNDDSTCGSA-N 2 2 233.359 2.300 20 0 BEADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C[C@@H]21 ZINC001170732298 971674243 /nfs/dbraw/zinc/67/42/43/971674243.db2.gz XXBSGBRUUZQYFU-XQLPTFJDSA-N 2 2 248.414 2.495 20 0 BEADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C[C@@H]21 ZINC001170732298 971674250 /nfs/dbraw/zinc/67/42/50/971674250.db2.gz XXBSGBRUUZQYFU-XQLPTFJDSA-N 2 2 248.414 2.495 20 0 BEADLP CC(C)c1ccc(NCC2C[NH+](C)C2)[nH+]c1 ZINC001159219881 971743870 /nfs/dbraw/zinc/74/38/70/971743870.db2.gz PMQPNFYFVNSUEO-UHFFFAOYSA-N 2 2 219.332 2.179 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001172315870 974521338 /nfs/dbraw/zinc/52/13/38/974521338.db2.gz LQDOSHUHNVIUGQ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC001172322858 974532522 /nfs/dbraw/zinc/53/25/22/974532522.db2.gz ZCQVBXCFKATITO-XQQFMLRXSA-N 2 2 230.396 2.120 20 0 BEADLP CC(C)COc1cc(NCC[C@@H](C)[NH3+])cc[nH+]1 ZINC001170895303 972048412 /nfs/dbraw/zinc/04/84/12/972048412.db2.gz RIBDYLPALXISTR-LLVKDONJSA-N 2 2 237.347 2.266 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246095193 972148843 /nfs/dbraw/zinc/14/88/43/972148843.db2.gz ZVKFYWBOBTUIHT-KGLIPLIRSA-N 2 2 242.407 2.313 20 0 BEADLP c1ccc2c(c1)NCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246226943 972236260 /nfs/dbraw/zinc/23/62/60/972236260.db2.gz DBRMYDOSGULUKX-WFASDCNBSA-N 2 2 245.370 2.275 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc(F)ccc23)C[C@H]1[NH3+] ZINC000705546802 957325072 /nfs/dbraw/zinc/32/50/72/957325072.db2.gz RAYMURHYVBFNCN-NOZJJQNGSA-N 2 2 247.317 2.086 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)C[C@H]1[NH3+] ZINC000705546802 957325074 /nfs/dbraw/zinc/32/50/74/957325074.db2.gz RAYMURHYVBFNCN-NOZJJQNGSA-N 2 2 247.317 2.086 20 0 BEADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001209730628 957527607 /nfs/dbraw/zinc/52/76/07/957527607.db2.gz HJTMDUBPYORCCT-OAHLLOKOSA-N 2 2 239.322 2.441 20 0 BEADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001209730628 957527612 /nfs/dbraw/zinc/52/76/12/957527612.db2.gz HJTMDUBPYORCCT-OAHLLOKOSA-N 2 2 239.322 2.441 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000164544892 957628075 /nfs/dbraw/zinc/62/80/75/957628075.db2.gz AYRSTJYCFTXQEU-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C)C1 ZINC000164544892 957628080 /nfs/dbraw/zinc/62/80/80/957628080.db2.gz AYRSTJYCFTXQEU-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246338040 972298183 /nfs/dbraw/zinc/29/81/83/972298183.db2.gz WHGZFSOIXOPSRM-CHWSQXEVSA-N 2 2 244.448 2.496 20 0 BEADLP CCOCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172407184 974665218 /nfs/dbraw/zinc/66/52/18/974665218.db2.gz UACVMYZJOMWTCO-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+](Cc1cccnc1C)C1CC[NH+](C)CC1 ZINC001207150563 958220993 /nfs/dbraw/zinc/22/09/93/958220993.db2.gz AAPNRBMHRJTEAQ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1cccnc1C)C1CC[NH+](C)CC1 ZINC001207150563 958221007 /nfs/dbraw/zinc/22/10/07/958221007.db2.gz AAPNRBMHRJTEAQ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399230127 958573366 /nfs/dbraw/zinc/57/33/66/958573366.db2.gz OXJOXILHQWHIMA-SCRDCRAPSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000309445432 959255319 /nfs/dbraw/zinc/25/53/19/959255319.db2.gz PKFIUKSFGFZDQL-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000309445432 959255338 /nfs/dbraw/zinc/25/53/38/959255338.db2.gz PKFIUKSFGFZDQL-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000309446293 959258993 /nfs/dbraw/zinc/25/89/93/959258993.db2.gz LLGARKKCWYDNEZ-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000309446293 959259001 /nfs/dbraw/zinc/25/90/01/959259001.db2.gz LLGARKKCWYDNEZ-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238045 972418682 /nfs/dbraw/zinc/41/86/82/972418682.db2.gz YYYGWIZMLAGQSF-HNNXBMFYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cccnc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222238045 972418688 /nfs/dbraw/zinc/41/86/88/972418688.db2.gz YYYGWIZMLAGQSF-HNNXBMFYSA-N 2 2 245.370 2.108 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246530686 972437156 /nfs/dbraw/zinc/43/71/56/972437156.db2.gz NXLXFAOVIFAQPH-IUODEOHRSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001246530686 972437159 /nfs/dbraw/zinc/43/71/59/972437159.db2.gz NXLXFAOVIFAQPH-IUODEOHRSA-N 2 2 248.345 2.106 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(F)F)s1 ZINC000693923135 959570001 /nfs/dbraw/zinc/57/00/01/959570001.db2.gz DOJOJPNCHILLNS-VIFPVBQESA-N 2 2 248.342 2.471 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(F)F)s1 ZINC000693923135 959570015 /nfs/dbraw/zinc/57/00/15/959570015.db2.gz DOJOJPNCHILLNS-VIFPVBQESA-N 2 2 248.342 2.471 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801085 959884870 /nfs/dbraw/zinc/88/48/70/959884870.db2.gz BEMWOZGBKUFXHD-MWLCHTKSSA-N 2 2 233.290 2.495 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801085 959884883 /nfs/dbraw/zinc/88/48/83/959884883.db2.gz BEMWOZGBKUFXHD-MWLCHTKSSA-N 2 2 233.290 2.495 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695737734 960409858 /nfs/dbraw/zinc/40/98/58/960409858.db2.gz KPPMZNZBYXIRIS-ZDUSSCGKSA-N 2 2 222.376 2.395 20 0 BEADLP CCC(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000190252710 960483892 /nfs/dbraw/zinc/48/38/92/960483892.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000190252710 960483904 /nfs/dbraw/zinc/48/39/04/960483904.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000190252710 960483917 /nfs/dbraw/zinc/48/39/17/960483917.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000190252710 960483926 /nfs/dbraw/zinc/48/39/26/960483926.db2.gz IUKYDPWVMSHPTJ-ZDUSSCGKSA-N 2 2 240.391 2.162 20 0 BEADLP CC(=O)[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806516 960604886 /nfs/dbraw/zinc/60/48/86/960604886.db2.gz LPFLSCZDOHBNDR-AWEZNQCLSA-N 2 2 243.310 2.116 20 0 BEADLP CC(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806516 960604908 /nfs/dbraw/zinc/60/49/08/960604908.db2.gz LPFLSCZDOHBNDR-AWEZNQCLSA-N 2 2 243.310 2.116 20 0 BEADLP F[C@@H]1C[N@H+](Cc2ccn3cc[nH+]c3c2)C[C@@H]2C[C@@H]21 ZINC001141046963 960833114 /nfs/dbraw/zinc/83/31/14/960833114.db2.gz BBJOXZXHGDVKEX-RWMBFGLXSA-N 2 2 245.301 2.124 20 0 BEADLP F[C@@H]1C[N@@H+](Cc2ccn3cc[nH+]c3c2)C[C@@H]2C[C@@H]21 ZINC001141046963 960833119 /nfs/dbraw/zinc/83/31/19/960833119.db2.gz BBJOXZXHGDVKEX-RWMBFGLXSA-N 2 2 245.301 2.124 20 0 BEADLP c1cn2ccc(C[N@@H+]3CCC[C@@H]4C[C@@H]43)cc2[nH+]1 ZINC001141049351 960838757 /nfs/dbraw/zinc/83/87/57/960838757.db2.gz DWZDQNHGNPIDMM-OLZOCXBDSA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2ccc(C[N@H+]3CCC[C@@H]4C[C@@H]43)cc2[nH+]1 ZINC001141049351 960838762 /nfs/dbraw/zinc/83/87/62/960838762.db2.gz DWZDQNHGNPIDMM-OLZOCXBDSA-N 2 2 227.311 2.319 20 0 BEADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001167826528 961163378 /nfs/dbraw/zinc/16/33/78/961163378.db2.gz PQMUUEFHRYPLMA-ZDUSSCGKSA-N 2 2 240.391 2.162 20 0 BEADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001167826528 961163389 /nfs/dbraw/zinc/16/33/89/961163389.db2.gz PQMUUEFHRYPLMA-ZDUSSCGKSA-N 2 2 240.391 2.162 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1c1ccc(NC=[NH2+])nc1 ZINC001167865869 961346555 /nfs/dbraw/zinc/34/65/55/961346555.db2.gz WEAFMUBXAKSEIY-LLVKDONJSA-N 2 2 218.304 2.257 20 0 BEADLP C[N@H+]1CCCC[C@@H]1c1ccc(NC=[NH2+])nc1 ZINC001167865869 961346560 /nfs/dbraw/zinc/34/65/60/961346560.db2.gz WEAFMUBXAKSEIY-LLVKDONJSA-N 2 2 218.304 2.257 20 0 BEADLP Cc1ccc(C)c(C[NH+]2CC3(C2)CCC[NH2+]C3)c1 ZINC000709807389 961622240 /nfs/dbraw/zinc/62/22/40/961622240.db2.gz FKVMMYYRJLQWLQ-UHFFFAOYSA-N 2 2 244.382 2.489 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ns1 ZINC001206647988 962591132 /nfs/dbraw/zinc/59/11/32/962591132.db2.gz KPSOQJNGJMPNBK-NSHDSACASA-N 2 2 239.388 2.012 20 0 BEADLP CC(C)COc1cc(NCC[NH+](C)C)cc[nH+]1 ZINC001161672844 963141004 /nfs/dbraw/zinc/14/10/04/963141004.db2.gz KKJUKNASDYXTFQ-UHFFFAOYSA-N 2 2 237.347 2.090 20 0 BEADLP Cc1c[nH+]c(N[C@H]2C[NH+]3CCC2CC3)cc1C ZINC001155668178 963152969 /nfs/dbraw/zinc/15/29/69/963152969.db2.gz RAXMZOMBBYZWCN-ZDUSSCGKSA-N 2 2 231.343 2.205 20 0 BEADLP CN(c1[nH+]ccc2ccccc21)C1CC[NH2+]CC1 ZINC001156171517 963271782 /nfs/dbraw/zinc/27/17/82/963271782.db2.gz ARJLVLWTXHWRTI-UHFFFAOYSA-N 2 2 241.338 2.423 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(C)c1 ZINC001204770287 963399367 /nfs/dbraw/zinc/39/93/67/963399367.db2.gz CGFVBRRIUFRYNA-OAHLLOKOSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(C)c1 ZINC001204770287 963399375 /nfs/dbraw/zinc/39/93/75/963399375.db2.gz CGFVBRRIUFRYNA-OAHLLOKOSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001204770332 963399459 /nfs/dbraw/zinc/39/94/59/963399459.db2.gz DJFXTRMBIKLNLG-CQSZACIVSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001204770332 963399470 /nfs/dbraw/zinc/39/94/70/963399470.db2.gz DJFXTRMBIKLNLG-CQSZACIVSA-N 2 2 229.327 2.091 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3CC[C@](C)([NH3+])C3)c2c1 ZINC001204771981 963414031 /nfs/dbraw/zinc/41/40/31/963414031.db2.gz SEAPFJKMHMPLEL-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3CC[C@](C)([NH3+])C3)c2c1 ZINC001204771981 963414040 /nfs/dbraw/zinc/41/40/40/963414040.db2.gz SEAPFJKMHMPLEL-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP Cn1ccc2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc21 ZINC001204782808 963538984 /nfs/dbraw/zinc/53/89/84/963538984.db2.gz JRUKGMUJKSIRKC-OAHLLOKOSA-N 2 2 243.354 2.101 20 0 BEADLP Cn1ccc2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc21 ZINC001204782808 963538993 /nfs/dbraw/zinc/53/89/93/963538993.db2.gz JRUKGMUJKSIRKC-OAHLLOKOSA-N 2 2 243.354 2.101 20 0 BEADLP CC[C@@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157236340 963558613 /nfs/dbraw/zinc/55/86/13/963558613.db2.gz AMJVVUITRLVZDK-GFCCVEGCSA-N 2 2 248.374 2.044 20 0 BEADLP Cc1c[nH+]c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1C ZINC001157280991 963566585 /nfs/dbraw/zinc/56/65/85/963566585.db2.gz CUMWNOFGMZMOSN-KGLIPLIRSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1c[nH+]c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1C ZINC001157280991 963566588 /nfs/dbraw/zinc/56/65/88/963566588.db2.gz CUMWNOFGMZMOSN-KGLIPLIRSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1c[nH+]c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1C ZINC001157280989 963568025 /nfs/dbraw/zinc/56/80/25/963568025.db2.gz CUMWNOFGMZMOSN-KBPBESRZSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1c[nH+]c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1C ZINC001157280989 963568036 /nfs/dbraw/zinc/56/80/36/963568036.db2.gz CUMWNOFGMZMOSN-KBPBESRZSA-N 2 2 245.370 2.229 20 0 BEADLP C(=CC1CC[NH2+]CC1)Nc1cccn2cc[nH+]c12 ZINC001159178011 964010401 /nfs/dbraw/zinc/01/04/01/964010401.db2.gz MGWXLCKAYWZURU-VMPITWQZSA-N 2 2 242.326 2.260 20 0 BEADLP COc1cc(NC2=C[NH2+]CCC2)cc(C)[nH+]1 ZINC001159287520 964050437 /nfs/dbraw/zinc/05/04/37/964050437.db2.gz DPRUFAGPCZHSQP-UHFFFAOYSA-N 2 2 219.288 2.035 20 0 BEADLP Cc1cc2cc[nH]c2c(NC2C[NH+](C(C)C)C2)[nH+]1 ZINC001168312170 964416878 /nfs/dbraw/zinc/41/68/78/964416878.db2.gz YNHIYUBLIKGVTP-UHFFFAOYSA-N 2 2 244.342 2.376 20 0 BEADLP Cc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)o1 ZINC000697881804 964607778 /nfs/dbraw/zinc/60/77/78/964607778.db2.gz ZDLSMHQARROYKD-SNVBAGLBSA-N 2 2 210.321 2.018 20 0 BEADLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2C2CC2)CC12CC2 ZINC001204904270 964618782 /nfs/dbraw/zinc/61/87/82/964618782.db2.gz MUPXETGBQMODFC-OAHLLOKOSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC12CC2 ZINC001204904270 964618788 /nfs/dbraw/zinc/61/87/88/964618788.db2.gz MUPXETGBQMODFC-OAHLLOKOSA-N 2 2 242.366 2.487 20 0 BEADLP C[C@@H]1C[NH2+]CCC[C@H]1C[NH2+]c1ccc(O)cc1 ZINC001162465502 964988247 /nfs/dbraw/zinc/98/82/47/964988247.db2.gz HTQJGONQJXFLIR-NEPJUHHUSA-N 2 2 234.343 2.440 20 0 BEADLP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)c[nH+]c1C ZINC001162556895 965047236 /nfs/dbraw/zinc/04/72/36/965047236.db2.gz ZZWIZNCKFSTPBH-ZYHUDNBSSA-N 2 2 219.332 2.108 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001162642090 965085911 /nfs/dbraw/zinc/08/59/11/965085911.db2.gz KGERSCSVTGTSHU-JQFLKGKGSA-N 2 2 217.263 2.069 20 0 BEADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250992770 965194450 /nfs/dbraw/zinc/19/44/50/965194450.db2.gz PLGSIMVYMBZANR-KBPBESRZSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250992770 965194458 /nfs/dbraw/zinc/19/44/58/965194458.db2.gz PLGSIMVYMBZANR-KBPBESRZSA-N 2 2 245.370 2.106 20 0 BEADLP CC(C)Oc1cc(N[C@H](C)C[NH+](C)C)cc[nH+]1 ZINC001163777682 965580538 /nfs/dbraw/zinc/58/05/38/965580538.db2.gz YXWVFGFFRUVUCG-LLVKDONJSA-N 2 2 237.347 2.231 20 0 BEADLP C[C@@H](C[NH+](C)C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001163776890 965581489 /nfs/dbraw/zinc/58/14/89/965581489.db2.gz NYXWMRLVWUWJQJ-LBPRGKRZSA-N 2 2 248.374 2.044 20 0 BEADLP C[C@H](C[NH+](C)C)Nc1cc(OC(F)F)cc[nH+]1 ZINC001163785859 965590667 /nfs/dbraw/zinc/59/06/67/965590667.db2.gz ILJVZCMLTYORIN-MRVPVSSYSA-N 2 2 245.273 2.045 20 0 BEADLP CC(C)N(CCC[NH3+])c1ccc2[nH+]cn(C)c2c1 ZINC001164123039 965745469 /nfs/dbraw/zinc/74/54/69/965745469.db2.gz XFMIKQYXELKEPA-UHFFFAOYSA-N 2 2 246.358 2.137 20 0 BEADLP Cc1c[nH+]c(N(C)CC[NH+]2CCCC2)cc1C ZINC001165141401 965969063 /nfs/dbraw/zinc/96/90/63/965969063.db2.gz KCSHKKDIATVWMJ-UHFFFAOYSA-N 2 2 233.359 2.230 20 0 BEADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166190 966020204 /nfs/dbraw/zinc/02/02/04/966020204.db2.gz PSGRHAGFZYZZLV-ZQDZILKHSA-N 2 2 234.387 2.402 20 0 BEADLP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166190 966020225 /nfs/dbraw/zinc/02/02/25/966020225.db2.gz PSGRHAGFZYZZLV-ZQDZILKHSA-N 2 2 234.387 2.402 20 0 BEADLP COc1ccccc1CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171312 966200079 /nfs/dbraw/zinc/20/00/79/966200079.db2.gz MSPXGTDDIBOWTP-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205171312 966200095 /nfs/dbraw/zinc/20/00/95/966200095.db2.gz MSPXGTDDIBOWTP-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)sc1C ZINC001235990128 966212262 /nfs/dbraw/zinc/21/22/62/966212262.db2.gz LJTFIOBBFVEPRE-YPMHNXCESA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)sc1C ZINC001235990128 966212273 /nfs/dbraw/zinc/21/22/73/966212273.db2.gz LJTFIOBBFVEPRE-YPMHNXCESA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@H]([NH3+])C3)c21 ZINC001236170666 966288504 /nfs/dbraw/zinc/28/85/04/966288504.db2.gz YZPFOFIERJLQAF-LBPRGKRZSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@H]([NH3+])C3)c21 ZINC001236170666 966288518 /nfs/dbraw/zinc/28/85/18/966288518.db2.gz YZPFOFIERJLQAF-LBPRGKRZSA-N 2 2 229.327 2.009 20 0 BEADLP CCCc1ccc(C[NH+]2CC(C)(C[NH3+])C2)s1 ZINC001206718146 966404078 /nfs/dbraw/zinc/40/40/78/966404078.db2.gz KJDROKWIZXTTCS-UHFFFAOYSA-N 2 2 238.400 2.481 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccc(F)cc12 ZINC001236866260 966599848 /nfs/dbraw/zinc/59/98/48/966599848.db2.gz XNBBPRWFHKGIBK-LBPRGKRZSA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccc(F)cc12 ZINC001236866260 966599853 /nfs/dbraw/zinc/59/98/53/966599853.db2.gz XNBBPRWFHKGIBK-LBPRGKRZSA-N 2 2 249.333 2.476 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1ccc(C)[nH+]c1C ZINC001203369334 966617830 /nfs/dbraw/zinc/61/78/30/966617830.db2.gz PEWDRRARUGNYFM-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1cc(C)c[nH+]c1C ZINC001203657324 966719615 /nfs/dbraw/zinc/71/96/15/966719615.db2.gz LDTWJVCLZOCRRN-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(O)c1 ZINC001203867585 966804153 /nfs/dbraw/zinc/80/41/53/966804153.db2.gz PZIHHCABYRVYJK-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(O)c1 ZINC001203867585 966804157 /nfs/dbraw/zinc/80/41/57/966804157.db2.gz PZIHHCABYRVYJK-UHFFFAOYSA-N 2 2 245.326 2.111 20 0 BEADLP CC[N@H+](Cc1cccc(C)n1)C1CC[NH+](C)CC1 ZINC001204069668 966880596 /nfs/dbraw/zinc/88/05/96/966880596.db2.gz YWBMGQCTIBELHH-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1cccc(C)n1)C1CC[NH+](C)CC1 ZINC001204069668 966880599 /nfs/dbraw/zinc/88/05/99/966880599.db2.gz YWBMGQCTIBELHH-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)o3)C[C@H]2C1 ZINC001204540813 967043661 /nfs/dbraw/zinc/04/36/61/967043661.db2.gz CGKJCXLTBHUVPP-ZIAGYGMSSA-N 2 2 248.370 2.280 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1CCC[NH2+]CC1 ZINC001204684981 967131575 /nfs/dbraw/zinc/13/15/75/967131575.db2.gz PZKFMKZGGCDSSL-UHFFFAOYSA-N 2 2 236.334 2.238 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1CCC[NH2+]CC1 ZINC001204684981 967131587 /nfs/dbraw/zinc/13/15/87/967131587.db2.gz PZKFMKZGGCDSSL-UHFFFAOYSA-N 2 2 236.334 2.238 20 0 BEADLP Cc1cccc2c(C[N@@H+]3CC[C@@](C)([NH3+])C3)c[nH]c21 ZINC001204770299 967162404 /nfs/dbraw/zinc/16/24/04/967162404.db2.gz CPNNUZIJWSQJRT-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2c(C[N@H+]3CC[C@@](C)([NH3+])C3)c[nH]c21 ZINC001204770299 967162412 /nfs/dbraw/zinc/16/24/12/967162412.db2.gz CPNNUZIJWSQJRT-OAHLLOKOSA-N 2 2 243.354 2.399 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1C ZINC001204771060 967162537 /nfs/dbraw/zinc/16/25/37/967162537.db2.gz MVFUAKIXZUNFBS-HNNXBMFYSA-N 2 2 248.370 2.235 20 0 BEADLP COc1c(C)cc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1C ZINC001204771060 967162542 /nfs/dbraw/zinc/16/25/42/967162542.db2.gz MVFUAKIXZUNFBS-HNNXBMFYSA-N 2 2 248.370 2.235 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204800533 967176660 /nfs/dbraw/zinc/17/66/60/967176660.db2.gz DPRZYSKVMLWNOE-CQSZACIVSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204800533 967176669 /nfs/dbraw/zinc/17/66/69/967176669.db2.gz DPRZYSKVMLWNOE-CQSZACIVSA-N 2 2 236.334 2.366 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3occc32)C1 ZINC001204801817 967178599 /nfs/dbraw/zinc/17/85/99/967178599.db2.gz VHDYLNHSSQNOAU-AWEZNQCLSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3occc32)C1 ZINC001204801817 967178611 /nfs/dbraw/zinc/17/86/11/967178611.db2.gz VHDYLNHSSQNOAU-AWEZNQCLSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001204937598 967238601 /nfs/dbraw/zinc/23/86/01/967238601.db2.gz FVZKKZQTIJNIJX-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001204937598 967238613 /nfs/dbraw/zinc/23/86/13/967238613.db2.gz FVZKKZQTIJNIJX-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1CCCC2 ZINC001205197168 967423881 /nfs/dbraw/zinc/42/38/81/967423881.db2.gz JDBWFCUIFYVSMC-MLGOLLRUSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1CCCC2 ZINC001205197168 967423884 /nfs/dbraw/zinc/42/38/84/967423884.db2.gz JDBWFCUIFYVSMC-MLGOLLRUSA-N 2 2 244.382 2.487 20 0 BEADLP CC[N@H+](Cc1ncccc1C)C1CC[NH+](C)CC1 ZINC001205792890 967822762 /nfs/dbraw/zinc/82/27/62/967822762.db2.gz DXLZTTQNPAVDRE-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1ncccc1C)C1CC[NH+](C)CC1 ZINC001205792890 967822766 /nfs/dbraw/zinc/82/27/66/967822766.db2.gz DXLZTTQNPAVDRE-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])[nH]1 ZINC001205819556 967835022 /nfs/dbraw/zinc/83/50/22/967835022.db2.gz YDVOLQPKFFKICU-GXFFZTMASA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])[nH]1 ZINC001205819556 967835025 /nfs/dbraw/zinc/83/50/25/967835025.db2.gz YDVOLQPKFFKICU-GXFFZTMASA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])[nH]1 ZINC001205819557 967836181 /nfs/dbraw/zinc/83/61/81/967836181.db2.gz YDVOLQPKFFKICU-MFKMUULPSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])[nH]1 ZINC001205819557 967836182 /nfs/dbraw/zinc/83/61/82/967836182.db2.gz YDVOLQPKFFKICU-MFKMUULPSA-N 2 2 235.375 2.191 20 0 BEADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc[nH+]1 ZINC001162446371 967840670 /nfs/dbraw/zinc/84/06/70/967840670.db2.gz DLIJRTNVRIEPEB-VXGBXAGGSA-N 2 2 219.332 2.129 20 0 BEADLP Cc1cc(O)cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205838131 967847779 /nfs/dbraw/zinc/84/77/79/967847779.db2.gz AYYGTSSYUOZTRY-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(O)cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205838131 967847781 /nfs/dbraw/zinc/84/77/81/967847781.db2.gz AYYGTSSYUOZTRY-BXUZGUMPSA-N 2 2 248.370 2.260 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccncc1C ZINC001205868169 967866895 /nfs/dbraw/zinc/86/68/95/967866895.db2.gz YZHKVIYRNNZEJH-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccncc1C ZINC001205868169 967866897 /nfs/dbraw/zinc/86/68/97/967866897.db2.gz YZHKVIYRNNZEJH-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)cc1O ZINC001205872939 967868145 /nfs/dbraw/zinc/86/81/45/967868145.db2.gz WAAMGQHPZNRROY-YGRLFVJLSA-N 2 2 248.370 2.178 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)cc1O ZINC001205872939 967868146 /nfs/dbraw/zinc/86/81/46/967868146.db2.gz WAAMGQHPZNRROY-YGRLFVJLSA-N 2 2 248.370 2.178 20 0 BEADLP Cc1cccc2c(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c[nH]c21 ZINC001206053446 968023284 /nfs/dbraw/zinc/02/32/84/968023284.db2.gz ZJGXTNLVMRIPMF-BXUZGUMPSA-N 2 2 243.354 2.255 20 0 BEADLP Cc1cccc2c(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c[nH]c21 ZINC001206053446 968023296 /nfs/dbraw/zinc/02/32/96/968023296.db2.gz ZJGXTNLVMRIPMF-BXUZGUMPSA-N 2 2 243.354 2.255 20 0 BEADLP CCc1ncc(C[NH2+]CC[C@H](C)[NH+](C)C)s1 ZINC000697914993 968157366 /nfs/dbraw/zinc/15/73/66/968157366.db2.gz FGCCHTQSGYELAC-JTQLQIEISA-N 2 2 241.404 2.135 20 0 BEADLP Cc1[nH+]c2ccc(NOCC[NH3+])cc2n1C(C)C ZINC001164429820 968235258 /nfs/dbraw/zinc/23/52/58/968235258.db2.gz RWFFIPLYLDZABQ-UHFFFAOYSA-N 2 2 248.330 2.228 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCC(F)F)C[N@@H+]1C1CC1 ZINC001119540982 968407749 /nfs/dbraw/zinc/40/77/49/968407749.db2.gz MTPLWZAGARGVQU-VHSXEESVSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCC(F)F)C[N@H+]1C1CC1 ZINC001119540982 968407753 /nfs/dbraw/zinc/40/77/53/968407753.db2.gz MTPLWZAGARGVQU-VHSXEESVSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@H]1[C@H]([NH2+]CCc2ccc(F)cc2)CC[N@@H+]1C ZINC001119980987 968493070 /nfs/dbraw/zinc/49/30/70/968493070.db2.gz QHQNFNFGBGFHLV-SMDDNHRTSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H]1[C@H]([NH2+]CCc2ccc(F)cc2)CC[N@H+]1C ZINC001119980987 968493077 /nfs/dbraw/zinc/49/30/77/968493077.db2.gz QHQNFNFGBGFHLV-SMDDNHRTSA-N 2 2 236.334 2.050 20 0 BEADLP CC[N@H+](Cc1cc(C)ccn1)C1CC[NH+](C)CC1 ZINC001206853857 968499527 /nfs/dbraw/zinc/49/95/27/968499527.db2.gz DSBDASGJZJYFGA-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1cc(C)ccn1)C1CC[NH+](C)CC1 ZINC001206853857 968499529 /nfs/dbraw/zinc/49/95/29/968499529.db2.gz DSBDASGJZJYFGA-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001207274558 968707766 /nfs/dbraw/zinc/70/77/66/968707766.db2.gz DPNKDLGHVMSJMH-CYBMUJFWSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@](C)(F)C1 ZINC001207274558 968707771 /nfs/dbraw/zinc/70/77/71/968707771.db2.gz DPNKDLGHVMSJMH-CYBMUJFWSA-N 2 2 230.371 2.398 20 0 BEADLP C[N@@H+]1CC=C(c2[nH+]ccc3[nH]ccc32)CC1 ZINC001241307343 968970165 /nfs/dbraw/zinc/97/01/65/968970165.db2.gz FDPXPEBVOXQHBJ-UHFFFAOYSA-N 2 2 213.284 2.282 20 0 BEADLP COCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000088569416 968975177 /nfs/dbraw/zinc/97/51/77/968975177.db2.gz RXVWIXVMJUJFES-DOMZBBRYSA-N 2 2 248.370 2.002 20 0 BEADLP COCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000088569416 968975190 /nfs/dbraw/zinc/97/51/90/968975190.db2.gz RXVWIXVMJUJFES-DOMZBBRYSA-N 2 2 248.370 2.002 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]CCCCc1ccccn1 ZINC001168791606 969213181 /nfs/dbraw/zinc/21/31/81/969213181.db2.gz DVADJJCBCSHMMG-SILLCRNTSA-N 2 2 232.331 2.052 20 0 BEADLP Cc1cc(C)c(NC2=CC[N@H+](C)CC2)c[nH+]1 ZINC001208741325 969225648 /nfs/dbraw/zinc/22/56/48/969225648.db2.gz HNZUBIPKZKRMOB-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP Cc1cc(C)c(NC2=CC[N@@H+](C)CC2)c[nH+]1 ZINC001208741325 969225653 /nfs/dbraw/zinc/22/56/53/969225653.db2.gz HNZUBIPKZKRMOB-UHFFFAOYSA-N 2 2 217.316 2.330 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]COc1ccccc1)C2 ZINC001169107448 969449931 /nfs/dbraw/zinc/44/99/31/969449931.db2.gz HCESSNSZOQZACQ-BTTYYORXSA-N 2 2 246.354 2.238 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]COc1ccccc1)C2 ZINC001169107448 969449936 /nfs/dbraw/zinc/44/99/36/969449936.db2.gz HCESSNSZOQZACQ-BTTYYORXSA-N 2 2 246.354 2.238 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)[nH]2)CC1 ZINC001209572490 969555273 /nfs/dbraw/zinc/55/52/73/969555273.db2.gz FLEWRTMXBJZXIA-UHFFFAOYSA-N 2 2 235.375 2.239 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)[nH]2)CC1 ZINC001209572490 969555277 /nfs/dbraw/zinc/55/52/77/969555277.db2.gz FLEWRTMXBJZXIA-UHFFFAOYSA-N 2 2 235.375 2.239 20 0 BEADLP Nc1cc[nH+]cc1C[N@@H+]1CCc2ccccc2C1 ZINC001209727894 969578270 /nfs/dbraw/zinc/57/82/70/969578270.db2.gz OIHWSERVTRLUBB-UHFFFAOYSA-N 2 2 239.322 2.052 20 0 BEADLP Nc1cc[nH+]cc1C[N@H+]1CCc2ccccc2C1 ZINC001209727894 969578276 /nfs/dbraw/zinc/57/82/76/969578276.db2.gz OIHWSERVTRLUBB-UHFFFAOYSA-N 2 2 239.322 2.052 20 0 BEADLP CCC[NH+](CCC)Cc1c[nH+]ccc1N ZINC001209728291 969580327 /nfs/dbraw/zinc/58/03/27/969580327.db2.gz PMFLVJRYJSAMSU-UHFFFAOYSA-N 2 2 207.321 2.116 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C[C@@H]1C ZINC001209730525 969589092 /nfs/dbraw/zinc/58/90/92/969589092.db2.gz WDLZXDLONDRFHI-NEPJUHHUSA-N 2 2 233.359 2.362 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C[C@@H]1C ZINC001209730525 969589100 /nfs/dbraw/zinc/58/91/00/969589100.db2.gz WDLZXDLONDRFHI-NEPJUHHUSA-N 2 2 233.359 2.362 20 0 BEADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209731574 969594132 /nfs/dbraw/zinc/59/41/32/969594132.db2.gz TXXHAGQTRZYAIT-WDEREUQCSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c[nH+]ccc1N ZINC001209731574 969594140 /nfs/dbraw/zinc/59/41/40/969594140.db2.gz TXXHAGQTRZYAIT-WDEREUQCSA-N 2 2 219.332 2.115 20 0 BEADLP C[N@H+](Cc1ccsc1)Cc1c[nH+]ccc1N ZINC001209732147 969596354 /nfs/dbraw/zinc/59/63/54/969596354.db2.gz XUFAGRMCXZIEIZ-UHFFFAOYSA-N 2 2 233.340 2.188 20 0 BEADLP C[N@@H+](Cc1ccsc1)Cc1c[nH+]ccc1N ZINC001209732147 969596360 /nfs/dbraw/zinc/59/63/60/969596360.db2.gz XUFAGRMCXZIEIZ-UHFFFAOYSA-N 2 2 233.340 2.188 20 0 BEADLP c1[nH+]c2c(cc1NCC[C@H]1CCC[NH2+]1)CCC2 ZINC001169564224 969760338 /nfs/dbraw/zinc/76/03/38/969760338.db2.gz LPAKUNXOOUNLDA-GFCCVEGCSA-N 2 2 231.343 2.124 20 0 BEADLP CC(C)(C)CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254829669 969792334 /nfs/dbraw/zinc/79/23/34/969792334.db2.gz DVHOBNRYNVQPDX-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254830837 969793378 /nfs/dbraw/zinc/79/33/78/969793378.db2.gz IBLRHGUOTZANJL-YPMHNXCESA-N 2 2 210.365 2.105 20 0 BEADLP C1[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C12CCCC2 ZINC001254846928 969802706 /nfs/dbraw/zinc/80/27/06/969802706.db2.gz YIFJVSQNIZTODW-KBPBESRZSA-N 2 2 234.387 2.393 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254847184 969803429 /nfs/dbraw/zinc/80/34/29/969803429.db2.gz FKSQXPUINOFMJR-GFCCVEGCSA-N 2 2 222.376 2.249 20 0 BEADLP C1[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C12CCCC2 ZINC001254846930 969804110 /nfs/dbraw/zinc/80/41/10/969804110.db2.gz YIFJVSQNIZTODW-UONOGXRCSA-N 2 2 234.387 2.393 20 0 BEADLP C1CC2(C1)CC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254861731 969810700 /nfs/dbraw/zinc/81/07/00/969810700.db2.gz WBIJQYXLNPMIQX-AWEZNQCLSA-N 2 2 234.387 2.347 20 0 BEADLP C1CC2(C1)CC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254861731 969810705 /nfs/dbraw/zinc/81/07/05/969810705.db2.gz WBIJQYXLNPMIQX-AWEZNQCLSA-N 2 2 234.387 2.347 20 0 BEADLP C1C[C@@H]2CCC[C@H]1[N@@H+]2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254863792 969813869 /nfs/dbraw/zinc/81/38/69/969813869.db2.gz KHPLHSGXCCSPKE-QLFBSQMISA-N 2 2 234.387 2.488 20 0 BEADLP C1C[C@@H]2CCC[C@H]1[N@H+]2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254863792 969813871 /nfs/dbraw/zinc/81/38/71/969813871.db2.gz KHPLHSGXCCSPKE-QLFBSQMISA-N 2 2 234.387 2.488 20 0 BEADLP Cc1[nH]c2ccc(-n3ccc(C[NH3+])c3)cc2[nH+]1 ZINC001169726066 969820603 /nfs/dbraw/zinc/82/06/03/969820603.db2.gz UDZNPJJGHJQMGQ-UHFFFAOYSA-N 2 2 226.283 2.121 20 0 BEADLP Cc1cc(N(C)C(C)(C)C[NH3+])ccc1[NH+](C)C ZINC001170059953 970117535 /nfs/dbraw/zinc/11/75/35/970117535.db2.gz ZNLQPOCAUWDSJX-UHFFFAOYSA-N 2 2 235.375 2.235 20 0 BEADLP C[NH2+]Cc1ccc(N(C)c2[nH+]cccc2N)cc1 ZINC001211127746 970151975 /nfs/dbraw/zinc/15/19/75/970151975.db2.gz WXTPBWYZPMCXBY-UHFFFAOYSA-N 2 2 242.326 2.151 20 0 BEADLP Cc1cn2c(cccc2Nc2c[nH+]cn2C)[nH+]1 ZINC001211246190 970189562 /nfs/dbraw/zinc/18/95/62/970189562.db2.gz YPNJSPOMEMSDAA-UHFFFAOYSA-N 2 2 227.271 2.120 20 0 BEADLP C[C@@H](Cc1ccccc1F)n1cc[nH+]c1CC[NH3+] ZINC001255829921 970503787 /nfs/dbraw/zinc/50/37/87/970503787.db2.gz AHKPXPFNMVCLQK-NSHDSACASA-N 2 2 247.317 2.327 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)CCF ZINC001255969249 970607330 /nfs/dbraw/zinc/60/73/30/970607330.db2.gz XHOPIWQYVAUGNZ-LLVKDONJSA-N 2 2 204.333 2.008 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)CCF ZINC001255969249 970607337 /nfs/dbraw/zinc/60/73/37/970607337.db2.gz XHOPIWQYVAUGNZ-LLVKDONJSA-N 2 2 204.333 2.008 20 0 BEADLP C[N@H+](C1CC(F)(F)C1)C1CC[NH+](C2CC2)CC1 ZINC001256073401 970640553 /nfs/dbraw/zinc/64/05/53/970640553.db2.gz UGTQOWGCERUWOB-UHFFFAOYSA-N 2 2 244.329 2.343 20 0 BEADLP C[N@@H+](C1CC(F)(F)C1)C1CC[NH+](C2CC2)CC1 ZINC001256073401 970640567 /nfs/dbraw/zinc/64/05/67/970640567.db2.gz UGTQOWGCERUWOB-UHFFFAOYSA-N 2 2 244.329 2.343 20 0 BEADLP C[C@H]1C[C@@H](CF)[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072338 970641339 /nfs/dbraw/zinc/64/13/39/970641339.db2.gz CAXITXAHRPCKTB-FZMZJTMJSA-N 2 2 240.366 2.293 20 0 BEADLP C[C@H]1C[C@@H](CF)[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256072338 970641342 /nfs/dbraw/zinc/64/13/42/970641342.db2.gz CAXITXAHRPCKTB-FZMZJTMJSA-N 2 2 240.366 2.293 20 0 BEADLP CC(C)c1cccc(NCC2C[NH+](C)C2)[nH+]1 ZINC001170255059 970668542 /nfs/dbraw/zinc/66/85/42/970668542.db2.gz XKGGVMXIXQRBOM-UHFFFAOYSA-N 2 2 219.332 2.179 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256209599 970712211 /nfs/dbraw/zinc/71/22/11/970712211.db2.gz ZPYICPZRYHPGJI-GFCCVEGCSA-N 2 2 210.365 2.345 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256209599 970712221 /nfs/dbraw/zinc/71/22/21/970712221.db2.gz ZPYICPZRYHPGJI-GFCCVEGCSA-N 2 2 210.365 2.345 20 0 BEADLP C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246551553 972731232 /nfs/dbraw/zinc/73/12/32/972731232.db2.gz ZZTAKSUSXZJTHR-JSGCOSHPSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246551553 972731236 /nfs/dbraw/zinc/73/12/36/972731236.db2.gz ZZTAKSUSXZJTHR-JSGCOSHPSA-N 2 2 230.355 2.358 20 0 BEADLP CCCCC[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652611 973068459 /nfs/dbraw/zinc/06/84/59/973068459.db2.gz GHPSDAXDPHPPGI-RWMBFGLXSA-N 2 2 210.365 2.378 20 0 BEADLP CCCCC[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652611 973068467 /nfs/dbraw/zinc/06/84/67/973068467.db2.gz GHPSDAXDPHPPGI-RWMBFGLXSA-N 2 2 210.365 2.378 20 0 BEADLP CCCCC[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652607 973069516 /nfs/dbraw/zinc/06/95/16/973069516.db2.gz GHPSDAXDPHPPGI-FRRDWIJNSA-N 2 2 210.365 2.378 20 0 BEADLP CCCCC[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652607 973069532 /nfs/dbraw/zinc/06/95/32/973069532.db2.gz GHPSDAXDPHPPGI-FRRDWIJNSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246663136 973077569 /nfs/dbraw/zinc/07/75/69/973077569.db2.gz WYYAXBZNWCPZEU-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1ccccc1F)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246663136 973077585 /nfs/dbraw/zinc/07/75/85/973077585.db2.gz WYYAXBZNWCPZEU-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ccnc(F)c1 ZINC001329125781 973503148 /nfs/dbraw/zinc/50/31/48/973503148.db2.gz WYEYTFVLOWUHIV-UHFFFAOYSA-N 2 2 239.338 2.042 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498239 1169961719 /nfs/dbraw/zinc/96/17/19/1169961719.db2.gz LOEWBDFLIACJEK-JURCDPSOSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498239 1169961726 /nfs/dbraw/zinc/96/17/26/1169961726.db2.gz LOEWBDFLIACJEK-JURCDPSOSA-N 2 2 236.403 2.495 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171401382 974005933 /nfs/dbraw/zinc/00/59/33/974005933.db2.gz LZWJDYCJZIRPEL-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171401382 974005944 /nfs/dbraw/zinc/00/59/44/974005944.db2.gz LZWJDYCJZIRPEL-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171402401 974008987 /nfs/dbraw/zinc/00/89/87/974008987.db2.gz RHZHOQJCGPHYRU-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001171402401 974009001 /nfs/dbraw/zinc/00/90/01/974009001.db2.gz RHZHOQJCGPHYRU-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171401380 974009148 /nfs/dbraw/zinc/00/91/48/974009148.db2.gz LZWJDYCJZIRPEL-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171401380 974009166 /nfs/dbraw/zinc/00/91/66/974009166.db2.gz LZWJDYCJZIRPEL-OLZOCXBDSA-N 2 2 248.345 2.106 20 0 BEADLP CC[C@H](C[NH2+]CC1(OC)CCC1)[NH+]1CCCC1 ZINC001330625813 974373107 /nfs/dbraw/zinc/37/31/07/974373107.db2.gz IVPGYOLSHIZELZ-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cs1 ZINC001331286876 974670989 /nfs/dbraw/zinc/67/09/89/974670989.db2.gz DJSDZOACLGPLPA-QWHCGFSZSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cs1 ZINC001331286876 974670994 /nfs/dbraw/zinc/67/09/94/974670994.db2.gz DJSDZOACLGPLPA-QWHCGFSZSA-N 2 2 236.384 2.370 20 0 BEADLP CCOCC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172424225 974698804 /nfs/dbraw/zinc/69/88/04/974698804.db2.gz RLNAXXFSOMEKBL-GFCCVEGCSA-N 2 2 247.342 2.239 20 0 BEADLP Cc1ccc2c(c1)C[C@H]([NH2+]CC1C[NH+](C)C1)CC2 ZINC001172840887 974956064 /nfs/dbraw/zinc/95/60/64/974956064.db2.gz FBXHCRQTQNVHAM-MRXNPFEDSA-N 2 2 244.382 2.004 20 0 BEADLP C[C@H]1C[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CCO1 ZINC001173173276 975053851 /nfs/dbraw/zinc/05/38/51/975053851.db2.gz FGAIMTMPGVTPBC-RWMBFGLXSA-N 2 2 249.358 2.090 20 0 BEADLP CC[C@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001173263265 975116032 /nfs/dbraw/zinc/11/60/32/975116032.db2.gz HKLUORIJRNDHMU-WDEREUQCSA-N 2 2 207.321 2.136 20 0 BEADLP CCSC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001173296311 975183576 /nfs/dbraw/zinc/18/35/76/975183576.db2.gz RMDGTQSJSIRBMG-OLZOCXBDSA-N 2 2 244.448 2.448 20 0 BEADLP CCSC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001173296311 975183589 /nfs/dbraw/zinc/18/35/89/975183589.db2.gz RMDGTQSJSIRBMG-OLZOCXBDSA-N 2 2 244.448 2.448 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCC)OC ZINC001333370782 975719493 /nfs/dbraw/zinc/71/94/93/975719493.db2.gz MFNGRDUKORPDQX-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCC)OC ZINC001333370782 975719499 /nfs/dbraw/zinc/71/94/99/975719499.db2.gz MFNGRDUKORPDQX-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP COc1cc[nH+]c(Nc2ccc3[nH+]ccn3c2)c1 ZINC001174276478 976504233 /nfs/dbraw/zinc/50/42/33/976504233.db2.gz YMKSXYJQYCXTDP-UHFFFAOYSA-N 2 2 240.266 2.482 20 0 BEADLP C[C@@H](C[NH+](C)C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081318 977471988 /nfs/dbraw/zinc/47/19/88/977471988.db2.gz KDQZFMYMUWCDEQ-NSHDSACASA-N 2 2 245.326 2.406 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cs1 ZINC001336093230 977495553 /nfs/dbraw/zinc/49/55/53/977495553.db2.gz FUYDWQXUWCKBCX-CHWSQXEVSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cs1 ZINC001336093230 977495575 /nfs/dbraw/zinc/49/55/75/977495575.db2.gz FUYDWQXUWCKBCX-CHWSQXEVSA-N 2 2 236.384 2.370 20 0 BEADLP Cn1c[nH+]c2cc(NC3=CCC[N@H+](C)C3)ccc21 ZINC001175578239 977595768 /nfs/dbraw/zinc/59/57/68/977595768.db2.gz BIMXXMBQPNJRFD-UHFFFAOYSA-N 2 2 242.326 2.205 20 0 BEADLP Cn1c[nH+]c2cc(NC3=CCC[N@@H+](C)C3)ccc21 ZINC001175578239 977595776 /nfs/dbraw/zinc/59/57/76/977595776.db2.gz BIMXXMBQPNJRFD-UHFFFAOYSA-N 2 2 242.326 2.205 20 0 BEADLP CN(C)c1ccc(Nc2ccc(C[NH3+])cc2)c[nH+]1 ZINC001175964795 977833376 /nfs/dbraw/zinc/83/33/76/977833376.db2.gz LITYZRDXFRSDBF-UHFFFAOYSA-N 2 2 242.326 2.350 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@H](C)CO1 ZINC001232016784 977843561 /nfs/dbraw/zinc/84/35/61/977843561.db2.gz HGBDBJKNNOHRNB-GHMZBOCLSA-N 2 2 245.326 2.172 20 0 BEADLP Cc1cc(C)[nH+]c(N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000721831135 978046292 /nfs/dbraw/zinc/04/62/92/978046292.db2.gz UFCRKBBRITYADI-NSHDSACASA-N 2 2 221.348 2.484 20 0 BEADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cnc1C ZINC001233156311 978475596 /nfs/dbraw/zinc/47/55/96/978475596.db2.gz OKJHPSOZGANNIO-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cnc1C ZINC001233156311 978475604 /nfs/dbraw/zinc/47/56/04/978475604.db2.gz OKJHPSOZGANNIO-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001337823805 978514036 /nfs/dbraw/zinc/51/40/36/978514036.db2.gz FACMEBQONVMZJI-HIFRSBDPSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001337823805 978514038 /nfs/dbraw/zinc/51/40/38/978514038.db2.gz FACMEBQONVMZJI-HIFRSBDPSA-N 2 2 245.370 2.093 20 0 BEADLP C[C@@H](C[NH+]1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000441155977 978819658 /nfs/dbraw/zinc/81/96/58/978819658.db2.gz KEHZGMMHINLOTE-VIFPVBQESA-N 2 2 238.297 2.211 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000070643542 978862104 /nfs/dbraw/zinc/86/21/04/978862104.db2.gz HYTJVFNUNBREOF-NWDGAFQWSA-N 2 2 221.348 2.131 20 0 BEADLP CCOC(=[NH2+])c1ccc(O[C@@H]2CC[N@H+](C)C2)cc1 ZINC001234586061 978865849 /nfs/dbraw/zinc/86/58/49/978865849.db2.gz SLYDRWNODFHVSE-CYBMUJFWSA-N 2 2 248.326 2.131 20 0 BEADLP CCOC(=[NH2+])c1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001234586061 978865852 /nfs/dbraw/zinc/86/58/52/978865852.db2.gz SLYDRWNODFHVSE-CYBMUJFWSA-N 2 2 248.326 2.131 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070759945 978891102 /nfs/dbraw/zinc/89/11/02/978891102.db2.gz ZBWRQBUISBNMDK-CHWSQXEVSA-N 2 2 210.365 2.251 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049501 978962865 /nfs/dbraw/zinc/96/28/65/978962865.db2.gz VHLDPXACHANZCF-JKSUJKDBSA-N 2 2 244.382 2.494 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049501 978962870 /nfs/dbraw/zinc/96/28/70/978962870.db2.gz VHLDPXACHANZCF-JKSUJKDBSA-N 2 2 244.382 2.494 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235073806 978969772 /nfs/dbraw/zinc/96/97/72/978969772.db2.gz XJVCFOKLRGDLFQ-NWANDNLSSA-N 2 2 230.355 2.226 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235073806 978969775 /nfs/dbraw/zinc/96/97/75/978969775.db2.gz XJVCFOKLRGDLFQ-NWANDNLSSA-N 2 2 230.355 2.226 20 0 BEADLP Cc1c(F)cccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241409 979001888 /nfs/dbraw/zinc/00/18/88/979001888.db2.gz UDNIVGAIRSKNSA-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1c(F)cccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235241409 979001894 /nfs/dbraw/zinc/00/18/94/979001894.db2.gz UDNIVGAIRSKNSA-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP CC[NH2+]CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001235666509 979113012 /nfs/dbraw/zinc/11/30/12/979113012.db2.gz SEHOWOMBHOSBMU-OAHLLOKOSA-N 2 2 232.371 2.476 20 0 BEADLP CC[NH2+]CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001235666509 979113020 /nfs/dbraw/zinc/11/30/20/979113020.db2.gz SEHOWOMBHOSBMU-OAHLLOKOSA-N 2 2 232.371 2.476 20 0 BEADLP Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001235689424 979118688 /nfs/dbraw/zinc/11/86/88/979118688.db2.gz ZBYUSUIRCFIJBN-UKRRQHHQSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)cc1 ZINC001235689424 979118695 /nfs/dbraw/zinc/11/86/95/979118695.db2.gz ZBYUSUIRCFIJBN-UKRRQHHQSA-N 2 2 248.370 2.185 20 0 BEADLP CC[NH2+]CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235714881 979127298 /nfs/dbraw/zinc/12/72/98/979127298.db2.gz MBFUKYZWCNMQSS-OAHLLOKOSA-N 2 2 232.371 2.161 20 0 BEADLP CC[NH2+]CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001235714881 979127305 /nfs/dbraw/zinc/12/73/05/979127305.db2.gz MBFUKYZWCNMQSS-OAHLLOKOSA-N 2 2 232.371 2.161 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839162 979167790 /nfs/dbraw/zinc/16/77/90/979167790.db2.gz KVMRUNIHQSGZQG-SNVBAGLBSA-N 2 2 226.751 2.162 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1C ZINC001235979808 979252775 /nfs/dbraw/zinc/25/27/75/979252775.db2.gz KWQPJGGQIQIYEJ-HUUCEWRRSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1C ZINC001235979808 979252783 /nfs/dbraw/zinc/25/27/83/979252783.db2.gz KWQPJGGQIQIYEJ-HUUCEWRRSA-N 2 2 230.355 2.227 20 0 BEADLP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235978111 979254730 /nfs/dbraw/zinc/25/47/30/979254730.db2.gz ISCRMKAYWMBMBD-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235978111 979254742 /nfs/dbraw/zinc/25/47/42/979254742.db2.gz ISCRMKAYWMBMBD-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235986126 979266181 /nfs/dbraw/zinc/26/61/81/979266181.db2.gz CLOSJZFZXWGCSV-GJZGRUSLSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235986126 979266193 /nfs/dbraw/zinc/26/61/93/979266193.db2.gz CLOSJZFZXWGCSV-GJZGRUSLSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235986124 979267706 /nfs/dbraw/zinc/26/77/06/979267706.db2.gz CLOSJZFZXWGCSV-CABCVRRESA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235986124 979267717 /nfs/dbraw/zinc/26/77/17/979267717.db2.gz CLOSJZFZXWGCSV-CABCVRRESA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C)c1C[N@H+](CC)CC[NH3+] ZINC001236144946 979412954 /nfs/dbraw/zinc/41/29/54/979412954.db2.gz WVWQFKHKHPGXCS-UHFFFAOYSA-N 2 2 220.360 2.338 20 0 BEADLP CCc1cccc(C)c1C[N@@H+](CC)CC[NH3+] ZINC001236144946 979412963 /nfs/dbraw/zinc/41/29/63/979412963.db2.gz WVWQFKHKHPGXCS-UHFFFAOYSA-N 2 2 220.360 2.338 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc2c1CCCC2 ZINC001236144793 979415992 /nfs/dbraw/zinc/41/59/92/979415992.db2.gz VMUKMLFJKDSNDC-UHFFFAOYSA-N 2 2 232.371 2.346 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc2c1CCCC2 ZINC001236144793 979416005 /nfs/dbraw/zinc/41/60/05/979416005.db2.gz VMUKMLFJKDSNDC-UHFFFAOYSA-N 2 2 232.371 2.346 20 0 BEADLP CCn1ccc2c1cccc2C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236168160 979422522 /nfs/dbraw/zinc/42/25/22/979422522.db2.gz FTTYMIHNRBXVMW-CYBMUJFWSA-N 2 2 243.354 2.194 20 0 BEADLP CCn1ccc2c1cccc2C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236168160 979422532 /nfs/dbraw/zinc/42/25/32/979422532.db2.gz FTTYMIHNRBXVMW-CYBMUJFWSA-N 2 2 243.354 2.194 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC001236245632 979468785 /nfs/dbraw/zinc/46/87/85/979468785.db2.gz PULUDTHSZPTIIX-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC001236245632 979468792 /nfs/dbraw/zinc/46/87/92/979468792.db2.gz PULUDTHSZPTIIX-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2occc21 ZINC001236251566 979470539 /nfs/dbraw/zinc/47/05/39/979470539.db2.gz VVDRVQNEBLVTMO-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2occc21 ZINC001236251566 979470547 /nfs/dbraw/zinc/47/05/47/979470547.db2.gz VVDRVQNEBLVTMO-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@@H]([NH3+])c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236317477 979534108 /nfs/dbraw/zinc/53/41/08/979534108.db2.gz RHLAKWZHXVJAEN-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP COCC[N@H+](CCCC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236325914 979537782 /nfs/dbraw/zinc/53/77/82/979537782.db2.gz FGGFMEKYCWCHEI-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](CCCC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236325914 979537789 /nfs/dbraw/zinc/53/77/89/979537789.db2.gz FGGFMEKYCWCHEI-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1cccc(C)c1 ZINC001236418723 979591282 /nfs/dbraw/zinc/59/12/82/979591282.db2.gz IRBXRDIAADPXTD-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1cccc(C)c1 ZINC001236418723 979591290 /nfs/dbraw/zinc/59/12/90/979591290.db2.gz IRBXRDIAADPXTD-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CCN(C)c1ccc(Nc2cc[nH+]c(N)c2)c[nH+]1 ZINC001206543381 979670182 /nfs/dbraw/zinc/67/01/82/979670182.db2.gz YKCUFCLCEZKKCK-UHFFFAOYSA-N 2 2 243.314 2.259 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(C)c1C ZINC001236865589 979763644 /nfs/dbraw/zinc/76/36/44/979763644.db2.gz KNEPOCCEHQGRBM-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)CCc1cccc(F)c1 ZINC001236858553 979767339 /nfs/dbraw/zinc/76/73/39/979767339.db2.gz CWYZCGYYGQPJBF-ZDUSSCGKSA-N 2 2 224.323 2.037 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1cccc(F)c1 ZINC001236858553 979767342 /nfs/dbraw/zinc/76/73/42/979767342.db2.gz CWYZCGYYGQPJBF-ZDUSSCGKSA-N 2 2 224.323 2.037 20 0 BEADLP CCn1ccc2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc21 ZINC001236895846 979785886 /nfs/dbraw/zinc/78/58/86/979785886.db2.gz ZVZIFDJDTDGWBB-LBPRGKRZSA-N 2 2 245.370 2.440 20 0 BEADLP CCn1ccc2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc21 ZINC001236895846 979785890 /nfs/dbraw/zinc/78/58/90/979785890.db2.gz ZVZIFDJDTDGWBB-LBPRGKRZSA-N 2 2 245.370 2.440 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cs1 ZINC001205264733 979811754 /nfs/dbraw/zinc/81/17/54/979811754.db2.gz LDHSKHGBIRVXGE-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cs1 ZINC001205264733 979811758 /nfs/dbraw/zinc/81/17/58/979811758.db2.gz LDHSKHGBIRVXGE-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP CO[C@@H]1C[N@H+](CCCC2CCCCC2)C[C@@H]1[NH3+] ZINC001237102027 979819429 /nfs/dbraw/zinc/81/94/29/979819429.db2.gz REYQRWHVSZBPJU-UONOGXRCSA-N 2 2 240.391 2.005 20 0 BEADLP CO[C@@H]1C[N@@H+](CCCC2CCCCC2)C[C@@H]1[NH3+] ZINC001237102027 979819431 /nfs/dbraw/zinc/81/94/31/979819431.db2.gz REYQRWHVSZBPJU-UONOGXRCSA-N 2 2 240.391 2.005 20 0 BEADLP C[N@H+](CC1OC=CC1=S)C1CC[NH+](C)CC1 ZINC001237184627 979837190 /nfs/dbraw/zinc/83/71/90/979837190.db2.gz ZUINRKMNISVPFE-UHFFFAOYSA-N 2 2 240.372 2.094 20 0 BEADLP C[N@@H+](CC1OC=CC1=S)C1CC[NH+](C)CC1 ZINC001237184627 979837195 /nfs/dbraw/zinc/83/71/95/979837195.db2.gz ZUINRKMNISVPFE-UHFFFAOYSA-N 2 2 240.372 2.094 20 0 BEADLP CC1(C)CC([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001184265923 979994486 /nfs/dbraw/zinc/99/44/86/979994486.db2.gz WWWIDJKXNPNUDY-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C)CC([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001184265923 979994500 /nfs/dbraw/zinc/99/45/00/979994500.db2.gz WWWIDJKXNPNUDY-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ns1 ZINC001205296287 980066482 /nfs/dbraw/zinc/06/64/82/980066482.db2.gz KRSZDUYZMKGPLJ-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ns1 ZINC001205296287 980066492 /nfs/dbraw/zinc/06/64/92/980066492.db2.gz KRSZDUYZMKGPLJ-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP CC1(C)C[NH+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104550 980155219 /nfs/dbraw/zinc/15/52/19/980155219.db2.gz WZWOWCQUYYWAOF-UHFFFAOYSA-N 2 2 215.300 2.176 20 0 BEADLP c1cc(C2=CCC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC001238938917 980375611 /nfs/dbraw/zinc/37/56/11/980375611.db2.gz CIYJVKCERCSJJU-UHFFFAOYSA-N 2 2 243.354 2.449 20 0 BEADLP c1cn2ccc(C3=CCC[NH2+]CC3)cc2[nH+]1 ZINC001238940680 980379207 /nfs/dbraw/zinc/37/92/07/980379207.db2.gz ULLKOGPHRVCWFF-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c[nH]1 ZINC000271024714 980538299 /nfs/dbraw/zinc/53/82/99/980538299.db2.gz DBOUXUAIPFHIMS-UHFFFAOYSA-N 2 2 247.386 2.465 20 0 BEADLP C[NH+](C)Cc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316639 980756854 /nfs/dbraw/zinc/75/68/54/980756854.db2.gz QKGDSYACSZBNLO-UHFFFAOYSA-N 2 2 229.327 2.187 20 0 BEADLP COc1cc[nH+]c(Nc2ccc3c[nH+]cn3c2)c1 ZINC001250324232 980764039 /nfs/dbraw/zinc/76/40/39/980764039.db2.gz QKMNJXXVKDUCEP-UHFFFAOYSA-N 2 2 240.266 2.482 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)C[NH+](C)C ZINC000157945901 981067272 /nfs/dbraw/zinc/06/72/72/981067272.db2.gz WNSFIEQAUXISBT-VXGBXAGGSA-N 2 2 238.350 2.296 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC001348851622 981458665 /nfs/dbraw/zinc/45/86/65/981458665.db2.gz DQHIGRSFLOIZIY-NXEZZACHSA-N 2 2 224.373 2.406 20 0 BEADLP CC(C)=Cc1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001240634968 981527937 /nfs/dbraw/zinc/52/79/37/981527937.db2.gz RVTKKXMSTFYTTP-UHFFFAOYSA-N 2 2 227.311 2.444 20 0 BEADLP CC(C)c1nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cs1 ZINC001349319275 981533774 /nfs/dbraw/zinc/53/37/74/981533774.db2.gz NAFPXRXHROBBHK-VHSXEESVSA-N 2 2 241.404 2.482 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240669106 981578252 /nfs/dbraw/zinc/57/82/52/981578252.db2.gz INDHJPIXSZEZBJ-UHFFFAOYSA-N 2 2 239.322 2.464 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccs2)C1 ZINC001205804113 982557825 /nfs/dbraw/zinc/55/78/25/982557825.db2.gz LSXWKFSGZPTEAY-QWRGUYRKSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccs2)C1 ZINC001205804113 982557833 /nfs/dbraw/zinc/55/78/33/982557833.db2.gz LSXWKFSGZPTEAY-QWRGUYRKSA-N 2 2 224.373 2.307 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])ccc1O ZINC001205827020 982657491 /nfs/dbraw/zinc/65/74/91/982657491.db2.gz FNLVCFFXYBNUEG-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])ccc1O ZINC001205827020 982657495 /nfs/dbraw/zinc/65/74/95/982657495.db2.gz FNLVCFFXYBNUEG-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1c(O)cccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205828147 982663980 /nfs/dbraw/zinc/66/39/80/982663980.db2.gz JRNXMHHYXAYIAE-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1c(O)cccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205828147 982663987 /nfs/dbraw/zinc/66/39/87/982663987.db2.gz JRNXMHHYXAYIAE-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1O ZINC001205844825 982779255 /nfs/dbraw/zinc/77/92/55/982779255.db2.gz YMMVLFHWLWKLFK-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1O ZINC001205844825 982779262 /nfs/dbraw/zinc/77/92/62/982779262.db2.gz YMMVLFHWLWKLFK-SMDDNHRTSA-N 2 2 248.370 2.260 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC001203914935 982827419 /nfs/dbraw/zinc/82/74/19/982827419.db2.gz DSRPXACMYRWZQI-UKRRQHHQSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC001203914935 982827423 /nfs/dbraw/zinc/82/74/23/982827423.db2.gz DSRPXACMYRWZQI-UKRRQHHQSA-N 2 2 248.345 2.209 20 0 BEADLP CC(C)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201482785 983285208 /nfs/dbraw/zinc/28/52/08/983285208.db2.gz NRPGTLIHPNYYEI-UHFFFAOYSA-N 2 2 212.381 2.447 20 0 BEADLP CC(C)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201482785 983285214 /nfs/dbraw/zinc/28/52/14/983285214.db2.gz NRPGTLIHPNYYEI-UHFFFAOYSA-N 2 2 212.381 2.447 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001202114629 983563995 /nfs/dbraw/zinc/56/39/95/983563995.db2.gz BWIUILIIOMWULD-QWHCGFSZSA-N 2 2 224.392 2.449 20 0 BEADLP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001202114629 983564019 /nfs/dbraw/zinc/56/40/19/983564019.db2.gz BWIUILIIOMWULD-QWHCGFSZSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001202114629 983564042 /nfs/dbraw/zinc/56/40/42/983564042.db2.gz BWIUILIIOMWULD-QWHCGFSZSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001202114629 983564060 /nfs/dbraw/zinc/56/40/60/983564060.db2.gz BWIUILIIOMWULD-QWHCGFSZSA-N 2 2 224.392 2.449 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+](CC1CCCC1)C2 ZINC001202140097 983571040 /nfs/dbraw/zinc/57/10/40/983571040.db2.gz WNWXYLNDXPJYEY-UHFFFAOYSA-N 2 2 219.332 2.197 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+](CC1CCCC1)C2 ZINC001202140097 983571049 /nfs/dbraw/zinc/57/10/49/983571049.db2.gz WNWXYLNDXPJYEY-UHFFFAOYSA-N 2 2 219.332 2.197 20 0 BEADLP CCc1[nH]c(C[NH+]2CC3CC(C3)C2)c(C)[nH+]1 ZINC001203247297 983630846 /nfs/dbraw/zinc/63/08/46/983630846.db2.gz AXYQBUFKBZVSHB-UHFFFAOYSA-N 2 2 219.332 2.122 20 0 BEADLP c1cn(Cc2ccccc2C2=CC[NH2+]CC2)c[nH+]1 ZINC001240466892 984300883 /nfs/dbraw/zinc/30/08/83/984300883.db2.gz KJSSPBOBANRWIZ-UHFFFAOYSA-N 2 2 239.322 2.308 20 0 BEADLP Cc1coc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000718035510 984378150 /nfs/dbraw/zinc/37/81/50/984378150.db2.gz KTPQKIOPWZREGM-UHFFFAOYSA-N 2 2 222.332 2.164 20 0 BEADLP [NH3+]CC[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(F)F ZINC001580284804 984498112 /nfs/dbraw/zinc/49/81/12/984498112.db2.gz SMFLTJZINMOLHL-ZDCRXTMVSA-N 2 2 232.318 2.137 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243111883 984576621 /nfs/dbraw/zinc/57/66/21/984576621.db2.gz UZBQHJUHJJNLBZ-UHFFFAOYSA-N 2 2 225.295 2.074 20 0 BEADLP C[C@@H]1CC(n2cc[nH+]c2CC[NH3+])C[C@@H](C)C1 ZINC000719345543 984631293 /nfs/dbraw/zinc/63/12/93/984631293.db2.gz JJPYPQGZGUBURQ-QWRGUYRKSA-N 2 2 221.348 2.382 20 0 BEADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)[nH]1 ZINC001276071921 984810580 /nfs/dbraw/zinc/81/05/80/984810580.db2.gz KAPCPFWKAWUWAR-HNNXBMFYSA-N 2 2 247.386 2.241 20 0 BEADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)[nH]1 ZINC001276071921 984810581 /nfs/dbraw/zinc/81/05/81/984810581.db2.gz KAPCPFWKAWUWAR-HNNXBMFYSA-N 2 2 247.386 2.241 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001276071921 984810583 /nfs/dbraw/zinc/81/05/83/984810583.db2.gz KAPCPFWKAWUWAR-HNNXBMFYSA-N 2 2 247.386 2.241 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001276071921 984810585 /nfs/dbraw/zinc/81/05/85/984810585.db2.gz KAPCPFWKAWUWAR-HNNXBMFYSA-N 2 2 247.386 2.241 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc2scnc2c1 ZINC001577887047 984812682 /nfs/dbraw/zinc/81/26/82/984812682.db2.gz CYLBTKZKEJXXQW-SNVBAGLBSA-N 2 2 249.383 2.384 20 0 BEADLP CCc1cc(NCCC2(C[NH3+])CC2)nc(CC)[nH+]1 ZINC001578249080 984906359 /nfs/dbraw/zinc/90/63/59/984906359.db2.gz MDXZHMFIWNVUJS-UHFFFAOYSA-N 2 2 248.374 2.142 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H]2CC)cc1 ZINC001578259629 984907529 /nfs/dbraw/zinc/90/75/29/984907529.db2.gz ASPRUYCLZOCJRJ-CABCVRRESA-N 2 2 232.371 2.479 20 0 BEADLP Nc1[nH+]cccc1-c1cccc(C2([NH3+])CC2)c1 ZINC001243476940 985034456 /nfs/dbraw/zinc/03/44/56/985034456.db2.gz FSQVIICYHDYEJA-UHFFFAOYSA-N 2 2 225.295 2.279 20 0 BEADLP Nc1[nH+]cccc1-c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001243477451 985036490 /nfs/dbraw/zinc/03/64/90/985036490.db2.gz PCMWWGPHQXSGBX-ZDUSSCGKSA-N 2 2 239.322 2.408 20 0 BEADLP C[NH2+]Cc1ccccc1-c1ccc[nH+]c1N ZINC001243476983 985038131 /nfs/dbraw/zinc/03/81/31/985038131.db2.gz HEVLQJKDNCLWKE-UHFFFAOYSA-N 2 2 213.284 2.050 20 0 BEADLP Cc1nc(NCc2ccc3c[nH+]cn3c2)cc[nH+]1 ZINC001458434412 985310503 /nfs/dbraw/zinc/31/05/03/985310503.db2.gz WQHFYFGHHZMPCD-UHFFFAOYSA-N 2 2 239.282 2.045 20 0 BEADLP C(=C/C1CC[NH2+]CC1)\c1c[nH+]c2c(c1)CCCN2 ZINC001243897656 985583544 /nfs/dbraw/zinc/58/35/44/985583544.db2.gz YRMVVAAABRYEGG-ONEGZZNKSA-N 2 2 243.354 2.453 20 0 BEADLP CSCC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001258213482 985643697 /nfs/dbraw/zinc/64/36/97/985643697.db2.gz QLQXLMPROPUQCZ-NSHDSACASA-N 2 2 240.372 2.192 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC001460563602 985863940 /nfs/dbraw/zinc/86/39/40/985863940.db2.gz XFPPKYCBRJEREZ-ZSHCYNCHSA-N 2 2 244.382 2.295 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1 ZINC001460563602 985863948 /nfs/dbraw/zinc/86/39/48/985863948.db2.gz XFPPKYCBRJEREZ-ZSHCYNCHSA-N 2 2 244.382 2.295 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C/C=C\c1cccc(F)c1 ZINC001579467550 985965440 /nfs/dbraw/zinc/96/54/40/985965440.db2.gz NYOYHXMEYPQCIJ-ORRWMOISSA-N 2 2 234.318 2.036 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001461813091 986168615 /nfs/dbraw/zinc/16/86/15/986168615.db2.gz WQGSWSFKKLPNPI-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001461813091 986168626 /nfs/dbraw/zinc/16/86/26/986168626.db2.gz WQGSWSFKKLPNPI-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP Cc1cccc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c1F ZINC001579760739 986217676 /nfs/dbraw/zinc/21/76/76/986217676.db2.gz PUFRMTZEWXUMCD-AWEZNQCLSA-N 2 2 236.334 2.351 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCc1ccccc1F)C2 ZINC001580158834 986630301 /nfs/dbraw/zinc/63/03/01/986630301.db2.gz XWLXKWMNEHQWFP-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCc1ccccc1F)C2 ZINC001580158834 986630309 /nfs/dbraw/zinc/63/03/09/986630309.db2.gz XWLXKWMNEHQWFP-ZFWWWQNUSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+]CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(F)F ZINC001580284911 986731981 /nfs/dbraw/zinc/73/19/81/986731981.db2.gz XMJDMALTHWEKRV-MMWGEVLESA-N 2 2 232.318 2.137 20 0 BEADLP [NH3+]CC[C@@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(F)F ZINC001580284913 986732883 /nfs/dbraw/zinc/73/28/83/986732883.db2.gz XMJDMALTHWEKRV-UKKRHICBSA-N 2 2 232.318 2.137 20 0 BEADLP Cc1cc(-c2ccccc2CC[NH3+])c[nH+]c1N ZINC001245539536 986923344 /nfs/dbraw/zinc/92/33/44/986923344.db2.gz MJYAZFPIERXGIU-UHFFFAOYSA-N 2 2 227.311 2.140 20 0 BEADLP Cc1cc(-c2cccc(C[NH3+])c2F)c[nH+]c1N ZINC001245539043 986924737 /nfs/dbraw/zinc/92/47/37/986924737.db2.gz FBSBYTMQKUIAIJ-UHFFFAOYSA-N 2 2 231.274 2.237 20 0 BEADLP Cc1[nH+]c(-c2ccncc2C[NH3+])cc2[nH]ccc21 ZINC001245558770 986950260 /nfs/dbraw/zinc/95/02/60/986950260.db2.gz UAHIHROMOLUNNO-UHFFFAOYSA-N 2 2 238.294 2.392 20 0 BEADLP Cc1c(-c2ccncc2C[NH3+])ccc2[nH+]ccn21 ZINC001245559962 986954055 /nfs/dbraw/zinc/95/40/55/986954055.db2.gz HPXMRCUFIUBPFT-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP Cc1cn2cc(-c3ccncc3C[NH3+])ccc2[nH+]1 ZINC001245560846 986954097 /nfs/dbraw/zinc/95/40/97/986954097.db2.gz WCZKMFJNVBUNSO-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP CCCCC[C@@H](O)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053273 987343564 /nfs/dbraw/zinc/34/35/64/987343564.db2.gz RBUYHWRCPURNOD-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCC[C@@H](O)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053273 987343569 /nfs/dbraw/zinc/34/35/69/987343569.db2.gz RBUYHWRCPURNOD-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246080301 987372204 /nfs/dbraw/zinc/37/22/04/987372204.db2.gz FCPMSEAPHQIJAC-QJPTWQEYSA-N 2 2 216.344 2.101 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC(C)(C)C1 ZINC001246080246 987373071 /nfs/dbraw/zinc/37/30/71/987373071.db2.gz DZKHXAGSQVNJMS-MROQNXINSA-N 2 2 242.382 2.491 20 0 BEADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCCCCCC1 ZINC001246086300 987385596 /nfs/dbraw/zinc/38/55/96/987385596.db2.gz KLQJOIRLBVNBKE-QWHCGFSZSA-N 2 2 228.355 2.389 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2F)C[C@@H](C)C1 ZINC001246085254 987385764 /nfs/dbraw/zinc/38/57/64/987385764.db2.gz HSEKUCWOMMJWBS-KSSYENDESA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088853 987389267 /nfs/dbraw/zinc/38/92/67/987389267.db2.gz YBJWXNWGECTFQF-XQQFMLRXSA-N 2 2 230.371 2.491 20 0 BEADLP CCCCC(CCCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246089958 987395288 /nfs/dbraw/zinc/39/52/88/987395288.db2.gz TZLRVYQDHNRCBN-AWEZNQCLSA-N 2 2 242.407 2.313 20 0 BEADLP C[C@@H]1CC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@@H](C)C1 ZINC001246090792 987399420 /nfs/dbraw/zinc/39/94/20/987399420.db2.gz HSEKUCWOMMJWBS-UKJIMTQDSA-N 2 2 228.355 2.101 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+]CC1(O)C[NH2+]C1 ZINC001246095349 987404925 /nfs/dbraw/zinc/40/49/25/987404925.db2.gz FXYATOHUWFMMDX-ZDUSSCGKSA-N 2 2 242.407 2.049 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2F)C[C@@H]1C ZINC001246101584 987425514 /nfs/dbraw/zinc/42/55/14/987425514.db2.gz VSOCZIRTRBZEQW-KSSYENDESA-N 2 2 228.355 2.101 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246104592 987432558 /nfs/dbraw/zinc/43/25/58/987432558.db2.gz BHDOHLZFGYEKPH-RNJOBUHISA-N 2 2 230.371 2.491 20 0 BEADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CS2 ZINC001246131454 987485383 /nfs/dbraw/zinc/48/53/83/987485383.db2.gz YFVOJMHAXNHZEV-STQMWFEESA-N 2 2 248.395 2.045 20 0 BEADLP Cn1c(C[NH2+][C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC001246165781 987526577 /nfs/dbraw/zinc/52/65/77/987526577.db2.gz LUHXFNRWHPWUPJ-CYBMUJFWSA-N 2 2 243.354 2.020 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N)c1 ZINC001246177915 987548160 /nfs/dbraw/zinc/54/81/60/987548160.db2.gz VQSNWXNAPGVWOR-SUNKGSAMSA-N 2 2 233.359 2.060 20 0 BEADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246191949 987576074 /nfs/dbraw/zinc/57/60/74/987576074.db2.gz BOOAQAHTUOMMRD-HZSPNIEDSA-N 2 2 242.407 2.025 20 0 BEADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246191950 987576615 /nfs/dbraw/zinc/57/66/15/987576615.db2.gz BOOAQAHTUOMMRD-MGPQQGTHSA-N 2 2 242.407 2.025 20 0 BEADLP Cc1cc(F)cc(C)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246201625 987600831 /nfs/dbraw/zinc/60/08/31/987600831.db2.gz WFAINFVXMBJIJP-CYBMUJFWSA-N 2 2 236.334 2.284 20 0 BEADLP CCCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473895690 987607068 /nfs/dbraw/zinc/60/70/68/987607068.db2.gz SAUPSLNHPPRWQQ-UHFFFAOYSA-N 2 2 221.348 2.400 20 0 BEADLP CCCCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1OC ZINC001246218915 987616664 /nfs/dbraw/zinc/61/66/64/987616664.db2.gz WBCPCKPBTPZJMZ-MGPQQGTHSA-N 2 2 242.407 2.312 20 0 BEADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240891 987641951 /nfs/dbraw/zinc/64/19/51/987641951.db2.gz RVRLTQUTKBNYHQ-MQYQWHSLSA-N 2 2 242.407 2.168 20 0 BEADLP CCCCC(CCCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246241287 987642437 /nfs/dbraw/zinc/64/24/37/987642437.db2.gz WLFIFLUJIGUFBJ-KBPBESRZSA-N 2 2 242.407 2.312 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)C[NH2+]1 ZINC001246329017 987734759 /nfs/dbraw/zinc/73/47/59/987734759.db2.gz MTOPWOLVAIAVMO-KCPJHIHWSA-N 2 2 245.370 2.263 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335336 987743711 /nfs/dbraw/zinc/74/37/11/987743711.db2.gz HUDHKPVFOHHOAJ-AVGNSLFASA-N 2 2 244.448 2.496 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CSCC[NH2+]2)C[C@H]1C ZINC001246337271 987746191 /nfs/dbraw/zinc/74/61/91/987746191.db2.gz QRYMRHZMRGJPSM-NDBYEHHHSA-N 2 2 242.432 2.106 20 0 BEADLP Cc1ccc(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC001246342076 987752455 /nfs/dbraw/zinc/75/24/55/987752455.db2.gz DZWSLGBCKDIUOD-UHFFFAOYSA-N 2 2 238.762 2.490 20 0 BEADLP CCCC(C[NH3+])(CCC)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246494151 987849665 /nfs/dbraw/zinc/84/96/65/987849665.db2.gz FKZZYRRELZCXSO-CYBMUJFWSA-N 3 2 241.423 2.016 20 0 BEADLP CC[C@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)CCO1 ZINC001246506465 987859594 /nfs/dbraw/zinc/85/95/94/987859594.db2.gz HIRZNMCIRBIGGI-QLFBSQMISA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246505676 987860231 /nfs/dbraw/zinc/86/02/31/987860231.db2.gz GBIIMSPBOAMOHU-IACUBPJLSA-N 2 2 218.344 2.465 20 0 BEADLP Cc1cncc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246521082 987869771 /nfs/dbraw/zinc/86/97/71/987869771.db2.gz YZSCOBDLZXWCSR-LSDHHAIUSA-N 2 2 245.370 2.183 20 0 BEADLP Cc1ccc2c(c1)C[N@H+]([C@@H]1CCCC[NH2+]C1)CC2 ZINC001246551395 987942103 /nfs/dbraw/zinc/94/21/03/987942103.db2.gz YTHJDHIIHYYUFI-MRXNPFEDSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCCC[NH2+]C1)CC2 ZINC001246551395 987942109 /nfs/dbraw/zinc/94/21/09/987942109.db2.gz YTHJDHIIHYYUFI-MRXNPFEDSA-N 2 2 244.382 2.495 20 0 BEADLP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551216 987942699 /nfs/dbraw/zinc/94/26/99/987942699.db2.gz XKSXNHJXUNGNRH-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551216 987942706 /nfs/dbraw/zinc/94/27/06/987942706.db2.gz XKSXNHJXUNGNRH-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552715 987950318 /nfs/dbraw/zinc/95/03/18/987950318.db2.gz YZNAGHQPKKTXSB-YRGRVCCFSA-N 2 2 248.370 2.048 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001246552715 987950327 /nfs/dbraw/zinc/95/03/27/987950327.db2.gz YZNAGHQPKKTXSB-YRGRVCCFSA-N 2 2 248.370 2.048 20 0 BEADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC001118059942 987998830 /nfs/dbraw/zinc/99/88/30/987998830.db2.gz VHAJYOKBRKTJJG-QWRGUYRKSA-N 2 2 242.725 2.449 20 0 BEADLP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569678 988055874 /nfs/dbraw/zinc/05/58/74/988055874.db2.gz RSFOLKJBXAYPHK-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP C[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569678 988055889 /nfs/dbraw/zinc/05/58/89/988055889.db2.gz RSFOLKJBXAYPHK-MNOVXSKESA-N 2 2 232.318 2.106 20 0 BEADLP CCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572693 988056516 /nfs/dbraw/zinc/05/65/16/988056516.db2.gz AVLZSXRILDDCBN-NWDGAFQWSA-N 2 2 216.344 2.328 20 0 BEADLP CCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572693 988056533 /nfs/dbraw/zinc/05/65/33/988056533.db2.gz AVLZSXRILDDCBN-NWDGAFQWSA-N 2 2 216.344 2.328 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246587762 988143447 /nfs/dbraw/zinc/14/34/47/988143447.db2.gz VJQMPXUSLRMOBU-QJPTWQEYSA-N 2 2 216.344 2.182 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246587762 988143434 /nfs/dbraw/zinc/14/34/34/988143434.db2.gz VJQMPXUSLRMOBU-QJPTWQEYSA-N 2 2 216.344 2.182 20 0 BEADLP C[N@H+](Cc1cc2ccccc2[nH]1)CC(C)(C)[NH3+] ZINC001118241181 988143660 /nfs/dbraw/zinc/14/36/60/988143660.db2.gz APNPXSXHQYYRPW-UHFFFAOYSA-N 2 2 231.343 2.337 20 0 BEADLP C[N@@H+](Cc1cc2ccccc2[nH]1)CC(C)(C)[NH3+] ZINC001118241181 988143676 /nfs/dbraw/zinc/14/36/76/988143676.db2.gz APNPXSXHQYYRPW-UHFFFAOYSA-N 2 2 231.343 2.337 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH+]1CC(C)(C[NH3+])C1 ZINC001246593791 988188258 /nfs/dbraw/zinc/18/82/58/988188258.db2.gz FGOJLUBLOPUGII-LLVKDONJSA-N 2 2 236.334 2.037 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641473 988347678 /nfs/dbraw/zinc/34/76/78/988347678.db2.gz IIZLUQXGDFMESW-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001246641473 988347696 /nfs/dbraw/zinc/34/76/96/988347696.db2.gz IIZLUQXGDFMESW-YIYPIFLZSA-N 2 2 240.391 2.016 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCCCCC1)C2 ZINC001246656652 988387670 /nfs/dbraw/zinc/38/76/70/988387670.db2.gz NYQOOXCBXUOTTQ-WCQYABFASA-N 2 2 208.349 2.132 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCCCCC1)C2 ZINC001246656652 988387679 /nfs/dbraw/zinc/38/76/79/988387679.db2.gz NYQOOXCBXUOTTQ-WCQYABFASA-N 2 2 208.349 2.132 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664641 988405499 /nfs/dbraw/zinc/40/54/99/988405499.db2.gz YUAFTABHHKJMKC-YNEHKIRRSA-N 2 2 210.365 2.234 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246664641 988405506 /nfs/dbraw/zinc/40/55/06/988405506.db2.gz YUAFTABHHKJMKC-YNEHKIRRSA-N 2 2 210.365 2.234 20 0 BEADLP CCCCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246848251 988564949 /nfs/dbraw/zinc/56/49/49/988564949.db2.gz XXLCNEUKRUFFFX-MELADBBJSA-N 2 2 242.407 2.129 20 0 BEADLP CCCCCC[C@H](CCC)[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246848251 988564959 /nfs/dbraw/zinc/56/49/59/988564959.db2.gz XXLCNEUKRUFFFX-MELADBBJSA-N 2 2 242.407 2.129 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001118895212 988677783 /nfs/dbraw/zinc/67/77/83/988677783.db2.gz LADNVZITEHZQGB-JKSUJKDBSA-N 2 2 244.382 2.405 20 0 BEADLP CCCOc1ccc2[nH+]c(CCC[NH3+])n(C)c2c1 ZINC001247041785 988847002 /nfs/dbraw/zinc/84/70/02/988847002.db2.gz ABTUDQDHMGFQNA-UHFFFAOYSA-N 2 2 247.342 2.253 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)cc1 ZINC001325036100 989063774 /nfs/dbraw/zinc/06/37/74/989063774.db2.gz AFJONSZJFNBXRD-GFCCVEGCSA-N 2 2 247.317 2.243 20 0 BEADLP C[C@@H]([NH2+]C/C=C\C1CC1)[C@H]1CCCC[NH2+]1 ZINC001325718141 989236820 /nfs/dbraw/zinc/23/68/20/989236820.db2.gz QJUVXGRHEOCSHH-FTGSRHIXSA-N 2 2 208.349 2.073 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1C[NH2+]C1 ZINC001325717136 989238823 /nfs/dbraw/zinc/23/88/23/989238823.db2.gz MFCHSEILXLWMIG-MRVPVSSYSA-N 2 2 242.725 2.177 20 0 BEADLP C[C@H]([NH2+]Cc1cccc(Cl)c1F)C1C[NH2+]C1 ZINC001325717138 989239999 /nfs/dbraw/zinc/23/99/99/989239999.db2.gz MFCHSEILXLWMIG-QMMMGPOBSA-N 2 2 242.725 2.177 20 0 BEADLP CC[C@@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@H]1CCCO1 ZINC001119733195 989375612 /nfs/dbraw/zinc/37/56/12/989375612.db2.gz ZGIOHSSKZXEFMJ-DGCLKSJQSA-N 2 2 237.347 2.074 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccn1C1CC1 ZINC001326430566 989556269 /nfs/dbraw/zinc/55/62/69/989556269.db2.gz POVXSCRQQWIVOQ-GFCCVEGCSA-N 2 2 244.342 2.198 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccnc1Cl ZINC001326474622 989571920 /nfs/dbraw/zinc/57/19/20/989571920.db2.gz YXYKESQKPBLMAU-NXEZZACHSA-N 2 2 241.766 2.384 20 0 BEADLP C[C@@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCCC[NH2+]1 ZINC001326473920 989572313 /nfs/dbraw/zinc/57/23/13/989572313.db2.gz QJUVXGRHEOCSHH-JLXHFUFZSA-N 2 2 208.349 2.073 20 0 BEADLP CCc1ccc(NCCn2cc[nH+]c2C)[nH+]c1 ZINC001120953377 989986291 /nfs/dbraw/zinc/98/62/91/989986291.db2.gz KFDXHNGDXJZALS-UHFFFAOYSA-N 2 2 230.315 2.261 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cnsc1 ZINC001308556242 991037053 /nfs/dbraw/zinc/03/70/53/991037053.db2.gz YBCACTFWZUYMIJ-LLVKDONJSA-N 2 2 241.404 2.353 20 0 BEADLP C[C@@H](Cc1ccco1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258184833 991085955 /nfs/dbraw/zinc/08/59/55/991085955.db2.gz JNMCNRCEQGTEIV-LBPRGKRZSA-N 2 2 236.359 2.237 20 0 BEADLP C[C@@H](Cc1ccco1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258184833 991085964 /nfs/dbraw/zinc/08/59/64/991085964.db2.gz JNMCNRCEQGTEIV-LBPRGKRZSA-N 2 2 236.359 2.237 20 0 BEADLP Cc1[nH+]cn([C@H](C)CC2CC2)c1CC[NH3+] ZINC001258449223 991397565 /nfs/dbraw/zinc/39/75/65/991397565.db2.gz ZFQNQADTBQDYDN-SECBINFHSA-N 2 2 207.321 2.054 20 0 BEADLP C[C@H](CC1CC1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258470910 991435201 /nfs/dbraw/zinc/43/52/01/991435201.db2.gz SOPMEKCZHAQHFB-BNOWGMLFSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258470910 991435209 /nfs/dbraw/zinc/43/52/09/991435209.db2.gz SOPMEKCZHAQHFB-BNOWGMLFSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258470910 991435215 /nfs/dbraw/zinc/43/52/15/991435215.db2.gz SOPMEKCZHAQHFB-BNOWGMLFSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258470910 991435219 /nfs/dbraw/zinc/43/52/19/991435219.db2.gz SOPMEKCZHAQHFB-BNOWGMLFSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC001560969438 991674282 /nfs/dbraw/zinc/67/42/82/991674282.db2.gz OEGRLTSECTYKRC-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC001560969438 991674286 /nfs/dbraw/zinc/67/42/86/991674286.db2.gz OEGRLTSECTYKRC-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP CCC[NH+]1CCC([NH2+]C(C)(C)CC(C)=O)CC1 ZINC001258769527 991731109 /nfs/dbraw/zinc/73/11/09/991731109.db2.gz RTHVKKNKCYDBCY-UHFFFAOYSA-N 2 2 240.391 2.208 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001258777732 991745989 /nfs/dbraw/zinc/74/59/89/991745989.db2.gz GKENKVKZRAXWTP-CYBMUJFWSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2CF)CC1 ZINC001258777732 991745999 /nfs/dbraw/zinc/74/59/99/991745999.db2.gz GKENKVKZRAXWTP-CYBMUJFWSA-N 2 2 228.355 2.295 20 0 BEADLP CS[C@@H]1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441772 991870104 /nfs/dbraw/zinc/87/01/04/991870104.db2.gz CSCLBPBDZVKHHN-VXGBXAGGSA-N 2 2 239.388 2.099 20 0 BEADLP CS[C@@H]1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC001319441772 991870108 /nfs/dbraw/zinc/87/01/08/991870108.db2.gz CSCLBPBDZVKHHN-VXGBXAGGSA-N 2 2 239.388 2.099 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001261297810 992259751 /nfs/dbraw/zinc/25/97/51/992259751.db2.gz PHAYISNJMVZJBR-KBPBESRZSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001261297810 992259762 /nfs/dbraw/zinc/25/97/62/992259762.db2.gz PHAYISNJMVZJBR-KBPBESRZSA-N 2 2 247.386 2.475 20 0 BEADLP CC(C)c1nc(C[NH2+][C@@H](C)CC[NH3+])cs1 ZINC001261370463 992266891 /nfs/dbraw/zinc/26/68/91/992266891.db2.gz KEYFLAALRKBLAD-VIFPVBQESA-N 2 2 227.377 2.093 20 0 BEADLP C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001574979915 992957373 /nfs/dbraw/zinc/95/73/73/992957373.db2.gz NDHPQTHQNJDQOR-SRXBQZRASA-N 2 2 218.344 2.369 20 0 BEADLP C/C(=C\c1ccccc1)C[N@H+](C)C[C@H](C)[NH3+] ZINC001574979915 992957385 /nfs/dbraw/zinc/95/73/85/992957385.db2.gz NDHPQTHQNJDQOR-SRXBQZRASA-N 2 2 218.344 2.369 20 0 BEADLP C[NH+]1CC(C[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000379452231 993241204 /nfs/dbraw/zinc/24/12/04/993241204.db2.gz LBLBGOUMEKMHOA-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C/C=C\C2CC2)C[N@@H+]1C1CC1 ZINC000382310308 993449351 /nfs/dbraw/zinc/44/93/51/993449351.db2.gz PXABLLWFGHZUAK-FIFDWTMUSA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C/C=C\C2CC2)C[N@H+]1C1CC1 ZINC000382310308 993449355 /nfs/dbraw/zinc/44/93/55/993449355.db2.gz PXABLLWFGHZUAK-FIFDWTMUSA-N 2 2 220.360 2.167 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000382515067 993462145 /nfs/dbraw/zinc/46/21/45/993462145.db2.gz QXMBPOZZEQSBQZ-NWDGAFQWSA-N 2 2 248.374 2.012 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000382515062 993462675 /nfs/dbraw/zinc/46/26/75/993462675.db2.gz QXMBPOZZEQSBQZ-NEPJUHHUSA-N 2 2 248.374 2.012 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000383179511 993486126 /nfs/dbraw/zinc/48/61/26/993486126.db2.gz MPPXLQBQWVZRJK-GFCCVEGCSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000383179511 993486127 /nfs/dbraw/zinc/48/61/27/993486127.db2.gz MPPXLQBQWVZRJK-GFCCVEGCSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000389444800 993750488 /nfs/dbraw/zinc/75/04/88/993750488.db2.gz OUFBVVNXLNBDQB-BFHYXJOUSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000389444800 993750496 /nfs/dbraw/zinc/75/04/96/993750496.db2.gz OUFBVVNXLNBDQB-BFHYXJOUSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000389444808 993752433 /nfs/dbraw/zinc/75/24/33/993752433.db2.gz OUFBVVNXLNBDQB-MGPQQGTHSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC000389444808 993752439 /nfs/dbraw/zinc/75/24/39/993752439.db2.gz OUFBVVNXLNBDQB-MGPQQGTHSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797068 994048907 /nfs/dbraw/zinc/04/89/07/994048907.db2.gz ISVQHVPNDVIGGD-WDEREUQCSA-N 2 2 232.318 2.248 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797068 994048917 /nfs/dbraw/zinc/04/89/17/994048917.db2.gz ISVQHVPNDVIGGD-WDEREUQCSA-N 2 2 232.318 2.248 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797067 994050704 /nfs/dbraw/zinc/05/07/04/994050704.db2.gz ISVQHVPNDVIGGD-QWRGUYRKSA-N 2 2 232.318 2.248 20 0 BEADLP C[C@H]1CC[C@H]([N@H+]2CCCC(F)(F)CC2)C[NH2+]1 ZINC000702797067 994050709 /nfs/dbraw/zinc/05/07/09/994050709.db2.gz ISVQHVPNDVIGGD-QWRGUYRKSA-N 2 2 232.318 2.248 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CC2 ZINC001621269996 1170754933 /nfs/dbraw/zinc/75/49/33/1170754933.db2.gz KTOLJSBKOTXNQX-XUXIUFHCSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1Cc2ccccc2C1 ZINC000042598088 1171243138 /nfs/dbraw/zinc/24/31/38/1171243138.db2.gz COFGHHIZDOQDNO-CYBMUJFWSA-N 2 2 244.382 2.228 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000070344524 398138532 /nfs/dbraw/zinc/13/85/32/398138532.db2.gz WSVXHEUOBQWOMX-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cscn1 ZINC000161211724 538915039 /nfs/dbraw/zinc/91/50/39/538915039.db2.gz KKJZKUTZDNYXPX-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cscn1 ZINC000161211724 538915040 /nfs/dbraw/zinc/91/50/40/538915040.db2.gz KKJZKUTZDNYXPX-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000378684634 346808675 /nfs/dbraw/zinc/80/86/75/346808675.db2.gz DJULHDAOZMMGKZ-UMSGYPCISA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000378684634 346808677 /nfs/dbraw/zinc/80/86/77/346808677.db2.gz DJULHDAOZMMGKZ-UMSGYPCISA-N 2 2 210.365 2.105 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324800509 262795994 /nfs/dbraw/zinc/79/59/94/262795994.db2.gz PBVRZZINHDZJEM-CQSZACIVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C ZINC000161985160 538920187 /nfs/dbraw/zinc/92/01/87/538920187.db2.gz IHPIREZYIODRBR-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C ZINC000161985160 538920188 /nfs/dbraw/zinc/92/01/88/538920188.db2.gz IHPIREZYIODRBR-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)s1 ZINC000335913202 178001453 /nfs/dbraw/zinc/00/14/53/178001453.db2.gz UXJHFHVAOUKHIS-BXKDBHETSA-N 2 2 224.373 2.286 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)s1 ZINC000335913202 178001456 /nfs/dbraw/zinc/00/14/56/178001456.db2.gz UXJHFHVAOUKHIS-BXKDBHETSA-N 2 2 224.373 2.286 20 0 BEADLP C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C(C)(C)C ZINC000379511447 398151440 /nfs/dbraw/zinc/15/14/40/398151440.db2.gz SDNVIYNQAVQXMG-QWRGUYRKSA-N 2 2 200.370 2.208 20 0 BEADLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1F ZINC000050544690 178021485 /nfs/dbraw/zinc/02/14/85/178021485.db2.gz ATTWOZOXVOQMLN-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP C[N@@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000042436887 398172220 /nfs/dbraw/zinc/17/22/20/398172220.db2.gz PEUVRUZQEOYIDY-GFCCVEGCSA-N 2 2 236.334 2.257 20 0 BEADLP C[N@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000042436887 398172222 /nfs/dbraw/zinc/17/22/22/398172222.db2.gz PEUVRUZQEOYIDY-GFCCVEGCSA-N 2 2 236.334 2.257 20 0 BEADLP Cc1ccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)nc1 ZINC000649902538 398175555 /nfs/dbraw/zinc/17/55/55/398175555.db2.gz AROLXXWCSGPONG-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)nc1 ZINC000649902538 398175557 /nfs/dbraw/zinc/17/55/57/398175557.db2.gz AROLXXWCSGPONG-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)nc1 ZINC000649902538 398175561 /nfs/dbraw/zinc/17/55/61/398175561.db2.gz AROLXXWCSGPONG-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)nc1 ZINC000649902538 398175562 /nfs/dbraw/zinc/17/55/62/398175562.db2.gz AROLXXWCSGPONG-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3occc32)c1 ZINC000313278498 398182244 /nfs/dbraw/zinc/18/22/44/398182244.db2.gz BNGFDWHFWHHTRT-ZDUSSCGKSA-N 2 2 245.326 2.223 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C2CC2)cc1 ZINC000300761012 398160561 /nfs/dbraw/zinc/16/05/61/398160561.db2.gz AQNQZXYTVFLFRI-UHFFFAOYSA-N 2 2 218.344 2.345 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C2CC2)cc1 ZINC000300761012 398160564 /nfs/dbraw/zinc/16/05/64/398160564.db2.gz AQNQZXYTVFLFRI-UHFFFAOYSA-N 2 2 218.344 2.345 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000423174147 398164562 /nfs/dbraw/zinc/16/45/62/398164562.db2.gz BLFNDFKFAGZCCW-FVCCEPFGSA-N 2 2 228.355 2.387 20 0 BEADLP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000094951112 178084063 /nfs/dbraw/zinc/08/40/63/178084063.db2.gz HHMYPSNZYKQISA-CQSZACIVSA-N 2 2 236.334 2.018 20 0 BEADLP Cc1cc([NH+](C)C)ccc1NCc1[nH]cc[nH+]1 ZINC000058930807 178094856 /nfs/dbraw/zinc/09/48/56/178094856.db2.gz OPOKKEUSCAXZNO-UHFFFAOYSA-N 2 2 230.315 2.396 20 0 BEADLP CO[C@H](C[N@@H+]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000386019429 398194148 /nfs/dbraw/zinc/19/41/48/398194148.db2.gz WTBXCPICGMRBOM-LSDHHAIUSA-N 2 2 248.370 2.187 20 0 BEADLP CO[C@H](C[N@H+]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000386019429 398194150 /nfs/dbraw/zinc/19/41/50/398194150.db2.gz WTBXCPICGMRBOM-LSDHHAIUSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1cc(C[NH2+]CCc2cn(C)c[nH+]2)ccc1F ZINC000313281083 398184851 /nfs/dbraw/zinc/18/48/51/398184851.db2.gz KKUDZWKEGNEWEA-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000127316598 178119481 /nfs/dbraw/zinc/11/94/81/178119481.db2.gz HFOLHNOZHLZZIH-NEPJUHHUSA-N 2 2 248.374 2.082 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185207521 136219673 /nfs/dbraw/zinc/21/96/73/136219673.db2.gz CWUPJPBVOZIXOA-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185207521 136219674 /nfs/dbraw/zinc/21/96/74/136219674.db2.gz CWUPJPBVOZIXOA-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000380730988 398206696 /nfs/dbraw/zinc/20/66/96/398206696.db2.gz IIIJWGCKPDQWDT-ZFWWWQNUSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000380730988 398206700 /nfs/dbraw/zinc/20/67/00/398206700.db2.gz IIIJWGCKPDQWDT-ZFWWWQNUSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccncc1 ZINC000649420210 398219375 /nfs/dbraw/zinc/21/93/75/398219375.db2.gz NGYPGSLIILKQHE-GFQSEFKGSA-N 2 2 233.359 2.119 20 0 BEADLP Cc1cc(NCC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC000172014335 178161547 /nfs/dbraw/zinc/16/15/47/178161547.db2.gz ZDVOXYQCSQGAPL-UHFFFAOYSA-N 2 2 246.358 2.170 20 0 BEADLP Cc1cc(NC[C@@H]2CCC[N@@H+]2C)nc(C(C)C)[nH+]1 ZINC000133618741 178167855 /nfs/dbraw/zinc/16/78/55/178167855.db2.gz IHRVSUHDNUXEMU-LBPRGKRZSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1cc(NC[C@@H]2CCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000133618741 178167856 /nfs/dbraw/zinc/16/78/56/178167856.db2.gz IHRVSUHDNUXEMU-LBPRGKRZSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000037647713 178170522 /nfs/dbraw/zinc/17/05/22/178170522.db2.gz WMXGFIAQFCJCFX-GFCCVEGCSA-N 2 2 248.374 2.272 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000037647713 178170523 /nfs/dbraw/zinc/17/05/23/178170523.db2.gz WMXGFIAQFCJCFX-GFCCVEGCSA-N 2 2 248.374 2.272 20 0 BEADLP Cc1cc(NCc2c[nH+]cn2C)ccc1[NH+](C)C ZINC000120183211 178175631 /nfs/dbraw/zinc/17/56/31/178175631.db2.gz IWBZESZZDXNFIH-UHFFFAOYSA-N 2 2 244.342 2.407 20 0 BEADLP Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000275772858 178192558 /nfs/dbraw/zinc/19/25/58/178192558.db2.gz HEZKWKBBHHEDKD-JQWIXIFHSA-N 2 2 246.358 2.131 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC000430575478 398229080 /nfs/dbraw/zinc/22/90/80/398229080.db2.gz UXJPPVWRECRGMI-CYBMUJFWSA-N 2 2 240.297 2.182 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@]12CCOC2 ZINC000421397315 192328750 /nfs/dbraw/zinc/32/87/50/192328750.db2.gz DFMMPZXKWODQSZ-HNNXBMFYSA-N 2 2 246.354 2.187 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@]12CCOC2 ZINC000421397315 192328752 /nfs/dbraw/zinc/32/87/52/192328752.db2.gz DFMMPZXKWODQSZ-HNNXBMFYSA-N 2 2 246.354 2.187 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCO[C@](C)(CC)C1 ZINC000191895094 361776080 /nfs/dbraw/zinc/77/60/80/361776080.db2.gz VITJVIBYVXSSSW-CQSZACIVSA-N 2 2 242.407 2.219 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCO[C@](C)(CC)C1 ZINC000191895094 361776088 /nfs/dbraw/zinc/77/60/88/361776088.db2.gz VITJVIBYVXSSSW-CQSZACIVSA-N 2 2 242.407 2.219 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)oc1C ZINC000282453137 178227831 /nfs/dbraw/zinc/22/78/31/178227831.db2.gz ZYDXJWDNQRAWPG-LLVKDONJSA-N 2 2 233.315 2.444 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000337547554 178252918 /nfs/dbraw/zinc/25/29/18/178252918.db2.gz MKOCWPMJYVIFHL-XQQFMLRXSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000337547554 178252921 /nfs/dbraw/zinc/25/29/21/178252921.db2.gz MKOCWPMJYVIFHL-XQQFMLRXSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)no1 ZINC000337552939 178258753 /nfs/dbraw/zinc/25/87/53/178258753.db2.gz PNPHGQJGMMXWJP-DLOVCJGASA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)no1 ZINC000337552939 178258754 /nfs/dbraw/zinc/25/87/54/178258754.db2.gz PNPHGQJGMMXWJP-DLOVCJGASA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)o1 ZINC000044730070 178258812 /nfs/dbraw/zinc/25/88/12/178258812.db2.gz XPSHMHXKOODOAF-JQWIXIFHSA-N 2 2 222.332 2.299 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465729 136229156 /nfs/dbraw/zinc/22/91/56/136229156.db2.gz BZZMQQMJCXOUJP-ZYHUDNBSSA-N 2 2 236.384 2.467 20 0 BEADLP c1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000232465836 136229212 /nfs/dbraw/zinc/22/92/12/136229212.db2.gz YOIAHIUYYNPKEG-CABCVRRESA-N 2 2 230.355 2.479 20 0 BEADLP Cc1cc2[nH+]cn(Cc3c[nH+]cn3C)c2cc1C ZINC000122206927 178304830 /nfs/dbraw/zinc/30/48/30/178304830.db2.gz XHYNCZVVHMHORQ-UHFFFAOYSA-N 2 2 240.310 2.435 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000250289747 398251734 /nfs/dbraw/zinc/25/17/34/398251734.db2.gz PSSGSJPJXJKVGD-UXIGCNINSA-N 2 2 247.386 2.208 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000250289747 398251738 /nfs/dbraw/zinc/25/17/38/398251738.db2.gz PSSGSJPJXJKVGD-UXIGCNINSA-N 2 2 247.386 2.208 20 0 BEADLP COc1c(C)cc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000259235821 349566337 /nfs/dbraw/zinc/56/63/37/349566337.db2.gz YCQCVGSVFWMLIA-CQSZACIVSA-N 2 2 248.370 2.106 20 0 BEADLP COc1c(C)cc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000259235821 349566339 /nfs/dbraw/zinc/56/63/39/349566339.db2.gz YCQCVGSVFWMLIA-CQSZACIVSA-N 2 2 248.370 2.106 20 0 BEADLP CC(C)CCC[NH2+]CC(C)(C)[NH+](C)C ZINC000165221742 361836616 /nfs/dbraw/zinc/83/66/16/361836616.db2.gz STGWCOCBHNJEIG-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000561975827 323009827 /nfs/dbraw/zinc/00/98/27/323009827.db2.gz JDCOLLCGTNDQMU-NSHDSACASA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000561975827 323009828 /nfs/dbraw/zinc/00/98/28/323009828.db2.gz JDCOLLCGTNDQMU-NSHDSACASA-N 2 2 219.332 2.010 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189084876 346857195 /nfs/dbraw/zinc/85/71/95/346857195.db2.gz WYJFFPBEGVOONI-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189084876 346857198 /nfs/dbraw/zinc/85/71/98/346857198.db2.gz WYJFFPBEGVOONI-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H](CCCC(F)(F)F)[NH2+]CC[NH+](C)C ZINC000166648363 361854927 /nfs/dbraw/zinc/85/49/27/361854927.db2.gz QLXOGHDLBBXDQZ-SECBINFHSA-N 2 2 226.286 2.259 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000335606629 136236222 /nfs/dbraw/zinc/23/62/22/136236222.db2.gz ZWQHFIHZRWCRCK-QWHCGFSZSA-N 2 2 220.360 2.312 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000335606629 136236223 /nfs/dbraw/zinc/23/62/23/136236223.db2.gz ZWQHFIHZRWCRCK-QWHCGFSZSA-N 2 2 220.360 2.312 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000040672003 538972737 /nfs/dbraw/zinc/97/27/37/538972737.db2.gz HWFATSWGCOAGKJ-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000040672003 538972738 /nfs/dbraw/zinc/97/27/38/538972738.db2.gz HWFATSWGCOAGKJ-JSGCOSHPSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000040672001 538972871 /nfs/dbraw/zinc/97/28/71/538972871.db2.gz HWFATSWGCOAGKJ-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040672001 538972872 /nfs/dbraw/zinc/97/28/72/538972872.db2.gz HWFATSWGCOAGKJ-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672340 538973129 /nfs/dbraw/zinc/97/31/29/538973129.db2.gz OAPFPWOIFXFUKH-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672340 538973131 /nfs/dbraw/zinc/97/31/31/538973131.db2.gz OAPFPWOIFXFUKH-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(C(F)(F)C[NH3+])cc1 ZINC000630052916 361922412 /nfs/dbraw/zinc/92/24/12/361922412.db2.gz NNTSRJKRRWYOEC-UHFFFAOYSA-N 2 2 237.253 2.138 20 0 BEADLP CC[C@H]([NH3+])Cc1ccc(-c2[nH+]ccn2C)cc1 ZINC000630053254 361922508 /nfs/dbraw/zinc/92/25/08/361922508.db2.gz RCIOQXLHMCIYBE-ZDUSSCGKSA-N 2 2 229.327 2.367 20 0 BEADLP CO[C@H](c1ccc(-c2[nH+]ccn2C)cc1)[C@H](C)[NH3+] ZINC000630052934 361922652 /nfs/dbraw/zinc/92/26/52/361922652.db2.gz NRLNCKAMTWUVDY-GWCFXTLKSA-N 2 2 245.326 2.122 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044725724 538990340 /nfs/dbraw/zinc/99/03/40/538990340.db2.gz QFHFZMQIAVEXPO-LLVKDONJSA-N 2 2 217.316 2.039 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044725724 538990343 /nfs/dbraw/zinc/99/03/43/538990343.db2.gz QFHFZMQIAVEXPO-LLVKDONJSA-N 2 2 217.316 2.039 20 0 BEADLP CCc1cc(NCCC2CC[NH+](C)CC2)nc[nH+]1 ZINC000134588574 342871166 /nfs/dbraw/zinc/87/11/66/342871166.db2.gz HTYRFTJBXAUJCJ-UHFFFAOYSA-N 2 2 248.374 2.183 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCCCC1 ZINC000035275500 342886714 /nfs/dbraw/zinc/88/67/14/342886714.db2.gz BRCCUYQMNOMPEU-NSHDSACASA-N 2 2 207.321 2.194 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410865 398329360 /nfs/dbraw/zinc/32/93/60/398329360.db2.gz CGHDCCSWLFATNJ-NOZJJQNGSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410865 398329361 /nfs/dbraw/zinc/32/93/61/398329361.db2.gz CGHDCCSWLFATNJ-NOZJJQNGSA-N 2 2 248.374 2.296 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313268684 259332923 /nfs/dbraw/zinc/33/29/23/259332923.db2.gz WLLSPBQSDLNYCE-WCQYABFASA-N 2 2 221.348 2.131 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@H+](C)C1CC1 ZINC000304590730 259335553 /nfs/dbraw/zinc/33/55/53/259335553.db2.gz PGLQBNDWVQBBJV-WVWOOGAGSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)C1CC1 ZINC000304590730 259335555 /nfs/dbraw/zinc/33/55/55/259335555.db2.gz PGLQBNDWVQBBJV-WVWOOGAGSA-N 2 2 222.376 2.247 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1CCC(C)CC1 ZINC000019919182 342963251 /nfs/dbraw/zinc/96/32/51/342963251.db2.gz CPOIJZYMWMEZJG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)o1 ZINC000019958647 342964613 /nfs/dbraw/zinc/96/46/13/342964613.db2.gz MNZAMVDGZXXJHO-NSHDSACASA-N 2 2 210.321 2.190 20 0 BEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@@H](C)F ZINC000351868686 136258713 /nfs/dbraw/zinc/25/87/13/136258713.db2.gz GJEBGUAIJWIEBV-YPMHNXCESA-N 2 2 239.338 2.404 20 0 BEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000351868686 136258714 /nfs/dbraw/zinc/25/87/14/136258714.db2.gz GJEBGUAIJWIEBV-YPMHNXCESA-N 2 2 239.338 2.404 20 0 BEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@H](C)F ZINC000351868683 136258765 /nfs/dbraw/zinc/25/87/65/136258765.db2.gz GJEBGUAIJWIEBV-AAEUAGOBSA-N 2 2 239.338 2.404 20 0 BEADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000351868683 136258766 /nfs/dbraw/zinc/25/87/66/136258766.db2.gz GJEBGUAIJWIEBV-AAEUAGOBSA-N 2 2 239.338 2.404 20 0 BEADLP Cn1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000335910829 136262907 /nfs/dbraw/zinc/26/29/07/136262907.db2.gz MLHGZQKORQSEIL-UHFFFAOYSA-N 2 2 244.342 2.128 20 0 BEADLP C[C@H]1C[NH+](CCn2cc[nH+]c2)C[C@H](C)C1(F)F ZINC000625656201 344025683 /nfs/dbraw/zinc/02/56/83/344025683.db2.gz ZVPZDRNEFVWLLQ-QWRGUYRKSA-N 2 2 243.301 2.106 20 0 BEADLP Cc1c[nH+]c(C)nc1N(C)CCC[NH+]1CCCC1 ZINC000576838101 365700582 /nfs/dbraw/zinc/70/05/82/365700582.db2.gz OPXRBLGTUGOEGN-UHFFFAOYSA-N 2 2 248.374 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@@H+]1C1CC1 ZINC000119909852 343101178 /nfs/dbraw/zinc/10/11/78/343101178.db2.gz XFLGMLADRUFEMF-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CC2)C[N@H+]1C1CC1 ZINC000119909852 343101180 /nfs/dbraw/zinc/10/11/80/343101180.db2.gz XFLGMLADRUFEMF-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000111393183 343157686 /nfs/dbraw/zinc/15/76/86/343157686.db2.gz DAEVLYAYEQEZRW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)C ZINC000111393183 343157687 /nfs/dbraw/zinc/15/76/87/343157687.db2.gz DAEVLYAYEQEZRW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1coc(-c2ccccc2)n1 ZINC000123350814 343162169 /nfs/dbraw/zinc/16/21/69/343162169.db2.gz XVQVCQZAVAGTES-UHFFFAOYSA-N 2 2 245.326 2.122 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1coc(-c2ccccc2)n1 ZINC000123350814 343162170 /nfs/dbraw/zinc/16/21/70/343162170.db2.gz XVQVCQZAVAGTES-UHFFFAOYSA-N 2 2 245.326 2.122 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000082774597 136277049 /nfs/dbraw/zinc/27/70/49/136277049.db2.gz TZDPNVQOYFZRBO-AWEZNQCLSA-N 2 2 218.344 2.091 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000634687687 343241855 /nfs/dbraw/zinc/24/18/55/343241855.db2.gz VIGNZKBJXMTSCM-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000634687687 343241857 /nfs/dbraw/zinc/24/18/57/343241857.db2.gz VIGNZKBJXMTSCM-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000034774274 343278258 /nfs/dbraw/zinc/27/82/58/343278258.db2.gz BLRQMBGXUBPPLR-AAEUAGOBSA-N 2 2 204.317 2.041 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000034774274 343278260 /nfs/dbraw/zinc/27/82/60/343278260.db2.gz BLRQMBGXUBPPLR-AAEUAGOBSA-N 2 2 204.317 2.041 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000035275251 343291845 /nfs/dbraw/zinc/29/18/45/343291845.db2.gz CXGZJLBVRGUEGM-JTQLQIEISA-N 2 2 235.356 2.431 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274977 343292000 /nfs/dbraw/zinc/29/20/00/343292000.db2.gz KSOWEWLATCGWCL-ZDUSSCGKSA-N 2 2 229.327 2.370 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000335607641 136298433 /nfs/dbraw/zinc/29/84/33/136298433.db2.gz BROJHOBMMUHKOC-RYUDHWBXSA-N 2 2 222.332 2.338 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC000038087712 343369828 /nfs/dbraw/zinc/36/98/28/343369828.db2.gz CTBGZFDWRBHUGR-IUODEOHRSA-N 2 2 232.371 2.084 20 0 BEADLP C[NH+]1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000037117267 343334713 /nfs/dbraw/zinc/33/47/13/343334713.db2.gz CACGLFUGIGEFME-CQSZACIVSA-N 2 2 246.354 2.194 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000070562759 343334982 /nfs/dbraw/zinc/33/49/82/343334982.db2.gz XYTVCYDNJUOPMY-JHJVBQTASA-N 2 2 212.381 2.495 20 0 BEADLP Fc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000335643620 136303967 /nfs/dbraw/zinc/30/39/67/136303967.db2.gz QWACNYTTWBRVNE-CYBMUJFWSA-N 2 2 222.307 2.057 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(C)s1 ZINC000037505227 343347760 /nfs/dbraw/zinc/34/77/60/343347760.db2.gz JOKSHWKPRLKMEA-UHFFFAOYSA-N 2 2 241.404 2.273 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668172616 488213933 /nfs/dbraw/zinc/21/39/33/488213933.db2.gz QSTABGHDSSTBKN-CMPLNLGQSA-N 2 2 221.348 2.491 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668172616 488213936 /nfs/dbraw/zinc/21/39/36/488213936.db2.gz QSTABGHDSSTBKN-CMPLNLGQSA-N 2 2 221.348 2.491 20 0 BEADLP Cc1cccc(N2CC[C@@H](c3[nH+]ccn3C)C2)[nH+]1 ZINC000335721479 136346367 /nfs/dbraw/zinc/34/63/67/136346367.db2.gz YWPDFURXIDIPIV-GFCCVEGCSA-N 2 2 242.326 2.117 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000350480753 136361008 /nfs/dbraw/zinc/36/10/08/136361008.db2.gz PXBHVJBBTISCEQ-HUBLWGQQSA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000350480753 136361009 /nfs/dbraw/zinc/36/10/09/136361009.db2.gz PXBHVJBBTISCEQ-HUBLWGQQSA-N 2 2 245.370 2.215 20 0 BEADLP COC1CC([NH2+]Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000350504785 136361820 /nfs/dbraw/zinc/36/18/20/136361820.db2.gz CDSQYRFBYLNBMK-UHFFFAOYSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000042545782 343442997 /nfs/dbraw/zinc/44/29/97/343442997.db2.gz DCLJEIVFQVRKKP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000042545782 343443000 /nfs/dbraw/zinc/44/30/00/343443000.db2.gz DCLJEIVFQVRKKP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@]2(C)CCCOC2)c[nH+]1 ZINC000354593449 178531739 /nfs/dbraw/zinc/53/17/39/178531739.db2.gz AMVJWCNZWOKTRS-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000335655646 136376115 /nfs/dbraw/zinc/37/61/15/136376115.db2.gz FYWXYNRPZZPDEO-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000335655646 136376116 /nfs/dbraw/zinc/37/61/16/136376116.db2.gz FYWXYNRPZZPDEO-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccco2)CC1(C)C ZINC000084497158 488221826 /nfs/dbraw/zinc/22/18/26/488221826.db2.gz NKLJKJPKUMYVHT-LLVKDONJSA-N 2 2 222.332 2.242 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccco2)CC1(C)C ZINC000084497158 488221830 /nfs/dbraw/zinc/22/18/30/488221830.db2.gz NKLJKJPKUMYVHT-LLVKDONJSA-N 2 2 222.332 2.242 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958379 365764233 /nfs/dbraw/zinc/76/42/33/365764233.db2.gz GODSGZHAAVXPRL-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958379 365764237 /nfs/dbraw/zinc/76/42/37/365764237.db2.gz GODSGZHAAVXPRL-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1F ZINC000049553846 343602340 /nfs/dbraw/zinc/60/23/40/343602340.db2.gz IYSQPQLEYOPEJW-JTQLQIEISA-N 2 2 242.313 2.395 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(F)c1F ZINC000049557405 343602747 /nfs/dbraw/zinc/60/27/47/343602747.db2.gz YDHLYBDSNFLREO-JTQLQIEISA-N 2 2 242.313 2.395 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)C(F)F ZINC000624272264 343640287 /nfs/dbraw/zinc/64/02/87/343640287.db2.gz AIAWOFHSSRWEJB-ZJUUUORDSA-N 2 2 234.334 2.350 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)C(F)F ZINC000624272264 343640289 /nfs/dbraw/zinc/64/02/89/343640289.db2.gz AIAWOFHSSRWEJB-ZJUUUORDSA-N 2 2 234.334 2.350 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)nc1 ZINC000336542019 178568678 /nfs/dbraw/zinc/56/86/78/178568678.db2.gz DCBLUDXCQIWXQM-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)nc1 ZINC000336542019 178568680 /nfs/dbraw/zinc/56/86/80/178568680.db2.gz DCBLUDXCQIWXQM-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CC1 ZINC000584183393 343770751 /nfs/dbraw/zinc/77/07/51/343770751.db2.gz HKFTVLPKXZIJQP-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336653685 537819354 /nfs/dbraw/zinc/81/93/54/537819354.db2.gz GGQKTSQUXLFGTH-JHJVBQTASA-N 2 2 221.348 2.296 20 0 BEADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336699671 537824820 /nfs/dbraw/zinc/82/48/20/537824820.db2.gz ZVWVJTZOYXHJIK-MRVWCRGKSA-N 2 2 220.360 2.001 20 0 BEADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336699671 537824835 /nfs/dbraw/zinc/82/48/35/537824835.db2.gz ZVWVJTZOYXHJIK-MRVWCRGKSA-N 2 2 220.360 2.001 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000336754528 537837395 /nfs/dbraw/zinc/83/73/95/537837395.db2.gz IGXIBTQBEJMFPZ-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000634732355 344107113 /nfs/dbraw/zinc/10/71/13/344107113.db2.gz DNSGYRIDJDLTNC-SNVBAGLBSA-N 2 2 239.388 2.011 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000083389800 344175483 /nfs/dbraw/zinc/17/54/83/344175483.db2.gz SSHNDDOPBFBFMU-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000083389800 344175486 /nfs/dbraw/zinc/17/54/86/344175486.db2.gz SSHNDDOPBFBFMU-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336748715 537842198 /nfs/dbraw/zinc/84/21/98/537842198.db2.gz DOJZZCHRIYYPAE-STQMWFEESA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336748715 537842205 /nfs/dbraw/zinc/84/22/05/537842205.db2.gz DOJZZCHRIYYPAE-STQMWFEESA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cnc2ccccc2c1 ZINC000385066254 344314155 /nfs/dbraw/zinc/31/41/55/344314155.db2.gz GQYYELGVECCJTM-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000385066254 344314157 /nfs/dbraw/zinc/31/41/57/344314157.db2.gz GQYYELGVECCJTM-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070500 344317658 /nfs/dbraw/zinc/31/76/58/344317658.db2.gz DBBHJVJOEWBCTK-NHYWBVRUSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070500 344317661 /nfs/dbraw/zinc/31/76/61/344317661.db2.gz DBBHJVJOEWBCTK-NHYWBVRUSA-N 2 2 230.355 2.097 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000672550872 488258781 /nfs/dbraw/zinc/25/87/81/488258781.db2.gz NUHIBOMIGSGYGY-CYBMUJFWSA-N 2 2 240.391 2.018 20 0 BEADLP CCCCOc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000107290801 347046137 /nfs/dbraw/zinc/04/61/37/347046137.db2.gz YDDJFXGZHRMXFD-UHFFFAOYSA-N 2 2 236.359 2.256 20 0 BEADLP CCCCOc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000107290801 347046139 /nfs/dbraw/zinc/04/61/39/347046139.db2.gz YDDJFXGZHRMXFD-UHFFFAOYSA-N 2 2 236.359 2.256 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000672550872 488258784 /nfs/dbraw/zinc/25/87/84/488258784.db2.gz NUHIBOMIGSGYGY-CYBMUJFWSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](Nc1cc[nH+]cc1F)C(C)(C)C[NH+](C)C ZINC000641393406 362390523 /nfs/dbraw/zinc/39/05/23/362390523.db2.gz HPQVPTQDHNCWOQ-JTQLQIEISA-N 2 2 239.338 2.031 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000385215353 344377389 /nfs/dbraw/zinc/37/73/89/344377389.db2.gz ZKHQIIHGFKFPFH-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000385215353 344377392 /nfs/dbraw/zinc/37/73/92/344377392.db2.gz ZKHQIIHGFKFPFH-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP CC[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000584299295 344438157 /nfs/dbraw/zinc/43/81/57/344438157.db2.gz FSNNZWNDLNLVHH-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP CC[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000584299295 344438158 /nfs/dbraw/zinc/43/81/58/344438158.db2.gz FSNNZWNDLNLVHH-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309951537 344478723 /nfs/dbraw/zinc/47/87/23/344478723.db2.gz GHYOZUFJFCTCBJ-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309951537 344478724 /nfs/dbraw/zinc/47/87/24/344478724.db2.gz GHYOZUFJFCTCBJ-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc2ccccc21 ZINC000037267985 344496974 /nfs/dbraw/zinc/49/69/74/344496974.db2.gz XLARSAWVTCLWPN-UHFFFAOYSA-N 2 2 214.312 2.230 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc2ccccc21 ZINC000037267985 344496976 /nfs/dbraw/zinc/49/69/76/344496976.db2.gz XLARSAWVTCLWPN-UHFFFAOYSA-N 2 2 214.312 2.230 20 0 BEADLP Cc1ccsc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540061 344543053 /nfs/dbraw/zinc/54/30/53/344543053.db2.gz KXRSCXFPHQGAGL-LLVKDONJSA-N 2 2 224.373 2.370 20 0 BEADLP Cc1ccsc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540061 344543054 /nfs/dbraw/zinc/54/30/54/344543054.db2.gz KXRSCXFPHQGAGL-LLVKDONJSA-N 2 2 224.373 2.370 20 0 BEADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451568 362425975 /nfs/dbraw/zinc/42/59/75/362425975.db2.gz YYMZIARMLZVRFL-WCQYABFASA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451568 362425978 /nfs/dbraw/zinc/42/59/78/362425978.db2.gz YYMZIARMLZVRFL-WCQYABFASA-N 2 2 249.333 2.141 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCC(C)(C)C ZINC000049235073 344600808 /nfs/dbraw/zinc/60/08/08/344600808.db2.gz AFOSLJLBMMWWFF-LLVKDONJSA-N 2 2 209.337 2.297 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccco1 ZINC000049553143 344652757 /nfs/dbraw/zinc/65/27/57/344652757.db2.gz KVLZYGFYYXUVPA-QWRGUYRKSA-N 2 2 210.321 2.270 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(C)n1 ZINC000078257778 344839462 /nfs/dbraw/zinc/83/94/62/344839462.db2.gz UVVYZSOSVSQECX-ZDUSSCGKSA-N 2 2 248.374 2.461 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CCNc1cc[nH+]c(C)n1 ZINC000078257778 344839465 /nfs/dbraw/zinc/83/94/65/344839465.db2.gz UVVYZSOSVSQECX-ZDUSSCGKSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1scc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000631089647 344896162 /nfs/dbraw/zinc/89/61/62/344896162.db2.gz XCNVRTSAAPMTOD-ZANVPECISA-N 2 2 238.400 2.405 20 0 BEADLP Cc1scc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000631089647 344896163 /nfs/dbraw/zinc/89/61/63/344896163.db2.gz XCNVRTSAAPMTOD-ZANVPECISA-N 2 2 238.400 2.405 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)nc2)C1 ZINC000153978902 345004105 /nfs/dbraw/zinc/00/41/05/345004105.db2.gz OMBAKVXEJOHXBD-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)nc2)C1 ZINC000153978902 345004108 /nfs/dbraw/zinc/00/41/08/345004108.db2.gz OMBAKVXEJOHXBD-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)nc2)C1 ZINC000153978902 345004109 /nfs/dbraw/zinc/00/41/09/345004109.db2.gz OMBAKVXEJOHXBD-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000153978902 345004113 /nfs/dbraw/zinc/00/41/13/345004113.db2.gz OMBAKVXEJOHXBD-HNNXBMFYSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000385605731 345004202 /nfs/dbraw/zinc/00/42/02/345004202.db2.gz MNIUDVPXAMYCLD-CHWSQXEVSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000385605731 345004204 /nfs/dbraw/zinc/00/42/04/345004204.db2.gz MNIUDVPXAMYCLD-CHWSQXEVSA-N 2 2 249.358 2.008 20 0 BEADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1F ZINC000641591349 362533835 /nfs/dbraw/zinc/53/38/35/362533835.db2.gz ATUZWTLQRAJJHD-VXGBXAGGSA-N 2 2 249.333 2.284 20 0 BEADLP CC[C@@H]1CCCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993403 345190236 /nfs/dbraw/zinc/19/02/36/345190236.db2.gz TVTIYYIQZWLOKP-ROKHWSDSSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@@H]1CCCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993403 345190237 /nfs/dbraw/zinc/19/02/37/345190237.db2.gz TVTIYYIQZWLOKP-ROKHWSDSSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]1CCC[C@H]([N@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991396 345176703 /nfs/dbraw/zinc/17/67/03/345176703.db2.gz CEISFOVFJKZGMU-AHPWVWPOSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[C@H]([N@@H+](C)CC23CC(C2)C[NH2+]3)C1 ZINC000634991396 345176707 /nfs/dbraw/zinc/17/67/07/345176707.db2.gz CEISFOVFJKZGMU-AHPWVWPOSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1c2ccsc2CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991767 345178553 /nfs/dbraw/zinc/17/85/53/345178553.db2.gz QWISUXUJONDFBG-CDWSIMAYSA-N 2 2 248.395 2.419 20 0 BEADLP C[C@@H]1c2ccsc2CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634991767 345178554 /nfs/dbraw/zinc/17/85/54/345178554.db2.gz QWISUXUJONDFBG-CDWSIMAYSA-N 2 2 248.395 2.419 20 0 BEADLP CC[N@H+](Cc1cccs1)CC12CC(C1)C[NH2+]2 ZINC000634991876 345179250 /nfs/dbraw/zinc/17/92/50/345179250.db2.gz VCGNRLMSAAPLBM-UHFFFAOYSA-N 2 2 236.384 2.322 20 0 BEADLP CC[N@@H+](Cc1cccs1)CC12CC(C1)C[NH2+]2 ZINC000634991876 345179252 /nfs/dbraw/zinc/17/92/52/345179252.db2.gz VCGNRLMSAAPLBM-UHFFFAOYSA-N 2 2 236.384 2.322 20 0 BEADLP C[C@H](C1CC1)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992177 345179924 /nfs/dbraw/zinc/17/99/24/345179924.db2.gz GZVBBXIGKJSYPY-CDWSIMAYSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H](C1CC1)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992177 345179925 /nfs/dbraw/zinc/17/99/25/345179925.db2.gz GZVBBXIGKJSYPY-CDWSIMAYSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]1c2ccccc2CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992660 345181089 /nfs/dbraw/zinc/18/10/89/345181089.db2.gz XAZFOCFZZGLMEL-FUJMWEONSA-N 2 2 242.366 2.358 20 0 BEADLP C[C@H]1c2ccccc2CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992660 345181091 /nfs/dbraw/zinc/18/10/91/345181091.db2.gz XAZFOCFZZGLMEL-FUJMWEONSA-N 2 2 242.366 2.358 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992898 345188058 /nfs/dbraw/zinc/18/80/58/345188058.db2.gz FJNCTIAMIQHXCL-MRFVTOPCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992898 345188062 /nfs/dbraw/zinc/18/80/62/345188062.db2.gz FJNCTIAMIQHXCL-MRFVTOPCSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994151 345192664 /nfs/dbraw/zinc/19/26/64/345192664.db2.gz SKWSEPVVSSJRSN-MOKVOYLWSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994151 345192667 /nfs/dbraw/zinc/19/26/67/345192667.db2.gz SKWSEPVVSSJRSN-MOKVOYLWSA-N 2 2 222.376 2.106 20 0 BEADLP FC(F)(F)C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994249 345192850 /nfs/dbraw/zinc/19/28/50/345192850.db2.gz WVTDSHZLWABNFU-WHXUTIOJSA-N 2 2 248.292 2.013 20 0 BEADLP FC(F)(F)C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994249 345192851 /nfs/dbraw/zinc/19/28/51/345192851.db2.gz WVTDSHZLWABNFU-WHXUTIOJSA-N 2 2 248.292 2.013 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000635006379 345210853 /nfs/dbraw/zinc/21/08/53/345210853.db2.gz MIZMFEXBYKPZIC-FXPVBKGRSA-N 2 2 239.388 2.243 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635011779 345213341 /nfs/dbraw/zinc/21/33/41/345213341.db2.gz HMUCSGKBWKLUAE-IAQYHMDHSA-N 2 2 243.354 2.256 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])o1 ZINC000635008495 345215843 /nfs/dbraw/zinc/21/58/43/345215843.db2.gz KIBDKTRYQPWGGP-OLZOCXBDSA-N 2 2 222.332 2.338 20 0 BEADLP C[C@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000158455688 345335012 /nfs/dbraw/zinc/33/50/12/345335012.db2.gz JOONQVGJBPSPPZ-QWRGUYRKSA-N 2 2 244.342 2.458 20 0 BEADLP C[C@H]1C[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000158455688 345335015 /nfs/dbraw/zinc/33/50/15/345335015.db2.gz JOONQVGJBPSPPZ-QWRGUYRKSA-N 2 2 244.342 2.458 20 0 BEADLP CCc1cc(NC(C)(C)c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000641662974 362586802 /nfs/dbraw/zinc/58/68/02/362586802.db2.gz LACPFKSFCVCQCV-UHFFFAOYSA-N 2 2 245.330 2.418 20 0 BEADLP Cn1cccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073831 345615622 /nfs/dbraw/zinc/61/56/22/345615622.db2.gz FSPTUFQPQBNHBD-LBPRGKRZSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1cccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073831 345615623 /nfs/dbraw/zinc/61/56/23/345615623.db2.gz FSPTUFQPQBNHBD-LBPRGKRZSA-N 2 2 244.342 2.128 20 0 BEADLP c1coc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865683 345666752 /nfs/dbraw/zinc/66/67/52/345666752.db2.gz HWQKVGXHPSACBX-AWEZNQCLSA-N 2 2 244.294 2.328 20 0 BEADLP c1coc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865683 345666753 /nfs/dbraw/zinc/66/67/53/345666753.db2.gz HWQKVGXHPSACBX-AWEZNQCLSA-N 2 2 244.294 2.328 20 0 BEADLP Cc1nc(C)c(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000628207968 345783077 /nfs/dbraw/zinc/78/30/77/345783077.db2.gz SJCXQZWNSDPSPY-UHFFFAOYSA-N 2 2 248.330 2.058 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166877873 345925181 /nfs/dbraw/zinc/92/51/81/345925181.db2.gz XRUDINQYLIRQCG-NWDGAFQWSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166877873 345925184 /nfs/dbraw/zinc/92/51/84/345925184.db2.gz XRUDINQYLIRQCG-NWDGAFQWSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ccsc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313309655 537953320 /nfs/dbraw/zinc/95/33/20/537953320.db2.gz VRLTZSRIVDAKIB-UHFFFAOYSA-N 2 2 235.356 2.122 20 0 BEADLP c1nc(C2CC2)oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000628232646 346185454 /nfs/dbraw/zinc/18/54/54/346185454.db2.gz HWFQPSZSTCZZIU-UHFFFAOYSA-N 2 2 249.358 2.128 20 0 BEADLP CCC1([NH+](C)C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000631477818 346229758 /nfs/dbraw/zinc/22/97/58/346229758.db2.gz UDYSTAPMVRAAPF-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000158512340 179033253 /nfs/dbraw/zinc/03/32/53/179033253.db2.gz GAZJMTWWMQDTLQ-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000158512340 179033255 /nfs/dbraw/zinc/03/32/55/179033255.db2.gz GAZJMTWWMQDTLQ-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000238508475 179036885 /nfs/dbraw/zinc/03/68/85/179036885.db2.gz CNOQIAGAAIFGMY-ZDUSSCGKSA-N 2 2 218.344 2.145 20 0 BEADLP C[C@H](C[NH2+]Cc1nc2ccccc2o1)C[NH+](C)C ZINC000641757221 362685470 /nfs/dbraw/zinc/68/54/70/362685470.db2.gz VZLDFGJMNZWYDO-LLVKDONJSA-N 2 2 247.342 2.115 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000334175553 346438449 /nfs/dbraw/zinc/43/84/49/346438449.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000334175553 346438452 /nfs/dbraw/zinc/43/84/52/346438452.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)nc1 ZINC000334175553 346438455 /nfs/dbraw/zinc/43/84/55/346438455.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)nc1 ZINC000334175553 346438457 /nfs/dbraw/zinc/43/84/57/346438457.db2.gz CJKZYYYVKLFKEJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP CCC(F)(F)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000641797543 362742528 /nfs/dbraw/zinc/74/25/28/362742528.db2.gz FGJKENHHEOIBML-UHFFFAOYSA-N 2 2 234.334 2.353 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000641798330 362744433 /nfs/dbraw/zinc/74/44/33/362744433.db2.gz FTONQIUYQNHAQN-AXFHLTTASA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000641798330 362744436 /nfs/dbraw/zinc/74/44/36/362744436.db2.gz FTONQIUYQNHAQN-AXFHLTTASA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641799811 362749804 /nfs/dbraw/zinc/74/98/04/362749804.db2.gz ZYLJXXZXRQDIME-GARJFASQSA-N 2 2 232.318 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641799811 362749807 /nfs/dbraw/zinc/74/98/07/362749807.db2.gz ZYLJXXZXRQDIME-GARJFASQSA-N 2 2 232.318 2.091 20 0 BEADLP CCc1nc(C)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)o1 ZINC000641800535 362752053 /nfs/dbraw/zinc/75/20/53/362752053.db2.gz ZACKHVUNLQNMIH-NSHDSACASA-N 2 2 239.363 2.008 20 0 BEADLP C[C@H]1C[NH+](CC[NH2+]C(C)(C)C)C[C@H](C)S1 ZINC000069909105 349968025 /nfs/dbraw/zinc/96/80/25/349968025.db2.gz MXYAPULYZMZGNN-QWRGUYRKSA-N 2 2 230.421 2.200 20 0 BEADLP FC(F)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000580049269 346495716 /nfs/dbraw/zinc/49/57/16/346495716.db2.gz SUVVOPVUGRFYBV-LBPRGKRZSA-N 2 2 240.297 2.466 20 0 BEADLP Cc1cncc(C[N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803390 362760198 /nfs/dbraw/zinc/76/01/98/362760198.db2.gz CMAWHYDMPVSZNS-IPYPFGDCSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cncc(C[N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])c1 ZINC000641803390 362760203 /nfs/dbraw/zinc/76/02/03/362760203.db2.gz CMAWHYDMPVSZNS-IPYPFGDCSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ncccc1C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809494 362765978 /nfs/dbraw/zinc/76/59/78/362765978.db2.gz QRXSWCIHEBFFKW-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ncccc1C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809494 362765983 /nfs/dbraw/zinc/76/59/83/362765983.db2.gz QRXSWCIHEBFFKW-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccnc2)[C@H]1C ZINC000641807529 362766186 /nfs/dbraw/zinc/76/61/86/362766186.db2.gz KEXGLZOSCPLNSZ-DYEKYZERSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccnc2)[C@H]1C ZINC000641807529 362766190 /nfs/dbraw/zinc/76/61/90/362766190.db2.gz KEXGLZOSCPLNSZ-DYEKYZERSA-N 2 2 233.359 2.029 20 0 BEADLP Cc1ncccc1C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809495 362766555 /nfs/dbraw/zinc/76/65/55/362766555.db2.gz QRXSWCIHEBFFKW-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ncccc1C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809495 362766560 /nfs/dbraw/zinc/76/65/60/362766560.db2.gz QRXSWCIHEBFFKW-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000580108488 346533749 /nfs/dbraw/zinc/53/37/49/346533749.db2.gz NLETYBDNQISGIN-UNQGMJICSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000580108488 346533750 /nfs/dbraw/zinc/53/37/50/346533750.db2.gz NLETYBDNQISGIN-UNQGMJICSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000580153519 346566846 /nfs/dbraw/zinc/56/68/46/346566846.db2.gz QOTUHKJXHULFGK-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580153519 346566850 /nfs/dbraw/zinc/56/68/50/346566850.db2.gz QOTUHKJXHULFGK-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000580153520 346567166 /nfs/dbraw/zinc/56/71/66/346567166.db2.gz QOTUHKJXHULFGK-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000580153520 346567169 /nfs/dbraw/zinc/56/71/69/346567169.db2.gz QOTUHKJXHULFGK-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580211793 346684828 /nfs/dbraw/zinc/68/48/28/346684828.db2.gz JRYRTROLTPEAIO-GHMZBOCLSA-N 2 2 207.321 2.008 20 0 BEADLP CC[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580211793 346684833 /nfs/dbraw/zinc/68/48/33/346684833.db2.gz JRYRTROLTPEAIO-GHMZBOCLSA-N 2 2 207.321 2.008 20 0 BEADLP Cc1cccc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]1 ZINC000336545491 179157438 /nfs/dbraw/zinc/15/74/38/179157438.db2.gz HHDYUAWRIJRUBW-NSHDSACASA-N 2 2 228.299 2.013 20 0 BEADLP Cc1cccc(OCC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044557633 179166320 /nfs/dbraw/zinc/16/63/20/179166320.db2.gz HRYWMEIAGQGGDT-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1cccc(OCC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044557633 179166321 /nfs/dbraw/zinc/16/63/21/179166321.db2.gz HRYWMEIAGQGGDT-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688378 346806299 /nfs/dbraw/zinc/80/62/99/346806299.db2.gz GQIUXJHTFIUHML-IGQOVBAYSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688378 346806300 /nfs/dbraw/zinc/80/63/00/346806300.db2.gz GQIUXJHTFIUHML-IGQOVBAYSA-N 2 2 222.376 2.106 20 0 BEADLP CC1=CC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000309764264 347156680 /nfs/dbraw/zinc/15/66/80/347156680.db2.gz JHGJZBGDKPPGHU-ZDUSSCGKSA-N 2 2 219.332 2.362 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000582062635 347159940 /nfs/dbraw/zinc/15/99/40/347159940.db2.gz SHHKDBJHBWNCOG-RNFRBKRXSA-N 2 2 233.768 2.012 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000622005674 370657591 /nfs/dbraw/zinc/65/75/91/370657591.db2.gz JKQTXZDTPHXOPA-RYUDHWBXSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000622005674 370657598 /nfs/dbraw/zinc/65/75/98/370657598.db2.gz JKQTXZDTPHXOPA-RYUDHWBXSA-N 2 2 222.357 2.061 20 0 BEADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041046880 179180219 /nfs/dbraw/zinc/18/02/19/179180219.db2.gz JCYOGLULNHMTGV-OCCSQVGLSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041046880 179180221 /nfs/dbraw/zinc/18/02/21/179180221.db2.gz JCYOGLULNHMTGV-OCCSQVGLSA-N 2 2 218.344 2.479 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000380259009 347232737 /nfs/dbraw/zinc/23/27/37/347232737.db2.gz QZMOJELHYTUKJA-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000380259009 347232738 /nfs/dbraw/zinc/23/27/38/347232738.db2.gz QZMOJELHYTUKJA-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC000380259010 347232819 /nfs/dbraw/zinc/23/28/19/347232819.db2.gz QZMOJELHYTUKJA-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC000380259010 347232820 /nfs/dbraw/zinc/23/28/20/347232820.db2.gz QZMOJELHYTUKJA-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000624148833 347277138 /nfs/dbraw/zinc/27/71/38/347277138.db2.gz OZTQQIXSXJNNJE-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000624148833 347277139 /nfs/dbraw/zinc/27/71/39/347277139.db2.gz OZTQQIXSXJNNJE-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccco1 ZINC000382576414 347366723 /nfs/dbraw/zinc/36/67/23/347366723.db2.gz FWRNMVIAKMFUPP-SNVBAGLBSA-N 2 2 208.305 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@]2(C)CCOC2)c[nH+]1 ZINC000354352453 187374382 /nfs/dbraw/zinc/37/43/82/187374382.db2.gz POWVEVXUIONSMW-HNNXBMFYSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000020226756 347430616 /nfs/dbraw/zinc/43/06/16/347430616.db2.gz KENOZOXJYUQORR-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000020226756 347430620 /nfs/dbraw/zinc/43/06/20/347430620.db2.gz KENOZOXJYUQORR-VIFPVBQESA-N 2 2 212.724 2.119 20 0 BEADLP Cc1ccccc1CC[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000076679565 179267864 /nfs/dbraw/zinc/26/78/64/179267864.db2.gz HFGDCEYSBGIDGF-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccccc1CC[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000076679565 179267865 /nfs/dbraw/zinc/26/78/65/179267865.db2.gz HFGDCEYSBGIDGF-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccccc1C[NH2+]CC[NH2+]C(C)(C)C ZINC000161457966 179281686 /nfs/dbraw/zinc/28/16/86/179281686.db2.gz IQOKMHYRHYBRSR-UHFFFAOYSA-N 2 2 220.360 2.473 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)c[nH+]1 ZINC000591866540 347707283 /nfs/dbraw/zinc/70/72/83/347707283.db2.gz BREIFWRWKAQJID-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](Cc3ccccn3)C2)c[nH+]1 ZINC000591866540 347707286 /nfs/dbraw/zinc/70/72/86/347707286.db2.gz BREIFWRWKAQJID-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000346089781 179309930 /nfs/dbraw/zinc/30/99/30/179309930.db2.gz WTJHVUHHEDMQMA-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000346089781 179309931 /nfs/dbraw/zinc/30/99/31/179309931.db2.gz WTJHVUHHEDMQMA-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000050226762 488366428 /nfs/dbraw/zinc/36/64/28/488366428.db2.gz NQXGBTYMJUDDRF-LLVKDONJSA-N 2 2 224.373 2.288 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054241416 1172097189 /nfs/dbraw/zinc/09/71/89/1172097189.db2.gz YSAUIXNSOODLHC-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054241416 1172097198 /nfs/dbraw/zinc/09/71/98/1172097198.db2.gz YSAUIXNSOODLHC-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1C ZINC000038087054 348047901 /nfs/dbraw/zinc/04/79/01/348047901.db2.gz ZFIWIOPEFIYZHE-UHFFFAOYSA-N 2 2 218.344 2.099 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1C ZINC000038087054 348047905 /nfs/dbraw/zinc/04/79/05/348047905.db2.gz ZFIWIOPEFIYZHE-UHFFFAOYSA-N 2 2 218.344 2.099 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304490073 187387719 /nfs/dbraw/zinc/38/77/19/187387719.db2.gz BSHMZEDMYZXZCZ-BFHYXJOUSA-N 2 2 222.376 2.251 20 0 BEADLP CSCC1(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000594963601 348146061 /nfs/dbraw/zinc/14/60/61/348146061.db2.gz RWULWNYIQQEDSV-RYUDHWBXSA-N 2 2 242.432 2.059 20 0 BEADLP CSCC1(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000594963601 348146062 /nfs/dbraw/zinc/14/60/62/348146062.db2.gz RWULWNYIQQEDSV-RYUDHWBXSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CSCCF ZINC000595003849 348169280 /nfs/dbraw/zinc/16/92/80/348169280.db2.gz LLPLUYRWPRODFM-RYUDHWBXSA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CSCCF ZINC000595003849 348169281 /nfs/dbraw/zinc/16/92/81/348169281.db2.gz LLPLUYRWPRODFM-RYUDHWBXSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000595014182 348186083 /nfs/dbraw/zinc/18/60/83/348186083.db2.gz UHMUBCUNPHBPHQ-VXGBXAGGSA-N 2 2 248.411 2.009 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000595014182 348186084 /nfs/dbraw/zinc/18/60/84/348186084.db2.gz UHMUBCUNPHBPHQ-VXGBXAGGSA-N 2 2 248.411 2.009 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000595014181 348186193 /nfs/dbraw/zinc/18/61/93/348186193.db2.gz UHMUBCUNPHBPHQ-RYUDHWBXSA-N 2 2 248.411 2.009 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000595014181 348186195 /nfs/dbraw/zinc/18/61/95/348186195.db2.gz UHMUBCUNPHBPHQ-RYUDHWBXSA-N 2 2 248.411 2.009 20 0 BEADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336672309 187393841 /nfs/dbraw/zinc/39/38/41/187393841.db2.gz ODKNJLPGLSDVGM-NEPJUHHUSA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@](C)(C[NH2+]CCc1cc[nH+]cc1C)OC ZINC000397523038 362891204 /nfs/dbraw/zinc/89/12/04/362891204.db2.gz JZSWPRSPPWHZRV-CQSZACIVSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000397530385 362891632 /nfs/dbraw/zinc/89/16/32/362891632.db2.gz KYOIJUCJAWSLHL-CQSZACIVSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000288997565 179476408 /nfs/dbraw/zinc/47/64/08/179476408.db2.gz DSPRWBKEGQJIRC-KBPBESRZSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000288997565 179476411 /nfs/dbraw/zinc/47/64/11/179476411.db2.gz DSPRWBKEGQJIRC-KBPBESRZSA-N 2 2 248.370 2.432 20 0 BEADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764589 348600118 /nfs/dbraw/zinc/60/01/18/348600118.db2.gz ZPERAUPGOOGZOS-PWSUYJOCSA-N 2 2 207.321 2.468 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)CCCC1 ZINC000421824925 192386524 /nfs/dbraw/zinc/38/65/24/192386524.db2.gz KXXXZNSMAOYVRR-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)CCCC1 ZINC000421824925 192386527 /nfs/dbraw/zinc/38/65/27/192386527.db2.gz KXXXZNSMAOYVRR-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C(C1CC1)[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250809689 349179595 /nfs/dbraw/zinc/17/95/95/349179595.db2.gz DBZBKECQPJYAAA-OLZOCXBDSA-N 2 2 208.349 2.003 20 0 BEADLP C(C1CC1)[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250809689 349179599 /nfs/dbraw/zinc/17/95/99/349179599.db2.gz DBZBKECQPJYAAA-OLZOCXBDSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250349768 349169639 /nfs/dbraw/zinc/16/96/39/349169639.db2.gz RBVZRNSDDVFQJT-CRWXNKLISA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250349768 349169641 /nfs/dbraw/zinc/16/96/41/349169641.db2.gz RBVZRNSDDVFQJT-CRWXNKLISA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000252924711 349215509 /nfs/dbraw/zinc/21/55/09/349215509.db2.gz LPAIFLGEHJZKFH-CLLJXQQHSA-N 2 2 240.391 2.016 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000309050994 349407807 /nfs/dbraw/zinc/40/78/07/349407807.db2.gz OLXSIFMDQTZGKU-SMGNDMQFSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000309050994 349407809 /nfs/dbraw/zinc/40/78/09/349407809.db2.gz OLXSIFMDQTZGKU-SMGNDMQFSA-N 2 2 216.328 2.123 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1(C)CC1 ZINC000309120717 350036710 /nfs/dbraw/zinc/03/67/10/350036710.db2.gz NQLFJEDBWXLJHZ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC1(C)CC1 ZINC000309120717 350036713 /nfs/dbraw/zinc/03/67/13/350036713.db2.gz NQLFJEDBWXLJHZ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cncs1 ZINC000131924573 191018858 /nfs/dbraw/zinc/01/88/58/191018858.db2.gz AZHQLEJGACRNMY-SNVBAGLBSA-N 2 2 236.344 2.081 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cs1 ZINC000293705262 180038390 /nfs/dbraw/zinc/03/83/90/180038390.db2.gz OSKOEUOYODKBNQ-VHSXEESVSA-N 2 2 241.404 2.300 20 0 BEADLP CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422731713 192445970 /nfs/dbraw/zinc/44/59/70/192445970.db2.gz OBTFBJUTGVNFSH-LSDHHAIUSA-N 2 2 248.370 2.488 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000132196182 191028312 /nfs/dbraw/zinc/02/83/12/191028312.db2.gz KXHWHGHGDWIPCA-GRYCIOLGSA-N 2 2 210.365 2.246 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132196182 191028315 /nfs/dbraw/zinc/02/83/15/191028315.db2.gz KXHWHGHGDWIPCA-GRYCIOLGSA-N 2 2 210.365 2.246 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)C(C)(C)C ZINC000133295953 191039357 /nfs/dbraw/zinc/03/93/57/191039357.db2.gz JXOMWDDEJOFNLQ-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP Cc1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000063196313 180144111 /nfs/dbraw/zinc/14/41/11/180144111.db2.gz LNWPUJVNDLVFJM-SKDRFNHKSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])s1 ZINC000063196313 180144114 /nfs/dbraw/zinc/14/41/14/180144114.db2.gz LNWPUJVNDLVFJM-SKDRFNHKSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000227375105 180159211 /nfs/dbraw/zinc/15/92/11/180159211.db2.gz JHGWWOMRUAEPCI-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000227375105 180159212 /nfs/dbraw/zinc/15/92/12/180159212.db2.gz JHGWWOMRUAEPCI-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(NCCCNc2cccc[nH+]2)cc[nH+]1 ZINC000266455135 180199150 /nfs/dbraw/zinc/19/91/50/180199150.db2.gz XXITWJPCKYHPQB-UHFFFAOYSA-N 2 2 243.314 2.094 20 0 BEADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266190674 180200262 /nfs/dbraw/zinc/20/02/62/180200262.db2.gz BTMHVRGPQNQWKH-VXGBXAGGSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266190674 180200265 /nfs/dbraw/zinc/20/02/65/180200265.db2.gz BTMHVRGPQNQWKH-VXGBXAGGSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@H](C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000054936010 180200943 /nfs/dbraw/zinc/20/09/43/180200943.db2.gz YNAQXSQFLGYKCZ-LBPRGKRZSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1nc(N[C@H](C[NH3+])C2CCCCC2)cc[nH+]1 ZINC000130842256 180204955 /nfs/dbraw/zinc/20/49/55/180204955.db2.gz NRAQBFQTDXEQLS-GFCCVEGCSA-N 2 2 234.347 2.105 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000252101787 538072759 /nfs/dbraw/zinc/07/27/59/538072759.db2.gz ILPMNIHYDYQXDZ-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000252101787 538072764 /nfs/dbraw/zinc/07/27/64/538072764.db2.gz ILPMNIHYDYQXDZ-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccon1 ZINC000336697294 180231955 /nfs/dbraw/zinc/23/19/55/180231955.db2.gz FOECMGKAQZCEGP-UHFFFAOYSA-N 2 2 248.330 2.092 20 0 BEADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccon1 ZINC000336697294 180231958 /nfs/dbraw/zinc/23/19/58/180231958.db2.gz FOECMGKAQZCEGP-UHFFFAOYSA-N 2 2 248.330 2.092 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000336346078 180255582 /nfs/dbraw/zinc/25/55/82/180255582.db2.gz RIIXHZRVRBXVNE-QWHCGFSZSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000336346078 180255583 /nfs/dbraw/zinc/25/55/83/180255583.db2.gz RIIXHZRVRBXVNE-QWHCGFSZSA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000336554994 180256958 /nfs/dbraw/zinc/25/69/58/180256958.db2.gz ZAHXYRCKKVRYHE-GHMZBOCLSA-N 2 2 239.388 2.017 20 0 BEADLP CC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336646611 350415823 /nfs/dbraw/zinc/41/58/23/350415823.db2.gz KVAZFMZDCVHYOT-GFCCVEGCSA-N 2 2 207.321 2.066 20 0 BEADLP CC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000336646611 350415824 /nfs/dbraw/zinc/41/58/24/350415824.db2.gz KVAZFMZDCVHYOT-GFCCVEGCSA-N 2 2 207.321 2.066 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000309360445 323345049 /nfs/dbraw/zinc/34/50/49/323345049.db2.gz AKTPZPUUMHDKLY-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000309360445 323345054 /nfs/dbraw/zinc/34/50/54/323345054.db2.gz AKTPZPUUMHDKLY-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)C(C)C ZINC000163399088 350518072 /nfs/dbraw/zinc/51/80/72/350518072.db2.gz HZGMNTUWXQUORK-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)C(C)C ZINC000163399088 350518074 /nfs/dbraw/zinc/51/80/74/350518074.db2.gz HZGMNTUWXQUORK-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000158794164 191106468 /nfs/dbraw/zinc/10/64/68/191106468.db2.gz ZHBBZLIKYBDNKR-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000158794164 191106470 /nfs/dbraw/zinc/10/64/70/191106470.db2.gz ZHBBZLIKYBDNKR-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000163419188 350520988 /nfs/dbraw/zinc/52/09/88/350520988.db2.gz JZINZQZRHDMTCI-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000163419188 350520991 /nfs/dbraw/zinc/52/09/91/350520991.db2.gz JZINZQZRHDMTCI-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP CC1(C)CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070629010 350553093 /nfs/dbraw/zinc/55/30/93/350553093.db2.gz JYVRZRATQJIZGZ-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC000238855701 350775691 /nfs/dbraw/zinc/77/56/91/350775691.db2.gz SSHNDDOPBFBFMU-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC000238855701 350775692 /nfs/dbraw/zinc/77/56/92/350775692.db2.gz SSHNDDOPBFBFMU-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1nocc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000339209244 180505612 /nfs/dbraw/zinc/50/56/12/180505612.db2.gz KRBCBNNOZJNPCV-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250234833 350878374 /nfs/dbraw/zinc/87/83/74/350878374.db2.gz GPUBIGUXCZIKMP-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250234833 350878376 /nfs/dbraw/zinc/87/83/76/350878376.db2.gz GPUBIGUXCZIKMP-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)C[NH+](C)C ZINC000300924697 187473144 /nfs/dbraw/zinc/47/31/44/187473144.db2.gz NEBCIIYKONLYLI-VXGBXAGGSA-N 2 2 200.370 2.208 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336699841 351043695 /nfs/dbraw/zinc/04/36/95/351043695.db2.gz OZTBTUAXFIPDEU-YVECIDJPSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336699841 351043698 /nfs/dbraw/zinc/04/36/98/351043698.db2.gz OZTBTUAXFIPDEU-YVECIDJPSA-N 2 2 210.365 2.105 20 0 BEADLP C/C=C/C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000623739801 351049255 /nfs/dbraw/zinc/04/92/55/351049255.db2.gz HBZHYJHBTVMBAH-NSCUHMNNSA-N 2 2 245.370 2.212 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000052921809 351077662 /nfs/dbraw/zinc/07/76/62/351077662.db2.gz JZJWKMXHLURXIZ-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCCOc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000052921809 351077668 /nfs/dbraw/zinc/07/76/68/351077668.db2.gz JZJWKMXHLURXIZ-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000052920445 351077896 /nfs/dbraw/zinc/07/78/96/351077896.db2.gz GAOATSTXPOXMGV-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000052920445 351077901 /nfs/dbraw/zinc/07/79/01/351077901.db2.gz GAOATSTXPOXMGV-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336727866 351547145 /nfs/dbraw/zinc/54/71/45/351547145.db2.gz GXIBLKKTYONVOZ-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336727866 351547151 /nfs/dbraw/zinc/54/71/51/351547151.db2.gz GXIBLKKTYONVOZ-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932175 535168308 /nfs/dbraw/zinc/16/83/08/535168308.db2.gz FVFBAUXYNDASCF-UHFFFAOYSA-N 2 2 233.359 2.296 20 0 BEADLP Cc1ccc(CC[NH2+]CCn2cc[nH+]c2)cc1 ZINC000638299260 352131413 /nfs/dbraw/zinc/13/14/13/352131413.db2.gz WMFXHEJFKIOBIC-UHFFFAOYSA-N 2 2 229.327 2.024 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)[NH+]1CCCC1 ZINC000638354886 352169240 /nfs/dbraw/zinc/16/92/40/352169240.db2.gz XDVWVTDECNMPOC-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCSCC1 ZINC000638359763 352172467 /nfs/dbraw/zinc/17/24/67/352172467.db2.gz RGWDUOJSGUAXIW-LLVKDONJSA-N 2 2 239.388 2.004 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000638363135 352173023 /nfs/dbraw/zinc/17/30/23/352173023.db2.gz JCLSTRRGXNVPAN-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(F)F ZINC000638363135 352173027 /nfs/dbraw/zinc/17/30/27/352173027.db2.gz JCLSTRRGXNVPAN-UTUOFQBUSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638363510 352174068 /nfs/dbraw/zinc/17/40/68/352174068.db2.gz NOCVAHOGJBGYQX-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CCC[C@@H]1CCO1 ZINC000638363510 352174072 /nfs/dbraw/zinc/17/40/72/352174072.db2.gz NOCVAHOGJBGYQX-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)CS1 ZINC000638363512 352174220 /nfs/dbraw/zinc/17/42/20/352174220.db2.gz NPJLHXLGBMFRSX-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)CS1 ZINC000638363512 352174222 /nfs/dbraw/zinc/17/42/22/352174222.db2.gz NPJLHXLGBMFRSX-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@H]1CC1(F)F ZINC000638363924 352176341 /nfs/dbraw/zinc/17/63/41/352176341.db2.gz SXGHTMNZZQNKEP-GRYCIOLGSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@H]1CC1(F)F ZINC000638363924 352176343 /nfs/dbraw/zinc/17/63/43/352176343.db2.gz SXGHTMNZZQNKEP-GRYCIOLGSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC1(F)F ZINC000638404886 352211359 /nfs/dbraw/zinc/21/13/59/352211359.db2.gz OWWABOGWMZJSPY-MNOVXSKESA-N 2 2 243.301 2.297 20 0 BEADLP Cc1c[nH+]c(CNc2cccc(C)[nH+]2)n1C ZINC000336739730 352364482 /nfs/dbraw/zinc/36/44/82/352364482.db2.gz PJMCDQWFXQONBY-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000638582597 352413668 /nfs/dbraw/zinc/41/36/68/352413668.db2.gz RUZRYNQNHOPKCY-AWEZNQCLSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000638582597 352413671 /nfs/dbraw/zinc/41/36/71/352413671.db2.gz RUZRYNQNHOPKCY-AWEZNQCLSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)(C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000045106413 352564438 /nfs/dbraw/zinc/56/44/38/352564438.db2.gz DNFQTXAJLDYYSI-UHFFFAOYSA-N 2 2 209.337 2.299 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596131 352641093 /nfs/dbraw/zinc/64/10/93/352641093.db2.gz GVTIUMJOVLXYBR-RISCZKNCSA-N 2 2 218.344 2.262 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000043327142 352637329 /nfs/dbraw/zinc/63/73/29/352637329.db2.gz IPVBKCBQTMOUBP-MNOVXSKESA-N 2 2 222.307 2.228 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)CS1 ZINC000336763520 187825867 /nfs/dbraw/zinc/82/58/67/187825867.db2.gz PGSJUWBQXJDIKG-WOPDTQHZSA-N 2 2 230.421 2.056 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000412036367 191246835 /nfs/dbraw/zinc/24/68/35/191246835.db2.gz LVYJYAWLIOXUKR-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000412036367 191246837 /nfs/dbraw/zinc/24/68/37/191246837.db2.gz LVYJYAWLIOXUKR-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000412035561 191248261 /nfs/dbraw/zinc/24/82/61/191248261.db2.gz GAIDHJFMZNLELV-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000412035561 191248264 /nfs/dbraw/zinc/24/82/64/191248264.db2.gz GAIDHJFMZNLELV-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334188568 352777838 /nfs/dbraw/zinc/77/78/38/352777838.db2.gz GOLWWHRGJQIQAF-CYBMUJFWSA-N 2 2 241.338 2.365 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334188568 352777842 /nfs/dbraw/zinc/77/78/42/352777842.db2.gz GOLWWHRGJQIQAF-CYBMUJFWSA-N 2 2 241.338 2.365 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000345165588 538105615 /nfs/dbraw/zinc/10/56/15/538105615.db2.gz AYLAUHZZQSZRKY-NEPJUHHUSA-N 2 2 248.374 2.012 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@H]1C ZINC000345165588 538105616 /nfs/dbraw/zinc/10/56/16/538105616.db2.gz AYLAUHZZQSZRKY-NEPJUHHUSA-N 2 2 248.374 2.012 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)CC1(C)C ZINC000334396475 353069606 /nfs/dbraw/zinc/06/96/06/353069606.db2.gz WKJBUBKVIKKCTP-LLVKDONJSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)CC1(C)C ZINC000334396475 353069608 /nfs/dbraw/zinc/06/96/08/353069608.db2.gz WKJBUBKVIKKCTP-LLVKDONJSA-N 2 2 221.348 2.312 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000638873354 353043886 /nfs/dbraw/zinc/04/38/86/353043886.db2.gz HRJONPRTFKZKFR-ZDUSSCGKSA-N 2 2 224.392 2.354 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000638873354 353043887 /nfs/dbraw/zinc/04/38/87/353043887.db2.gz HRJONPRTFKZKFR-ZDUSSCGKSA-N 2 2 224.392 2.354 20 0 BEADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000354100630 188061865 /nfs/dbraw/zinc/06/18/65/188061865.db2.gz OICNVSFEBQVUCT-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccco2)C1 ZINC000354100630 188061866 /nfs/dbraw/zinc/06/18/66/188061866.db2.gz OICNVSFEBQVUCT-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000354100630 188061868 /nfs/dbraw/zinc/06/18/68/188061868.db2.gz OICNVSFEBQVUCT-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000354100630 188061870 /nfs/dbraw/zinc/06/18/70/188061870.db2.gz OICNVSFEBQVUCT-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCCO2)c[nH+]1 ZINC000354157130 188062095 /nfs/dbraw/zinc/06/20/95/188062095.db2.gz FSWDLZDXEAQSFN-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCC=CO1)CCCC2 ZINC000375300991 188077173 /nfs/dbraw/zinc/07/71/73/188077173.db2.gz DLLYDRMFPGBGLR-ZDUSSCGKSA-N 2 2 247.342 2.002 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000336756216 353153110 /nfs/dbraw/zinc/15/31/10/353153110.db2.gz GVDFBPVTNLVFDX-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000336756216 353153111 /nfs/dbraw/zinc/15/31/11/353153111.db2.gz GVDFBPVTNLVFDX-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCCC1 ZINC000037166726 188106269 /nfs/dbraw/zinc/10/62/69/188106269.db2.gz GELPPAGCIDRKAL-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)([NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000042516948 188151451 /nfs/dbraw/zinc/15/14/51/188151451.db2.gz YHPPYOCNWDAQHJ-UHFFFAOYSA-N 2 2 224.373 2.450 20 0 BEADLP CC(C)([NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000042516948 188151453 /nfs/dbraw/zinc/15/14/53/188151453.db2.gz YHPPYOCNWDAQHJ-UHFFFAOYSA-N 2 2 224.373 2.450 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CS1 ZINC000336652890 188163708 /nfs/dbraw/zinc/16/37/08/188163708.db2.gz FULCXHXQEXTKEM-AGIUHOORSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CS1 ZINC000336652890 188163710 /nfs/dbraw/zinc/16/37/10/188163710.db2.gz FULCXHXQEXTKEM-AGIUHOORSA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccn2C)CC1 ZINC000271038464 188198336 /nfs/dbraw/zinc/19/83/36/188198336.db2.gz KWDSRQFUVQJXCD-UHFFFAOYSA-N 2 2 249.402 2.330 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccn2C)CC1 ZINC000271038464 188198338 /nfs/dbraw/zinc/19/83/38/188198338.db2.gz KWDSRQFUVQJXCD-UHFFFAOYSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336768482 188176512 /nfs/dbraw/zinc/17/65/12/188176512.db2.gz UHVXBEYYDNXKMZ-NEPJUHHUSA-N 2 2 216.344 2.056 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336768482 188176514 /nfs/dbraw/zinc/17/65/14/188176514.db2.gz UHVXBEYYDNXKMZ-NEPJUHHUSA-N 2 2 216.344 2.056 20 0 BEADLP CC(C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365663339 188184752 /nfs/dbraw/zinc/18/47/52/188184752.db2.gz MUDDGWOSLYNPBN-NSHDSACASA-N 2 2 207.321 2.008 20 0 BEADLP CC(C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365663339 188184755 /nfs/dbraw/zinc/18/47/55/188184755.db2.gz MUDDGWOSLYNPBN-NSHDSACASA-N 2 2 207.321 2.008 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000122726501 188186722 /nfs/dbraw/zinc/18/67/22/188186722.db2.gz BYFHNPHPLUQZHS-JQWIXIFHSA-N 2 2 224.373 2.178 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000122726501 188186724 /nfs/dbraw/zinc/18/67/24/188186724.db2.gz BYFHNPHPLUQZHS-JQWIXIFHSA-N 2 2 224.373 2.178 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336770487 353302807 /nfs/dbraw/zinc/30/28/07/353302807.db2.gz SYJGLAPWVURCDG-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336770487 353302810 /nfs/dbraw/zinc/30/28/10/353302810.db2.gz SYJGLAPWVURCDG-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000122803247 324058672 /nfs/dbraw/zinc/05/86/72/324058672.db2.gz WJAYDWJDVBWZJV-JKOKRWQUSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000122803247 324058675 /nfs/dbraw/zinc/05/86/75/324058675.db2.gz WJAYDWJDVBWZJV-JKOKRWQUSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC1(F)F ZINC000639085217 353423339 /nfs/dbraw/zinc/42/33/39/353423339.db2.gz DFFNADOPBRFBEU-NXEZZACHSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336778774 353526189 /nfs/dbraw/zinc/52/61/89/353526189.db2.gz MHKKHJVZPWJSIJ-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336778774 353526193 /nfs/dbraw/zinc/52/61/93/353526193.db2.gz MHKKHJVZPWJSIJ-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP CC[C@]1(C)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343316402 353654615 /nfs/dbraw/zinc/65/46/15/353654615.db2.gz BEGHDAYAKFBTTB-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@]1(C)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343316402 353654616 /nfs/dbraw/zinc/65/46/16/353654616.db2.gz BEGHDAYAKFBTTB-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000149328424 181004949 /nfs/dbraw/zinc/00/49/49/181004949.db2.gz YSOHWDHGZLJVTK-AWEZNQCLSA-N 2 2 245.301 2.299 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232687392 353749605 /nfs/dbraw/zinc/74/96/05/353749605.db2.gz IRIYKEBOAOMORX-WFASDCNBSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232687392 353749606 /nfs/dbraw/zinc/74/96/06/353749606.db2.gz IRIYKEBOAOMORX-WFASDCNBSA-N 2 2 248.370 2.253 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC(F)(F)C1 ZINC000529529564 353737841 /nfs/dbraw/zinc/73/78/41/353737841.db2.gz BZASUSAHEOVBQF-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC(F)(F)C1 ZINC000529529564 353737842 /nfs/dbraw/zinc/73/78/42/353737842.db2.gz BZASUSAHEOVBQF-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000343696373 353966448 /nfs/dbraw/zinc/96/64/48/353966448.db2.gz BJHZMDKHFMQKIH-IUODEOHRSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000343696373 353966451 /nfs/dbraw/zinc/96/64/51/353966451.db2.gz BJHZMDKHFMQKIH-IUODEOHRSA-N 2 2 248.370 2.125 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)C2 ZINC000334571893 354099829 /nfs/dbraw/zinc/09/98/29/354099829.db2.gz UUAILUCJCYIJOL-UHFFFAOYSA-N 2 2 227.311 2.207 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)C2 ZINC000334571893 354099832 /nfs/dbraw/zinc/09/98/32/354099832.db2.gz UUAILUCJCYIJOL-UHFFFAOYSA-N 2 2 227.311 2.207 20 0 BEADLP CC(C)C[C@H](C[NH2+]C1CC(C)C1)[NH+](C)C ZINC000231787403 363352718 /nfs/dbraw/zinc/35/27/18/363352718.db2.gz KRBVHBSCUIIRAP-WXRRBKDZSA-N 2 2 212.381 2.351 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000334586453 354211555 /nfs/dbraw/zinc/21/15/55/354211555.db2.gz UJSJJAUDPSXVFH-UONOGXRCSA-N 2 2 247.386 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000334586453 354211556 /nfs/dbraw/zinc/21/15/56/354211556.db2.gz UJSJJAUDPSXVFH-UONOGXRCSA-N 2 2 247.386 2.473 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344323889 354247435 /nfs/dbraw/zinc/24/74/35/354247435.db2.gz JZWVCISLHZMZSG-DOMZBBRYSA-N 2 2 248.370 2.268 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344323889 354247436 /nfs/dbraw/zinc/24/74/36/354247436.db2.gz JZWVCISLHZMZSG-DOMZBBRYSA-N 2 2 248.370 2.268 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344323893 354247581 /nfs/dbraw/zinc/24/75/81/354247581.db2.gz JZWVCISLHZMZSG-IUODEOHRSA-N 2 2 248.370 2.268 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344323893 354247583 /nfs/dbraw/zinc/24/75/83/354247583.db2.gz JZWVCISLHZMZSG-IUODEOHRSA-N 2 2 248.370 2.268 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344323899 354247649 /nfs/dbraw/zinc/24/76/49/354247649.db2.gz JZWVCISLHZMZSG-WFASDCNBSA-N 2 2 248.370 2.268 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344323899 354247651 /nfs/dbraw/zinc/24/76/51/354247651.db2.gz JZWVCISLHZMZSG-WFASDCNBSA-N 2 2 248.370 2.268 20 0 BEADLP c1[nH]c(C[N@@H+]2CCCc3ccccc3CC2)c[nH+]1 ZINC000334622425 354360399 /nfs/dbraw/zinc/36/03/99/354360399.db2.gz ZISBCPCQXSSKMU-UHFFFAOYSA-N 2 2 241.338 2.401 20 0 BEADLP c1[nH]c(C[N@H+]2CCCc3ccccc3CC2)c[nH+]1 ZINC000334622425 354360401 /nfs/dbraw/zinc/36/04/01/354360401.db2.gz ZISBCPCQXSSKMU-UHFFFAOYSA-N 2 2 241.338 2.401 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644570 354403176 /nfs/dbraw/zinc/40/31/76/354403176.db2.gz NJZJMSMCIJIOSW-RISCZKNCSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334644570 354403178 /nfs/dbraw/zinc/40/31/78/354403178.db2.gz NJZJMSMCIJIOSW-RISCZKNCSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000334654494 354448018 /nfs/dbraw/zinc/44/80/18/354448018.db2.gz VVJRHSQAPKLWBG-AAEUAGOBSA-N 2 2 208.349 2.027 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000334654494 354448020 /nfs/dbraw/zinc/44/80/20/354448020.db2.gz VVJRHSQAPKLWBG-AAEUAGOBSA-N 2 2 208.349 2.027 20 0 BEADLP CC(C)C1CC([NH2+]CC[NH+]2CCCC2)C1 ZINC000232536928 363373853 /nfs/dbraw/zinc/37/38/53/363373853.db2.gz XKLZBNGDWCFDCW-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000335125336 354768294 /nfs/dbraw/zinc/76/82/94/354768294.db2.gz XRESTWFTNARFFA-VXGBXAGGSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000335125336 354768296 /nfs/dbraw/zinc/76/82/96/354768296.db2.gz XRESTWFTNARFFA-VXGBXAGGSA-N 2 2 221.348 2.312 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000366925478 354837296 /nfs/dbraw/zinc/83/72/96/354837296.db2.gz WAWQYODOBJCKQX-GFCCVEGCSA-N 2 2 221.348 2.256 20 0 BEADLP CC(C)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000366925478 354837299 /nfs/dbraw/zinc/83/72/99/354837299.db2.gz WAWQYODOBJCKQX-GFCCVEGCSA-N 2 2 221.348 2.256 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000335144814 354852864 /nfs/dbraw/zinc/85/28/64/354852864.db2.gz XMJYOVIZJGCLOB-NSHDSACASA-N 2 2 231.299 2.003 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000335144814 354852867 /nfs/dbraw/zinc/85/28/67/354852867.db2.gz XMJYOVIZJGCLOB-NSHDSACASA-N 2 2 231.299 2.003 20 0 BEADLP Cc1csc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000335165726 354922512 /nfs/dbraw/zinc/92/25/12/354922512.db2.gz WSWKNTZATMIQLE-JQWIXIFHSA-N 2 2 224.373 2.144 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346566065 354970122 /nfs/dbraw/zinc/97/01/22/354970122.db2.gz RNAOYIOAIHMMGE-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346566065 354970125 /nfs/dbraw/zinc/97/01/25/354970125.db2.gz RNAOYIOAIHMMGE-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000346632865 355013866 /nfs/dbraw/zinc/01/38/66/355013866.db2.gz FJCSOFATBRYBSS-JSGCOSHPSA-N 2 2 248.370 2.092 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000346632865 355013869 /nfs/dbraw/zinc/01/38/69/355013869.db2.gz FJCSOFATBRYBSS-JSGCOSHPSA-N 2 2 248.370 2.092 20 0 BEADLP CC[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346641169 355016425 /nfs/dbraw/zinc/01/64/25/355016425.db2.gz LJHDKWJWNVOJSH-AWEZNQCLSA-N 2 2 232.371 2.476 20 0 BEADLP CC[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346641169 355016426 /nfs/dbraw/zinc/01/64/26/355016426.db2.gz LJHDKWJWNVOJSH-AWEZNQCLSA-N 2 2 232.371 2.476 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000335192992 355025789 /nfs/dbraw/zinc/02/57/89/355025789.db2.gz HMRCPCJNTNPNTI-OLZOCXBDSA-N 2 2 237.347 2.041 20 0 BEADLP COc1ccccc1/C=C\C[N@@H+]1CCC[NH2+]CC1 ZINC000346691653 355074762 /nfs/dbraw/zinc/07/47/62/355074762.db2.gz WOTBLNZIEZTFGY-DAXSKMNVSA-N 2 2 246.354 2.004 20 0 BEADLP COc1ccccc1/C=C\C[N@H+]1CCC[NH2+]CC1 ZINC000346691653 355074763 /nfs/dbraw/zinc/07/47/63/355074763.db2.gz WOTBLNZIEZTFGY-DAXSKMNVSA-N 2 2 246.354 2.004 20 0 BEADLP Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000335182949 355081102 /nfs/dbraw/zinc/08/11/02/355081102.db2.gz YAHDVPZELLJQAP-WFASDCNBSA-N 2 2 246.354 2.111 20 0 BEADLP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000335182946 355081341 /nfs/dbraw/zinc/08/13/41/355081341.db2.gz YAHDVPZELLJQAP-DOMZBBRYSA-N 2 2 246.354 2.111 20 0 BEADLP COc1ccc(C[N@H+](CC(C)(C)[NH3+])C2CC2)cc1 ZINC000346838176 355132475 /nfs/dbraw/zinc/13/24/75/355132475.db2.gz QXNIPALJEHLJLC-UHFFFAOYSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc(C[N@@H+](CC(C)(C)[NH3+])C2CC2)cc1 ZINC000346838176 355132479 /nfs/dbraw/zinc/13/24/79/355132479.db2.gz QXNIPALJEHLJLC-UHFFFAOYSA-N 2 2 248.370 2.397 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1CC1(C)C ZINC000639233901 355216339 /nfs/dbraw/zinc/21/63/39/355216339.db2.gz YBYLMVHLSJGKLW-QJPTWQEYSA-N 2 2 212.381 2.351 20 0 BEADLP COc1ccsc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000347013317 355205143 /nfs/dbraw/zinc/20/51/43/355205143.db2.gz HVAIBHJSNNQHDF-SNVBAGLBSA-N 2 2 240.372 2.070 20 0 BEADLP COc1ccsc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000347013317 355205144 /nfs/dbraw/zinc/20/51/44/355205144.db2.gz HVAIBHJSNNQHDF-SNVBAGLBSA-N 2 2 240.372 2.070 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cscn1 ZINC000335281660 355272094 /nfs/dbraw/zinc/27/20/94/355272094.db2.gz JGQQGIZXNROIIP-NXEZZACHSA-N 2 2 248.355 2.005 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414796125 191569928 /nfs/dbraw/zinc/56/99/28/191569928.db2.gz NOERIBVFIDRRNV-GFCCVEGCSA-N 2 2 228.286 2.038 20 0 BEADLP CC(C)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414883560 191614676 /nfs/dbraw/zinc/61/46/76/191614676.db2.gz NJBURZRTVNVLFA-CQSZACIVSA-N 2 2 248.370 2.173 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415092917 191676012 /nfs/dbraw/zinc/67/60/12/191676012.db2.gz UISXBIVDWXKBBD-NEPJUHHUSA-N 2 2 237.347 2.084 20 0 BEADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC(C)(C)[NH3+])n1 ZINC000335857123 355602028 /nfs/dbraw/zinc/60/20/28/355602028.db2.gz MLSVRJMZTLZEKC-ZDUSSCGKSA-N 2 2 233.359 2.264 20 0 BEADLP Cc1cccc([C@@H]2CCC[N@H+]2CC(C)(C)[NH3+])n1 ZINC000335857123 355602032 /nfs/dbraw/zinc/60/20/32/355602032.db2.gz MLSVRJMZTLZEKC-ZDUSSCGKSA-N 2 2 233.359 2.264 20 0 BEADLP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639302504 355647475 /nfs/dbraw/zinc/64/74/75/355647475.db2.gz GZPGYAIRESLXGW-JSGCOSHPSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639302504 355647480 /nfs/dbraw/zinc/64/74/80/355647480.db2.gz GZPGYAIRESLXGW-JSGCOSHPSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639305114 355655850 /nfs/dbraw/zinc/65/58/50/355655850.db2.gz JUKWSTQJYPNSMH-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639305114 355655851 /nfs/dbraw/zinc/65/58/51/355655851.db2.gz JUKWSTQJYPNSMH-QWHCGFSZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639304745 355660096 /nfs/dbraw/zinc/66/00/96/355660096.db2.gz AZHLVXCJBYHCBA-GXTWGEPZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639304745 355660098 /nfs/dbraw/zinc/66/00/98/355660098.db2.gz AZHLVXCJBYHCBA-GXTWGEPZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]1CCCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000582189536 355693529 /nfs/dbraw/zinc/69/35/29/355693529.db2.gz SPNYSLWXXBUMDC-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@H]1CCCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000582189536 355693530 /nfs/dbraw/zinc/69/35/30/355693530.db2.gz SPNYSLWXXBUMDC-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CO[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000425425266 191852160 /nfs/dbraw/zinc/85/21/60/191852160.db2.gz QLEQRCGXMABGNZ-ZDUSSCGKSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1F ZINC000216041966 355801694 /nfs/dbraw/zinc/80/16/94/355801694.db2.gz SKDAFQQLRFDGGE-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1F ZINC000216041966 355801698 /nfs/dbraw/zinc/80/16/98/355801698.db2.gz SKDAFQQLRFDGGE-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CC3CCC3)C2)c[nH+]1 ZINC000608495307 355820270 /nfs/dbraw/zinc/82/02/70/355820270.db2.gz OGJIXKPJEXQYRI-CYBMUJFWSA-N 2 2 219.332 2.320 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CC3CCC3)C2)c[nH+]1 ZINC000608495307 355820272 /nfs/dbraw/zinc/82/02/72/355820272.db2.gz OGJIXKPJEXQYRI-CYBMUJFWSA-N 2 2 219.332 2.320 20 0 BEADLP CC(C)C(C[NH2+]C[C@@H](C)[NH+](C)C)C(C)C ZINC000389358898 355978043 /nfs/dbraw/zinc/97/80/43/355978043.db2.gz CMWRBACXPVSNNJ-GFCCVEGCSA-N 2 2 214.397 2.454 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000584350697 356064514 /nfs/dbraw/zinc/06/45/14/356064514.db2.gz YFXSILPJYOFREH-UWMJVVDFSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000584350697 356064515 /nfs/dbraw/zinc/06/45/15/356064515.db2.gz YFXSILPJYOFREH-UWMJVVDFSA-N 2 2 236.403 2.352 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@H]2CC23CC3)[nH+]1 ZINC000418093323 191967217 /nfs/dbraw/zinc/96/72/17/191967217.db2.gz IZFMLUMYKLBABV-LLVKDONJSA-N 2 2 227.311 2.224 20 0 BEADLP C[N@H+](Cc1cccs1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639396061 356097076 /nfs/dbraw/zinc/09/70/76/356097076.db2.gz GLQFDGCVJVKELF-CYBMUJFWSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@@H+](Cc1cccs1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639396061 356097079 /nfs/dbraw/zinc/09/70/79/356097079.db2.gz GLQFDGCVJVKELF-CYBMUJFWSA-N 2 2 236.384 2.274 20 0 BEADLP CCC(F)(F)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000639452518 356232697 /nfs/dbraw/zinc/23/26/97/356232697.db2.gz DGNFTEWBRNFAET-UHFFFAOYSA-N 2 2 234.334 2.305 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336103307 134084102 /nfs/dbraw/zinc/08/41/02/134084102.db2.gz ZOAMODUNCOZSMS-NEPJUHHUSA-N 2 2 233.359 2.366 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000192390120 356182854 /nfs/dbraw/zinc/18/28/54/356182854.db2.gz RFHPLJDPFZBTGA-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCCOCC2)c(C)[nH+]1 ZINC000639466016 356251917 /nfs/dbraw/zinc/25/19/17/356251917.db2.gz RHIVHURGJZWMQX-UHFFFAOYSA-N 2 2 234.343 2.229 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCCOCC2)c(C)[nH+]1 ZINC000639466016 356251920 /nfs/dbraw/zinc/25/19/20/356251920.db2.gz RHIVHURGJZWMQX-UHFFFAOYSA-N 2 2 234.343 2.229 20 0 BEADLP Cc1cc(N(CCC[NH3+])CC2CCCC2)nc[nH+]1 ZINC000420260194 192190569 /nfs/dbraw/zinc/19/05/69/192190569.db2.gz ZRKLEJOTCGPZMG-UHFFFAOYSA-N 2 2 248.374 2.130 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000420296977 192205307 /nfs/dbraw/zinc/20/53/07/192205307.db2.gz XTGVBZXVYSJHMY-VXGBXAGGSA-N 2 2 239.363 2.349 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000420296977 192205309 /nfs/dbraw/zinc/20/53/09/192205309.db2.gz XTGVBZXVYSJHMY-VXGBXAGGSA-N 2 2 239.363 2.349 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000420339827 192215389 /nfs/dbraw/zinc/21/53/89/192215389.db2.gz QUFTZMJREMVTNF-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000420339827 192215390 /nfs/dbraw/zinc/21/53/90/192215390.db2.gz QUFTZMJREMVTNF-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCC(F)(F)F ZINC000420351212 192218268 /nfs/dbraw/zinc/21/82/68/192218268.db2.gz JJXGOLGAPUHMQQ-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCC(F)(F)F ZINC000420351212 192218270 /nfs/dbraw/zinc/21/82/70/192218270.db2.gz JJXGOLGAPUHMQQ-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@@H]([NH2+]C)C2)c1 ZINC000420304531 192209446 /nfs/dbraw/zinc/20/94/46/192209446.db2.gz YCVBSWBEAKOPQT-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@@H]([NH2+]C)C2)c1 ZINC000420304531 192209447 /nfs/dbraw/zinc/20/94/47/192209447.db2.gz YCVBSWBEAKOPQT-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000420370296 192227476 /nfs/dbraw/zinc/22/74/76/192227476.db2.gz OXFARJBCQAEJPN-SUNKGSAMSA-N 2 2 236.334 2.302 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000639532162 356381757 /nfs/dbraw/zinc/38/17/57/356381757.db2.gz BIMFKAYCJCBTOX-YNEHKIRRSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000639532162 356381758 /nfs/dbraw/zinc/38/17/58/356381758.db2.gz BIMFKAYCJCBTOX-YNEHKIRRSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1cccnc1 ZINC000420372267 192230551 /nfs/dbraw/zinc/23/05/51/192230551.db2.gz QFEVCGWNXXJHPN-GFQSEFKGSA-N 2 2 233.359 2.119 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420363329 192223824 /nfs/dbraw/zinc/22/38/24/192223824.db2.gz JLBSKVSQOSFMLK-GZBFAFLISA-N 2 2 232.371 2.471 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000420400525 192238174 /nfs/dbraw/zinc/23/81/74/192238174.db2.gz IORKXUGNFZBCEX-MRVPVSSYSA-N 2 2 248.248 2.195 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1Cl ZINC000420408900 192238885 /nfs/dbraw/zinc/23/88/85/192238885.db2.gz QBPSIBWJZSPSDQ-JGVFFNPUSA-N 2 2 230.714 2.477 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1F ZINC000420409247 192238981 /nfs/dbraw/zinc/23/89/81/192238981.db2.gz QJOQKKWRQVHOKT-GFCCVEGCSA-N 2 2 228.286 2.354 20 0 BEADLP C[NH2+]CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000420416255 192240446 /nfs/dbraw/zinc/24/04/46/192240446.db2.gz VPCPRWIIHJZJKQ-SECBINFHSA-N 2 2 228.286 2.225 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1 ZINC000035274925 356467498 /nfs/dbraw/zinc/46/74/98/356467498.db2.gz WBEHDBBNOGIELU-GFCCVEGCSA-N 2 2 215.300 2.061 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H]2CO)c(C)[nH+]1 ZINC000639604138 356524661 /nfs/dbraw/zinc/52/46/61/356524661.db2.gz LPXWPBBGOSVICH-ZUZCIYMTSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H]2CO)c(C)[nH+]1 ZINC000639604138 356524663 /nfs/dbraw/zinc/52/46/63/356524663.db2.gz LPXWPBBGOSVICH-ZUZCIYMTSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H]2CO)c(C)[nH+]1 ZINC000639604137 356524790 /nfs/dbraw/zinc/52/47/90/356524790.db2.gz LPXWPBBGOSVICH-MEBBXXQBSA-N 2 2 248.370 2.210 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(C)[nH+]1 ZINC000639604137 356524794 /nfs/dbraw/zinc/52/47/94/356524794.db2.gz LPXWPBBGOSVICH-MEBBXXQBSA-N 2 2 248.370 2.210 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420965944 192282578 /nfs/dbraw/zinc/28/25/78/192282578.db2.gz TZUUFNHNSLSVKT-AWEZNQCLSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420965944 192282581 /nfs/dbraw/zinc/28/25/81/192282581.db2.gz TZUUFNHNSLSVKT-AWEZNQCLSA-N 2 2 247.386 2.475 20 0 BEADLP CO[C@H](C)C[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639644338 356557995 /nfs/dbraw/zinc/55/79/95/356557995.db2.gz PYFSAWYOSSYTOG-GFCCVEGCSA-N 2 2 236.359 2.474 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000380065471 538464563 /nfs/dbraw/zinc/46/45/63/538464563.db2.gz BXCXJYLTFORCJY-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000380065471 538464568 /nfs/dbraw/zinc/46/45/68/538464568.db2.gz BXCXJYLTFORCJY-GFCCVEGCSA-N 2 2 210.365 2.108 20 0 BEADLP Clc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000088287668 356657028 /nfs/dbraw/zinc/65/70/28/356657028.db2.gz LYKCSJCXZRYQDU-IUCAKERBSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000088287664 356657157 /nfs/dbraw/zinc/65/71/57/356657157.db2.gz LYKCSJCXZRYQDU-RKDXNWHRSA-N 2 2 242.775 2.053 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cnccc2C)CC1 ZINC000353383070 356710634 /nfs/dbraw/zinc/71/06/34/356710634.db2.gz RCKVURZWTCROSJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cnccc2C)CC1 ZINC000353383070 356710638 /nfs/dbraw/zinc/71/06/38/356710638.db2.gz RCKVURZWTCROSJ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CCC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450467071 202174597 /nfs/dbraw/zinc/17/45/97/202174597.db2.gz KHULMFFBGCUZJR-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000450467071 202174600 /nfs/dbraw/zinc/17/46/00/202174600.db2.gz KHULMFFBGCUZJR-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000450467071 202174602 /nfs/dbraw/zinc/17/46/02/202174602.db2.gz KHULMFFBGCUZJR-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000450467071 202174606 /nfs/dbraw/zinc/17/46/06/202174606.db2.gz KHULMFFBGCUZJR-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c(C)[nH+]1 ZINC000639828698 356811915 /nfs/dbraw/zinc/81/19/15/356811915.db2.gz POVFTVLORGZMIF-UKRRQHHQSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c(C)[nH+]1 ZINC000639828698 356811918 /nfs/dbraw/zinc/81/19/18/356811918.db2.gz POVFTVLORGZMIF-UKRRQHHQSA-N 2 2 248.370 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nccs2)CC1(C)C ZINC000623364707 356826739 /nfs/dbraw/zinc/82/67/39/356826739.db2.gz OQKFZAAVEWXZGV-JTQLQIEISA-N 2 2 239.388 2.106 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2nccs2)CC1(C)C ZINC000623364707 356826741 /nfs/dbraw/zinc/82/67/41/356826741.db2.gz OQKFZAAVEWXZGV-JTQLQIEISA-N 2 2 239.388 2.106 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423178366 192609991 /nfs/dbraw/zinc/60/99/91/192609991.db2.gz BWTIKFSTULIDMA-ZIAGYGMSSA-N 2 2 233.359 2.264 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccoc2)CC1(C)C ZINC000623373051 356882415 /nfs/dbraw/zinc/88/24/15/356882415.db2.gz QHEYNQOITJLZFU-LBPRGKRZSA-N 2 2 222.332 2.242 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccoc2)CC1(C)C ZINC000623373051 356882420 /nfs/dbraw/zinc/88/24/20/356882420.db2.gz QHEYNQOITJLZFU-LBPRGKRZSA-N 2 2 222.332 2.242 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000359303848 356888212 /nfs/dbraw/zinc/88/82/12/356888212.db2.gz NRBBRYKGNYGMPU-XUJVJEKNSA-N 2 2 247.386 2.245 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000359303848 356888215 /nfs/dbraw/zinc/88/82/15/356888215.db2.gz NRBBRYKGNYGMPU-XUJVJEKNSA-N 2 2 247.386 2.245 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155851894 538737866 /nfs/dbraw/zinc/73/78/66/538737866.db2.gz JUVIMKSUPKMYGI-AAEUAGOBSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155851894 538737875 /nfs/dbraw/zinc/73/78/75/538737875.db2.gz JUVIMKSUPKMYGI-AAEUAGOBSA-N 2 2 238.400 2.363 20 0 BEADLP CC(C)C[C@@H](CN[C@H](C)c1[nH]cc[nH+]1)[NH+](C)C ZINC000353447985 538744308 /nfs/dbraw/zinc/74/43/08/538744308.db2.gz NDQDPFJCUWBODY-NEPJUHHUSA-N 2 2 238.379 2.037 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1[nH]cc[nH+]1 ZINC000353521150 538748396 /nfs/dbraw/zinc/74/83/96/538748396.db2.gz PFXAIGJIRJZCHZ-RYUDHWBXSA-N 2 2 238.379 2.037 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](COC)CC(C)C ZINC000359597214 356891756 /nfs/dbraw/zinc/89/17/56/356891756.db2.gz QYCOUIZMYWBMTD-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](COC)CC(C)C ZINC000359597214 356891758 /nfs/dbraw/zinc/89/17/58/356891758.db2.gz QYCOUIZMYWBMTD-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP c1cncc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423196031 192621756 /nfs/dbraw/zinc/62/17/56/192621756.db2.gz UKECFRSWLCMPOI-CABCVRRESA-N 2 2 245.370 2.264 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000353668503 538753924 /nfs/dbraw/zinc/75/39/24/538753924.db2.gz GQYYUUFWVDBFJR-AGIUHOORSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+](C)C1CC1 ZINC000130809854 325090924 /nfs/dbraw/zinc/09/09/24/325090924.db2.gz KXNRIKDOHVNTRA-JTQLQIEISA-N 2 2 222.376 2.247 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2sccc21 ZINC000423242306 192646573 /nfs/dbraw/zinc/64/65/73/192646573.db2.gz JCOUJYWZLANABE-NSHDSACASA-N 2 2 224.373 2.325 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC000390653471 357109179 /nfs/dbraw/zinc/10/91/79/357109179.db2.gz PYQHRUVJOAUKKR-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC000390653471 357109181 /nfs/dbraw/zinc/10/91/81/357109181.db2.gz PYQHRUVJOAUKKR-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000390653468 357109190 /nfs/dbraw/zinc/10/91/90/357109190.db2.gz PYQHRUVJOAUKKR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000390653468 357109192 /nfs/dbraw/zinc/10/91/92/357109192.db2.gz PYQHRUVJOAUKKR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[C@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389904834 357065051 /nfs/dbraw/zinc/06/50/51/357065051.db2.gz GFIMNPBGDKSXFU-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP CCC[C@H](C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389904834 357065053 /nfs/dbraw/zinc/06/50/53/357065053.db2.gz GFIMNPBGDKSXFU-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cs1 ZINC000423234405 192643457 /nfs/dbraw/zinc/64/34/57/192643457.db2.gz LSAPJLQEEWTSTQ-ZYHUDNBSSA-N 2 2 224.373 2.459 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373107395 357118302 /nfs/dbraw/zinc/11/83/02/357118302.db2.gz SCNGZVWZYPGZBR-LBPRGKRZSA-N 2 2 221.348 2.256 20 0 BEADLP CC(C)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373107395 357118304 /nfs/dbraw/zinc/11/83/04/357118304.db2.gz SCNGZVWZYPGZBR-LBPRGKRZSA-N 2 2 221.348 2.256 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2C ZINC000423252694 192652711 /nfs/dbraw/zinc/65/27/11/192652711.db2.gz YBDVXNASGIRIOD-AWEZNQCLSA-N 2 2 218.344 2.181 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000157191938 538812645 /nfs/dbraw/zinc/81/26/45/538812645.db2.gz JQABIMGWLJDMDI-NTZNESFSSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000157191938 538812654 /nfs/dbraw/zinc/81/26/54/538812654.db2.gz JQABIMGWLJDMDI-NTZNESFSSA-N 2 2 222.376 2.390 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000157652933 538833818 /nfs/dbraw/zinc/83/38/18/538833818.db2.gz LWHPIDPYZOBDPO-CQSZACIVSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000157652933 538833822 /nfs/dbraw/zinc/83/38/22/538833822.db2.gz LWHPIDPYZOBDPO-CQSZACIVSA-N 2 2 234.387 2.249 20 0 BEADLP [NH3+]CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000583135113 357488975 /nfs/dbraw/zinc/48/89/75/357488975.db2.gz HTZZZGMYEDYFQI-UHFFFAOYSA-N 2 2 240.391 2.006 20 0 BEADLP CCC[C@@]1([NH2+]CCc2cc[nH+]cc2C)CCOC1 ZINC000397542527 357573970 /nfs/dbraw/zinc/57/39/70/357573970.db2.gz YFGDQBWHBIJHPU-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000188573465 357562613 /nfs/dbraw/zinc/56/26/13/357562613.db2.gz YUBCKLUEFCAJET-OCCSQVGLSA-N 2 2 249.358 2.088 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000397547304 357590602 /nfs/dbraw/zinc/59/06/02/357590602.db2.gz UOHXDCLNPHFIMD-CABCVRRESA-N 2 2 246.354 2.090 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000189123561 357616787 /nfs/dbraw/zinc/61/67/87/357616787.db2.gz MUUKOWYXHNXBJM-NWDGAFQWSA-N 2 2 247.342 2.156 20 0 BEADLP CC(C)C1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000232536898 357669974 /nfs/dbraw/zinc/66/99/74/357669974.db2.gz OEIWIQYZURKQAL-UHFFFAOYSA-N 2 2 221.348 2.297 20 0 BEADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000583257204 357732688 /nfs/dbraw/zinc/73/26/88/357732688.db2.gz PEIWJAZMZHLJJC-LLVKDONJSA-N 2 2 239.338 2.259 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CC(C)(C)C1 ZINC000336774011 168772404 /nfs/dbraw/zinc/77/24/04/168772404.db2.gz ZGGHSKNAOBLLFV-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CC(C)(C)C1 ZINC000336774011 168772406 /nfs/dbraw/zinc/77/24/06/168772406.db2.gz ZGGHSKNAOBLLFV-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cnccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000584570643 358070488 /nfs/dbraw/zinc/07/04/88/358070488.db2.gz HADIYSYZNGXGHB-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1cnccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000584570643 358070489 /nfs/dbraw/zinc/07/04/89/358070489.db2.gz HADIYSYZNGXGHB-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1C ZINC000583882988 358119273 /nfs/dbraw/zinc/11/92/73/358119273.db2.gz BBGDCDQZKNHVBM-WXHSDQCUSA-N 2 2 219.332 2.007 20 0 BEADLP CCc1[nH+]ccn1C/C=C/Cn1cc[nH+]c1CC ZINC000584794001 358181647 /nfs/dbraw/zinc/18/16/47/358181647.db2.gz YURIFNDZPHJDLI-AATRIKPKSA-N 2 2 244.342 2.461 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000395093430 491125244 /nfs/dbraw/zinc/12/52/44/491125244.db2.gz CZTJNRPKEWMIEE-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CCF)C2)n1C ZINC000668591623 491128422 /nfs/dbraw/zinc/12/84/22/491128422.db2.gz CZVWVHSZDWKWDE-GFCCVEGCSA-N 2 2 239.338 2.300 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](CCF)C2)n1C ZINC000668591623 491128423 /nfs/dbraw/zinc/12/84/23/491128423.db2.gz CZVWVHSZDWKWDE-GFCCVEGCSA-N 2 2 239.338 2.300 20 0 BEADLP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000228267514 358372413 /nfs/dbraw/zinc/37/24/13/358372413.db2.gz VULRSUBMNCVEDZ-NXEZZACHSA-N 2 2 236.363 2.446 20 0 BEADLP CSCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000173620959 134275682 /nfs/dbraw/zinc/27/56/82/134275682.db2.gz VWEFASCRFBZNKJ-CYBMUJFWSA-N 2 2 242.432 2.300 20 0 BEADLP CSCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000173620959 134275683 /nfs/dbraw/zinc/27/56/83/134275683.db2.gz VWEFASCRFBZNKJ-CYBMUJFWSA-N 2 2 242.432 2.300 20 0 BEADLP CC[C@H](C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000045105727 358400217 /nfs/dbraw/zinc/40/02/17/358400217.db2.gz GTEYSZDUAKYCAX-LBPRGKRZSA-N 2 2 209.337 2.299 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccnc1 ZINC000045094580 358400593 /nfs/dbraw/zinc/40/05/93/358400593.db2.gz PKWWRNFMLWVIJB-CYBMUJFWSA-N 2 2 244.342 2.409 20 0 BEADLP c1cn(CCCCNc2cccc[nH+]2)c[nH+]1 ZINC000045108248 358401078 /nfs/dbraw/zinc/40/10/78/358401078.db2.gz OHMCUSSWAVGMTE-UHFFFAOYSA-N 2 2 216.288 2.170 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000130184372 358612587 /nfs/dbraw/zinc/61/25/87/358612587.db2.gz VESDSDPLAUHMIS-XBFCOCLRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[N@H+](C)CCC[NH3+] ZINC000133216293 358749083 /nfs/dbraw/zinc/74/90/83/358749083.db2.gz DWDUUWHLVCLYPJ-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCC[NH3+] ZINC000133216293 358749086 /nfs/dbraw/zinc/74/90/86/358749086.db2.gz DWDUUWHLVCLYPJ-VIFPVBQESA-N 2 2 228.286 2.306 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2CCCCC2)n1C ZINC000578248678 366471249 /nfs/dbraw/zinc/47/12/49/366471249.db2.gz PDZUHQBPQHNWRD-UHFFFAOYSA-N 2 2 207.321 2.151 20 0 BEADLP FC(F)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000578303800 366477212 /nfs/dbraw/zinc/47/72/12/366477212.db2.gz PBDBVSCUGOPWJR-LBPRGKRZSA-N 2 2 240.297 2.466 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000220107619 134301086 /nfs/dbraw/zinc/30/10/86/134301086.db2.gz BVJQLBYPUDEJMM-OAHLLOKOSA-N 2 2 232.371 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000220107619 134301087 /nfs/dbraw/zinc/30/10/87/134301087.db2.gz BVJQLBYPUDEJMM-OAHLLOKOSA-N 2 2 232.371 2.406 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423334708 192714241 /nfs/dbraw/zinc/71/42/41/192714241.db2.gz SLBKJWKMJSKOGU-BDAKNGLRSA-N 2 2 239.388 2.020 20 0 BEADLP CC[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070562808 359059328 /nfs/dbraw/zinc/05/93/28/359059328.db2.gz QRSHUOIPNDIFSO-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP CC1(C)CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000070623132 359060542 /nfs/dbraw/zinc/06/05/42/359060542.db2.gz QEJGKBWKVXSZKD-UHFFFAOYSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000246971095 359178670 /nfs/dbraw/zinc/17/86/70/359178670.db2.gz JKWGQZZWPMLEIE-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000246971095 359178678 /nfs/dbraw/zinc/17/86/78/359178678.db2.gz JKWGQZZWPMLEIE-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000247110182 359214076 /nfs/dbraw/zinc/21/40/76/359214076.db2.gz ABIZOZGJBGJGPT-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000247110182 359214079 /nfs/dbraw/zinc/21/40/79/359214079.db2.gz ABIZOZGJBGJGPT-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000247110160 359214851 /nfs/dbraw/zinc/21/48/51/359214851.db2.gz ABIZOZGJBGJGPT-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000247110160 359214856 /nfs/dbraw/zinc/21/48/56/359214856.db2.gz ABIZOZGJBGJGPT-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000308892561 491139833 /nfs/dbraw/zinc/13/98/33/491139833.db2.gz YDUDZQGSJDLPSE-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000308892561 491139834 /nfs/dbraw/zinc/13/98/34/491139834.db2.gz YDUDZQGSJDLPSE-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@H+](C)C1CC1 ZINC000308917821 491140180 /nfs/dbraw/zinc/14/01/80/491140180.db2.gz OCVSSPSJIFHDEI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@@H+](C)C1CC1 ZINC000308917821 491140181 /nfs/dbraw/zinc/14/01/81/491140181.db2.gz OCVSSPSJIFHDEI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000423467087 192781364 /nfs/dbraw/zinc/78/13/64/192781364.db2.gz NXRMQMHDWRYEPX-WCQYABFASA-N 2 2 239.338 2.245 20 0 BEADLP CCc1nc(NCC[N@@H+]2CC=CCC2)cc(C)[nH+]1 ZINC000287732919 359517523 /nfs/dbraw/zinc/51/75/23/359517523.db2.gz LVDYTAKVJGQFJL-UHFFFAOYSA-N 2 2 246.358 2.021 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000379555816 359543194 /nfs/dbraw/zinc/54/31/94/359543194.db2.gz HGFMFYUSDGOMGY-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000379555816 359543196 /nfs/dbraw/zinc/54/31/96/359543196.db2.gz HGFMFYUSDGOMGY-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@@H]1C[N@H+](CC)CCN1c1cc(C)[nH+]c(C)n1 ZINC000450827127 202277550 /nfs/dbraw/zinc/27/75/50/202277550.db2.gz HESZIRGYTZJPLS-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP CC[C@@H]1C[N@@H+](CC)CCN1c1cc(C)[nH+]c(C)n1 ZINC000450827127 202277552 /nfs/dbraw/zinc/27/75/52/202277552.db2.gz HESZIRGYTZJPLS-CYBMUJFWSA-N 2 2 248.374 2.014 20 0 BEADLP CC(C)c1cc(N2CC[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000045954590 359745577 /nfs/dbraw/zinc/74/55/77/359745577.db2.gz FAOQRBTVTXTIDN-NSHDSACASA-N 2 2 248.374 2.261 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC23CCC(CC2)C3)n1C ZINC000578669404 366626034 /nfs/dbraw/zinc/62/60/34/366626034.db2.gz KRZITJLOMGTTJO-UHFFFAOYSA-N 2 2 233.359 2.398 20 0 BEADLP CC1(C)C[C@H]([NH2+]CC[NH+]2CCCC2)C(C)(C)O1 ZINC000094422701 360306779 /nfs/dbraw/zinc/30/67/79/360306779.db2.gz XDWBIKAFFMNWAU-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638604 360264246 /nfs/dbraw/zinc/26/42/46/360264246.db2.gz SOSJBCTXEKGYBI-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638604 360264251 /nfs/dbraw/zinc/26/42/51/360264251.db2.gz SOSJBCTXEKGYBI-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638604 360264254 /nfs/dbraw/zinc/26/42/54/360264254.db2.gz SOSJBCTXEKGYBI-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638604 360264260 /nfs/dbraw/zinc/26/42/60/360264260.db2.gz SOSJBCTXEKGYBI-TZMCWYRMSA-N 2 2 236.359 2.442 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000309526918 491150009 /nfs/dbraw/zinc/15/00/09/491150009.db2.gz CSRNVSPWLVIYMS-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000309526918 491150010 /nfs/dbraw/zinc/15/00/10/491150010.db2.gz CSRNVSPWLVIYMS-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000133303813 491150634 /nfs/dbraw/zinc/15/06/34/491150634.db2.gz LUDJRTBOTQADDF-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000133303813 491150635 /nfs/dbraw/zinc/15/06/35/491150635.db2.gz LUDJRTBOTQADDF-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309554402 491151329 /nfs/dbraw/zinc/15/13/29/491151329.db2.gz LUBRKTOUUYMSAL-ZIAGYGMSSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000629407441 361055894 /nfs/dbraw/zinc/05/58/94/361055894.db2.gz ADZRCVXOSJBNKZ-XHDPSFHLSA-N 2 2 230.355 2.404 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629396274 361044659 /nfs/dbraw/zinc/04/46/59/361044659.db2.gz JYBPPQHTEXXPIA-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000629408739 361059712 /nfs/dbraw/zinc/05/97/12/361059712.db2.gz ZFHGPOTXVRVHPG-GXFFZTMASA-N 2 2 230.311 2.273 20 0 BEADLP CCC[C@@H](C)CCC[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000629505894 361101130 /nfs/dbraw/zinc/10/11/30/361101130.db2.gz PTUIFECXOMKVHY-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)CCC[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000629505894 361101133 /nfs/dbraw/zinc/10/11/33/361101133.db2.gz PTUIFECXOMKVHY-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(O)ccc2Cl)CCC1 ZINC000629520557 361116414 /nfs/dbraw/zinc/11/64/14/361116414.db2.gz WNSXDYAAHPDPHK-UHFFFAOYSA-N 2 2 240.734 2.017 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579121905 366716293 /nfs/dbraw/zinc/71/62/93/366716293.db2.gz IAMLKNFWZURJCD-SYQHCUMBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000579121905 366716295 /nfs/dbraw/zinc/71/62/95/366716295.db2.gz IAMLKNFWZURJCD-SYQHCUMBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579121900 366716321 /nfs/dbraw/zinc/71/63/21/366716321.db2.gz IAMLKNFWZURJCD-AAVRWANBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000579121900 366716323 /nfs/dbraw/zinc/71/63/23/366716323.db2.gz IAMLKNFWZURJCD-AAVRWANBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000309781826 491156431 /nfs/dbraw/zinc/15/64/31/491156431.db2.gz NBBJPTPXQPWBGO-KBPBESRZSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000309781826 491156432 /nfs/dbraw/zinc/15/64/32/491156432.db2.gz NBBJPTPXQPWBGO-KBPBESRZSA-N 2 2 222.376 2.274 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCSC[C@@H]1C ZINC000191793724 361359952 /nfs/dbraw/zinc/35/99/52/361359952.db2.gz FCQSLPZDBUUQHD-LBPRGKRZSA-N 2 2 230.421 2.156 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCSC[C@@H]1C ZINC000191793724 361359960 /nfs/dbraw/zinc/35/99/60/361359960.db2.gz FCQSLPZDBUUQHD-LBPRGKRZSA-N 2 2 230.421 2.156 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccncc1 ZINC000629537735 361401361 /nfs/dbraw/zinc/40/13/61/361401361.db2.gz IHSTUOWKXDZLAB-YUTCNCBUSA-N 2 2 233.359 2.263 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccncc1 ZINC000629537733 361401474 /nfs/dbraw/zinc/40/14/74/361401474.db2.gz IHSTUOWKXDZLAB-XBFCOCLRSA-N 2 2 233.359 2.263 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092353 366784714 /nfs/dbraw/zinc/78/47/14/366784714.db2.gz OHTNPBMSXKKKHV-ZDUSSCGKSA-N 2 2 244.342 2.361 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092353 366784719 /nfs/dbraw/zinc/78/47/19/366784719.db2.gz OHTNPBMSXKKKHV-ZDUSSCGKSA-N 2 2 244.342 2.361 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542672 361420523 /nfs/dbraw/zinc/42/05/23/361420523.db2.gz IWJQMKPZUTYJDO-DYEKYZERSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000629544789 361424707 /nfs/dbraw/zinc/42/47/07/361424707.db2.gz CWFZXJZUCYMQJB-GBIKHYSHSA-N 2 2 222.307 2.227 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547853 361431493 /nfs/dbraw/zinc/43/14/93/361431493.db2.gz KVQFBZSQXZJVML-SGMGOOAPSA-N 2 2 248.370 2.405 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000629547855 361432021 /nfs/dbraw/zinc/43/20/21/361432021.db2.gz KWXCLAKTESRLSX-NILFDRSVSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629547733 361432061 /nfs/dbraw/zinc/43/20/61/361432061.db2.gz KELFTMLKRFKSGZ-JVUFJMBOSA-N 2 2 239.388 2.161 20 0 BEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccccc1F)C2 ZINC000629583877 361468502 /nfs/dbraw/zinc/46/85/02/361468502.db2.gz JUXKDACKGQRPCB-GASCZTMLSA-N 2 2 248.345 2.257 20 0 BEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccccc1F)C2 ZINC000629583877 361468504 /nfs/dbraw/zinc/46/85/04/361468504.db2.gz JUXKDACKGQRPCB-GASCZTMLSA-N 2 2 248.345 2.257 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000629558226 361452775 /nfs/dbraw/zinc/45/27/75/361452775.db2.gz UFDXGDQEZFPPHC-CQSZACIVSA-N 2 2 236.334 2.484 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000629558226 361452778 /nfs/dbraw/zinc/45/27/78/361452778.db2.gz UFDXGDQEZFPPHC-CQSZACIVSA-N 2 2 236.334 2.484 20 0 BEADLP CCC[NH2+]CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000629647591 361537609 /nfs/dbraw/zinc/53/76/09/361537609.db2.gz APLYZSSHNXIOHZ-UHFFFAOYSA-N 2 2 246.354 2.052 20 0 BEADLP COc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1C ZINC000629659960 361564171 /nfs/dbraw/zinc/56/41/71/361564171.db2.gz KUFQNIVEWMTNFX-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000448547855 201207115 /nfs/dbraw/zinc/20/71/15/201207115.db2.gz JPLZBOADMGPRIX-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000448547855 201207117 /nfs/dbraw/zinc/20/71/17/201207117.db2.gz JPLZBOADMGPRIX-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nccs1 ZINC000153314884 201231497 /nfs/dbraw/zinc/23/14/97/201231497.db2.gz PHZLDYWPIHUJLI-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nccs1 ZINC000153314884 201231499 /nfs/dbraw/zinc/23/14/99/201231499.db2.gz PHZLDYWPIHUJLI-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000435378526 201266294 /nfs/dbraw/zinc/26/62/94/201266294.db2.gz DTNQNZHTUYUBNC-NSHDSACASA-N 2 2 248.370 2.179 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000435378526 201266297 /nfs/dbraw/zinc/26/62/97/201266297.db2.gz DTNQNZHTUYUBNC-NSHDSACASA-N 2 2 248.370 2.179 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000310078160 491160013 /nfs/dbraw/zinc/16/00/13/491160013.db2.gz ZKJWEMWPTQHHSM-MJBXVCDLSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000310078160 491160014 /nfs/dbraw/zinc/16/00/14/491160014.db2.gz ZKJWEMWPTQHHSM-MJBXVCDLSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000310078152 491160036 /nfs/dbraw/zinc/16/00/36/491160036.db2.gz ZKJWEMWPTQHHSM-MCIONIFRSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000310078152 491160037 /nfs/dbraw/zinc/16/00/37/491160037.db2.gz ZKJWEMWPTQHHSM-MCIONIFRSA-N 2 2 240.391 2.016 20 0 BEADLP [NH3+]CCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000437775042 201371878 /nfs/dbraw/zinc/37/18/78/201371878.db2.gz MPRZUUGUSSEYDV-LBPRGKRZSA-N 2 2 242.313 2.191 20 0 BEADLP Cc1[nH+]c(C(C)C)ccc1Cn1ccnc1C[NH3+] ZINC000630583300 364284896 /nfs/dbraw/zinc/28/48/96/364284896.db2.gz DFYWWWULIKMLGE-UHFFFAOYSA-N 2 2 244.342 2.217 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000398964585 364379167 /nfs/dbraw/zinc/37/91/67/364379167.db2.gz PPRXCIIUNWHWHN-YRGRVCCFSA-N 2 2 218.344 2.478 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097930838 541394009 /nfs/dbraw/zinc/39/40/09/541394009.db2.gz ZSWSDHJISKJXAJ-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP [NH3+]CCCCNc1ccc2ccccc2[nH+]1 ZINC000037715125 181377332 /nfs/dbraw/zinc/37/73/32/181377332.db2.gz IUJKPIHJUNGVNK-UHFFFAOYSA-N 2 2 215.300 2.386 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(F)c(C)c2)n1C ZINC000574339866 365042956 /nfs/dbraw/zinc/04/29/56/365042956.db2.gz OVYQVIMOEJIKDL-UHFFFAOYSA-N 2 2 247.317 2.466 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCc2ccccc2F)n1C ZINC000575935978 365422094 /nfs/dbraw/zinc/42/20/94/365422094.db2.gz HEEIINCRDAESKB-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CCC[NH2+]CC2)cc1C ZINC000057537373 1172335806 /nfs/dbraw/zinc/33/58/06/1172335806.db2.gz RRGKLYVMXXKOFA-UHFFFAOYSA-N 2 2 248.370 2.107 20 0 BEADLP COc1cc(C)c(C[N@H+]2CCC[NH2+]CC2)cc1C ZINC000057537373 1172335810 /nfs/dbraw/zinc/33/58/10/1172335810.db2.gz RRGKLYVMXXKOFA-UHFFFAOYSA-N 2 2 248.370 2.107 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182804219 366943953 /nfs/dbraw/zinc/94/39/53/366943953.db2.gz SOWNTFBEEJNCOW-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182804219 366943957 /nfs/dbraw/zinc/94/39/57/366943957.db2.gz SOWNTFBEEJNCOW-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H](C1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182620550 366923765 /nfs/dbraw/zinc/92/37/65/366923765.db2.gz LBJAIDZQKUGVGQ-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H](C1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182620550 366923772 /nfs/dbraw/zinc/92/37/72/366923772.db2.gz LBJAIDZQKUGVGQ-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000182851100 366950208 /nfs/dbraw/zinc/95/02/08/366950208.db2.gz WENYGSTZRAILHS-TXEJJXNPSA-N 2 2 207.321 2.146 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000182851100 366950216 /nfs/dbraw/zinc/95/02/16/366950216.db2.gz WENYGSTZRAILHS-TXEJJXNPSA-N 2 2 207.321 2.146 20 0 BEADLP Cc1cccc(CC[NH2+]C(C)(C)C[NH+](C)C)c1 ZINC000453602787 202782182 /nfs/dbraw/zinc/78/21/82/202782182.db2.gz HDGHXDKOSQWBAL-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580962356 367219544 /nfs/dbraw/zinc/21/95/44/367219544.db2.gz DXBLRXBHHJFPFG-PNESKVBLSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@@H](C)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000580962356 367219548 /nfs/dbraw/zinc/21/95/48/367219548.db2.gz DXBLRXBHHJFPFG-PNESKVBLSA-N 2 2 210.365 2.236 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC(C)(C)C1 ZINC000580960099 367218714 /nfs/dbraw/zinc/21/87/14/367218714.db2.gz DNFHOPTXJDEBPD-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC(C)(C)C1 ZINC000580960099 367218719 /nfs/dbraw/zinc/21/87/19/367218719.db2.gz DNFHOPTXJDEBPD-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCc1cccs1 ZINC000381238180 367369177 /nfs/dbraw/zinc/36/91/77/367369177.db2.gz MIUZSRMAWXZJJG-AAEUAGOBSA-N 2 2 238.400 2.220 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCc1cccs1 ZINC000381238180 367369181 /nfs/dbraw/zinc/36/91/81/367369181.db2.gz MIUZSRMAWXZJJG-AAEUAGOBSA-N 2 2 238.400 2.220 20 0 BEADLP CC(C)C(C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000381276136 367373148 /nfs/dbraw/zinc/37/31/48/367373148.db2.gz XACCLQZFDJKMPB-TZMCWYRMSA-N 2 2 226.408 2.454 20 0 BEADLP CC(C)C(C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000381276136 367373150 /nfs/dbraw/zinc/37/31/50/367373150.db2.gz XACCLQZFDJKMPB-TZMCWYRMSA-N 2 2 226.408 2.454 20 0 BEADLP CCC(CC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000381552237 367429812 /nfs/dbraw/zinc/42/98/12/367429812.db2.gz NFBBWXFBQJPRKO-UHFFFAOYSA-N 2 2 221.348 2.498 20 0 BEADLP CCc1ccccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000382983224 367579788 /nfs/dbraw/zinc/57/97/88/367579788.db2.gz YNMNQIHTWROQHG-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP CCc1ccccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000382983224 367579792 /nfs/dbraw/zinc/57/97/92/367579792.db2.gz YNMNQIHTWROQHG-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000383028560 367588761 /nfs/dbraw/zinc/58/87/61/367588761.db2.gz ZNRXSRYAGMLBTE-HMZQOCAUSA-N 2 2 230.355 2.384 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000383028560 367588765 /nfs/dbraw/zinc/58/87/65/367588765.db2.gz ZNRXSRYAGMLBTE-HMZQOCAUSA-N 2 2 230.355 2.384 20 0 BEADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384513641 367695190 /nfs/dbraw/zinc/69/51/90/367695190.db2.gz UVXAGLZZMRMLTH-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384513641 367695196 /nfs/dbraw/zinc/69/51/96/367695196.db2.gz UVXAGLZZMRMLTH-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000384733430 367723872 /nfs/dbraw/zinc/72/38/72/367723872.db2.gz BNSSSCZNHZZZDB-KBIXYVOKSA-N 2 2 208.349 2.167 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000384733430 367723881 /nfs/dbraw/zinc/72/38/81/367723881.db2.gz BNSSSCZNHZZZDB-KBIXYVOKSA-N 2 2 208.349 2.167 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000384637177 367710117 /nfs/dbraw/zinc/71/01/17/367710117.db2.gz AGCJOQGOQLXZPM-MNOVXSKESA-N 2 2 200.370 2.351 20 0 BEADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1F ZINC000385252784 367813784 /nfs/dbraw/zinc/81/37/84/367813784.db2.gz WJXZABBNNSUJGQ-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1F ZINC000385252784 367813788 /nfs/dbraw/zinc/81/37/88/367813788.db2.gz WJXZABBNNSUJGQ-UHFFFAOYSA-N 2 2 236.334 2.447 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000385993674 367894787 /nfs/dbraw/zinc/89/47/87/367894787.db2.gz JJUUJOKUMQFYSJ-RISCZKNCSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386008200 367896012 /nfs/dbraw/zinc/89/60/12/367896012.db2.gz MBGMGDGQKOSDRZ-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386034194 367900087 /nfs/dbraw/zinc/90/00/87/367900087.db2.gz RKNZQEJVDZCUJZ-OCCSQVGLSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H]([NH2+]Cc1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000386588420 367996699 /nfs/dbraw/zinc/99/66/99/367996699.db2.gz QTQBMWFYBJMFQX-JQWIXIFHSA-N 2 2 224.373 2.368 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000386315747 367950590 /nfs/dbraw/zinc/95/05/90/367950590.db2.gz XNCBTRXHMPGQOB-OXHZDVMGSA-N 2 2 218.344 2.321 20 0 BEADLP Cc1ncsc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386628557 368002973 /nfs/dbraw/zinc/00/29/73/368002973.db2.gz ZOBPFDOIBKOOCJ-KOLCDFICSA-N 2 2 239.388 2.072 20 0 BEADLP Cc1cccc(CC[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000386657397 368007887 /nfs/dbraw/zinc/00/78/87/368007887.db2.gz RWCBOKBIWNXJID-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1cccc(CC[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000386657397 368007890 /nfs/dbraw/zinc/00/78/90/368007890.db2.gz RWCBOKBIWNXJID-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000582013812 368153408 /nfs/dbraw/zinc/15/34/08/368153408.db2.gz XNNUDAYMAMSFJS-CHWSQXEVSA-N 2 2 248.374 2.378 20 0 BEADLP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000631826920 368989603 /nfs/dbraw/zinc/98/96/03/368989603.db2.gz ACSWPQLYBSHQAA-GRYCIOLGSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@@H](C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 ZINC000631826920 368989606 /nfs/dbraw/zinc/98/96/06/368989606.db2.gz ACSWPQLYBSHQAA-GRYCIOLGSA-N 2 2 244.329 2.106 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C(C)C)C1CC1)C1CC1 ZINC000155886649 326213499 /nfs/dbraw/zinc/21/34/99/326213499.db2.gz SRDNUMPMENVRAP-CQSZACIVSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C(C)C)C1CC1)C1CC1 ZINC000155886649 326213500 /nfs/dbraw/zinc/21/35/00/326213500.db2.gz SRDNUMPMENVRAP-CQSZACIVSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C1CC1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459292334 203247373 /nfs/dbraw/zinc/24/73/73/203247373.db2.gz DINUZTGZGAHKBD-LLVKDONJSA-N 2 2 233.359 2.226 20 0 BEADLP C[C@H](C1CC1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459292334 203247374 /nfs/dbraw/zinc/24/73/74/203247374.db2.gz DINUZTGZGAHKBD-LLVKDONJSA-N 2 2 233.359 2.226 20 0 BEADLP CC(C)[N@H+](CCc1c[nH+]cn1C)C1CCC1 ZINC000459386130 203271288 /nfs/dbraw/zinc/27/12/88/203271288.db2.gz YDRXSQIBZIHNQM-UHFFFAOYSA-N 2 2 221.348 2.226 20 0 BEADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)C1CCC1 ZINC000459386130 203271291 /nfs/dbraw/zinc/27/12/91/203271291.db2.gz YDRXSQIBZIHNQM-UHFFFAOYSA-N 2 2 221.348 2.226 20 0 BEADLP CC(C)[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459359133 203267472 /nfs/dbraw/zinc/26/74/72/203267472.db2.gz DXPCHVKCSMBGOP-AWEZNQCLSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459359133 203267475 /nfs/dbraw/zinc/26/74/75/203267475.db2.gz DXPCHVKCSMBGOP-AWEZNQCLSA-N 2 2 235.375 2.473 20 0 BEADLP CCC[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459378797 203269946 /nfs/dbraw/zinc/26/99/46/203269946.db2.gz ZFPBICXRKGKTBG-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CCC[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459378797 203269948 /nfs/dbraw/zinc/26/99/48/203269948.db2.gz ZFPBICXRKGKTBG-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459518532 203296315 /nfs/dbraw/zinc/29/63/15/203296315.db2.gz RSZIOLODFVLYNE-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459518532 203296319 /nfs/dbraw/zinc/29/63/19/203296319.db2.gz RSZIOLODFVLYNE-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1cncc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459457882 203282982 /nfs/dbraw/zinc/28/29/82/203282982.db2.gz QIHZEDUUVPRBOP-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1ccc(CCC[NH2+]CC(F)F)c[nH+]1 ZINC000459552390 203299440 /nfs/dbraw/zinc/29/94/40/203299440.db2.gz ZDYVXWCPUVBISO-UHFFFAOYSA-N 2 2 214.259 2.177 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631857634 369436146 /nfs/dbraw/zinc/43/61/46/369436146.db2.gz LENOYIWQOXMQMO-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631857634 369436149 /nfs/dbraw/zinc/43/61/49/369436149.db2.gz LENOYIWQOXMQMO-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672726 203332578 /nfs/dbraw/zinc/33/25/78/203332578.db2.gz YBRLLBIYXNNFPY-ZIAGYGMSSA-N 2 2 235.375 2.377 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)C1 ZINC000459652965 203331519 /nfs/dbraw/zinc/33/15/19/203331519.db2.gz ANMXTZRTKZTTSE-AAVRWANBSA-N 2 2 224.392 2.351 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)C1 ZINC000459652965 203331521 /nfs/dbraw/zinc/33/15/21/203331521.db2.gz ANMXTZRTKZTTSE-AAVRWANBSA-N 2 2 224.392 2.351 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000459673462 203333672 /nfs/dbraw/zinc/33/36/72/203333672.db2.gz YZTVOEPVAJTODV-BNOWGMLFSA-N 2 2 233.359 2.131 20 0 BEADLP Cc1ncc(C[NH2+]CCCc2ccc(C)[nH+]c2)o1 ZINC000459678642 203336251 /nfs/dbraw/zinc/33/62/51/203336251.db2.gz RWSMRVOUJZYCTJ-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631859292 369468382 /nfs/dbraw/zinc/46/83/82/369468382.db2.gz MGBKAOBZXXOZDV-GXTWGEPZSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631859292 369468387 /nfs/dbraw/zinc/46/83/87/369468387.db2.gz MGBKAOBZXXOZDV-GXTWGEPZSA-N 2 2 248.370 2.395 20 0 BEADLP CC[C@@H]1OCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000459744430 203352261 /nfs/dbraw/zinc/35/22/61/203352261.db2.gz RDSUKSYMVPOOAH-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862517 369552364 /nfs/dbraw/zinc/55/23/64/369552364.db2.gz QHLLLUMUCQPITK-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862517 369552367 /nfs/dbraw/zinc/55/23/67/369552367.db2.gz QHLLLUMUCQPITK-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251956395 369995436 /nfs/dbraw/zinc/99/54/36/369995436.db2.gz XGEVPLPXPWGJRK-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251956395 369995440 /nfs/dbraw/zinc/99/54/40/369995440.db2.gz XGEVPLPXPWGJRK-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)s1 ZINC000568239385 326332691 /nfs/dbraw/zinc/33/26/91/326332691.db2.gz KYGXYDUFSQUVKZ-UHFFFAOYSA-N 2 2 224.373 2.239 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)n1C ZINC000623741138 371076751 /nfs/dbraw/zinc/07/67/51/371076751.db2.gz KPJQIIRBCSUSEJ-DABQJJPHSA-N 2 2 233.359 2.254 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC23CC3)n1C ZINC000623825612 371113950 /nfs/dbraw/zinc/11/39/50/371113950.db2.gz GYUXKEVXSAMGKY-LBPRGKRZSA-N 2 2 233.359 2.398 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CCCCO1 ZINC000623858131 371128974 /nfs/dbraw/zinc/12/89/74/371128974.db2.gz CWIVJURJIHXACP-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC001642790964 1172404432 /nfs/dbraw/zinc/40/44/32/1172404432.db2.gz KEIAVDLSFXYQCF-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC001642790964 1172404436 /nfs/dbraw/zinc/40/44/36/1172404436.db2.gz KEIAVDLSFXYQCF-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)n1 ZINC000623987787 371221137 /nfs/dbraw/zinc/22/11/37/371221137.db2.gz OJQRCYPOKDHEAM-GXSJLCMTSA-N 2 2 241.404 2.300 20 0 BEADLP Cc1csc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)n1 ZINC000623987789 371221248 /nfs/dbraw/zinc/22/12/48/371221248.db2.gz OJQRCYPOKDHEAM-MWLCHTKSSA-N 2 2 241.404 2.300 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000624101359 371307732 /nfs/dbraw/zinc/30/77/32/371307732.db2.gz AVVMUYKHQGXXDT-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000624101359 371307736 /nfs/dbraw/zinc/30/77/36/371307736.db2.gz AVVMUYKHQGXXDT-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C ZINC000624101363 371308144 /nfs/dbraw/zinc/30/81/44/371308144.db2.gz BBVDICZXIZGCIY-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C ZINC000624101363 371308147 /nfs/dbraw/zinc/30/81/47/371308147.db2.gz BBVDICZXIZGCIY-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP CCOC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189132 371376226 /nfs/dbraw/zinc/37/62/26/371376226.db2.gz ZZBGSGYWCGGWQU-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189132 371376231 /nfs/dbraw/zinc/37/62/31/371376231.db2.gz ZZBGSGYWCGGWQU-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000624271726 371449828 /nfs/dbraw/zinc/44/98/28/371449828.db2.gz AVVMUYKHQGXXDT-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000624271726 371449836 /nfs/dbraw/zinc/44/98/36/371449836.db2.gz AVVMUYKHQGXXDT-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP COc1ccc[nH+]c1NCCCC[N@H+](C)C1CC1 ZINC000624267652 371450041 /nfs/dbraw/zinc/45/00/41/371450041.db2.gz VJVAZMYAFHFCHO-UHFFFAOYSA-N 2 2 249.358 2.377 20 0 BEADLP COc1ccc[nH+]c1NCCCC[N@@H+](C)C1CC1 ZINC000624267652 371450047 /nfs/dbraw/zinc/45/00/47/371450047.db2.gz VJVAZMYAFHFCHO-UHFFFAOYSA-N 2 2 249.358 2.377 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624271754 371450206 /nfs/dbraw/zinc/45/02/06/371450206.db2.gz CNGHRRQPCDGSJF-RFQIPJPRSA-N 2 2 236.403 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624271754 371450214 /nfs/dbraw/zinc/45/02/14/371450214.db2.gz CNGHRRQPCDGSJF-RFQIPJPRSA-N 2 2 236.403 2.495 20 0 BEADLP COCCCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227278455 371822393 /nfs/dbraw/zinc/82/23/93/371822393.db2.gz BBVDEFASVTWNDU-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP COCCCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227278455 371822402 /nfs/dbraw/zinc/82/24/02/371822402.db2.gz BBVDEFASVTWNDU-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000163684036 372030442 /nfs/dbraw/zinc/03/04/42/372030442.db2.gz KDKLNLBYUJOMKS-STQMWFEESA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000163684036 372030447 /nfs/dbraw/zinc/03/04/47/372030447.db2.gz KDKLNLBYUJOMKS-STQMWFEESA-N 2 2 208.349 2.027 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC(C)(C)C)C1 ZINC000163792754 372055868 /nfs/dbraw/zinc/05/58/68/372055868.db2.gz MCDUZCRBWVSAIE-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC(C)(C)C)C1 ZINC000163792754 372055872 /nfs/dbraw/zinc/05/58/72/372055872.db2.gz MCDUZCRBWVSAIE-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000631207535 372236725 /nfs/dbraw/zinc/23/67/25/372236725.db2.gz VITMQSXSZPBYQE-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000631207535 372236732 /nfs/dbraw/zinc/23/67/32/372236732.db2.gz VITMQSXSZPBYQE-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c(C)n1 ZINC000631826695 372606269 /nfs/dbraw/zinc/60/62/69/372606269.db2.gz UZKQWMWHLSWCAO-OAHLLOKOSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@H](C[NH3+])C2CC2)c(C)n1 ZINC000631826695 372606277 /nfs/dbraw/zinc/60/62/77/372606277.db2.gz UZKQWMWHLSWCAO-OAHLLOKOSA-N 2 2 247.386 2.176 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](CCC2CCC2)C1 ZINC000631834691 372620159 /nfs/dbraw/zinc/62/01/59/372620159.db2.gz DDLWKPNSGIGICP-ZDUSSCGKSA-N 2 2 210.365 2.380 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](CCC2CCC2)C1 ZINC000631834691 372620163 /nfs/dbraw/zinc/62/01/63/372620163.db2.gz DDLWKPNSGIGICP-ZDUSSCGKSA-N 2 2 210.365 2.380 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834906 372621401 /nfs/dbraw/zinc/62/14/01/372621401.db2.gz HZLAWQHHKAOEEA-CYBMUJFWSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cccnc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834906 372621404 /nfs/dbraw/zinc/62/14/04/372621404.db2.gz HZLAWQHHKAOEEA-CYBMUJFWSA-N 2 2 233.359 2.093 20 0 BEADLP CCc1cccc(OCC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631857507 372656586 /nfs/dbraw/zinc/65/65/86/372656586.db2.gz JNWPMGUPKQVBMP-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP CCc1cccc(OCC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631857507 372656591 /nfs/dbraw/zinc/65/65/91/372656591.db2.gz JNWPMGUPKQVBMP-JSGCOSHPSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c(C)n1 ZINC000631826694 372605705 /nfs/dbraw/zinc/60/57/05/372605705.db2.gz UZKQWMWHLSWCAO-HNNXBMFYSA-N 2 2 247.386 2.176 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c(C)n1 ZINC000631826694 372605709 /nfs/dbraw/zinc/60/57/09/372605709.db2.gz UZKQWMWHLSWCAO-HNNXBMFYSA-N 2 2 247.386 2.176 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861554 372661433 /nfs/dbraw/zinc/66/14/33/372661433.db2.gz DHCBVCLXUYVERH-CMPLNLGQSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631861554 372661437 /nfs/dbraw/zinc/66/14/37/372661437.db2.gz DHCBVCLXUYVERH-CMPLNLGQSA-N 2 2 236.384 2.330 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861379 372661751 /nfs/dbraw/zinc/66/17/51/372661751.db2.gz ACFAGMZOXQCAAK-BXUZGUMPSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631861379 372661755 /nfs/dbraw/zinc/66/17/55/372661755.db2.gz ACFAGMZOXQCAAK-BXUZGUMPSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1ccccc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869017 372672001 /nfs/dbraw/zinc/67/20/01/372672001.db2.gz DROABNLYLOXJDB-CABCVRRESA-N 2 2 230.355 2.227 20 0 BEADLP C[C@@H]([NH3+])c1cccc(-c2[nH+]ccn2C)c1 ZINC000069027487 373107313 /nfs/dbraw/zinc/10/73/13/373107313.db2.gz OURVLDNGXZWWKE-SECBINFHSA-N 2 2 201.273 2.107 20 0 BEADLP CC(C)CSCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336657472 206018704 /nfs/dbraw/zinc/01/87/04/206018704.db2.gz IKJUCHPETLUFQP-QWHCGFSZSA-N 2 2 244.448 2.305 20 0 BEADLP CC(C)CSCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336657472 206018707 /nfs/dbraw/zinc/01/87/07/206018707.db2.gz IKJUCHPETLUFQP-QWHCGFSZSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424193641 206035792 /nfs/dbraw/zinc/03/57/92/206035792.db2.gz KMCZYSICOOMDDU-YXCITZCRSA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424193641 206035795 /nfs/dbraw/zinc/03/57/95/206035795.db2.gz KMCZYSICOOMDDU-YXCITZCRSA-N 2 2 222.376 2.105 20 0 BEADLP OCCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000077466838 183063003 /nfs/dbraw/zinc/06/30/03/183063003.db2.gz RBWVQLYPYDXANC-AWEZNQCLSA-N 2 2 245.326 2.013 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000093741900 169077750 /nfs/dbraw/zinc/07/77/50/169077750.db2.gz FDCLHFRPNSRHJC-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000093741900 169077752 /nfs/dbraw/zinc/07/77/52/169077752.db2.gz FDCLHFRPNSRHJC-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093741900 169077754 /nfs/dbraw/zinc/07/77/54/169077754.db2.gz FDCLHFRPNSRHJC-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093741900 169077756 /nfs/dbraw/zinc/07/77/56/169077756.db2.gz FDCLHFRPNSRHJC-CYBMUJFWSA-N 2 2 236.359 2.443 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1conc1C ZINC000353524779 169155560 /nfs/dbraw/zinc/15/55/60/169155560.db2.gz XAODCKIOBMINGG-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1conc1C ZINC000353524779 169155561 /nfs/dbraw/zinc/15/55/61/169155561.db2.gz XAODCKIOBMINGG-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP Oc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217665340 183292169 /nfs/dbraw/zinc/29/21/69/183292169.db2.gz NODDYNNHDJWLEY-GJZGRUSLSA-N 2 2 246.354 2.109 20 0 BEADLP Oc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217665340 183292172 /nfs/dbraw/zinc/29/21/72/183292172.db2.gz NODDYNNHDJWLEY-GJZGRUSLSA-N 2 2 246.354 2.109 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCOCC3CC3)C2)[nH]1 ZINC000336732550 183327534 /nfs/dbraw/zinc/32/75/34/183327534.db2.gz SMDSEQURLSJECE-ZDUSSCGKSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CCOCC3CC3)C2)[nH]1 ZINC000336732550 183327539 /nfs/dbraw/zinc/32/75/39/183327539.db2.gz SMDSEQURLSJECE-ZDUSSCGKSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH]c([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000162799854 183327760 /nfs/dbraw/zinc/32/77/60/183327760.db2.gz SFBAEIQPRLBJOI-ZDUSSCGKSA-N 2 2 230.315 2.048 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)on1 ZINC000336333320 183343242 /nfs/dbraw/zinc/34/32/42/183343242.db2.gz BYZHWHACICRNBO-CYBMUJFWSA-N 2 2 249.358 2.125 20 0 BEADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)on1 ZINC000336333320 183343243 /nfs/dbraw/zinc/34/32/43/183343243.db2.gz BYZHWHACICRNBO-CYBMUJFWSA-N 2 2 249.358 2.125 20 0 BEADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000076453391 169208800 /nfs/dbraw/zinc/20/88/00/169208800.db2.gz CJBAIICRBIDOFE-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000076453391 169208802 /nfs/dbraw/zinc/20/88/02/169208802.db2.gz CJBAIICRBIDOFE-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccs1 ZINC000053388091 169260516 /nfs/dbraw/zinc/26/05/16/169260516.db2.gz YYEJZLWOFUREBQ-SNVBAGLBSA-N 2 2 212.362 2.398 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000041166578 169318349 /nfs/dbraw/zinc/31/83/49/169318349.db2.gz IQVFFPPIGPQPAZ-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CCCOc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000041166578 169318350 /nfs/dbraw/zinc/31/83/50/169318350.db2.gz IQVFFPPIGPQPAZ-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CCCOc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712504 169320858 /nfs/dbraw/zinc/32/08/58/169320858.db2.gz YFNRNLJKGXVPGE-LLVKDONJSA-N 2 2 222.332 2.085 20 0 BEADLP CCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042546103 169324641 /nfs/dbraw/zinc/32/46/41/169324641.db2.gz CASLEJGPJOUKFE-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042546103 169324643 /nfs/dbraw/zinc/32/46/43/169324643.db2.gz CASLEJGPJOUKFE-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182674292 169365693 /nfs/dbraw/zinc/36/56/93/169365693.db2.gz IDAWCWNONGAHHN-GFCCVEGCSA-N 2 2 209.337 2.394 20 0 BEADLP CCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182674292 169365694 /nfs/dbraw/zinc/36/56/94/169365694.db2.gz IDAWCWNONGAHHN-GFCCVEGCSA-N 2 2 209.337 2.394 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336682066 169361045 /nfs/dbraw/zinc/36/10/45/169361045.db2.gz DFCXYMRZAQLSEX-VXGBXAGGSA-N 2 2 221.348 2.224 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000221853104 134328550 /nfs/dbraw/zinc/32/85/50/134328550.db2.gz PVXLRVINYJDZSY-YNEHKIRRSA-N 2 2 221.348 2.440 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000222060293 134329380 /nfs/dbraw/zinc/32/93/80/134329380.db2.gz FBKPFOKVPGGGRU-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000222060293 134329381 /nfs/dbraw/zinc/32/93/81/134329381.db2.gz FBKPFOKVPGGGRU-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400356494 533008830 /nfs/dbraw/zinc/00/88/30/533008830.db2.gz BJDCPAXWYXNAND-OUCADQQQSA-N 2 2 248.370 2.486 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400356493 533009178 /nfs/dbraw/zinc/00/91/78/533009178.db2.gz BJDCPAXWYXNAND-OBJOEFQTSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CCCn1cc[nH+]c1 ZINC000069665943 383836801 /nfs/dbraw/zinc/83/68/01/383836801.db2.gz CLWXKTDRDQYGEN-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP C[N@H+](Cc1ccc(Cl)s1)C1CC([NH3+])C1 ZINC000087653329 383857396 /nfs/dbraw/zinc/85/73/96/383857396.db2.gz IRZHGIJKCNSWPG-UHFFFAOYSA-N 2 2 230.764 2.323 20 0 BEADLP C[N@@H+](Cc1ccc(Cl)s1)C1CC([NH3+])C1 ZINC000087653329 383857402 /nfs/dbraw/zinc/85/74/02/383857402.db2.gz IRZHGIJKCNSWPG-UHFFFAOYSA-N 2 2 230.764 2.323 20 0 BEADLP CC(C)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000070613929 383937749 /nfs/dbraw/zinc/93/77/49/383937749.db2.gz HCEAXXVEHLFYRP-LBPRGKRZSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000070613929 383937754 /nfs/dbraw/zinc/93/77/54/383937754.db2.gz HCEAXXVEHLFYRP-LBPRGKRZSA-N 2 2 212.381 2.482 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc2c(c1)CCO2 ZINC000037184137 383954918 /nfs/dbraw/zinc/95/49/18/383954918.db2.gz BXIFLRUEEBJUKN-CQSZACIVSA-N 2 2 248.370 2.224 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000643545208 384011574 /nfs/dbraw/zinc/01/15/74/384011574.db2.gz NOEKRTSYFXDWBV-GXSJLCMTSA-N 2 2 239.388 2.244 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718638 384012989 /nfs/dbraw/zinc/01/29/89/384012989.db2.gz XYVGJFMJDSKPMR-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718638 384012994 /nfs/dbraw/zinc/01/29/94/384012994.db2.gz XYVGJFMJDSKPMR-CHWSQXEVSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CNc1ccc([NH+](C)C)cc1 ZINC000090165331 384031265 /nfs/dbraw/zinc/03/12/65/384031265.db2.gz KWXWVIQWCBZSFD-UHFFFAOYSA-N 2 2 230.315 2.098 20 0 BEADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)[nH+]1 ZINC000375721085 384106140 /nfs/dbraw/zinc/10/61/40/384106140.db2.gz UTIVSKQVHJSBSJ-ZDUSSCGKSA-N 2 2 247.342 2.282 20 0 BEADLP Cc1ccc(CCC[NH2+]C(CF)CF)c[nH+]1 ZINC000449382321 384109649 /nfs/dbraw/zinc/10/96/49/384109649.db2.gz WGTHRLOWQPFXLJ-UHFFFAOYSA-N 2 2 228.286 2.220 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cnccn1 ZINC000070477564 384110709 /nfs/dbraw/zinc/11/07/09/384110709.db2.gz LFHLYWUUIHZZLK-ZDUSSCGKSA-N 2 2 248.374 2.003 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000132121108 384111492 /nfs/dbraw/zinc/11/14/92/384111492.db2.gz RYZSRBUZGZJLGB-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000070535964 384116255 /nfs/dbraw/zinc/11/62/55/384116255.db2.gz QEIBCEFKDVXMDH-LBPRGKRZSA-N 2 2 248.374 2.000 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CC3)CCC1 ZINC000569501523 384136795 /nfs/dbraw/zinc/13/67/95/384136795.db2.gz CWOSAYRRUIHYDO-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000040624133 384157323 /nfs/dbraw/zinc/15/73/23/384157323.db2.gz YACYDBUGRRMHHN-GFCCVEGCSA-N 2 2 219.332 2.224 20 0 BEADLP CC(C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000040624133 384157328 /nfs/dbraw/zinc/15/73/28/384157328.db2.gz YACYDBUGRRMHHN-GFCCVEGCSA-N 2 2 219.332 2.224 20 0 BEADLP Cc1ccoc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253806 384171887 /nfs/dbraw/zinc/17/18/87/384171887.db2.gz ZWUJGYFNTXFZNM-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccoc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253806 384171891 /nfs/dbraw/zinc/17/18/91/384171891.db2.gz ZWUJGYFNTXFZNM-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccoc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253806 384171896 /nfs/dbraw/zinc/17/18/96/384171896.db2.gz ZWUJGYFNTXFZNM-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccoc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253806 384171898 /nfs/dbraw/zinc/17/18/98/384171898.db2.gz ZWUJGYFNTXFZNM-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041042007 384174942 /nfs/dbraw/zinc/17/49/42/384174942.db2.gz TWPZMMIDJVNXRY-LBPRGKRZSA-N 2 2 215.300 2.234 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313264496 384176716 /nfs/dbraw/zinc/17/67/16/384176716.db2.gz GCJZAGXYPPYHDK-LBPRGKRZSA-N 2 2 223.364 2.377 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000041064000 384176779 /nfs/dbraw/zinc/17/67/79/384176779.db2.gz OIYQSLWQTBLTQX-DGCLKSJQSA-N 2 2 245.326 2.389 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000235440047 384231682 /nfs/dbraw/zinc/23/16/82/384231682.db2.gz JCBVYHCGUWQUBB-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000235440047 384231689 /nfs/dbraw/zinc/23/16/89/384231689.db2.gz JCBVYHCGUWQUBB-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP CCc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313293410 384236239 /nfs/dbraw/zinc/23/62/39/384236239.db2.gz IVSJTPNLLDLQIZ-UHFFFAOYSA-N 2 2 243.354 2.315 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313295570 384238382 /nfs/dbraw/zinc/23/83/82/384238382.db2.gz KKAUCXNDHAWZTO-DYEKYZERSA-N 2 2 235.375 2.377 20 0 BEADLP CCSCC[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000132023223 384209486 /nfs/dbraw/zinc/20/94/86/384209486.db2.gz UNIWSXNXARHYLE-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CCSCC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000132023223 384209495 /nfs/dbraw/zinc/20/94/95/384209495.db2.gz UNIWSXNXARHYLE-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP Cc1ccc(NCc2[nH]cc[nH+]2)c(C[NH+](C)C)c1 ZINC000132639751 384240769 /nfs/dbraw/zinc/24/07/69/384240769.db2.gz JSEWYWUJHNJBOR-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000313278985 384228199 /nfs/dbraw/zinc/22/81/99/384228199.db2.gz HIVPAMZKMMNQBG-LLVKDONJSA-N 2 2 221.348 2.131 20 0 BEADLP CCC[N@H+](CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000082425355 384228801 /nfs/dbraw/zinc/22/88/01/384228801.db2.gz IQMZZBITOAUWPO-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[N@@H+](CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000082425355 384228806 /nfs/dbraw/zinc/22/88/06/384228806.db2.gz IQMZZBITOAUWPO-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H](C[NH2+]C1CCSCC1)Cn1cc[nH+]c1 ZINC000163699914 384268189 /nfs/dbraw/zinc/26/81/89/384268189.db2.gz ZOJXARIRMMADCX-NSHDSACASA-N 2 2 239.388 2.004 20 0 BEADLP C[C@H](C[NH2+]C1CCSCC1)Cn1cc[nH+]c1 ZINC000163700027 384268286 /nfs/dbraw/zinc/26/82/86/384268286.db2.gz ZOJXARIRMMADCX-LLVKDONJSA-N 2 2 239.388 2.004 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@@H]1C ZINC000313300212 384241895 /nfs/dbraw/zinc/24/18/95/384241895.db2.gz OGUGQJXXFQJMRP-AGIUHOORSA-N 2 2 235.375 2.377 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC000094666076 384311676 /nfs/dbraw/zinc/31/16/76/384311676.db2.gz KLRIXTBZCAXZKX-NWDGAFQWSA-N 2 2 247.342 2.154 20 0 BEADLP Cc1ccc(NC(=O)CC2CC[NH2+]CC2)c(C)[nH+]1 ZINC000094666064 384311696 /nfs/dbraw/zinc/31/16/96/384311696.db2.gz GCDIWKOZNYATTO-UHFFFAOYSA-N 2 2 247.342 2.027 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000083056018 384278693 /nfs/dbraw/zinc/27/86/93/384278693.db2.gz AINNOVRDOBGFJC-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000083054803 384278714 /nfs/dbraw/zinc/27/87/14/384278714.db2.gz RXDZPSFPRLHMCO-GFCCVEGCSA-N 2 2 207.321 2.051 20 0 BEADLP CCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040770991 384283790 /nfs/dbraw/zinc/28/37/90/384283790.db2.gz AFDZHPPNGHUSCX-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1nccs1 ZINC000083143168 384284956 /nfs/dbraw/zinc/28/49/56/384284956.db2.gz CVQUGPMGCSNYSV-NXEZZACHSA-N 2 2 227.377 2.134 20 0 BEADLP CCSCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000119631789 384290231 /nfs/dbraw/zinc/29/02/31/384290231.db2.gz LRSDHUSJGMIZFL-UHFFFAOYSA-N 2 2 239.388 2.273 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]CC(C)C)cn21 ZINC000647262266 384291125 /nfs/dbraw/zinc/29/11/25/384291125.db2.gz PKXVYFYSFCLSHT-UHFFFAOYSA-N 2 2 231.343 2.431 20 0 BEADLP Cc1ccc(F)c(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000335477283 384292340 /nfs/dbraw/zinc/29/23/40/384292340.db2.gz GDMDJZMDUXHYSL-UHFFFAOYSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)c(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000335477283 384292344 /nfs/dbraw/zinc/29/23/44/384292344.db2.gz GDMDJZMDUXHYSL-UHFFFAOYSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC(F)F ZINC000647225868 384373895 /nfs/dbraw/zinc/37/38/95/384373895.db2.gz GOWQIHIDASLHKR-HBNTYKKESA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC(F)F ZINC000647225868 384373901 /nfs/dbraw/zinc/37/39/01/384373901.db2.gz GOWQIHIDASLHKR-HBNTYKKESA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000095068357 384330745 /nfs/dbraw/zinc/33/07/45/384330745.db2.gz BNRABSUPQIDUSU-ZJUUUORDSA-N 2 2 210.346 2.151 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684266 384390716 /nfs/dbraw/zinc/39/07/16/384390716.db2.gz JXNLTSXVMFUDCH-JSGCOSHPSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235684266 384390719 /nfs/dbraw/zinc/39/07/19/384390719.db2.gz JXNLTSXVMFUDCH-JSGCOSHPSA-N 2 2 218.344 2.082 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000223199999 384446932 /nfs/dbraw/zinc/44/69/32/384446932.db2.gz KJOZPBRTQWOSKY-VXGBXAGGSA-N 2 2 238.350 2.296 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1ccsc1Cl ZINC000312750457 384459624 /nfs/dbraw/zinc/45/96/24/384459624.db2.gz UQKYEAOVCJECPJ-UHFFFAOYSA-N 2 2 218.753 2.101 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cscn1 ZINC000161155747 384469460 /nfs/dbraw/zinc/46/94/60/384469460.db2.gz GDYUOKLBEKLRQL-NXEZZACHSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2c[nH+]cn2C)o1 ZINC000263845680 384499942 /nfs/dbraw/zinc/49/99/42/384499942.db2.gz KCVNULWSHBFLEB-GXFFZTMASA-N 2 2 245.326 2.426 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000335034041 384505340 /nfs/dbraw/zinc/50/53/40/384505340.db2.gz UCJGVETWHRYTFA-TZMCWYRMSA-N 2 2 234.318 2.155 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000037241323 384490027 /nfs/dbraw/zinc/49/00/27/384490027.db2.gz ZACBMGYUOSEBLQ-AAEUAGOBSA-N 2 2 204.317 2.041 20 0 BEADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000037241323 384490028 /nfs/dbraw/zinc/49/00/28/384490028.db2.gz ZACBMGYUOSEBLQ-AAEUAGOBSA-N 2 2 204.317 2.041 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000097050795 384491813 /nfs/dbraw/zinc/49/18/13/384491813.db2.gz JCWCSKATCIVJMM-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000097050799 384492244 /nfs/dbraw/zinc/49/22/44/384492244.db2.gz GKBWQQSWLKFEGV-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000556833866 384514951 /nfs/dbraw/zinc/51/49/51/384514951.db2.gz NWBACSFLSNBBEM-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000556833866 384514960 /nfs/dbraw/zinc/51/49/60/384514960.db2.gz NWBACSFLSNBBEM-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000123020196 384529272 /nfs/dbraw/zinc/52/92/72/384529272.db2.gz WISKUJRCJLNXNB-SGMGOOAPSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000123020196 384529276 /nfs/dbraw/zinc/52/92/76/384529276.db2.gz WISKUJRCJLNXNB-SGMGOOAPSA-N 2 2 245.370 2.357 20 0 BEADLP CC1(C)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000161833730 384532617 /nfs/dbraw/zinc/53/26/17/384532617.db2.gz PVLNMLPZJPULMZ-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC1(C)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000161833730 384532619 /nfs/dbraw/zinc/53/26/19/384532619.db2.gz PVLNMLPZJPULMZ-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000123260959 384542738 /nfs/dbraw/zinc/54/27/38/384542738.db2.gz IGLJQLBPKHXRDK-AWEZNQCLSA-N 2 2 232.371 2.406 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000123260959 384542741 /nfs/dbraw/zinc/54/27/41/384542741.db2.gz IGLJQLBPKHXRDK-AWEZNQCLSA-N 2 2 232.371 2.406 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000150082789 384558450 /nfs/dbraw/zinc/55/84/50/384558450.db2.gz QITVFMDUZHPKDR-JSGCOSHPSA-N 2 2 218.344 2.084 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000150082789 384558460 /nfs/dbraw/zinc/55/84/60/384558460.db2.gz QITVFMDUZHPKDR-JSGCOSHPSA-N 2 2 218.344 2.084 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000309731170 384568371 /nfs/dbraw/zinc/56/83/71/384568371.db2.gz BDZREJROSMTINO-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000309731170 384568379 /nfs/dbraw/zinc/56/83/79/384568379.db2.gz BDZREJROSMTINO-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)c1ccc2c(c1)CCC2 ZINC000020083708 384574144 /nfs/dbraw/zinc/57/41/44/384574144.db2.gz AQUCETRQAACONA-LBPRGKRZSA-N 2 2 232.371 2.388 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643069236 384574910 /nfs/dbraw/zinc/57/49/10/384574910.db2.gz PXSOSSFGRXLPNX-HZPDHXFCSA-N 2 2 244.382 2.303 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643069236 384574919 /nfs/dbraw/zinc/57/49/19/384574919.db2.gz PXSOSSFGRXLPNX-HZPDHXFCSA-N 2 2 244.382 2.303 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066807 384581023 /nfs/dbraw/zinc/58/10/23/384581023.db2.gz UCOMCLRZLUKSLO-HOCLYGCPSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066807 384581027 /nfs/dbraw/zinc/58/10/27/384581027.db2.gz UCOMCLRZLUKSLO-HOCLYGCPSA-N 2 2 244.382 2.433 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1cc[nH]c1 ZINC000080773792 384583529 /nfs/dbraw/zinc/58/35/29/384583529.db2.gz OCXAQLFXWBIDJZ-ZDUSSCGKSA-N 2 2 223.364 2.081 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586725 384565049 /nfs/dbraw/zinc/56/50/49/384565049.db2.gz SAHUBZPQTBCVLS-UHIISALHSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000309586725 384565054 /nfs/dbraw/zinc/56/50/54/384565054.db2.gz SAHUBZPQTBCVLS-UHIISALHSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[C@@H]1C ZINC000309767030 384594411 /nfs/dbraw/zinc/59/44/11/384594411.db2.gz JPXRFDCZTUFIIF-SKENRDBWSA-N 2 2 222.376 2.246 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[C@@H]1C ZINC000309767030 384594419 /nfs/dbraw/zinc/59/44/19/384594419.db2.gz JPXRFDCZTUFIIF-SKENRDBWSA-N 2 2 222.376 2.246 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000647538762 384671516 /nfs/dbraw/zinc/67/15/16/384671516.db2.gz GWAFSCGLHZBCLM-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP Cc1ccc(F)cc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000647538762 384671525 /nfs/dbraw/zinc/67/15/25/384671525.db2.gz GWAFSCGLHZBCLM-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP C[N@H+](Cc1ccsc1)C1(C[NH3+])CCC1 ZINC000086474968 384655536 /nfs/dbraw/zinc/65/55/36/384655536.db2.gz DUGRNZPNWSAUAD-UHFFFAOYSA-N 2 2 210.346 2.061 20 0 BEADLP C[N@@H+](Cc1ccsc1)C1(C[NH3+])CCC1 ZINC000086474968 384655541 /nfs/dbraw/zinc/65/55/41/384655541.db2.gz DUGRNZPNWSAUAD-UHFFFAOYSA-N 2 2 210.346 2.061 20 0 BEADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccnc1 ZINC000184868380 384660237 /nfs/dbraw/zinc/66/02/37/384660237.db2.gz HOTWVRRJCIRYNR-AWEZNQCLSA-N 2 2 244.342 2.409 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c(C)s1 ZINC000086727555 384678715 /nfs/dbraw/zinc/67/87/15/384678715.db2.gz TZHDUSHYGYLFGO-KOLCDFICSA-N 2 2 224.373 2.377 20 0 BEADLP Cc1c[nH+]c(CNc2ccc(C)c[nH+]2)n1C ZINC000309883455 384691778 /nfs/dbraw/zinc/69/17/78/384691778.db2.gz WTXRAXKUWIDTIW-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP C[NH+](C)CC1(C[NH2+]Cc2ccco2)CCCC1 ZINC000185291826 384700052 /nfs/dbraw/zinc/70/00/52/384700052.db2.gz HYUVQDOAAUDRSS-UHFFFAOYSA-N 2 2 236.359 2.491 20 0 BEADLP Cn1cc[nH+]c1CNc1cc[nH+]cc1Cl ZINC000086839280 384701173 /nfs/dbraw/zinc/70/11/73/384701173.db2.gz RANXYUHDJIOZFF-UHFFFAOYSA-N 2 2 222.679 2.081 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+]CC[NH+](C)C ZINC000042222271 384776733 /nfs/dbraw/zinc/77/67/33/384776733.db2.gz LLYUZKOGHYBJKX-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@H]1C[NH2+]C[C@@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000647546476 384729576 /nfs/dbraw/zinc/72/95/76/384729576.db2.gz MBPJNPLOJIBPGI-RISCZKNCSA-N 2 2 245.370 2.455 20 0 BEADLP C[C@@H]1C[NH2+]C[C@@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000647546475 384731639 /nfs/dbraw/zinc/73/16/39/384731639.db2.gz MBPJNPLOJIBPGI-FZMZJTMJSA-N 2 2 245.370 2.455 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)ccc1C ZINC000647549309 384744876 /nfs/dbraw/zinc/74/48/76/384744876.db2.gz SGVHKHGZEIVDGE-FZMZJTMJSA-N 2 2 248.370 2.091 20 0 BEADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000057953718 384746364 /nfs/dbraw/zinc/74/63/64/384746364.db2.gz KELPQOLSBSDWPS-OAHLLOKOSA-N 2 2 232.371 2.386 20 0 BEADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000057953718 384746369 /nfs/dbraw/zinc/74/63/69/384746369.db2.gz KELPQOLSBSDWPS-OAHLLOKOSA-N 2 2 232.371 2.386 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000185632835 384749421 /nfs/dbraw/zinc/74/94/21/384749421.db2.gz OYUPROJFPIFWDV-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1CCn1cc[nH+]c1 ZINC000185632835 384749425 /nfs/dbraw/zinc/74/94/25/384749425.db2.gz OYUPROJFPIFWDV-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000084946798 384770394 /nfs/dbraw/zinc/77/03/94/384770394.db2.gz AORKXTPXHKKJDW-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000084946798 384770399 /nfs/dbraw/zinc/77/03/99/384770399.db2.gz AORKXTPXHKKJDW-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554321 384771095 /nfs/dbraw/zinc/77/10/95/384771095.db2.gz WRLKTMZYGGGVLV-CQSZACIVSA-N 2 2 230.355 2.451 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000312879680 384825211 /nfs/dbraw/zinc/82/52/11/384825211.db2.gz PBXZGOVOWJWSHU-RQJHMYQMSA-N 2 2 218.753 2.227 20 0 BEADLP Cc1ccc(N[C@H](C)[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000335051597 384782863 /nfs/dbraw/zinc/78/28/63/384782863.db2.gz SQVFRGJUMYTJGJ-DGCLKSJQSA-N 2 2 219.332 2.333 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000105480550 384784194 /nfs/dbraw/zinc/78/41/94/384784194.db2.gz SGEXVEWJKONMJG-FZMZJTMJSA-N 2 2 236.334 2.256 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000105480550 384784202 /nfs/dbraw/zinc/78/42/02/384784202.db2.gz SGEXVEWJKONMJG-FZMZJTMJSA-N 2 2 236.334 2.256 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000335644673 384801571 /nfs/dbraw/zinc/80/15/71/384801571.db2.gz XBJXOTQPNIIXQC-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC000403686408 384850518 /nfs/dbraw/zinc/85/05/18/384850518.db2.gz RDWMSCCULQHINT-MCIONIFRSA-N 2 2 236.403 2.497 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403769093 384858125 /nfs/dbraw/zinc/85/81/25/384858125.db2.gz TZPRAFDTTMNOBS-MCIONIFRSA-N 2 2 222.376 2.108 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000251043201 384911741 /nfs/dbraw/zinc/91/17/41/384911741.db2.gz CZQXXFJWHSPESL-CHWSQXEVSA-N 2 2 222.307 2.310 20 0 BEADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000251043201 384911752 /nfs/dbraw/zinc/91/17/52/384911752.db2.gz CZQXXFJWHSPESL-CHWSQXEVSA-N 2 2 222.307 2.310 20 0 BEADLP COc1c(C)cc(C[N@H+](C)C[C@H](C)[NH3+])cc1C ZINC000258688149 384931316 /nfs/dbraw/zinc/93/13/16/384931316.db2.gz FOTZRLIGFULWGG-LBPRGKRZSA-N 2 2 236.359 2.091 20 0 BEADLP COc1c(C)cc(C[N@@H+](C)C[C@H](C)[NH3+])cc1C ZINC000258688149 384931321 /nfs/dbraw/zinc/93/13/21/384931321.db2.gz FOTZRLIGFULWGG-LBPRGKRZSA-N 2 2 236.359 2.091 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358325541 384968913 /nfs/dbraw/zinc/96/89/13/384968913.db2.gz FFAITCFLAZXGEJ-WFASDCNBSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358325541 384968916 /nfs/dbraw/zinc/96/89/16/384968916.db2.gz FFAITCFLAZXGEJ-WFASDCNBSA-N 2 2 248.370 2.043 20 0 BEADLP CC[C@@H](C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000309999476 385013714 /nfs/dbraw/zinc/01/37/14/385013714.db2.gz DHFRDTADGNCDSI-LLVKDONJSA-N 2 2 221.348 2.355 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)C[NH+](C)C ZINC000300924692 385058774 /nfs/dbraw/zinc/05/87/74/385058774.db2.gz NEBCIIYKONLYLI-NEPJUHHUSA-N 2 2 200.370 2.208 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)s1 ZINC000128418156 385034780 /nfs/dbraw/zinc/03/47/80/385034780.db2.gz YXLJSYANKYDLRW-WCQYABFASA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)s1 ZINC000128418156 385034788 /nfs/dbraw/zinc/03/47/88/385034788.db2.gz YXLJSYANKYDLRW-WCQYABFASA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC000261589285 385035620 /nfs/dbraw/zinc/03/56/20/385035620.db2.gz WFZQKXUPROKMBP-LBPRGKRZSA-N 2 2 247.342 2.169 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)nc1 ZINC000152279349 385042259 /nfs/dbraw/zinc/04/22/59/385042259.db2.gz GSSBFVRPWKOUMU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)nc1 ZINC000152279349 385042266 /nfs/dbraw/zinc/04/22/66/385042266.db2.gz GSSBFVRPWKOUMU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)nc1 ZINC000152279349 385042271 /nfs/dbraw/zinc/04/22/71/385042271.db2.gz GSSBFVRPWKOUMU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000152279349 385042275 /nfs/dbraw/zinc/04/22/75/385042275.db2.gz GSSBFVRPWKOUMU-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)nc1 ZINC000152279257 385043457 /nfs/dbraw/zinc/04/34/57/385043457.db2.gz GSSBFVRPWKOUMU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)nc1 ZINC000152279257 385043462 /nfs/dbraw/zinc/04/34/62/385043462.db2.gz GSSBFVRPWKOUMU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)nc1 ZINC000152279257 385043466 /nfs/dbraw/zinc/04/34/66/385043466.db2.gz GSSBFVRPWKOUMU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000152279257 385043472 /nfs/dbraw/zinc/04/34/72/385043472.db2.gz GSSBFVRPWKOUMU-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000165422348 385121546 /nfs/dbraw/zinc/12/15/46/385121546.db2.gz VXOJNCYAYSDWLR-RYUDHWBXSA-N 2 2 222.332 2.242 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@@H](C)C[C@H](O)C2)c[nH+]1 ZINC000449769136 385191635 /nfs/dbraw/zinc/19/16/35/385191635.db2.gz CSNFOIOOODDMRQ-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@@H](C)C[C@H](O)C2)c[nH+]1 ZINC000449769136 385191642 /nfs/dbraw/zinc/19/16/42/385191642.db2.gz CSNFOIOOODDMRQ-WFASDCNBSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@H](O)C[C@H](C)C2)c[nH+]1 ZINC000449769135 385191732 /nfs/dbraw/zinc/19/17/32/385191732.db2.gz CSNFOIOOODDMRQ-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@H](O)C[C@H](C)C2)c[nH+]1 ZINC000449769135 385191737 /nfs/dbraw/zinc/19/17/37/385191737.db2.gz CSNFOIOOODDMRQ-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000177204814 385198191 /nfs/dbraw/zinc/19/81/91/385198191.db2.gz DDVDUBFWNOBCLJ-LLVKDONJSA-N 2 2 229.327 2.265 20 0 BEADLP CCC[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000176761597 385144596 /nfs/dbraw/zinc/14/45/96/385144596.db2.gz FNKDKCAAIQLMQK-UHFFFAOYSA-N 2 2 239.750 2.267 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000647482279 385200867 /nfs/dbraw/zinc/20/08/67/385200867.db2.gz VIBQXPLUDXIMMX-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000647482279 385200875 /nfs/dbraw/zinc/20/08/75/385200875.db2.gz VIBQXPLUDXIMMX-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[NH+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000308803337 385176782 /nfs/dbraw/zinc/17/67/82/385176782.db2.gz LPXSZHCETNJHIK-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000647481347 385179701 /nfs/dbraw/zinc/17/97/01/385179701.db2.gz PEEIYEPKZUWEEO-AWEZNQCLSA-N 2 2 232.371 2.258 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC(C)(C)c2ccccc2)C1 ZINC000647481347 385179706 /nfs/dbraw/zinc/17/97/06/385179706.db2.gz PEEIYEPKZUWEEO-AWEZNQCLSA-N 2 2 232.371 2.258 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000044685034 385219228 /nfs/dbraw/zinc/21/92/28/385219228.db2.gz AUNTWQFMFWBFAG-GFCCVEGCSA-N 2 2 208.349 2.145 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000044685034 385219240 /nfs/dbraw/zinc/21/92/40/385219240.db2.gz AUNTWQFMFWBFAG-GFCCVEGCSA-N 2 2 208.349 2.145 20 0 BEADLP CCCC[C@H](CC)[NH2+]CC[N@H+](C)CC ZINC000068987621 385234103 /nfs/dbraw/zinc/23/41/03/385234103.db2.gz RTENCSHZZVAEJP-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP CCCC[C@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000068987621 385234106 /nfs/dbraw/zinc/23/41/06/385234106.db2.gz RTENCSHZZVAEJP-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C)C1CC1 ZINC000308884195 385239992 /nfs/dbraw/zinc/23/99/92/385239992.db2.gz FWABPEWANDGISF-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C)C1CC1 ZINC000308884195 385239996 /nfs/dbraw/zinc/23/99/96/385239996.db2.gz FWABPEWANDGISF-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C[NH2+]Cc1ncc(Cl)s1)C[NH+](C)C ZINC000308875436 385242950 /nfs/dbraw/zinc/24/29/50/385242950.db2.gz CVOOGALRGCPFAE-QMMMGPOBSA-N 2 2 247.795 2.084 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000130375690 385244222 /nfs/dbraw/zinc/24/42/22/385244222.db2.gz DPPPUYGUCYUXLN-UHFFFAOYSA-N 2 2 229.327 2.405 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000130375690 385244229 /nfs/dbraw/zinc/24/42/29/385244229.db2.gz DPPPUYGUCYUXLN-UHFFFAOYSA-N 2 2 229.327 2.405 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019843375 385257754 /nfs/dbraw/zinc/25/77/54/385257754.db2.gz CESZHGQRAMAWTC-ZDUSSCGKSA-N 2 2 222.307 2.139 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000019843375 385257759 /nfs/dbraw/zinc/25/77/59/385257759.db2.gz CESZHGQRAMAWTC-ZDUSSCGKSA-N 2 2 222.307 2.139 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000020126804 385307914 /nfs/dbraw/zinc/30/79/14/385307914.db2.gz QUECJDKCNZGLPG-ZDUSSCGKSA-N 2 2 218.344 2.433 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000044527787 385309684 /nfs/dbraw/zinc/30/96/84/385309684.db2.gz HCGPBSOFPVULTN-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000044527787 385309687 /nfs/dbraw/zinc/30/96/87/385309687.db2.gz HCGPBSOFPVULTN-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP CCC[C@H](C)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000308968710 385320120 /nfs/dbraw/zinc/32/01/20/385320120.db2.gz XQODGUZPNTVWCL-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC1CC([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000308906485 385280624 /nfs/dbraw/zinc/28/06/24/385280624.db2.gz CQYSVTBUZWGOAC-VOMCLLRMSA-N 2 2 207.321 2.050 20 0 BEADLP c1cn(C2CC[NH+](C[C@@H]3CCC=CO3)CC2)c[nH+]1 ZINC000191070216 385282261 /nfs/dbraw/zinc/28/22/61/385282261.db2.gz CQJNBBOXBNNWMF-AWEZNQCLSA-N 2 2 247.342 2.213 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000308914702 385282438 /nfs/dbraw/zinc/28/24/38/385282438.db2.gz AYTJQBNWTZVLHQ-GVXVVHGQSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000308914702 385282445 /nfs/dbraw/zinc/28/24/45/385282445.db2.gz AYTJQBNWTZVLHQ-GVXVVHGQSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCC1 ZINC000178783044 385330245 /nfs/dbraw/zinc/33/02/45/385330245.db2.gz CKQLJXCTICSKJW-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCC1 ZINC000178783044 385330252 /nfs/dbraw/zinc/33/02/52/385330252.db2.gz CKQLJXCTICSKJW-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccc(C[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000178473180 385378350 /nfs/dbraw/zinc/37/83/50/385378350.db2.gz RZLVEWUYWBZHPV-UHFFFAOYSA-N 2 2 229.327 2.324 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000178473180 385378354 /nfs/dbraw/zinc/37/83/54/385378354.db2.gz RZLVEWUYWBZHPV-UHFFFAOYSA-N 2 2 229.327 2.324 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309048473 385382110 /nfs/dbraw/zinc/38/21/10/385382110.db2.gz POSPMTYJSSDDGF-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309048473 385382112 /nfs/dbraw/zinc/38/21/12/385382112.db2.gz POSPMTYJSSDDGF-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400801467 533113649 /nfs/dbraw/zinc/11/36/49/533113649.db2.gz USUYENNMOZACLD-JMSVASOKSA-N 2 2 248.370 2.486 20 0 BEADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1C ZINC000194261763 385426621 /nfs/dbraw/zinc/42/66/21/385426621.db2.gz IRPDRQQBDMGODI-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1C ZINC000194261763 385426627 /nfs/dbraw/zinc/42/66/27/385426627.db2.gz IRPDRQQBDMGODI-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CCCCC2)CCC[N@@H+]1C ZINC000309119402 385424720 /nfs/dbraw/zinc/42/47/20/385424720.db2.gz MZHYULCFAWQYIG-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H]1[C@H]([NH2+]C2CCCCC2)CCC[N@H+]1C ZINC000309119402 385424722 /nfs/dbraw/zinc/42/47/22/385424722.db2.gz MZHYULCFAWQYIG-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309120849 385424781 /nfs/dbraw/zinc/42/47/81/385424781.db2.gz NSLBQYBOMHFBCF-WDEREUQCSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309120849 385424785 /nfs/dbraw/zinc/42/47/85/385424785.db2.gz NSLBQYBOMHFBCF-WDEREUQCSA-N 2 2 224.373 2.096 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000309077458 385399628 /nfs/dbraw/zinc/39/96/28/385399628.db2.gz MFBIGHFCDAYCHS-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309077458 385399631 /nfs/dbraw/zinc/39/96/31/385399631.db2.gz MFBIGHFCDAYCHS-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000155689429 385406395 /nfs/dbraw/zinc/40/63/95/385406395.db2.gz XUKMZQLTTLGHSW-LLVKDONJSA-N 2 2 241.404 2.393 20 0 BEADLP CCSCC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000371908906 385419582 /nfs/dbraw/zinc/41/95/82/385419582.db2.gz IJUJINKXARCPQV-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000371908906 385419587 /nfs/dbraw/zinc/41/95/87/385419587.db2.gz IJUJINKXARCPQV-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCCCC1 ZINC000309145413 385438111 /nfs/dbraw/zinc/43/81/11/385438111.db2.gz VBGDIMFFSUUPSX-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCCCC1 ZINC000309145413 385438116 /nfs/dbraw/zinc/43/81/16/385438116.db2.gz VBGDIMFFSUUPSX-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP c1ccc(NCCC[NH2+]C[C@@H]2CCC=CO2)[nH+]c1 ZINC000194565581 385440962 /nfs/dbraw/zinc/44/09/62/385440962.db2.gz ALMHNXRUVWJOCE-ZDUSSCGKSA-N 2 2 247.342 2.166 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000309163434 385445502 /nfs/dbraw/zinc/44/55/02/385445502.db2.gz HYXGKTPPNFNRMJ-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000309163434 385445503 /nfs/dbraw/zinc/44/55/03/385445503.db2.gz HYXGKTPPNFNRMJ-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309167306 385446734 /nfs/dbraw/zinc/44/67/34/385446734.db2.gz JPWUYDUAIQWUBC-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309167306 385446739 /nfs/dbraw/zinc/44/67/39/385446739.db2.gz JPWUYDUAIQWUBC-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(OC)CCCC1 ZINC000319554222 385447461 /nfs/dbraw/zinc/44/74/61/385447461.db2.gz CRTOUGYVGDCWDQ-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1(OC)CCCC1 ZINC000319554222 385447463 /nfs/dbraw/zinc/44/74/63/385447463.db2.gz CRTOUGYVGDCWDQ-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cc(C[NH+](C)C)cc(NCc2[nH]cc[nH+]2)c1 ZINC000156502053 385455484 /nfs/dbraw/zinc/45/54/84/385455484.db2.gz UDDIOQZNUNKCEC-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C)C2)s1 ZINC000053201799 385456815 /nfs/dbraw/zinc/45/68/15/385456815.db2.gz SFAYSOYFPDXIPN-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C)C2)s1 ZINC000053201799 385456819 /nfs/dbraw/zinc/45/68/19/385456819.db2.gz SFAYSOYFPDXIPN-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP c1cn(CCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000182829775 385477056 /nfs/dbraw/zinc/47/70/56/385477056.db2.gz USVUCRNSXKJTSR-OKILXGFUSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000182829775 385477059 /nfs/dbraw/zinc/47/70/59/385477059.db2.gz USVUCRNSXKJTSR-OKILXGFUSA-N 2 2 233.359 2.395 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)[NH+]1CCCC1 ZINC000449078549 385519750 /nfs/dbraw/zinc/51/97/50/385519750.db2.gz VKUWSUIDGCQMLC-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccsc1CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309356248 385548270 /nfs/dbraw/zinc/54/82/70/385548270.db2.gz AFOJIIFAJLVQBM-VXGBXAGGSA-N 2 2 238.400 2.139 20 0 BEADLP Cc1ccsc1CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309356248 385548273 /nfs/dbraw/zinc/54/82/73/385548273.db2.gz AFOJIIFAJLVQBM-VXGBXAGGSA-N 2 2 238.400 2.139 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C(C)C)CS1 ZINC000309401543 385571571 /nfs/dbraw/zinc/57/15/71/385571571.db2.gz WIFIMEIVRBAHDV-STQMWFEESA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C(C)C)CS1 ZINC000309401543 385571572 /nfs/dbraw/zinc/57/15/72/385571572.db2.gz WIFIMEIVRBAHDV-STQMWFEESA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)[C@H]1C ZINC000309468964 385598607 /nfs/dbraw/zinc/59/86/07/385598607.db2.gz QQCRPYIKUDHPQI-MROQNXINSA-N 2 2 242.432 2.058 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)[C@@H]1C ZINC000309468970 385598812 /nfs/dbraw/zinc/59/88/12/385598812.db2.gz QQCRPYIKUDHPQI-NDBYEHHHSA-N 2 2 242.432 2.058 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)[C@@H]1C ZINC000309468959 385599433 /nfs/dbraw/zinc/59/94/33/385599433.db2.gz QQCRPYIKUDHPQI-FVCCEPFGSA-N 2 2 242.432 2.058 20 0 BEADLP CCSCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000309428949 385581182 /nfs/dbraw/zinc/58/11/82/385581182.db2.gz FTGXJUYBRFTUKK-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000309428949 385581183 /nfs/dbraw/zinc/58/11/83/385581183.db2.gz FTGXJUYBRFTUKK-QWHCGFSZSA-N 2 2 244.448 2.450 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccn1 ZINC000181804662 385605612 /nfs/dbraw/zinc/60/56/12/385605612.db2.gz XVGLVVIULJYFAC-QWHCGFSZSA-N 2 2 233.359 2.217 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccn1 ZINC000181804662 385605615 /nfs/dbraw/zinc/60/56/15/385605615.db2.gz XVGLVVIULJYFAC-QWHCGFSZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H](C[NH2+]CC1(SC)CC1)[NH+]1CCCC1 ZINC000336680820 385634994 /nfs/dbraw/zinc/63/49/94/385634994.db2.gz CYLPUXYDHWVEKJ-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336676869 385607508 /nfs/dbraw/zinc/60/75/08/385607508.db2.gz BYNQFMDTDOJSJC-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000336676839 385607540 /nfs/dbraw/zinc/60/75/40/385607540.db2.gz BYGKTXOULSXSPM-NEPJUHHUSA-N 2 2 221.348 2.222 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]CC[NH+](C)C)C[C@@H]1c1ccccc1 ZINC000365131953 385610193 /nfs/dbraw/zinc/61/01/93/385610193.db2.gz KHMLEIWEXPZZSE-QEJZJMRPSA-N 2 2 232.371 2.330 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597174909 385664956 /nfs/dbraw/zinc/66/49/56/385664956.db2.gz ZJYBVVGSOMVHSW-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000597174909 385664964 /nfs/dbraw/zinc/66/49/64/385664964.db2.gz ZJYBVVGSOMVHSW-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000309516990 385648827 /nfs/dbraw/zinc/64/88/27/385648827.db2.gz YYGPHZZCURONOY-DMDPSCGWSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000309516990 385648832 /nfs/dbraw/zinc/64/88/32/385648832.db2.gz YYGPHZZCURONOY-DMDPSCGWSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000309516995 385649775 /nfs/dbraw/zinc/64/97/75/385649775.db2.gz YYGPHZZCURONOY-GVXVVHGQSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000309516995 385649778 /nfs/dbraw/zinc/64/97/78/385649778.db2.gz YYGPHZZCURONOY-GVXVVHGQSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336653228 385665968 /nfs/dbraw/zinc/66/59/68/385665968.db2.gz GCCPGIPKFRKUJL-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336653228 385665972 /nfs/dbraw/zinc/66/59/72/385665972.db2.gz GCCPGIPKFRKUJL-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP c1cn(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000309585838 385717197 /nfs/dbraw/zinc/71/71/97/385717197.db2.gz VMSUHWCEGBTRGX-STQMWFEESA-N 2 2 219.332 2.051 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414853334 385687092 /nfs/dbraw/zinc/68/70/92/385687092.db2.gz XNOIKGOTGVNRKT-CYBMUJFWSA-N 2 2 238.762 2.490 20 0 BEADLP C[C@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@@H]1C ZINC000182789945 385707535 /nfs/dbraw/zinc/70/75/35/385707535.db2.gz ZTZCKXKPZHSHMT-VXGBXAGGSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C ZINC000182789945 385707538 /nfs/dbraw/zinc/70/75/38/385707538.db2.gz ZTZCKXKPZHSHMT-VXGBXAGGSA-N 2 2 239.388 2.099 20 0 BEADLP CC[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182843740 385711511 /nfs/dbraw/zinc/71/15/11/385711511.db2.gz ZKVFJDQJCBRZCO-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP CC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182843740 385711515 /nfs/dbraw/zinc/71/15/15/385711515.db2.gz ZKVFJDQJCBRZCO-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCC1 ZINC000309585243 385716228 /nfs/dbraw/zinc/71/62/28/385716228.db2.gz RNZVHYWEDHWDNH-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336653231 385667253 /nfs/dbraw/zinc/66/72/53/385667253.db2.gz GCCPGIPKFRKUJL-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336653231 385667258 /nfs/dbraw/zinc/66/72/58/385667258.db2.gz GCCPGIPKFRKUJL-ZIAGYGMSSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414859849 385738928 /nfs/dbraw/zinc/73/89/28/385738928.db2.gz BNYIJDURICNBJH-GFCCVEGCSA-N 2 2 238.762 2.490 20 0 BEADLP CSCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183190505 385739199 /nfs/dbraw/zinc/73/91/99/385739199.db2.gz VNCLSJQOARNQIG-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CSCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183190505 385739202 /nfs/dbraw/zinc/73/92/02/385739202.db2.gz VNCLSJQOARNQIG-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000183186441 385739394 /nfs/dbraw/zinc/73/93/94/385739394.db2.gz DTTXVODZJSUGRV-UHFFFAOYSA-N 2 2 244.342 2.190 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000183186441 385739397 /nfs/dbraw/zinc/73/93/97/385739397.db2.gz DTTXVODZJSUGRV-UHFFFAOYSA-N 2 2 244.342 2.190 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414863196 385751849 /nfs/dbraw/zinc/75/18/49/385751849.db2.gz IAODBGZDRKLSOR-VCDPDADVSA-N 2 2 216.328 2.041 20 0 BEADLP CC[NH2+]Cc1ccccc1NCc1[nH+]ccn1C ZINC000414861509 385753314 /nfs/dbraw/zinc/75/33/14/385753314.db2.gz FJCBBCRUCGPGBP-UHFFFAOYSA-N 2 2 244.342 2.142 20 0 BEADLP CC[NH+](CC)Cc1cccc2[nH+]ccn21 ZINC000183445189 385762453 /nfs/dbraw/zinc/76/24/53/385762453.db2.gz NHRPOYXUBNCPDW-UHFFFAOYSA-N 2 2 203.289 2.176 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC2(C)C)s1 ZINC000309658967 385778583 /nfs/dbraw/zinc/77/85/83/385778583.db2.gz QSOZXJSHSVSENV-SNVBAGLBSA-N 2 2 239.388 2.093 20 0 BEADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000309660613 385779364 /nfs/dbraw/zinc/77/93/64/385779364.db2.gz ATLIOXGVPXMONX-MCIONIFRSA-N 2 2 222.376 2.251 20 0 BEADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(O)c1 ZINC000270618736 385725255 /nfs/dbraw/zinc/72/52/55/385725255.db2.gz OMEWFVFFOCNUSP-UHFFFAOYSA-N 2 2 248.370 2.310 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(O)c1 ZINC000270618736 385725262 /nfs/dbraw/zinc/72/52/62/385725262.db2.gz OMEWFVFFOCNUSP-UHFFFAOYSA-N 2 2 248.370 2.310 20 0 BEADLP Cn1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271172787 385797907 /nfs/dbraw/zinc/79/79/07/385797907.db2.gz DJJXQHQSXLOADC-UHFFFAOYSA-N 2 2 244.342 2.128 20 0 BEADLP Cc1ccc(CCC[NH2+]C2(C)CC[NH2+]CC2)c[nH+]1 ZINC000414947219 385803066 /nfs/dbraw/zinc/80/30/66/385803066.db2.gz VSHPXDKCLCRAFC-UHFFFAOYSA-N 3 2 247.386 2.054 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000271332780 385819594 /nfs/dbraw/zinc/81/95/94/385819594.db2.gz ATKOESZZYBSNHN-QWHCGFSZSA-N 2 2 244.342 2.326 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000414954772 385829063 /nfs/dbraw/zinc/82/90/63/385829063.db2.gz KVSXPLPCVLSYCK-SECBINFHSA-N 2 2 228.286 2.052 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414953233 385830991 /nfs/dbraw/zinc/83/09/91/385830991.db2.gz JJFHUGLMNGDJTH-ZYOFXKKJSA-N 2 2 236.334 2.427 20 0 BEADLP CCC[C@H](C[NH2+]C(C)(C)C[NH+]1CCCC1)OC ZINC000308642090 385832637 /nfs/dbraw/zinc/83/26/37/385832637.db2.gz QGNYEJGPFOARJD-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)C[C@H]1C ZINC000397751303 385846072 /nfs/dbraw/zinc/84/60/72/385846072.db2.gz DPSGSBROKQMBEZ-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414874244 385884188 /nfs/dbraw/zinc/88/41/88/385884188.db2.gz YXITYSLGIZJAFO-CQSZACIVSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000647845745 385885885 /nfs/dbraw/zinc/88/58/85/385885885.db2.gz DHYLEBWEYRZVQS-WOPDTQHZSA-N 2 2 237.347 2.103 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000647845745 385885887 /nfs/dbraw/zinc/88/58/87/385885887.db2.gz DHYLEBWEYRZVQS-WOPDTQHZSA-N 2 2 237.347 2.103 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336721402 385910189 /nfs/dbraw/zinc/91/01/89/385910189.db2.gz DJULHDAOZMMGKZ-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336721402 385910191 /nfs/dbraw/zinc/91/01/91/385910191.db2.gz DJULHDAOZMMGKZ-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCSCC1 ZINC000336742168 385913783 /nfs/dbraw/zinc/91/37/83/385913783.db2.gz WOPIUVZEZVCQSK-WDEREUQCSA-N 2 2 230.421 2.058 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272598929 385916674 /nfs/dbraw/zinc/91/66/74/385916674.db2.gz ISFBWOSXZQXSQD-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272598929 385916677 /nfs/dbraw/zinc/91/66/77/385916677.db2.gz ISFBWOSXZQXSQD-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)o1 ZINC000272598929 385916680 /nfs/dbraw/zinc/91/66/80/385916680.db2.gz ISFBWOSXZQXSQD-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)o1 ZINC000272598929 385916683 /nfs/dbraw/zinc/91/66/83/385916683.db2.gz ISFBWOSXZQXSQD-WFASDCNBSA-N 2 2 248.370 2.368 20 0 BEADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335034475 385923838 /nfs/dbraw/zinc/92/38/38/385923838.db2.gz VLTSDLDHLJRDCY-TZMCWYRMSA-N 2 2 246.354 2.242 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)CC2 ZINC000338016800 385875643 /nfs/dbraw/zinc/87/56/43/385875643.db2.gz VRYLEZKFHZCEOW-RDBSUJKOSA-N 2 2 245.370 2.366 20 0 BEADLP CCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414880715 385978471 /nfs/dbraw/zinc/97/84/71/385978471.db2.gz KMSLUEJURIXNJQ-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@H]1C ZINC000414132264 385979321 /nfs/dbraw/zinc/97/93/21/385979321.db2.gz MJHKRRYWRVDATN-LOWDOPEQSA-N 2 2 233.359 2.222 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C ZINC000414132266 385979867 /nfs/dbraw/zinc/97/98/67/385979867.db2.gz MJHKRRYWRVDATN-LPWJVIDDSA-N 2 2 233.359 2.222 20 0 BEADLP CC[C@H](CO)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000295189101 385986936 /nfs/dbraw/zinc/98/69/36/385986936.db2.gz XAYFMVAMNOZTEO-CQSZACIVSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@H](CO)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000295189101 385986945 /nfs/dbraw/zinc/98/69/45/385986945.db2.gz XAYFMVAMNOZTEO-CQSZACIVSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335040874 385933343 /nfs/dbraw/zinc/93/33/43/385933343.db2.gz HOFWYEYVVLIMBD-HIFRSBDPSA-N 2 2 230.355 2.324 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414878936 385942864 /nfs/dbraw/zinc/94/28/64/385942864.db2.gz IADKURPBYHBILH-CQSZACIVSA-N 2 2 218.344 2.091 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC000414968887 385944940 /nfs/dbraw/zinc/94/49/40/385944940.db2.gz YQLPWQKHXWJXGM-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000414071924 385946803 /nfs/dbraw/zinc/94/68/03/385946803.db2.gz MENAGZAXNNILOX-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000414071924 385946808 /nfs/dbraw/zinc/94/68/08/385946808.db2.gz MENAGZAXNNILOX-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(N[C@@H]2CC[NH2+]CC[C@@H]2C)c[nH+]1 ZINC000335052886 385951295 /nfs/dbraw/zinc/95/12/95/385951295.db2.gz VHEHGRHHSWAXLT-GXFFZTMASA-N 2 2 219.332 2.190 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CC1(C)C ZINC000414091149 385956775 /nfs/dbraw/zinc/95/67/75/385956775.db2.gz LGZYFRCCSDSVDA-QNWHQSFQSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CC1(C)C ZINC000414091149 385956784 /nfs/dbraw/zinc/95/67/84/385956784.db2.gz LGZYFRCCSDSVDA-QNWHQSFQSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@H]1C[C@H]1C ZINC000414108248 385969870 /nfs/dbraw/zinc/96/98/70/385969870.db2.gz JYABQIRUSWAWDP-NDBYEHHHSA-N 2 2 242.432 2.058 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414108539 385970245 /nfs/dbraw/zinc/97/02/45/385970245.db2.gz GIQDOTZOXLAQFE-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414108539 385970252 /nfs/dbraw/zinc/97/02/52/385970252.db2.gz GIQDOTZOXLAQFE-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000338345529 385973784 /nfs/dbraw/zinc/97/37/84/385973784.db2.gz ANNRYJILEXETLB-MJBXVCDLSA-N 2 2 242.407 2.216 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000338345529 385973787 /nfs/dbraw/zinc/97/37/87/385973787.db2.gz ANNRYJILEXETLB-MJBXVCDLSA-N 2 2 242.407 2.216 20 0 BEADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419629 385997767 /nfs/dbraw/zinc/99/77/67/385997767.db2.gz QRAPCWWELYHIJA-OLZOCXBDSA-N 2 2 249.358 2.014 20 0 BEADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000425419629 385997771 /nfs/dbraw/zinc/99/77/71/385997771.db2.gz QRAPCWWELYHIJA-OLZOCXBDSA-N 2 2 249.358 2.014 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccc(Cl)cc1F)C1CC1 ZINC000414882155 386004977 /nfs/dbraw/zinc/00/49/77/386004977.db2.gz BSSOHYASFSWHFL-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP CCSCC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000336751145 386005552 /nfs/dbraw/zinc/00/55/52/386005552.db2.gz FNKREBBTENGYKU-LBPRGKRZSA-N 2 2 232.437 2.305 20 0 BEADLP CCSCC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000336751173 386006724 /nfs/dbraw/zinc/00/67/24/386006724.db2.gz CALIFRAJLUDPPM-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000336751173 386006730 /nfs/dbraw/zinc/00/67/30/386006730.db2.gz CALIFRAJLUDPPM-CHWSQXEVSA-N 2 2 244.448 2.450 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1C[C@H]1C ZINC000414116220 386008782 /nfs/dbraw/zinc/00/87/82/386008782.db2.gz WJGBSZYIEGCODE-RXGFPQBGSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1C[C@H]1C ZINC000414116220 386008785 /nfs/dbraw/zinc/00/87/85/386008785.db2.gz WJGBSZYIEGCODE-RXGFPQBGSA-N 2 2 210.365 2.103 20 0 BEADLP CCSCC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336751942 386013793 /nfs/dbraw/zinc/01/37/93/386013793.db2.gz CQJKXMKMAGLEGD-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336751942 386013798 /nfs/dbraw/zinc/01/37/98/386013798.db2.gz CQJKXMKMAGLEGD-CYBMUJFWSA-N 2 2 242.432 2.346 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000414120230 386014356 /nfs/dbraw/zinc/01/43/56/386014356.db2.gz BGTOUPPCHADHDC-ZDUSSCGKSA-N 2 2 233.359 2.275 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000335061588 386026480 /nfs/dbraw/zinc/02/64/80/386026480.db2.gz MDCCZXLDDGXDDQ-GXTWGEPZSA-N 2 2 218.344 2.479 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cncc(F)c1 ZINC000221997608 386031721 /nfs/dbraw/zinc/03/17/21/386031721.db2.gz XESFIQWNURMROU-GHMZBOCLSA-N 2 2 248.305 2.157 20 0 BEADLP CO[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1CC1 ZINC000425422065 386039072 /nfs/dbraw/zinc/03/90/72/386039072.db2.gz WKVBYVOFOQBHOO-CQSZACIVSA-N 2 2 249.358 2.014 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000414979701 386047514 /nfs/dbraw/zinc/04/75/14/386047514.db2.gz OHXULXCSRJTSQV-JTQLQIEISA-N 2 2 239.388 2.238 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@@H]1C ZINC000414167301 386050358 /nfs/dbraw/zinc/05/03/58/386050358.db2.gz SGCKJYNRPUGVLX-QCNOEVLYSA-N 2 2 233.359 2.291 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@@H]1C ZINC000414167301 386050362 /nfs/dbraw/zinc/05/03/62/386050362.db2.gz SGCKJYNRPUGVLX-QCNOEVLYSA-N 2 2 233.359 2.291 20 0 BEADLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1F ZINC000414980645 386054163 /nfs/dbraw/zinc/05/41/63/386054163.db2.gz AQPZLJNQCNVQAP-LLVKDONJSA-N 2 2 240.322 2.051 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1F ZINC000414987225 386123710 /nfs/dbraw/zinc/12/37/10/386123710.db2.gz YMVKVKTUFSGSGZ-VIFPVBQESA-N 2 2 230.714 2.306 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000340523249 386119105 /nfs/dbraw/zinc/11/91/05/386119105.db2.gz GTJYHSHXVSERCF-WOPDTQHZSA-N 2 2 240.391 2.015 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000340523249 386119111 /nfs/dbraw/zinc/11/91/11/386119111.db2.gz GTJYHSHXVSERCF-WOPDTQHZSA-N 2 2 240.391 2.015 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2ccccc2o1 ZINC000414982837 386071394 /nfs/dbraw/zinc/07/13/94/386071394.db2.gz SSWVVNCELONRRE-LLVKDONJSA-N 2 2 218.300 2.260 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@@H]([NH3+])CC ZINC000414984080 386081932 /nfs/dbraw/zinc/08/19/32/386081932.db2.gz FURUYTHHTVROBQ-NSHDSACASA-N 2 2 224.323 2.215 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000286989601 386088947 /nfs/dbraw/zinc/08/89/47/386088947.db2.gz PITRXSIQELQLJQ-UHFFFAOYSA-N 2 2 243.301 2.393 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C1CCC(F)(F)CC1 ZINC000286989601 386088954 /nfs/dbraw/zinc/08/89/54/386088954.db2.gz PITRXSIQELQLJQ-UHFFFAOYSA-N 2 2 243.301 2.393 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000414887424 386090100 /nfs/dbraw/zinc/09/01/00/386090100.db2.gz DOIYPPHYCATJOM-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP CCCC[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]CCOC ZINC000414891602 386145413 /nfs/dbraw/zinc/14/54/13/386145413.db2.gz WEVFSVHQDNZYEL-ZIAGYGMSSA-N 2 2 242.407 2.171 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1F ZINC000414990535 386148056 /nfs/dbraw/zinc/14/80/56/386148056.db2.gz PKUHLAJLSYWUSP-SNVBAGLBSA-N 2 2 230.714 2.306 20 0 BEADLP CC(F)(F)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000296193802 386149399 /nfs/dbraw/zinc/14/93/99/386149399.db2.gz YPPPCLXYEKROGK-UHFFFAOYSA-N 2 2 239.269 2.469 20 0 BEADLP [NH3+]CC[C@H]([NH2+]CC1CCCCC1)C(F)F ZINC000414992017 386151132 /nfs/dbraw/zinc/15/11/32/386151132.db2.gz QIYVSPCPXGBOCO-JTQLQIEISA-N 2 2 220.307 2.139 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000440801722 386161760 /nfs/dbraw/zinc/16/17/60/386161760.db2.gz RIVSTJOXFILKJI-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000440801722 386161764 /nfs/dbraw/zinc/16/17/64/386161764.db2.gz RIVSTJOXFILKJI-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP COC1CCC([N@H+](C)C[C@H]([NH3+])CC(C)C)CC1 ZINC000414691034 386185259 /nfs/dbraw/zinc/18/52/59/386185259.db2.gz IKFUGRJNFDAAJZ-IYXRBSQSSA-N 2 2 242.407 2.249 20 0 BEADLP COC1CCC([N@@H+](C)C[C@H]([NH3+])CC(C)C)CC1 ZINC000414691034 386185263 /nfs/dbraw/zinc/18/52/63/386185263.db2.gz IKFUGRJNFDAAJZ-IYXRBSQSSA-N 2 2 242.407 2.249 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC000130887363 386188176 /nfs/dbraw/zinc/18/81/76/386188176.db2.gz FJDHCZBCDXDVPN-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000130887363 386188178 /nfs/dbraw/zinc/18/81/78/386188178.db2.gz FJDHCZBCDXDVPN-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343172 386133564 /nfs/dbraw/zinc/13/35/64/386133564.db2.gz QQJRHSYUAFVOGZ-ASEORRQLSA-N 2 2 246.354 2.208 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343172 386133565 /nfs/dbraw/zinc/13/35/65/386133565.db2.gz QQJRHSYUAFVOGZ-ASEORRQLSA-N 2 2 246.354 2.208 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000275333661 386202793 /nfs/dbraw/zinc/20/27/93/386202793.db2.gz WLZQBTDEIPJEDR-KBPBESRZSA-N 2 2 248.370 2.432 20 0 BEADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000347040200 386226256 /nfs/dbraw/zinc/22/62/56/386226256.db2.gz HSPLWJNTIPZGIJ-HJHHMULASA-N 2 2 246.354 2.132 20 0 BEADLP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000347040200 386226259 /nfs/dbraw/zinc/22/62/59/386226259.db2.gz HSPLWJNTIPZGIJ-HJHHMULASA-N 2 2 246.354 2.132 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000275636532 386227907 /nfs/dbraw/zinc/22/79/07/386227907.db2.gz RHMZQNSMGYIJKK-CABCVRRESA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000288987846 386250232 /nfs/dbraw/zinc/25/02/32/386250232.db2.gz CWCHSHWQHZZUDG-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000288987846 386250237 /nfs/dbraw/zinc/25/02/37/386250237.db2.gz CWCHSHWQHZZUDG-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H](C)C[NH3+])cc2cccnc12 ZINC000347194367 386257938 /nfs/dbraw/zinc/25/79/38/386257938.db2.gz GTQABTYOKILELJ-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H](C)C[NH3+])cc2cccnc12 ZINC000347194367 386257943 /nfs/dbraw/zinc/25/79/43/386257943.db2.gz GTQABTYOKILELJ-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccco1 ZINC000275278147 386199292 /nfs/dbraw/zinc/19/92/92/386199292.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccco1 ZINC000275278147 386199298 /nfs/dbraw/zinc/19/92/98/386199298.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccco1 ZINC000275278147 386199301 /nfs/dbraw/zinc/19/93/01/386199301.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccco1 ZINC000275278147 386199303 /nfs/dbraw/zinc/19/93/03/386199303.db2.gz MPYXHVWRDCNBJN-AAEUAGOBSA-N 2 2 222.332 2.052 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000133013660 386284088 /nfs/dbraw/zinc/28/40/88/386284088.db2.gz ZARKHYHGTVKJIV-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1cccc(C[N@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000133013660 386284094 /nfs/dbraw/zinc/28/40/94/386284094.db2.gz ZARKHYHGTVKJIV-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000647885870 386289526 /nfs/dbraw/zinc/28/95/26/386289526.db2.gz ZOIKZMUGVBIPBB-WCQYABFASA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000647885870 386289530 /nfs/dbraw/zinc/28/95/30/386289530.db2.gz ZOIKZMUGVBIPBB-WCQYABFASA-N 2 2 236.384 2.124 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccccc2C1 ZINC000289365453 386290118 /nfs/dbraw/zinc/29/01/18/386290118.db2.gz OPCWHNCEUAJZHN-UHFFFAOYSA-N 2 2 241.338 2.021 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccccc2C1 ZINC000289365453 386290125 /nfs/dbraw/zinc/29/01/25/386290125.db2.gz OPCWHNCEUAJZHN-UHFFFAOYSA-N 2 2 241.338 2.021 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCSCC1 ZINC000187065010 386290370 /nfs/dbraw/zinc/29/03/70/386290370.db2.gz NLAAQEJJGCGQLY-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCSCC1 ZINC000187065010 386290376 /nfs/dbraw/zinc/29/03/76/386290376.db2.gz NLAAQEJJGCGQLY-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCSCC1 ZINC000187064978 386290635 /nfs/dbraw/zinc/29/06/35/386290635.db2.gz NLAAQEJJGCGQLY-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCSCC1 ZINC000187064978 386290639 /nfs/dbraw/zinc/29/06/39/386290639.db2.gz NLAAQEJJGCGQLY-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@H+](C)C1CC1 ZINC000336730949 386292452 /nfs/dbraw/zinc/29/24/52/386292452.db2.gz FBCKPWJJGTWMRR-LLVKDONJSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+](C)C1CC1 ZINC000336730949 386292456 /nfs/dbraw/zinc/29/24/56/386292456.db2.gz FBCKPWJJGTWMRR-LLVKDONJSA-N 2 2 222.376 2.391 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]([NH2+]C)C2)cc1 ZINC000133175962 386296440 /nfs/dbraw/zinc/29/64/40/386296440.db2.gz QNJVZVDFKYNQTC-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]([NH2+]C)C2)cc1 ZINC000133175962 386296445 /nfs/dbraw/zinc/29/64/45/386296445.db2.gz QNJVZVDFKYNQTC-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000133165091 386297808 /nfs/dbraw/zinc/29/78/08/386297808.db2.gz GJZDREXEYBGCDE-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000133165091 386297816 /nfs/dbraw/zinc/29/78/16/386297816.db2.gz GJZDREXEYBGCDE-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000088131464 386304379 /nfs/dbraw/zinc/30/43/79/386304379.db2.gz QPEAWWLVVBGFFF-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CCc1ccc[nH+]c1NCc1c[nH+]cn1CC ZINC000416427943 386304662 /nfs/dbraw/zinc/30/46/62/386304662.db2.gz RSMBKRVIXFBNMQ-UHFFFAOYSA-N 2 2 230.315 2.473 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000415006273 386313573 /nfs/dbraw/zinc/31/35/73/386313573.db2.gz KGLBXVVLTHGUQM-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000289478112 386313706 /nfs/dbraw/zinc/31/37/06/386313706.db2.gz ZPJWJXLRAIWTLG-AWEZNQCLSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000289478112 386313712 /nfs/dbraw/zinc/31/37/12/386313712.db2.gz ZPJWJXLRAIWTLG-AWEZNQCLSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccncc1CCC[NH2+]CC(C)(C)[NH+](C)C ZINC000289213007 386271550 /nfs/dbraw/zinc/27/15/50/386271550.db2.gz ISWDHZFDGSFNHC-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)[NH+](C)C ZINC000289213007 386271553 /nfs/dbraw/zinc/27/15/53/386271553.db2.gz ISWDHZFDGSFNHC-UHFFFAOYSA-N 3 2 249.402 2.252 20 0 BEADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CC1 ZINC000347349105 386344498 /nfs/dbraw/zinc/34/44/98/386344498.db2.gz VEXXCMNBFDWXFZ-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC1CC1 ZINC000347349105 386344503 /nfs/dbraw/zinc/34/45/03/386344503.db2.gz VEXXCMNBFDWXFZ-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000289727804 386348300 /nfs/dbraw/zinc/34/83/00/386348300.db2.gz OTIHPVGSXLPHQF-UKRRQHHQSA-N 2 2 248.370 2.073 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)CC1CCC1 ZINC000336689684 386354030 /nfs/dbraw/zinc/35/40/30/386354030.db2.gz DIJCTRPMKWLPGF-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CCC1 ZINC000336689684 386354031 /nfs/dbraw/zinc/35/40/31/386354031.db2.gz DIJCTRPMKWLPGF-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC(C)(C[NH2+]Cc1ccco1)C[NH+]1CCCC1 ZINC000276687262 386365029 /nfs/dbraw/zinc/36/50/29/386365029.db2.gz JMODZDQWMQXWLG-UHFFFAOYSA-N 2 2 236.359 2.491 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647933719 386368065 /nfs/dbraw/zinc/36/80/65/386368065.db2.gz ZGQFOOSOUBFJGW-UHFFFAOYSA-N 2 2 241.338 2.319 20 0 BEADLP Cc1ccc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647933719 386368072 /nfs/dbraw/zinc/36/80/72/386368072.db2.gz ZGQFOOSOUBFJGW-UHFFFAOYSA-N 2 2 241.338 2.319 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1O ZINC000289951583 386377466 /nfs/dbraw/zinc/37/74/66/386377466.db2.gz AUZUFHYSKJVVEC-CABCVRRESA-N 2 2 248.370 2.216 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000289973933 386379344 /nfs/dbraw/zinc/37/93/44/386379344.db2.gz BWYLXWLCGSNOOG-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)o1 ZINC000289552668 386327035 /nfs/dbraw/zinc/32/70/35/386327035.db2.gz XTQVROOFIZLTCM-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)o1 ZINC000289552668 386327037 /nfs/dbraw/zinc/32/70/37/386327037.db2.gz XTQVROOFIZLTCM-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[NH+](C)C ZINC000276480145 386330699 /nfs/dbraw/zinc/33/06/99/386330699.db2.gz OAQAUSWNJWKPEO-HNNXBMFYSA-N 2 2 234.387 2.467 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000289662584 386338178 /nfs/dbraw/zinc/33/81/78/386338178.db2.gz LZLYXITWAHTQIX-UONOGXRCSA-N 2 2 248.370 2.072 20 0 BEADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000290164401 386400635 /nfs/dbraw/zinc/40/06/35/386400635.db2.gz MCHRNFZZWHKELM-IAQYHMDHSA-N 2 2 246.354 2.192 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000290188121 386403499 /nfs/dbraw/zinc/40/34/99/386403499.db2.gz ZUAUTFSJRMXLRS-ZIAGYGMSSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000290188121 386403504 /nfs/dbraw/zinc/40/35/04/386403504.db2.gz ZUAUTFSJRMXLRS-ZIAGYGMSSA-N 2 2 248.370 2.432 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(F)c1 ZINC000299140530 386419631 /nfs/dbraw/zinc/41/96/31/386419631.db2.gz UBEMGGJWVIOKFL-UHFFFAOYSA-N 2 2 224.323 2.209 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(F)c1 ZINC000299140530 386419636 /nfs/dbraw/zinc/41/96/36/386419636.db2.gz UBEMGGJWVIOKFL-UHFFFAOYSA-N 2 2 224.323 2.209 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000442663620 386420434 /nfs/dbraw/zinc/42/04/34/386420434.db2.gz SZVYTDXEOPIHKF-CYBMUJFWSA-N 2 2 247.386 2.066 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000442663620 386420437 /nfs/dbraw/zinc/42/04/37/386420437.db2.gz SZVYTDXEOPIHKF-CYBMUJFWSA-N 2 2 247.386 2.066 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336742078 386476765 /nfs/dbraw/zinc/47/67/65/386476765.db2.gz WGWHEOLDKVOOJT-RTXFEEFZSA-N 2 2 210.365 2.105 20 0 BEADLP C[Si](C)(C)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266909597 386479133 /nfs/dbraw/zinc/47/91/33/386479133.db2.gz IMHOPHXZXQRNIF-LLVKDONJSA-N 2 2 237.423 2.467 20 0 BEADLP C[Si](C)(C)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266909597 386479141 /nfs/dbraw/zinc/47/91/41/386479141.db2.gz IMHOPHXZXQRNIF-LLVKDONJSA-N 2 2 237.423 2.467 20 0 BEADLP Cc1cnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266924543 386480935 /nfs/dbraw/zinc/48/09/35/386480935.db2.gz MZPOWHRHOHVAHJ-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266924543 386480939 /nfs/dbraw/zinc/48/09/39/386480939.db2.gz MZPOWHRHOHVAHJ-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417350581 386487526 /nfs/dbraw/zinc/48/75/26/386487526.db2.gz AGPLJXPAQHOAQP-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000417355486 386492868 /nfs/dbraw/zinc/49/28/68/386492868.db2.gz NUMIJRDRNBZUDT-LLVKDONJSA-N 2 2 208.349 2.003 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000417358602 386495238 /nfs/dbraw/zinc/49/52/38/386495238.db2.gz ULODNRYEFVJSIG-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000415013384 386496727 /nfs/dbraw/zinc/49/67/27/386496727.db2.gz UWDHDMULLFCTDT-IUCAKERBSA-N 2 2 236.290 2.397 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000417328219 386498438 /nfs/dbraw/zinc/49/84/38/386498438.db2.gz IFEQTUJOCYCCHL-SDDRHHMPSA-N 2 2 238.400 2.391 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000135295367 386498882 /nfs/dbraw/zinc/49/88/82/386498882.db2.gz IOEYQJBKSCRIFI-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000135295367 386498887 /nfs/dbraw/zinc/49/88/87/386498887.db2.gz IOEYQJBKSCRIFI-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])c2ccccc2n1 ZINC000135295125 386500728 /nfs/dbraw/zinc/50/07/28/386500728.db2.gz WXYWIEIOUZKIPS-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H](C)C[NH3+])c2ccccc2n1 ZINC000135295125 386500733 /nfs/dbraw/zinc/50/07/33/386500733.db2.gz WXYWIEIOUZKIPS-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP [NH3+]CCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000335448092 386517900 /nfs/dbraw/zinc/51/79/00/386517900.db2.gz MEZCRNRYUGTKIS-UHFFFAOYSA-N 2 2 230.764 2.108 20 0 BEADLP [NH3+]CCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000335448092 386517903 /nfs/dbraw/zinc/51/79/03/386517903.db2.gz MEZCRNRYUGTKIS-UHFFFAOYSA-N 2 2 230.764 2.108 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000414784784 386518197 /nfs/dbraw/zinc/51/81/97/386518197.db2.gz LIFCMEKNIVLGBE-ABAIWWIYSA-N 2 2 248.370 2.179 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000414784784 386518199 /nfs/dbraw/zinc/51/81/99/386518199.db2.gz LIFCMEKNIVLGBE-ABAIWWIYSA-N 2 2 248.370 2.179 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336780094 386523824 /nfs/dbraw/zinc/52/38/24/386523824.db2.gz QJQLCVOVQDIEMN-RWMBFGLXSA-N 2 2 244.448 2.448 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336780094 386523829 /nfs/dbraw/zinc/52/38/29/386523829.db2.gz QJQLCVOVQDIEMN-RWMBFGLXSA-N 2 2 244.448 2.448 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1C[C@H]1C ZINC000519694618 386528322 /nfs/dbraw/zinc/52/83/22/386528322.db2.gz UDAUURSWKOPQQQ-MDZLAQPJSA-N 2 2 233.359 2.354 20 0 BEADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414795741 386575744 /nfs/dbraw/zinc/57/57/44/386575744.db2.gz HBFQZMRZXGKTJY-JGVFFNPUSA-N 2 2 245.779 2.014 20 0 BEADLP CCOC[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797602 386580262 /nfs/dbraw/zinc/58/02/62/386580262.db2.gz BHULVTYYNBQRNC-ZDUSSCGKSA-N 2 2 242.407 2.313 20 0 BEADLP Nc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000228053149 386534804 /nfs/dbraw/zinc/53/48/04/386534804.db2.gz BCVLDQAFDUAHQT-QWHCGFSZSA-N 2 2 231.343 2.428 20 0 BEADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000336755403 386537501 /nfs/dbraw/zinc/53/75/01/386537501.db2.gz IVHBPEXEMKCZFT-SNVBAGLBSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000336755403 386537503 /nfs/dbraw/zinc/53/75/03/386537503.db2.gz IVHBPEXEMKCZFT-SNVBAGLBSA-N 2 2 210.365 2.247 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414789630 386539086 /nfs/dbraw/zinc/53/90/86/386539086.db2.gz FOTXEPFSVUEPGH-CQSZACIVSA-N 2 2 238.350 2.461 20 0 BEADLP COc1ccccc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415060028 386541090 /nfs/dbraw/zinc/54/10/90/386541090.db2.gz VWNLMLFCIMOLBI-CYBMUJFWSA-N 2 2 236.359 2.158 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@H]1C[C@H]1C ZINC000415063197 386545084 /nfs/dbraw/zinc/54/50/84/386545084.db2.gz HBMWZWFSGLPMCL-UXIGCNINSA-N 2 2 232.371 2.494 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C1CC1 ZINC000414791491 386549684 /nfs/dbraw/zinc/54/96/84/386549684.db2.gz BIDYEBFHSREMNI-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000063191823 386554424 /nfs/dbraw/zinc/55/44/24/386554424.db2.gz LKXQZYCEWUPFSB-FZMZJTMJSA-N 2 2 234.343 2.094 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000063191823 386554433 /nfs/dbraw/zinc/55/44/33/386554433.db2.gz LKXQZYCEWUPFSB-FZMZJTMJSA-N 2 2 234.343 2.094 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983927 386557818 /nfs/dbraw/zinc/55/78/18/386557818.db2.gz VINYCDSJUHTFAI-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061983927 386557825 /nfs/dbraw/zinc/55/78/25/386557825.db2.gz VINYCDSJUHTFAI-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000123574369 386559623 /nfs/dbraw/zinc/55/96/23/386559623.db2.gz NEDUMIJPAAIDEU-LLVKDONJSA-N 2 2 230.311 2.274 20 0 BEADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000123574369 386559625 /nfs/dbraw/zinc/55/96/25/386559625.db2.gz NEDUMIJPAAIDEU-LLVKDONJSA-N 2 2 230.311 2.274 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000417361401 386567457 /nfs/dbraw/zinc/56/74/57/386567457.db2.gz YXVUHNCJHXXZNH-CHWSQXEVSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[C@H](C)[C@@H](CC)[NH2+]CC[NH+](C)C ZINC000336645994 386621650 /nfs/dbraw/zinc/62/16/50/386621650.db2.gz CHGCWWMEXVAWFT-NWDGAFQWSA-N 2 2 200.370 2.352 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335498599 386623046 /nfs/dbraw/zinc/62/30/46/386623046.db2.gz QKWVZWHSNJGUOS-JSGCOSHPSA-N 2 2 246.354 2.160 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000335497997 386624116 /nfs/dbraw/zinc/62/41/16/386624116.db2.gz CMBORTYHDOZRRF-NXEZZACHSA-N 2 2 210.346 2.069 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414809221 386626318 /nfs/dbraw/zinc/62/63/18/386626318.db2.gz VCAVZQDFJBOGPD-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000415114754 386626875 /nfs/dbraw/zinc/62/68/75/386626875.db2.gz UADUODGJCDQYLY-YPMHNXCESA-N 2 2 236.359 2.416 20 0 BEADLP CC(C)Cc1ncc(C[NH2+]CC(C)(C)[NH3+])s1 ZINC000414810929 386633564 /nfs/dbraw/zinc/63/35/64/386633564.db2.gz YKIRRBIZKSNURF-UHFFFAOYSA-N 2 2 241.404 2.169 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128270 386635454 /nfs/dbraw/zinc/63/54/54/386635454.db2.gz SCEDNCLHSCFTDK-HQRZJTNHSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128270 386635459 /nfs/dbraw/zinc/63/54/59/386635459.db2.gz SCEDNCLHSCFTDK-HQRZJTNHSA-N 2 2 248.345 2.208 20 0 BEADLP c1cncc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414814038 386637382 /nfs/dbraw/zinc/63/73/82/386637382.db2.gz RHWZRVCCOVXHLP-UHFFFAOYSA-N 2 2 247.386 2.484 20 0 BEADLP CC[NH+](CC)[C@H]1CCN(c2cc(C)cc[nH+]2)C1 ZINC000268304611 386639185 /nfs/dbraw/zinc/63/91/85/386639185.db2.gz IEMSORRXQRCEJE-ZDUSSCGKSA-N 2 2 233.359 2.311 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000414814068 386640847 /nfs/dbraw/zinc/64/08/47/386640847.db2.gz YXOJUIVCYSXZHG-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336782436 386642839 /nfs/dbraw/zinc/64/28/39/386642839.db2.gz XQJMHWFHJCRSQB-AGIUHOORSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336782436 386642845 /nfs/dbraw/zinc/64/28/45/386642845.db2.gz XQJMHWFHJCRSQB-AGIUHOORSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336782853 386651126 /nfs/dbraw/zinc/65/11/26/386651126.db2.gz YVCOELXKSBEEKT-DYEKYZERSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336782853 386651129 /nfs/dbraw/zinc/65/11/29/386651129.db2.gz YVCOELXKSBEEKT-DYEKYZERSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1nc(C[NH2+]C[C@@H]([NH3+])CC(C)C)sc1C ZINC000415086141 386603919 /nfs/dbraw/zinc/60/39/19/386603919.db2.gz UGEDTDBWEGAXKI-NSHDSACASA-N 2 2 241.404 2.223 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000414801779 386604209 /nfs/dbraw/zinc/60/42/09/386604209.db2.gz MEWCRTDZGHBQAM-LBPRGKRZSA-N 2 2 224.735 2.167 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000414804309 386608429 /nfs/dbraw/zinc/60/84/29/386608429.db2.gz XEZFXKMNRZBAQP-NSHDSACASA-N 2 2 246.276 2.177 20 0 BEADLP c1c2ccccc2oc1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000415092896 386610997 /nfs/dbraw/zinc/61/09/97/386610997.db2.gz UGOJEYDCYADUSH-ZDUSSCGKSA-N 2 2 244.338 2.317 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415092924 386611243 /nfs/dbraw/zinc/61/12/43/386611243.db2.gz UISXBIVDWXKBBD-VXGBXAGGSA-N 2 2 237.347 2.084 20 0 BEADLP COc1ccc2oc(C[NH2+]CC(C)(C)[NH3+])cc2c1 ZINC000414805227 386612094 /nfs/dbraw/zinc/61/20/94/386612094.db2.gz OHYCSBUVMYBIJC-UHFFFAOYSA-N 2 2 248.326 2.268 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ncc(CC)s1 ZINC000414806834 386616240 /nfs/dbraw/zinc/61/62/40/386616240.db2.gz BUPGXXOXNPIKSE-SNVBAGLBSA-N 2 2 241.404 2.313 20 0 BEADLP Cc1cc[nH+]c(NCCCn2cc[nH+]c2)c1 ZINC000043561438 386711461 /nfs/dbraw/zinc/71/14/61/386711461.db2.gz WQYLNQJCVCGIGL-UHFFFAOYSA-N 2 2 216.288 2.089 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000049961738 386683742 /nfs/dbraw/zinc/68/37/42/386683742.db2.gz SLLUMCIIYMOHOQ-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC000049961738 386683745 /nfs/dbraw/zinc/68/37/45/386683745.db2.gz SLLUMCIIYMOHOQ-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000049961729 386685492 /nfs/dbraw/zinc/68/54/92/386685492.db2.gz QZVLMWLPAZXRPO-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000049961729 386685498 /nfs/dbraw/zinc/68/54/98/386685498.db2.gz QZVLMWLPAZXRPO-AWEZNQCLSA-N 2 2 218.344 2.172 20 0 BEADLP C[NH+](C)Cc1ccc(NCc2[nH]cc[nH+]2)c(F)c1 ZINC000414481367 386686546 /nfs/dbraw/zinc/68/65/46/386686546.db2.gz BLCVSOADGRFHMQ-UHFFFAOYSA-N 2 2 248.305 2.223 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414825549 386690370 /nfs/dbraw/zinc/69/03/70/386690370.db2.gz SZTBBRAJKRALQS-UHFFFAOYSA-N 2 2 248.370 2.317 20 0 BEADLP Cc1ccc(CCCN2C[C@H](C)[NH2+]C[C@@H]2C)c[nH+]1 ZINC000340687587 386696768 /nfs/dbraw/zinc/69/67/68/386696768.db2.gz BWMCGEQSOMIVLR-KBPBESRZSA-N 2 2 247.386 2.005 20 0 BEADLP c1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000043326576 386702431 /nfs/dbraw/zinc/70/24/31/386702431.db2.gz BRRBWMHXGDTDKQ-LSDHHAIUSA-N 2 2 230.355 2.479 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414828700 386702905 /nfs/dbraw/zinc/70/29/05/386702905.db2.gz JINBRAMEWAISNJ-HNNXBMFYSA-N 2 2 241.338 2.180 20 0 BEADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414837046 386732274 /nfs/dbraw/zinc/73/22/74/386732274.db2.gz VJFURRIEIPTEPI-SNVBAGLBSA-N 2 2 240.297 2.054 20 0 BEADLP Clc1ccsc1C[NH2+]C1CC[NH2+]CC1 ZINC000335483236 386713127 /nfs/dbraw/zinc/71/31/27/386713127.db2.gz LLNPDCZFURSALD-UHFFFAOYSA-N 2 2 230.764 2.243 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000335542286 386724739 /nfs/dbraw/zinc/72/47/39/386724739.db2.gz HCORPAIPOZEIFN-MNOVXSKESA-N 2 2 239.388 2.201 20 0 BEADLP CCCc1csc(C[NH2+]C[C@@H](C)C[NH2+]C)n1 ZINC000414839674 386745058 /nfs/dbraw/zinc/74/50/58/386745058.db2.gz MGSBVRTXFTWQQD-JTQLQIEISA-N 2 2 241.404 2.041 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000336761079 386753249 /nfs/dbraw/zinc/75/32/49/386753249.db2.gz MHKJOWUGZUQXBL-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000336761079 386753253 /nfs/dbraw/zinc/75/32/53/386753253.db2.gz MHKJOWUGZUQXBL-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH+](C)CC[C@H]([NH2+]Cc1cocn1)C(C)(C)C ZINC000192314765 386762915 /nfs/dbraw/zinc/76/29/15/386762915.db2.gz XVNHRTILJCPPFB-LBPRGKRZSA-N 2 2 239.363 2.131 20 0 BEADLP CCC1CC([NH2+][C@H]2CCC[N@H+](CC)C2)C1 ZINC000336664406 386764521 /nfs/dbraw/zinc/76/45/21/386764521.db2.gz CQHOATCNOJPMSJ-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CC([NH2+][C@H]2CCC[N@@H+](CC)C2)C1 ZINC000336664406 386764525 /nfs/dbraw/zinc/76/45/25/386764525.db2.gz CQHOATCNOJPMSJ-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCC[N@H+](CC)C2)C1 ZINC000336664407 386765959 /nfs/dbraw/zinc/76/59/59/386765959.db2.gz CQHOATCNOJPMSJ-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000336664407 386765962 /nfs/dbraw/zinc/76/59/62/386765962.db2.gz CQHOATCNOJPMSJ-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[NH2+][C@@H](C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414497900 386742618 /nfs/dbraw/zinc/74/26/18/386742618.db2.gz VCSLWUAPHNYABZ-UWVGGRQHSA-N 2 2 240.351 2.176 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]CC[NH+]1CCCC1 ZINC000394991550 386791034 /nfs/dbraw/zinc/79/10/34/386791034.db2.gz MPTYLNBZYKKHQT-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)ccc1C ZINC000414934175 386794375 /nfs/dbraw/zinc/79/43/75/386794375.db2.gz BEHGOJZSUZDWRM-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]c1 ZINC000293122167 386779315 /nfs/dbraw/zinc/77/93/15/386779315.db2.gz RBASVNQCYXVXRC-CYBMUJFWSA-N 2 2 231.343 2.004 20 0 BEADLP Cc1c[nH+]ccc1NCc1ccn2cc[nH+]c2c1 ZINC000357441890 386783812 /nfs/dbraw/zinc/78/38/12/386783812.db2.gz SIRLCFPYFZRIRC-UHFFFAOYSA-N 2 2 238.294 2.072 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccccc1F)C[NH+](C)C ZINC000336670902 386810133 /nfs/dbraw/zinc/81/01/33/386810133.db2.gz NHOLBBRXUAICLB-NSHDSACASA-N 2 2 224.323 2.113 20 0 BEADLP CO[C@H](C[NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000293567523 386838516 /nfs/dbraw/zinc/83/85/16/386838516.db2.gz GRUVNMYYIKRIRZ-OAHLLOKOSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCCC[NH2+]1 ZINC000395086117 386853636 /nfs/dbraw/zinc/85/36/36/386853636.db2.gz RQROOYSIAZLVPH-JQWIXIFHSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000414938932 386866841 /nfs/dbraw/zinc/86/68/41/386866841.db2.gz WLMVBKQGUSHQKX-WFASDCNBSA-N 2 2 232.371 2.391 20 0 BEADLP C(C1CCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000334833970 386872401 /nfs/dbraw/zinc/87/24/01/386872401.db2.gz KMPLHBRXEDRZSC-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000334833970 386872407 /nfs/dbraw/zinc/87/24/07/386872407.db2.gz KMPLHBRXEDRZSC-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP c1cc2c(cc1N[C@H]1CCC[NH2+]C1)CCC[NH2+]2 ZINC000334861045 386914057 /nfs/dbraw/zinc/91/40/57/386914057.db2.gz AQUACOVMXDHUPS-ZDUSSCGKSA-N 2 2 231.343 2.209 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000334861298 386914813 /nfs/dbraw/zinc/91/48/13/386914813.db2.gz CLUNVTRREPCWKD-SKDRFNHKSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000334863276 386917018 /nfs/dbraw/zinc/91/70/18/386917018.db2.gz MLCDVIQMIUYLJS-GXTWGEPZSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@@]1(CNc2ccc3c(c2)CCC[NH2+]3)CC[NH2+]C1 ZINC000334864279 386918837 /nfs/dbraw/zinc/91/88/37/386918837.db2.gz OGBXNKRQKLQHHX-OAHLLOKOSA-N 2 2 245.370 2.456 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000334864339 386919473 /nfs/dbraw/zinc/91/94/73/386919473.db2.gz ONFROFNCAGUNGU-TZMCWYRMSA-N 2 2 218.344 2.083 20 0 BEADLP c1c2ccccc2oc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000334850289 386898386 /nfs/dbraw/zinc/89/83/86/386898386.db2.gz VBSXJJZFWHRRBL-LBPRGKRZSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000334857887 386911698 /nfs/dbraw/zinc/91/16/98/386911698.db2.gz PYGOEGVNHABSRC-SKDRFNHKSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000334865213 386921847 /nfs/dbraw/zinc/92/18/47/386921847.db2.gz RJMRSVFYJSXDGL-BXKDBHETSA-N 2 2 240.297 2.195 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000335774607 386923708 /nfs/dbraw/zinc/92/37/08/386923708.db2.gz HUIPFBHHTAAUOJ-GFCCVEGCSA-N 2 2 233.359 2.417 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000335774607 386923712 /nfs/dbraw/zinc/92/37/12/386923712.db2.gz HUIPFBHHTAAUOJ-GFCCVEGCSA-N 2 2 233.359 2.417 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000334866071 386924642 /nfs/dbraw/zinc/92/46/42/386924642.db2.gz WBCGCQBYADPVTI-KOLCDFICSA-N 2 2 224.373 2.144 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000334873903 386935517 /nfs/dbraw/zinc/93/55/17/386935517.db2.gz KLJBAJZAJFFQQA-LBPRGKRZSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000334875164 386935976 /nfs/dbraw/zinc/93/59/76/386935976.db2.gz UKFVEFPQUMCFLJ-CYBMUJFWSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000334875089 386936668 /nfs/dbraw/zinc/93/66/68/386936668.db2.gz SEUZHAPZWAYJMX-ZDUSSCGKSA-N 2 2 218.344 2.225 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C(C1CC1)C1CC1)C2 ZINC000368102371 386941670 /nfs/dbraw/zinc/94/16/70/386941670.db2.gz NSLCXNSADPNXKP-LLVKDONJSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000368102371 386941674 /nfs/dbraw/zinc/94/16/74/386941674.db2.gz NSLCXNSADPNXKP-LLVKDONJSA-N 2 2 231.343 2.045 20 0 BEADLP CC[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000116386702 386943781 /nfs/dbraw/zinc/94/37/81/386943781.db2.gz AIDCLTXQCWRLGK-OAHLLOKOSA-N 2 2 243.354 2.494 20 0 BEADLP Cc1[nH+]cn(Cc2cc[nH+]cc2C)c1C ZINC000528384893 386953839 /nfs/dbraw/zinc/95/38/39/386953839.db2.gz YUIODKQFVNCHBF-UHFFFAOYSA-N 2 2 201.273 2.252 20 0 BEADLP C[C@H]1CC[C@@]2(CC[N@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890105 386962386 /nfs/dbraw/zinc/96/23/86/386962386.db2.gz MSJUVDAKKWLQKF-UONOGXRCSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@H]1CC[C@@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890105 386962389 /nfs/dbraw/zinc/96/23/89/386962389.db2.gz MSJUVDAKKWLQKF-UONOGXRCSA-N 2 2 233.359 2.395 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000425355339 386965249 /nfs/dbraw/zinc/96/52/49/386965249.db2.gz LBGOFVAXWMIJNA-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000425355339 386965253 /nfs/dbraw/zinc/96/52/53/386965253.db2.gz LBGOFVAXWMIJNA-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000425360238 386977123 /nfs/dbraw/zinc/97/71/23/386977123.db2.gz QVHSGOICWJRTMT-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)co1 ZINC000647966460 387006662 /nfs/dbraw/zinc/00/66/62/387006662.db2.gz UDGUTHKJHVYYNX-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000336763190 386951923 /nfs/dbraw/zinc/95/19/23/386951923.db2.gz OPNLVIGTBDFAIA-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000336763190 386951929 /nfs/dbraw/zinc/95/19/29/386951929.db2.gz OPNLVIGTBDFAIA-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC12CCC2 ZINC000336764457 387049330 /nfs/dbraw/zinc/04/93/30/387049330.db2.gz PZRBQWBNEISLIS-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c(C)n1 ZINC000334997240 387088378 /nfs/dbraw/zinc/08/83/78/387088378.db2.gz CALHTEXLSVUHGD-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c(C)n1 ZINC000334997240 387088382 /nfs/dbraw/zinc/08/83/82/387088382.db2.gz CALHTEXLSVUHGD-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)n1 ZINC000334997192 387088538 /nfs/dbraw/zinc/08/85/38/387088538.db2.gz AXWVLTJPNLTPPX-DOMZBBRYSA-N 2 2 247.386 2.400 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c(C)n1 ZINC000334997192 387088542 /nfs/dbraw/zinc/08/85/42/387088542.db2.gz AXWVLTJPNLTPPX-DOMZBBRYSA-N 2 2 247.386 2.400 20 0 BEADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000370114723 387089547 /nfs/dbraw/zinc/08/95/47/387089547.db2.gz VIRZKMONEYEXMM-LLVKDONJSA-N 2 2 233.359 2.150 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@@H]2CC23CC3)[nH+]1 ZINC000418093324 387100584 /nfs/dbraw/zinc/10/05/84/387100584.db2.gz IZFMLUMYKLBABV-NSHDSACASA-N 2 2 227.311 2.224 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000335028750 387122012 /nfs/dbraw/zinc/12/20/12/387122012.db2.gz USOQIUOWKUJVDO-UKRRQHHQSA-N 2 2 230.355 2.324 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336767181 387122959 /nfs/dbraw/zinc/12/29/59/387122959.db2.gz SIWGWWPVWWXBGC-WOPDTQHZSA-N 2 2 230.421 2.058 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336767181 387122963 /nfs/dbraw/zinc/12/29/63/387122963.db2.gz SIWGWWPVWWXBGC-WOPDTQHZSA-N 2 2 230.421 2.058 20 0 BEADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335030290 387124556 /nfs/dbraw/zinc/12/45/56/387124556.db2.gz BJIGOUCKZZPFCK-FZMZJTMJSA-N 2 2 246.354 2.111 20 0 BEADLP Oc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335030299 387125261 /nfs/dbraw/zinc/12/52/61/387125261.db2.gz BJIGOUCKZZPFCK-SMDDNHRTSA-N 2 2 246.354 2.111 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423306333 387141804 /nfs/dbraw/zinc/14/18/04/387141804.db2.gz DLZORDVRPLVPEH-CYBMUJFWSA-N 2 2 249.402 2.403 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccccc21 ZINC000423308956 387144099 /nfs/dbraw/zinc/14/40/99/387144099.db2.gz KIOFYJQOZFMSCD-AWEZNQCLSA-N 2 2 218.344 2.263 20 0 BEADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423309408 387146398 /nfs/dbraw/zinc/14/63/98/387146398.db2.gz ZNPGFDHRNHFRFM-VZJVUDMVSA-N 2 2 248.345 2.401 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccsc1 ZINC000423314553 387153152 /nfs/dbraw/zinc/15/31/52/387153152.db2.gz WFSVJBNVMZGIPN-JTQLQIEISA-N 2 2 212.362 2.398 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000423319419 387158900 /nfs/dbraw/zinc/15/89/00/387158900.db2.gz ZWTWKMTWUZWPJX-NSHDSACASA-N 2 2 224.323 2.476 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130038 387160089 /nfs/dbraw/zinc/16/00/89/387160089.db2.gz UDHRSEZGBDALHC-OLZOCXBDSA-N 2 2 224.392 2.449 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130038 387160092 /nfs/dbraw/zinc/16/00/92/387160092.db2.gz UDHRSEZGBDALHC-OLZOCXBDSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccncc1 ZINC000423319483 387160954 /nfs/dbraw/zinc/16/09/54/387160954.db2.gz ZYWPBNACUOUATQ-ZDUSSCGKSA-N 2 2 221.348 2.122 20 0 BEADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[NH2+]CCOC ZINC000423319808 387162967 /nfs/dbraw/zinc/16/29/67/387162967.db2.gz DBVUTZZHXMZGAK-MJBXVCDLSA-N 2 2 242.407 2.027 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)o1 ZINC000423321692 387165290 /nfs/dbraw/zinc/16/52/90/387165290.db2.gz NMPDLDMLPXCOBD-BXKDBHETSA-N 2 2 222.332 2.230 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423323638 387168419 /nfs/dbraw/zinc/16/84/19/387168419.db2.gz JXOYYOZKCQSXBH-YPMHNXCESA-N 2 2 236.359 2.392 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000193126810 387168731 /nfs/dbraw/zinc/16/87/31/387168731.db2.gz ZPCIUTGSVGNKDN-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000193126810 387168733 /nfs/dbraw/zinc/16/87/33/387168733.db2.gz ZPCIUTGSVGNKDN-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)o1 ZINC000423329944 387174149 /nfs/dbraw/zinc/17/41/49/387174149.db2.gz PACBGFRLVWUBAP-SNVBAGLBSA-N 2 2 222.332 2.374 20 0 BEADLP CC(C)C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccn1 ZINC000423332309 387177350 /nfs/dbraw/zinc/17/73/50/387177350.db2.gz UXXNEHWEANAIDK-UKRRQHHQSA-N 2 2 247.386 2.496 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423333671 387180416 /nfs/dbraw/zinc/18/04/16/387180416.db2.gz SBGFLHKRPJOVIK-NSHDSACASA-N 2 2 233.359 2.176 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]CCOC)C1CCCCC1 ZINC000423333830 387181982 /nfs/dbraw/zinc/18/19/82/387181982.db2.gz WBNCVMZAKWTSHH-AWEZNQCLSA-N 2 2 242.407 2.171 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)no1 ZINC000423335513 387184256 /nfs/dbraw/zinc/18/42/56/387184256.db2.gz IZSMOPVJGDFPFZ-AAEUAGOBSA-N 2 2 237.347 2.023 20 0 BEADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423302736 387134314 /nfs/dbraw/zinc/13/43/14/387134314.db2.gz KBFGXGKOEAQEKU-AEGPPILISA-N 2 2 248.370 2.104 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnn(CC)c1 ZINC000423303999 387136906 /nfs/dbraw/zinc/13/69/06/387136906.db2.gz XXRYGDDDUSLVTH-DGCLKSJQSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@H](C[NH3+])N[C@@H](C)c1[nH+]ccn1CC ZINC000423303742 387136971 /nfs/dbraw/zinc/13/69/71/387136971.db2.gz XIRSIUFCMOXENE-NWDGAFQWSA-N 2 2 238.379 2.071 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1nccn1CC ZINC000423303742 387136972 /nfs/dbraw/zinc/13/69/72/387136972.db2.gz XIRSIUFCMOXENE-NWDGAFQWSA-N 2 2 238.379 2.071 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303863 387137887 /nfs/dbraw/zinc/13/78/87/387137887.db2.gz MSPMUCDUUJXQJL-WHOFXGATSA-N 2 2 230.355 2.262 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccco1 ZINC000423304564 387138964 /nfs/dbraw/zinc/13/89/64/387138964.db2.gz YZJHUGRANWZOPP-MNOVXSKESA-N 2 2 210.321 2.448 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1F ZINC000423353980 387206010 /nfs/dbraw/zinc/20/60/10/387206010.db2.gz CJBWASABEYVLTH-SUNKGSAMSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1F ZINC000423353978 387206085 /nfs/dbraw/zinc/20/60/85/387206085.db2.gz CJBWASABEYVLTH-COPLHBTASA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(F)cc1 ZINC000423359112 387210569 /nfs/dbraw/zinc/21/05/69/387210569.db2.gz KGGOJPOTHMXNOV-COPLHBTASA-N 2 2 236.334 2.474 20 0 BEADLP COCCCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000572015780 387215207 /nfs/dbraw/zinc/21/52/07/387215207.db2.gz QBSZLOPXWJTNGF-UHFFFAOYSA-N 2 2 240.391 2.006 20 0 BEADLP COCCCCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000572015780 387215213 /nfs/dbraw/zinc/21/52/13/387215213.db2.gz QBSZLOPXWJTNGF-UHFFFAOYSA-N 2 2 240.391 2.006 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccncc1F ZINC000423365041 387216796 /nfs/dbraw/zinc/21/67/96/387216796.db2.gz PBNCWWCJYACVPF-GHMZBOCLSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423368373 387221113 /nfs/dbraw/zinc/22/11/13/387221113.db2.gz ZNPGFDHRNHFRFM-ZBINZKHDSA-N 2 2 248.345 2.401 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423371576 387224918 /nfs/dbraw/zinc/22/49/18/387224918.db2.gz AKVIJDHJONMQQJ-RISCZKNCSA-N 2 2 248.370 2.357 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000423373878 387230568 /nfs/dbraw/zinc/23/05/68/387230568.db2.gz SLBKJWKMJSKOGU-IUCAKERBSA-N 2 2 239.388 2.020 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423401526 387238949 /nfs/dbraw/zinc/23/89/49/387238949.db2.gz QYBYVSVIKJVSDN-VHSXEESVSA-N 2 2 224.373 2.406 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C2 ZINC000353606007 387241498 /nfs/dbraw/zinc/24/14/98/387241498.db2.gz CXBJSKNNBLBFRG-AGIUHOORSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)CC2 ZINC000353606007 387241500 /nfs/dbraw/zinc/24/15/00/387241500.db2.gz CXBJSKNNBLBFRG-AGIUHOORSA-N 2 2 245.370 2.435 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)Cc2ccon2)c[nH+]1 ZINC000353648679 387247661 /nfs/dbraw/zinc/24/76/61/387247661.db2.gz JXLLJDBPQSDYCJ-UHFFFAOYSA-N 2 2 245.326 2.443 20 0 BEADLP Cc1ccc(CCC[N@H+](C)Cc2ccon2)c[nH+]1 ZINC000353648679 387247665 /nfs/dbraw/zinc/24/76/65/387247665.db2.gz JXLLJDBPQSDYCJ-UHFFFAOYSA-N 2 2 245.326 2.443 20 0 BEADLP Cc1nc(NCC2([NH+](C)C)CCCC2)cc[nH+]1 ZINC000097635435 387251122 /nfs/dbraw/zinc/25/11/22/387251122.db2.gz XPAGMXXNAXWRJV-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)Cc2cc[nH]n2)c[nH+]1 ZINC000353656015 387251329 /nfs/dbraw/zinc/25/13/29/387251329.db2.gz ZEPLWAOYPNYGHN-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1ccc(CCC[N@H+](C)Cc2cc[nH]n2)c[nH+]1 ZINC000353656015 387251330 /nfs/dbraw/zinc/25/13/30/387251330.db2.gz ZEPLWAOYPNYGHN-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C(C)C)cc1 ZINC000423344886 387196020 /nfs/dbraw/zinc/19/60/20/387196020.db2.gz XEFSWEOHIZBYIO-HUUCEWRRSA-N 2 2 248.370 2.139 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423463098 387310402 /nfs/dbraw/zinc/31/04/02/387310402.db2.gz LBYHBQIDRGIBEB-WCQYABFASA-N 2 2 234.343 2.227 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423463163 387310829 /nfs/dbraw/zinc/31/08/29/387310829.db2.gz LEYGDAHANYRSSN-WCBMZHEXSA-N 2 2 228.286 2.353 20 0 BEADLP CCS[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000286124231 387314741 /nfs/dbraw/zinc/31/47/41/387314741.db2.gz MIXDVYDDBCKMQJ-NEPJUHHUSA-N 2 2 239.388 2.147 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423467081 387315336 /nfs/dbraw/zinc/31/53/36/387315336.db2.gz NXRMQMHDWRYEPX-AAEUAGOBSA-N 2 2 239.338 2.245 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1csc(Cl)c1 ZINC000423429313 387254971 /nfs/dbraw/zinc/25/49/71/387254971.db2.gz KELDVWDNYZUXQD-WGNDUZGJSA-N 2 2 242.775 2.270 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423378229 387259768 /nfs/dbraw/zinc/25/97/68/387259768.db2.gz WGZDMFJKNWNHKU-BQBZGAKWSA-N 2 2 218.753 2.399 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423390395 387276837 /nfs/dbraw/zinc/27/68/37/387276837.db2.gz VXKSQUYCQMUWAS-VXGBXAGGSA-N 2 2 248.370 2.365 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000360461813 387291513 /nfs/dbraw/zinc/29/15/13/387291513.db2.gz VVOHZXUAQRLBMC-YPMHNXCESA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1CCn1cc[nH+]c1C ZINC000360461813 387291515 /nfs/dbraw/zinc/29/15/15/387291515.db2.gz VVOHZXUAQRLBMC-YPMHNXCESA-N 2 2 221.348 2.312 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(F)c1 ZINC000423442892 387293295 /nfs/dbraw/zinc/29/32/95/387293295.db2.gz KGEWRKKLUQPVRY-GUBZILKMSA-N 2 2 240.322 2.221 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000162050735 387301126 /nfs/dbraw/zinc/30/11/26/387301126.db2.gz RQGKYBXANVBEPA-MRVPVSSYSA-N 2 2 232.249 2.142 20 0 BEADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCCOC3)CC2)[nH+]1 ZINC000336473300 387302077 /nfs/dbraw/zinc/30/20/77/387302077.db2.gz HQWNMJSITDALJD-GFCCVEGCSA-N 2 2 249.358 2.016 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423455813 387303460 /nfs/dbraw/zinc/30/34/60/387303460.db2.gz CXSWYYTXMUGEAG-PRHODGIISA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423455812 387303655 /nfs/dbraw/zinc/30/36/55/387303655.db2.gz CXSWYYTXMUGEAG-PELKAZGASA-N 2 2 228.286 2.353 20 0 BEADLP Cc1nc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cs1 ZINC000643452647 387303908 /nfs/dbraw/zinc/30/39/08/387303908.db2.gz WDJCNABWKBPXKU-NWDGAFQWSA-N 2 2 239.388 2.201 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423456904 387303931 /nfs/dbraw/zinc/30/39/31/387303931.db2.gz DWHQWNNRAPVXSY-ZYHUDNBSSA-N 2 2 221.348 2.032 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1sccc1OC ZINC000423458748 387305531 /nfs/dbraw/zinc/30/55/31/387305531.db2.gz HEWYGTYLOFOKJG-DTWKUNHWSA-N 2 2 228.361 2.145 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000643501440 387354157 /nfs/dbraw/zinc/35/41/57/387354157.db2.gz GRWFNPRWGUFGSI-ONGXEEELSA-N 2 2 239.388 2.244 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCCC[C@@H]2O)c[nH+]1 ZINC000354318667 387360154 /nfs/dbraw/zinc/36/01/54/387360154.db2.gz MPOUCWKFWRKYMV-GJZGRUSLSA-N 2 2 248.370 2.216 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000423533930 387360584 /nfs/dbraw/zinc/36/05/84/387360584.db2.gz UTTKTCDUHSVQJP-CMPLNLGQSA-N 2 2 222.332 2.448 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000643502883 387362890 /nfs/dbraw/zinc/36/28/90/387362890.db2.gz UNKNZLMZHSFGDQ-JSGCOSHPSA-N 2 2 233.359 2.183 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556891 387374509 /nfs/dbraw/zinc/37/45/09/387374509.db2.gz MXQVUYQKTRXDEY-OLZOCXBDSA-N 2 2 248.370 2.488 20 0 BEADLP c1[nH]cc(C2CC[NH+](CC3CCOCC3)CC2)[nH+]1 ZINC000336553925 387375376 /nfs/dbraw/zinc/37/53/76/387375376.db2.gz HPBQGYRLMPEKKL-UHFFFAOYSA-N 2 2 249.358 2.016 20 0 BEADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccncc1F ZINC000423572108 387379077 /nfs/dbraw/zinc/37/90/77/387379077.db2.gz YGLLYXLTMRWKJP-JTQLQIEISA-N 2 2 237.322 2.013 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cs1 ZINC000423568630 387379128 /nfs/dbraw/zinc/37/91/28/387379128.db2.gz VTCIMEBJMCKENW-SECBINFHSA-N 2 2 239.388 2.244 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cs1 ZINC000423568631 387379295 /nfs/dbraw/zinc/37/92/95/387379295.db2.gz VTCIMEBJMCKENW-VIFPVBQESA-N 2 2 239.388 2.244 20 0 BEADLP COC[C@@H]1CC[N@@H+]1CCCc1ccc(C)[nH+]c1 ZINC000354056444 387321015 /nfs/dbraw/zinc/32/10/15/387321015.db2.gz IECSHCRYYKSAPH-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP COC[C@@H]1CC[N@H+]1CCCc1ccc(C)[nH+]c1 ZINC000354056444 387321017 /nfs/dbraw/zinc/32/10/17/387321017.db2.gz IECSHCRYYKSAPH-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000423484082 387330078 /nfs/dbraw/zinc/33/00/78/387330078.db2.gz YHSFJTZDGKLYFD-WCBMZHEXSA-N 2 2 227.739 2.123 20 0 BEADLP CC(C)OCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000515073817 387331164 /nfs/dbraw/zinc/33/11/64/387331164.db2.gz UKZLTVIKHMYYMW-UHFFFAOYSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)OCCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000515073817 387331171 /nfs/dbraw/zinc/33/11/71/387331171.db2.gz UKZLTVIKHMYYMW-UHFFFAOYSA-N 2 2 240.391 2.005 20 0 BEADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000354123687 387333542 /nfs/dbraw/zinc/33/35/42/387333542.db2.gz BAYNQXJWBYOUEV-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000354123687 387333545 /nfs/dbraw/zinc/33/35/45/387333545.db2.gz BAYNQXJWBYOUEV-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000336512496 387335699 /nfs/dbraw/zinc/33/56/99/387335699.db2.gz ROIMLNGXXWGACM-LBPRGKRZSA-N 2 2 242.326 2.117 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C)cc1 ZINC000423520961 387353208 /nfs/dbraw/zinc/35/32/08/387353208.db2.gz KUDFTFGTCNKWDE-GJZGRUSLSA-N 2 2 248.370 2.024 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501752 387353978 /nfs/dbraw/zinc/35/39/78/387353978.db2.gz PHKBGHHAONKCNC-CHWSQXEVSA-N 2 2 233.359 2.183 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506797 387462054 /nfs/dbraw/zinc/46/20/54/387462054.db2.gz IXQKHILPUDEKPH-JTQLQIEISA-N 2 2 224.373 2.021 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)CCO1 ZINC000648485756 387387296 /nfs/dbraw/zinc/38/72/96/387387296.db2.gz BTKJVRFBILIQQM-LSDHHAIUSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000336565702 387391103 /nfs/dbraw/zinc/39/11/03/387391103.db2.gz RIPQMFVFXCBMIU-CMPLNLGQSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000336565702 387391107 /nfs/dbraw/zinc/39/11/07/387391107.db2.gz RIPQMFVFXCBMIU-CMPLNLGQSA-N 2 2 242.326 2.013 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)c2cn[nH]c2)c[nH+]1 ZINC000354553867 387394353 /nfs/dbraw/zinc/39/43/53/387394353.db2.gz WLVYWLFLBQPINW-GFCCVEGCSA-N 2 2 244.342 2.397 20 0 BEADLP COc1cccc2c1CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506410 387460306 /nfs/dbraw/zinc/46/03/06/387460306.db2.gz VZMSGWSXYLDISG-AWEZNQCLSA-N 2 2 246.354 2.024 20 0 BEADLP CC[C@]1(O)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354632592 387406525 /nfs/dbraw/zinc/40/65/25/387406525.db2.gz HHADAWHATYEJCP-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@]1(O)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000354632592 387406529 /nfs/dbraw/zinc/40/65/29/387406529.db2.gz HHADAWHATYEJCP-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@H](O)[C@H](C)C2)c[nH+]1 ZINC000354630006 387406756 /nfs/dbraw/zinc/40/67/56/387406756.db2.gz CVQYSPKUSJZFGZ-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@H](O)[C@H](C)C2)c[nH+]1 ZINC000354630006 387406761 /nfs/dbraw/zinc/40/67/61/387406761.db2.gz CVQYSPKUSJZFGZ-DOMZBBRYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](O)C2(C)C)c[nH+]1 ZINC000354634320 387406844 /nfs/dbraw/zinc/40/68/44/387406844.db2.gz JBSDUDZAOQHIGD-ZIAGYGMSSA-N 2 2 248.370 2.072 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](O)C2(C)C)c[nH+]1 ZINC000354634318 387407838 /nfs/dbraw/zinc/40/78/38/387407838.db2.gz JBSDUDZAOQHIGD-KGLIPLIRSA-N 2 2 248.370 2.072 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H]([C@@H](C)O)C2)c[nH+]1 ZINC000354639918 387409799 /nfs/dbraw/zinc/40/97/99/387409799.db2.gz UFKQCHIUKFEJKL-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c[nH+]1 ZINC000354639918 387409801 /nfs/dbraw/zinc/40/98/01/387409801.db2.gz UFKQCHIUKFEJKL-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923873 387534918 /nfs/dbraw/zinc/53/49/18/387534918.db2.gz LZKBICGZEYGMAO-JOYOIKCWSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923873 387534921 /nfs/dbraw/zinc/53/49/21/387534921.db2.gz LZKBICGZEYGMAO-JOYOIKCWSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000527220057 387536888 /nfs/dbraw/zinc/53/68/88/387536888.db2.gz RQXBENSFSZHNFW-VXGBXAGGSA-N 2 2 237.322 2.268 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506165 387466608 /nfs/dbraw/zinc/46/66/08/387466608.db2.gz MLRXXSNNWONSCO-AWEZNQCLSA-N 2 2 216.328 2.016 20 0 BEADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH2+]C1CC1 ZINC000643506309 387466765 /nfs/dbraw/zinc/46/67/65/387466765.db2.gz RIXQDDDUUGNVIG-NSHDSACASA-N 2 2 236.334 2.098 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[NH+](C)C ZINC000648498050 387468112 /nfs/dbraw/zinc/46/81/12/387468112.db2.gz GRHCOZMDMSATJI-CZUORRHYSA-N 2 2 246.398 2.474 20 0 BEADLP CC[N@H+](CC[NH2+]CC1(SC)CCC1)C1CC1 ZINC000304369507 387470630 /nfs/dbraw/zinc/47/06/30/387470630.db2.gz ZZKOJZGBTXOKHR-UHFFFAOYSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+](CC[NH2+]CC1(SC)CCC1)C1CC1 ZINC000304369507 387470634 /nfs/dbraw/zinc/47/06/34/387470634.db2.gz ZZKOJZGBTXOKHR-UHFFFAOYSA-N 2 2 242.432 2.346 20 0 BEADLP c1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643506951 387472911 /nfs/dbraw/zinc/47/29/11/387472911.db2.gz NRPWUVUUEZYKSU-OAHLLOKOSA-N 2 2 230.355 2.479 20 0 BEADLP CC[N@H+](CCC1CC1)CCn1cc[nH+]c1 ZINC000355067294 387473803 /nfs/dbraw/zinc/47/38/03/387473803.db2.gz OZEXEEUWUMEEGB-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC[N@@H+](CCC1CC1)CCn1cc[nH+]c1 ZINC000355067294 387473808 /nfs/dbraw/zinc/47/38/08/387473808.db2.gz OZEXEEUWUMEEGB-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP Fc1cncc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507392 387484734 /nfs/dbraw/zinc/48/47/34/387484734.db2.gz BNTBESYEOSMTSR-AWEZNQCLSA-N 2 2 249.333 2.013 20 0 BEADLP Cc1occc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000643472215 387485527 /nfs/dbraw/zinc/48/55/27/387485527.db2.gz IEBJQCVISCIURP-GWCFXTLKSA-N 2 2 222.332 2.208 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@@H](O)C(C)(C)C2)c[nH+]1 ZINC000355129287 387485624 /nfs/dbraw/zinc/48/56/24/387485624.db2.gz WMXZGTDEUHWKKJ-CQSZACIVSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@@H](O)C(C)(C)C2)c[nH+]1 ZINC000355129287 387485629 /nfs/dbraw/zinc/48/56/29/387485629.db2.gz WMXZGTDEUHWKKJ-CQSZACIVSA-N 2 2 248.370 2.025 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396701566 387486291 /nfs/dbraw/zinc/48/62/91/387486291.db2.gz NFJZOLFJNSGMNI-SWLSCSKDSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@H+](C)C1CC1 ZINC000122195719 387489857 /nfs/dbraw/zinc/48/98/57/387489857.db2.gz QKCLWWLTCVUZEY-QWHCGFSZSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[N@@H+](C)C1CC1 ZINC000122195719 387489861 /nfs/dbraw/zinc/48/98/61/387489861.db2.gz QKCLWWLTCVUZEY-QWHCGFSZSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cccnc21 ZINC000643511304 387593528 /nfs/dbraw/zinc/59/35/28/387593528.db2.gz XARJDLGSRZXKNC-ZIAGYGMSSA-N 2 2 247.386 2.422 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)s1 ZINC000643511796 387594759 /nfs/dbraw/zinc/59/47/59/387594759.db2.gz OJEXENINNSAVFU-LDYMZIIASA-N 2 2 241.404 2.394 20 0 BEADLP CCc1nc([C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+])cs1 ZINC000422701831 387617730 /nfs/dbraw/zinc/61/77/30/387617730.db2.gz CREIKZZTYKKIQU-AEJSXWLSSA-N 2 2 241.404 2.482 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1ccc(F)cc1F)C1CC1 ZINC000430556844 387627006 /nfs/dbraw/zinc/62/70/06/387627006.db2.gz LOEOXRRJYADOLS-CYBMUJFWSA-N 2 2 240.297 2.182 20 0 BEADLP c1cn(CC[NH+]2CCC3(CCC3)CC2)c[nH+]1 ZINC000375737490 387577672 /nfs/dbraw/zinc/57/76/72/387577672.db2.gz COSHJZNUPQCRPU-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP CCc1noc(C)c1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430580533 387630063 /nfs/dbraw/zinc/63/00/63/387630063.db2.gz HWNXUWJGHIBWQQ-ZDUSSCGKSA-N 2 2 239.363 2.008 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000440775014 387694706 /nfs/dbraw/zinc/69/47/06/387694706.db2.gz LQORGHKXUOXYLL-KGLIPLIRSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000440775014 387694713 /nfs/dbraw/zinc/69/47/13/387694713.db2.gz LQORGHKXUOXYLL-KGLIPLIRSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000440775014 387694715 /nfs/dbraw/zinc/69/47/15/387694715.db2.gz LQORGHKXUOXYLL-KGLIPLIRSA-N 2 2 242.382 2.398 20 0 BEADLP CC[C@H](F)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000440775014 387694719 /nfs/dbraw/zinc/69/47/19/387694719.db2.gz LQORGHKXUOXYLL-KGLIPLIRSA-N 2 2 242.382 2.398 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422722261 387633046 /nfs/dbraw/zinc/63/30/46/387633046.db2.gz XKEVTVKOTLBKFL-KBPBESRZSA-N 2 2 248.370 2.443 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527638613 387648726 /nfs/dbraw/zinc/64/87/26/387648726.db2.gz XTQYAPPKLAQGCY-XWUBHJNHSA-N 2 2 233.359 2.296 20 0 BEADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422748104 387653895 /nfs/dbraw/zinc/65/38/95/387653895.db2.gz RZGSADJSMLZMNE-IUCAKERBSA-N 2 2 240.297 2.223 20 0 BEADLP Cc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422753975 387658376 /nfs/dbraw/zinc/65/83/76/387658376.db2.gz JCUPDQWIOGUIRI-DZGCQCFKSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCc1c(F)cccc1Cl ZINC000430919915 387660515 /nfs/dbraw/zinc/66/05/15/387660515.db2.gz MZDNXRYPFFMZRJ-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCc1c(F)cccc1Cl ZINC000430919915 387660521 /nfs/dbraw/zinc/66/05/21/387660521.db2.gz MZDNXRYPFFMZRJ-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527655986 387662216 /nfs/dbraw/zinc/66/22/16/387662216.db2.gz UETKAUVQRSLDPF-JLUCKKNBSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527655986 387662219 /nfs/dbraw/zinc/66/22/19/387662219.db2.gz UETKAUVQRSLDPF-JLUCKKNBSA-N 2 2 236.403 2.493 20 0 BEADLP CO[C@@H](C)[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000356521775 387669894 /nfs/dbraw/zinc/66/98/94/387669894.db2.gz KIUYAZMTRBURGF-STQMWFEESA-N 2 2 236.359 2.336 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714007 387669945 /nfs/dbraw/zinc/66/99/45/387669945.db2.gz YDJWVYMNYCHPOS-BQUFFADESA-N 2 2 245.370 2.291 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714007 387669949 /nfs/dbraw/zinc/66/99/49/387669949.db2.gz YDJWVYMNYCHPOS-BQUFFADESA-N 2 2 245.370 2.291 20 0 BEADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781019 387680170 /nfs/dbraw/zinc/68/01/70/387680170.db2.gz JZKPHQONTFDZSE-XBFCOCLRSA-N 2 2 233.359 2.263 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781015 387680332 /nfs/dbraw/zinc/68/03/32/387680332.db2.gz JZKPHQONTFDZSE-IACUBPJLSA-N 2 2 233.359 2.263 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000044558450 387685973 /nfs/dbraw/zinc/68/59/73/387685973.db2.gz ZOFCFNDNYAHGTG-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000044558450 387685976 /nfs/dbraw/zinc/68/59/76/387685976.db2.gz ZOFCFNDNYAHGTG-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527697578 387687035 /nfs/dbraw/zinc/68/70/35/387687035.db2.gz SLPDUCIZSPXLFL-XBFCOCLRSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000422861221 387744098 /nfs/dbraw/zinc/74/40/98/387744098.db2.gz NOLVMZZWQFJMFQ-UPJWGTAASA-N 2 2 242.407 2.168 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000422861219 387744556 /nfs/dbraw/zinc/74/45/56/387744556.db2.gz NOLVMZZWQFJMFQ-AGIUHOORSA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000643525973 387756307 /nfs/dbraw/zinc/75/63/07/387756307.db2.gz KYPNTHSELMALGR-RQJHMYQMSA-N 2 2 218.753 2.399 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)[NH+](C)C ZINC000222010439 387748353 /nfs/dbraw/zinc/74/83/53/387748353.db2.gz TZLSQXWXOVWFIB-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP COc1ccc[nH+]c1NCCC[NH+]1CCCCC1 ZINC000527831450 387749068 /nfs/dbraw/zinc/74/90/68/387749068.db2.gz KQQQMZHJSDDLFU-UHFFFAOYSA-N 2 2 249.358 2.378 20 0 BEADLP c1cn(CCC[N@@H+]2CC3CCC2CC3)c[nH+]1 ZINC000367764433 387749462 /nfs/dbraw/zinc/74/94/62/387749462.db2.gz XPJNMDDNSMIFNQ-UHFFFAOYSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CC3CCC2CC3)c[nH+]1 ZINC000367764433 387749469 /nfs/dbraw/zinc/74/94/69/387749469.db2.gz XPJNMDDNSMIFNQ-UHFFFAOYSA-N 2 2 219.332 2.148 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC12CC2 ZINC000527842489 387750688 /nfs/dbraw/zinc/75/06/88/387750688.db2.gz KIAMTKAFEXANOX-QWRGUYRKSA-N 2 2 210.365 2.105 20 0 BEADLP CCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422869462 387750898 /nfs/dbraw/zinc/75/08/98/387750898.db2.gz AEFWIPDDBDCCSE-KBPBESRZSA-N 2 2 248.370 2.363 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527841262 387750941 /nfs/dbraw/zinc/75/09/41/387750941.db2.gz BNSDACGLNDNBGN-NWDGAFQWSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccco1)CCC2 ZINC000377830342 387752916 /nfs/dbraw/zinc/75/29/16/387752916.db2.gz CRYXOJBVYLSGIP-LBPRGKRZSA-N 2 2 245.326 2.452 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527847045 387753558 /nfs/dbraw/zinc/75/35/58/387753558.db2.gz NTFBAGNZJOQAEB-JHJVBQTASA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527847045 387753561 /nfs/dbraw/zinc/75/35/61/387753561.db2.gz NTFBAGNZJOQAEB-JHJVBQTASA-N 2 2 222.376 2.249 20 0 BEADLP c1[nH]cc(C2CC[NH+](CCOC3CCC3)CC2)[nH+]1 ZINC000367795992 387753961 /nfs/dbraw/zinc/75/39/61/387753961.db2.gz XCPLSPXCKWARGP-UHFFFAOYSA-N 2 2 249.358 2.158 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643521196 387710423 /nfs/dbraw/zinc/71/04/23/387710423.db2.gz SCHJXUFBLDXUFW-BNOWGMLFSA-N 2 2 245.370 2.047 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000527804864 387727926 /nfs/dbraw/zinc/72/79/26/387727926.db2.gz CACJQOKOSMNREE-FZMZJTMJSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000527804864 387727934 /nfs/dbraw/zinc/72/79/34/387727934.db2.gz CACJQOKOSMNREE-FZMZJTMJSA-N 2 2 222.376 2.391 20 0 BEADLP c1[nH]c(C[NH+]2CCC3(CCC3)CC2)c[nH+]1 ZINC000367584707 387729924 /nfs/dbraw/zinc/72/99/24/387729924.db2.gz KMTQBTSFQGJUEQ-UHFFFAOYSA-N 2 2 205.305 2.176 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528774098 387734201 /nfs/dbraw/zinc/73/42/01/387734201.db2.gz SZDPWWDOKUJXSW-SNVBAGLBSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c[nH+]1 ZINC000128078465 387735741 /nfs/dbraw/zinc/73/57/41/387735741.db2.gz ZHHRAXFEIPUVMH-NEPJUHHUSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c[nH+]1 ZINC000128078465 387735747 /nfs/dbraw/zinc/73/57/47/387735747.db2.gz ZHHRAXFEIPUVMH-NEPJUHHUSA-N 2 2 219.332 2.285 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000643526062 387755929 /nfs/dbraw/zinc/75/59/29/387755929.db2.gz OKSBKHMHNLPSAE-KCJUWKMLSA-N 2 2 240.347 2.299 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527867413 387740942 /nfs/dbraw/zinc/74/09/42/387740942.db2.gz JREGCWIPOOIXNP-CIQGVGRVSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CC12CC2 ZINC000527867413 387740948 /nfs/dbraw/zinc/74/09/48/387740948.db2.gz JREGCWIPOOIXNP-CIQGVGRVSA-N 2 2 234.387 2.390 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356886644 387741646 /nfs/dbraw/zinc/74/16/46/387741646.db2.gz YBGCDPUPUWSZHE-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356886644 387741651 /nfs/dbraw/zinc/74/16/51/387741651.db2.gz YBGCDPUPUWSZHE-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]([NH2+]Cc1ccc(C)nc1)[C@@H]1CCC[NH2+]1 ZINC000422890318 387762510 /nfs/dbraw/zinc/76/25/10/387762510.db2.gz IDAVGQUOMSCPOH-KBPBESRZSA-N 2 2 233.359 2.010 20 0 BEADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528187 387767418 /nfs/dbraw/zinc/76/74/18/387767418.db2.gz FHHPLRPFQBRTOS-RKDXNWHRSA-N 2 2 242.750 2.346 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000643528513 387768942 /nfs/dbraw/zinc/76/89/42/387768942.db2.gz KJFHOPFLSZINSW-YUMQZZPRSA-N 2 2 230.714 2.477 20 0 BEADLP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422908667 387769551 /nfs/dbraw/zinc/76/95/51/387769551.db2.gz DOGMRPUZTIQPHY-KBPBESRZSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643529394 387777530 /nfs/dbraw/zinc/77/75/30/387777530.db2.gz ZESUHCVLBZIETJ-WDEREUQCSA-N 2 2 222.332 2.001 20 0 BEADLP COc1ccc[nH+]c1NCCCn1cc[nH+]c1C ZINC000527900575 387779106 /nfs/dbraw/zinc/77/91/06/387779106.db2.gz DHTCBQHTMPCRPR-UHFFFAOYSA-N 2 2 246.314 2.097 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422926639 387779516 /nfs/dbraw/zinc/77/95/16/387779516.db2.gz XEMQCZPVBPDSAJ-OJLVUWQFSA-N 2 2 244.382 2.205 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527942036 387782034 /nfs/dbraw/zinc/78/20/34/387782034.db2.gz APHRRBBWKPBFLN-RISCZKNCSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC=CC1 ZINC000527942036 387782037 /nfs/dbraw/zinc/78/20/37/387782037.db2.gz APHRRBBWKPBFLN-RISCZKNCSA-N 2 2 220.360 2.025 20 0 BEADLP CO[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049574992 387786248 /nfs/dbraw/zinc/78/62/48/387786248.db2.gz JSNMUIRTQUXWPA-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC000309506221 387812845 /nfs/dbraw/zinc/81/28/45/387812845.db2.gz VZBOYDTZHKNVSZ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC000309506221 387812847 /nfs/dbraw/zinc/81/28/47/387812847.db2.gz VZBOYDTZHKNVSZ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP COC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952899 387809112 /nfs/dbraw/zinc/80/91/12/387809112.db2.gz COAVKFWHDBHNIN-NWANDNLSSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000422958507 387810891 /nfs/dbraw/zinc/81/08/91/387810891.db2.gz PJDAQTPSNJZBSU-SUNKGSAMSA-N 2 2 216.328 2.186 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@H+](C)C1CC1 ZINC000527857953 387756694 /nfs/dbraw/zinc/75/66/94/387756694.db2.gz FUUJPKAAPVQUPO-NTZNESFSSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@@H+](C)C1CC1 ZINC000527857953 387756701 /nfs/dbraw/zinc/75/67/01/387756701.db2.gz FUUJPKAAPVQUPO-NTZNESFSSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@H+](C)C1CC1 ZINC000527857951 387758400 /nfs/dbraw/zinc/75/84/00/387758400.db2.gz FUUJPKAAPVQUPO-MDZLAQPJSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@@H+](C)C1CC1 ZINC000527857951 387758406 /nfs/dbraw/zinc/75/84/06/387758406.db2.gz FUUJPKAAPVQUPO-MDZLAQPJSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527861019 387760258 /nfs/dbraw/zinc/76/02/58/387760258.db2.gz ZMZLZOGOTFAHFJ-LOWVWBTDSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527861019 387760261 /nfs/dbraw/zinc/76/02/61/387760261.db2.gz ZMZLZOGOTFAHFJ-LOWVWBTDSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1csc(Cl)c1 ZINC000643526915 387760736 /nfs/dbraw/zinc/76/07/36/387760736.db2.gz HLJTXXBYKDRGSP-NKWVEPMBSA-N 2 2 218.753 2.399 20 0 BEADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H](C)[NH3+])CCC2 ZINC000643527064 387760752 /nfs/dbraw/zinc/76/07/52/387760752.db2.gz CPNBSMLAVXXBPL-DTWKUNHWSA-N 2 2 239.388 2.020 20 0 BEADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C1CC1)CCC2 ZINC000378005518 387761229 /nfs/dbraw/zinc/76/12/29/387761229.db2.gz OAJUSHWIGUOHGG-YPMHNXCESA-N 2 2 233.359 2.457 20 0 BEADLP COc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000442667146 387820120 /nfs/dbraw/zinc/82/01/20/387820120.db2.gz YGJAXQUTODAHIU-RISCZKNCSA-N 2 2 234.343 2.179 20 0 BEADLP COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC000442667146 387820125 /nfs/dbraw/zinc/82/01/25/387820125.db2.gz YGJAXQUTODAHIU-RISCZKNCSA-N 2 2 234.343 2.179 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014387 387822000 /nfs/dbraw/zinc/82/20/00/387822000.db2.gz VAZLNNIPFWSSRT-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014387 387822005 /nfs/dbraw/zinc/82/20/05/387822005.db2.gz VAZLNNIPFWSSRT-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015529 387822065 /nfs/dbraw/zinc/82/20/65/387822065.db2.gz YMZZIKLAJQFBAZ-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015529 387822070 /nfs/dbraw/zinc/82/20/70/387822070.db2.gz YMZZIKLAJQFBAZ-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)C[C@H]([NH3+])c1noc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000442741619 387832915 /nfs/dbraw/zinc/83/29/15/387832915.db2.gz BMDXZYHOVZJWAW-DTWKUNHWSA-N 2 2 240.351 2.161 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442786907 387838376 /nfs/dbraw/zinc/83/83/76/387838376.db2.gz XQVCNNWIIDQILH-HTAVTVPLSA-N 2 2 246.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(F)F)CC1 ZINC000442786907 387838380 /nfs/dbraw/zinc/83/83/80/387838380.db2.gz XQVCNNWIIDQILH-HTAVTVPLSA-N 2 2 246.345 2.494 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423014804 387839365 /nfs/dbraw/zinc/83/93/65/387839365.db2.gz JLBVWIHDYIVADJ-HUBLWGQQSA-N 2 2 247.386 2.435 20 0 BEADLP C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423015744 387839424 /nfs/dbraw/zinc/83/94/24/387839424.db2.gz RKQCEVAQASCDRV-GLQYFDAESA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423044451 387854848 /nfs/dbraw/zinc/85/48/48/387854848.db2.gz ANVYXTOULOYTLW-UTLUCORTSA-N 2 2 238.297 2.305 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1F ZINC000643535460 387854985 /nfs/dbraw/zinc/85/49/85/387854985.db2.gz DXESGARAQHSRDG-DCAQKATOSA-N 2 2 240.297 2.176 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1CCC[NH2+]1 ZINC000422963784 387814608 /nfs/dbraw/zinc/81/46/08/387814608.db2.gz JMENSHMWYWTCNZ-RAIGVLPGSA-N 2 2 234.343 2.387 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000442662652 387817264 /nfs/dbraw/zinc/81/72/64/387817264.db2.gz HSQDIKBDNGLAQQ-LBPRGKRZSA-N 2 2 240.391 2.005 20 0 BEADLP COc1ccc(C[N@H+](C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000442661381 387817580 /nfs/dbraw/zinc/81/75/80/387817580.db2.gz NJFSTJKBMQCWMR-LLVKDONJSA-N 2 2 234.343 2.007 20 0 BEADLP COc1ccc(C[N@@H+](C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000442661381 387817583 /nfs/dbraw/zinc/81/75/83/387817583.db2.gz NJFSTJKBMQCWMR-LLVKDONJSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000442662650 387817823 /nfs/dbraw/zinc/81/78/23/387817823.db2.gz HSQDIKBDNGLAQQ-GFCCVEGCSA-N 2 2 240.391 2.005 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@H]1C[C@@H]1C ZINC000322107730 387895545 /nfs/dbraw/zinc/89/55/45/387895545.db2.gz ZTEQMDQJHHIUIL-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@H]1C[C@@H]1C ZINC000322107730 387895548 /nfs/dbraw/zinc/89/55/48/387895548.db2.gz ZTEQMDQJHHIUIL-AVGNSLFASA-N 2 2 212.381 2.351 20 0 BEADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537312 387875850 /nfs/dbraw/zinc/87/58/50/387875850.db2.gz DXEIGFGBBHKGPT-MROQNXINSA-N 2 2 230.371 2.491 20 0 BEADLP FCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538734 387877261 /nfs/dbraw/zinc/87/72/61/387877261.db2.gz UBLIUVMETJNXNM-MROQNXINSA-N 2 2 246.345 2.194 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000643538890 387878545 /nfs/dbraw/zinc/87/85/45/387878545.db2.gz ZAOFJERWMHYDEK-AVGNSLFASA-N 2 2 228.355 2.245 20 0 BEADLP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC000423119837 387900130 /nfs/dbraw/zinc/90/01/30/387900130.db2.gz FNXSKGHXTVLDTK-UEJVZZJDSA-N 2 2 224.270 2.044 20 0 BEADLP C[C@H](CCC[NH3+])[NH2+][C@H](C1CC1)C(F)(F)F ZINC000423133149 387909643 /nfs/dbraw/zinc/90/96/43/387909643.db2.gz VNVMJSQBDKZATO-VXNVDRBHSA-N 2 2 224.270 2.044 20 0 BEADLP C[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[C@@H]1CCCC[NH2+]1 ZINC000423152009 387930358 /nfs/dbraw/zinc/93/03/58/387930358.db2.gz FCRTWVNJPYHCRV-MROQNXINSA-N 2 2 248.374 2.009 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459394966 387936168 /nfs/dbraw/zinc/93/61/68/387936168.db2.gz SUGOUQIVCJGOGC-LBPRGKRZSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459394966 387936172 /nfs/dbraw/zinc/93/61/72/387936172.db2.gz SUGOUQIVCJGOGC-LBPRGKRZSA-N 2 2 244.342 2.051 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@@H]1CCCC[NH2+]1 ZINC000423145457 387921774 /nfs/dbraw/zinc/92/17/74/387921774.db2.gz KSDWYZUYKYSVRO-LOWDOPEQSA-N 2 2 228.355 2.387 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000444764036 387925316 /nfs/dbraw/zinc/92/53/16/387925316.db2.gz AGWVGCUMOJPWHB-CYBMUJFWSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000444764036 387925321 /nfs/dbraw/zinc/92/53/21/387925321.db2.gz AGWVGCUMOJPWHB-CYBMUJFWSA-N 2 2 221.348 2.251 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1C ZINC000321153033 387952423 /nfs/dbraw/zinc/95/24/23/387952423.db2.gz WLISNLOWYLUVIV-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393785534 387942312 /nfs/dbraw/zinc/94/23/12/387942312.db2.gz XKIZZANCYCWAPA-SDDRHHMPSA-N 2 2 244.448 2.446 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C)C1CC1 ZINC000322126019 387942877 /nfs/dbraw/zinc/94/28/77/387942877.db2.gz DDBKOEGKPPNTAL-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C)C1CC1 ZINC000322126019 387942882 /nfs/dbraw/zinc/94/28/82/387942882.db2.gz DDBKOEGKPPNTAL-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000423171839 387960053 /nfs/dbraw/zinc/96/00/53/387960053.db2.gz QEYXHFMSLZTVGA-HQRZJTNHSA-N 2 2 248.345 2.412 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000423171841 387960065 /nfs/dbraw/zinc/96/00/65/387960065.db2.gz QEYXHFMSLZTVGA-UEEZHKSASA-N 2 2 248.345 2.412 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1(C)CC1 ZINC000045105778 387963221 /nfs/dbraw/zinc/96/32/21/387963221.db2.gz CTRSQXLYDWDWJL-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423178364 387963302 /nfs/dbraw/zinc/96/33/02/387963302.db2.gz BWTIKFSTULIDMA-KGLIPLIRSA-N 2 2 233.359 2.264 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000423177134 387964000 /nfs/dbraw/zinc/96/40/00/387964000.db2.gz AJBCPYKLBBZPDX-KGLIPLIRSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccn1 ZINC000423180031 387965287 /nfs/dbraw/zinc/96/52/87/387965287.db2.gz NGNOXMXGRJFYJJ-GFCCVEGCSA-N 2 2 233.359 2.394 20 0 BEADLP Cc1nccnc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185306 387969243 /nfs/dbraw/zinc/96/92/43/387969243.db2.gz UZADXIXBKSCKAH-LBPRGKRZSA-N 2 2 248.374 2.097 20 0 BEADLP CSc1ccc([C@H](C)[NH2+]CC[NH3+])cc1F ZINC000423187390 387971837 /nfs/dbraw/zinc/97/18/37/387971837.db2.gz PFUKUXYTIHFDKT-QMMMGPOBSA-N 2 2 228.336 2.157 20 0 BEADLP c1cncc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)c1 ZINC000423196033 387981123 /nfs/dbraw/zinc/98/11/23/387981123.db2.gz UKECFRSWLCMPOI-HUUCEWRRSA-N 2 2 245.370 2.264 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775499 387981442 /nfs/dbraw/zinc/98/14/42/387981442.db2.gz SOSJBCTXEKGYBI-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775499 387981445 /nfs/dbraw/zinc/98/14/45/387981445.db2.gz SOSJBCTXEKGYBI-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775499 387981449 /nfs/dbraw/zinc/98/14/49/387981449.db2.gz SOSJBCTXEKGYBI-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775499 387981454 /nfs/dbraw/zinc/98/14/54/387981454.db2.gz SOSJBCTXEKGYBI-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP c1cn(CC[NH2+][C@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000453056500 387974601 /nfs/dbraw/zinc/97/46/01/387974601.db2.gz LHZCJYUKIYVMID-AWEZNQCLSA-N 2 2 233.359 2.442 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)o1 ZINC000423191492 387976462 /nfs/dbraw/zinc/97/64/62/387976462.db2.gz UGFPJSOWOJLRHZ-SNVBAGLBSA-N 2 2 222.332 2.245 20 0 BEADLP Fc1cncc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423192979 387977436 /nfs/dbraw/zinc/97/74/36/387977436.db2.gz QLPQPKJXRSWUIR-KBPBESRZSA-N 2 2 249.333 2.013 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192876 387977858 /nfs/dbraw/zinc/97/78/58/387977858.db2.gz QBOCCEQBFGJUFU-ZJUUUORDSA-N 2 2 240.372 2.159 20 0 BEADLP Cc1ccc2cc([C@@H](C)[NH2+]CC[NH3+])oc2c1 ZINC000423192511 387978183 /nfs/dbraw/zinc/97/81/83/387978183.db2.gz VPRZVJXGWFNFRS-SNVBAGLBSA-N 2 2 218.300 2.351 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(C)ccc1OC ZINC000423201730 387988084 /nfs/dbraw/zinc/98/80/84/387988084.db2.gz JFBCVKRFYOQKIR-TZMCWYRMSA-N 2 2 248.370 2.406 20 0 BEADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423204857 387992005 /nfs/dbraw/zinc/99/20/05/387992005.db2.gz OUAASNZSRWGACH-ZIAGYGMSSA-N 2 2 234.318 2.228 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)n1 ZINC000424369771 387994772 /nfs/dbraw/zinc/99/47/72/387994772.db2.gz CKFWJJBXVCSYLL-LERXQTSPSA-N 2 2 248.374 2.014 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424369083 387994862 /nfs/dbraw/zinc/99/48/62/387994862.db2.gz BBEOEHVYCLFBLC-XJFOESAGSA-N 2 2 234.318 2.093 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423197490 387983698 /nfs/dbraw/zinc/98/36/98/387983698.db2.gz ZPBVZPWAJDIVPX-TZMCWYRMSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000400503926 387983699 /nfs/dbraw/zinc/98/36/99/387983699.db2.gz CRZXLKJYSWINSP-TVQRCGJNSA-N 2 2 240.297 2.195 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000453097953 387983837 /nfs/dbraw/zinc/98/38/37/387983837.db2.gz WTLRORMOJMHPIC-TZMCWYRMSA-N 2 2 244.342 2.408 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCCC1)[NH+](C)C ZINC000453107573 387985199 /nfs/dbraw/zinc/98/51/99/387985199.db2.gz LIQLHYFIYABCSP-SMDDNHRTSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCc2occc21)[C@H]1CCC[NH2+]1 ZINC000400511938 387985404 /nfs/dbraw/zinc/98/54/04/387985404.db2.gz JMENSHMWYWTCNZ-UHTWSYAYSA-N 2 2 234.343 2.387 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H](C)C2 ZINC000423220443 388002291 /nfs/dbraw/zinc/00/22/91/388002291.db2.gz XXYSCTSIHRJKPU-OSAQELSMSA-N 2 2 230.355 2.180 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H](C)C2 ZINC000423220442 388002829 /nfs/dbraw/zinc/00/28/29/388002829.db2.gz XXYSCTSIHRJKPU-NJZAAPMLSA-N 2 2 230.355 2.180 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000423227238 388011118 /nfs/dbraw/zinc/01/11/18/388011118.db2.gz VAGMNGBNXGUAAD-QMTHXVAHSA-N 2 2 236.334 2.258 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000423225712 388008408 /nfs/dbraw/zinc/00/84/08/388008408.db2.gz NYXNFADPUWLFRD-ZDUSSCGKSA-N 2 2 220.360 2.482 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423226531 388009696 /nfs/dbraw/zinc/00/96/96/388009696.db2.gz RBPDNSBKEPFHHJ-SNVBAGLBSA-N 2 2 224.373 2.279 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000423227239 388010833 /nfs/dbraw/zinc/01/08/33/388010833.db2.gz VAGMNGBNXGUAAD-YGRLFVJLSA-N 2 2 236.334 2.258 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423240707 388023957 /nfs/dbraw/zinc/02/39/57/388023957.db2.gz KYMZDXYHAKSOEX-GXTWGEPZSA-N 2 2 236.359 2.091 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423243391 388025783 /nfs/dbraw/zinc/02/57/83/388025783.db2.gz WHLBKQQYYDYYKZ-WDBKCZKBSA-N 2 2 248.345 2.401 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000423243441 388025836 /nfs/dbraw/zinc/02/58/36/388025836.db2.gz WMFRVPYEKPSMKM-DOMZBBRYSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423230461 388015002 /nfs/dbraw/zinc/01/50/02/388015002.db2.gz DQJCZOGMLVCXIJ-XHDPSFHLSA-N 2 2 246.354 2.119 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230156 388015296 /nfs/dbraw/zinc/01/52/96/388015296.db2.gz CTGJHLLFPIAQSF-CHWSQXEVSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1N(C)C ZINC000423232409 388016617 /nfs/dbraw/zinc/01/66/17/388016617.db2.gz IHIYEVTUYROOQY-STQMWFEESA-N 2 2 247.386 2.155 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423233724 388019189 /nfs/dbraw/zinc/01/91/89/388019189.db2.gz KLFPBRSSSZVKAM-CHWSQXEVSA-N 2 2 233.359 2.264 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423239955 388022293 /nfs/dbraw/zinc/02/22/93/388022293.db2.gz GKEPHZBWZFYJTH-AWEZNQCLSA-N 2 2 235.375 2.368 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cncs1 ZINC000423251134 388034204 /nfs/dbraw/zinc/03/42/04/388034204.db2.gz WEYMPEFNHSRYLM-CMPLNLGQSA-N 2 2 247.367 2.494 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccncn1 ZINC000423259351 388038675 /nfs/dbraw/zinc/03/86/75/388038675.db2.gz DOAYIUYSPBMQJG-BXUZGUMPSA-N 2 2 248.374 2.035 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnccn1 ZINC000423259408 388038960 /nfs/dbraw/zinc/03/89/60/388038960.db2.gz DRJOSCQLSVOPLE-WCQYABFASA-N 2 2 248.374 2.035 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423258783 388039402 /nfs/dbraw/zinc/03/94/02/388039402.db2.gz CJJJXEFSUWOTTP-QWHCGFSZSA-N 2 2 235.375 2.414 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cncc(F)c1 ZINC000423262402 388040525 /nfs/dbraw/zinc/04/05/25/388040525.db2.gz MJFJEPVAIRWMKH-ZWNOBZJWSA-N 2 2 239.338 2.245 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423243843 388026279 /nfs/dbraw/zinc/02/62/79/388026279.db2.gz KNKCYBBRXMYURY-AWEZNQCLSA-N 2 2 248.370 2.408 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423243870 388027808 /nfs/dbraw/zinc/02/78/08/388027808.db2.gz KPQMHFFROZKXEZ-YGRLFVJLSA-N 2 2 236.334 2.258 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423245270 388028365 /nfs/dbraw/zinc/02/83/65/388028365.db2.gz MEMLYPAVGXZMLQ-SWLSCSKDSA-N 2 2 232.371 2.427 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423243866 388029057 /nfs/dbraw/zinc/02/90/57/388029057.db2.gz KPQMHFFROZKXEZ-IINYFYTJSA-N 2 2 236.334 2.258 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423246325 388029617 /nfs/dbraw/zinc/02/96/17/388029617.db2.gz ZDALVIYDAPHWEX-LBPRGKRZSA-N 2 2 236.359 2.264 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccccn1 ZINC000423248418 388030268 /nfs/dbraw/zinc/03/02/68/388030268.db2.gz RSGZPWLTHKDJDQ-GXTWGEPZSA-N 2 2 241.338 2.432 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423248852 388031193 /nfs/dbraw/zinc/03/11/93/388031193.db2.gz RDEFOSIMFDIDKN-LBPRGKRZSA-N 2 2 235.375 2.013 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(F)c1F ZINC000423272727 388053441 /nfs/dbraw/zinc/05/34/41/388053441.db2.gz IJTNEBXFDQJTLA-QPUJVOFHSA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423272782 388053942 /nfs/dbraw/zinc/05/39/42/388053942.db2.gz IOHYFPOVLZVZHA-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423274691 388054394 /nfs/dbraw/zinc/05/43/94/388054394.db2.gz KUAAPSKHRKGADI-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000261527611 135152068 /nfs/dbraw/zinc/15/20/68/135152068.db2.gz DKCWAALLEKEUSV-RNFRBKRXSA-N 2 2 218.753 2.227 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)o1 ZINC000423277165 388058411 /nfs/dbraw/zinc/05/84/11/388058411.db2.gz NTQMGPFHHPATBY-SKDRFNHKSA-N 2 2 222.332 2.230 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(C)o1 ZINC000423278113 388060404 /nfs/dbraw/zinc/06/04/04/388060404.db2.gz PLAAYIKRPMAQFA-NOZJJQNGSA-N 2 2 222.332 2.284 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)ccc1F ZINC000423280242 388061876 /nfs/dbraw/zinc/06/18/76/388061876.db2.gz SNXKHGGXOPKAMJ-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccco1 ZINC000423284011 388066830 /nfs/dbraw/zinc/06/68/30/388066830.db2.gz XXKBJDMRLOPGLS-WDEREUQCSA-N 2 2 210.321 2.304 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(F)c1 ZINC000423283910 388066941 /nfs/dbraw/zinc/06/69/41/388066941.db2.gz FVULRBJNTIUUIP-SECBINFHSA-N 2 2 240.322 2.222 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000423288774 388073042 /nfs/dbraw/zinc/07/30/42/388073042.db2.gz UXSODIZLFVZOJP-SNVBAGLBSA-N 2 2 221.348 2.032 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cncs1 ZINC000423288535 388073130 /nfs/dbraw/zinc/07/31/30/388073130.db2.gz SPFWRFHZUIJHFH-VIFPVBQESA-N 2 2 227.377 2.311 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)cc(F)c1 ZINC000423289331 388074155 /nfs/dbraw/zinc/07/41/55/388074155.db2.gz WUFJVSDDSUIURE-QMMMGPOBSA-N 2 2 228.286 2.353 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccnc1 ZINC000423295844 388078405 /nfs/dbraw/zinc/07/84/05/388078405.db2.gz FVTMJIMLIFLYCA-YPMHNXCESA-N 2 2 221.348 2.250 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000447797578 388093528 /nfs/dbraw/zinc/09/35/28/388093528.db2.gz LKPFNNNWJGCOSI-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447797578 388093530 /nfs/dbraw/zinc/09/35/30/388093530.db2.gz LKPFNNNWJGCOSI-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccncc1CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000453627891 388094203 /nfs/dbraw/zinc/09/42/03/388094203.db2.gz VXRDWUSABJWCLC-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCCOCC1 ZINC000086874125 388109462 /nfs/dbraw/zinc/10/94/62/388109462.db2.gz RWVBRFASXUNVBC-AWEZNQCLSA-N 2 2 240.391 2.021 20 0 BEADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1OC ZINC000423267591 388046257 /nfs/dbraw/zinc/04/62/57/388046257.db2.gz CTUIJIYEYGQRCP-ZIAGYGMSSA-N 2 2 248.370 2.473 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423268957 388047989 /nfs/dbraw/zinc/04/79/89/388047989.db2.gz VJQDCZICSRWJJB-AAEUAGOBSA-N 2 2 236.359 2.416 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCc2occc21 ZINC000423270667 388049490 /nfs/dbraw/zinc/04/94/90/388049490.db2.gz IIUGXNASPBGAMX-RYUDHWBXSA-N 2 2 222.332 2.230 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449242803 388161778 /nfs/dbraw/zinc/16/17/78/388161778.db2.gz GQFVPRNVNUKNJJ-CQSZACIVSA-N 2 2 248.370 2.452 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449242803 388161782 /nfs/dbraw/zinc/16/17/82/388161782.db2.gz GQFVPRNVNUKNJJ-CQSZACIVSA-N 2 2 248.370 2.452 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000449338375 388176188 /nfs/dbraw/zinc/17/61/88/388176188.db2.gz RTFHBDSQJANPHP-NWDGAFQWSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000449338375 388176190 /nfs/dbraw/zinc/17/61/90/388176190.db2.gz RTFHBDSQJANPHP-NWDGAFQWSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000449355258 388180960 /nfs/dbraw/zinc/18/09/60/388180960.db2.gz XIFFKZJFDSJSDQ-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000449355258 388180961 /nfs/dbraw/zinc/18/09/61/388180961.db2.gz XIFFKZJFDSJSDQ-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000488474397 388181972 /nfs/dbraw/zinc/18/19/72/388181972.db2.gz ZMTJATRHQHTEME-FVQBIDKESA-N 2 2 246.398 2.405 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC000449374638 388185931 /nfs/dbraw/zinc/18/59/31/388185931.db2.gz BHCRHVPRIUHSPK-JSGCOSHPSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC000449374638 388185933 /nfs/dbraw/zinc/18/59/33/388185933.db2.gz BHCRHVPRIUHSPK-JSGCOSHPSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1cccc(CC[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000449031056 388133235 /nfs/dbraw/zinc/13/32/35/388133235.db2.gz UAWPQTJBTTXALD-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1cccc(CC[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000449031056 388133239 /nfs/dbraw/zinc/13/32/39/388133239.db2.gz UAWPQTJBTTXALD-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CCCn1cc[nH+]c1 ZINC000449059745 388136476 /nfs/dbraw/zinc/13/64/76/388136476.db2.gz BNJVSEQEUZRCBY-LBPRGKRZSA-N 2 2 233.315 2.087 20 0 BEADLP Cc1nocc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000646071549 388137060 /nfs/dbraw/zinc/13/70/60/388137060.db2.gz QTSXKCOKWCLGQA-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1nocc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000646071549 388137061 /nfs/dbraw/zinc/13/70/61/388137061.db2.gz QTSXKCOKWCLGQA-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449377082 388186742 /nfs/dbraw/zinc/18/67/42/388186742.db2.gz NPDNREOPJRNPCG-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449377082 388186744 /nfs/dbraw/zinc/18/67/44/388186744.db2.gz NPDNREOPJRNPCG-WOPDTQHZSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccoc1)C1CC1 ZINC000449111197 388143653 /nfs/dbraw/zinc/14/36/53/388143653.db2.gz JVQRPIMRYDIGND-GFCCVEGCSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccoc1)C1CC1 ZINC000449111197 388143654 /nfs/dbraw/zinc/14/36/54/388143654.db2.gz JVQRPIMRYDIGND-GFCCVEGCSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449138404 388147405 /nfs/dbraw/zinc/14/74/05/388147405.db2.gz BYFGSZXVRJOSSH-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449138404 388147407 /nfs/dbraw/zinc/14/74/07/388147407.db2.gz BYFGSZXVRJOSSH-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)C1(C[NH2+]CCC(C)(C)C)CCC1 ZINC000165168837 388250822 /nfs/dbraw/zinc/25/08/22/388250822.db2.gz HVLYROZEQJVWJB-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165154814 388250897 /nfs/dbraw/zinc/25/08/97/388250897.db2.gz NAQMVELXIVEAAZ-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165145906 388251132 /nfs/dbraw/zinc/25/11/32/388251132.db2.gz SIZWGJBMCGDMFN-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1(C)CC1 ZINC000165168651 388251477 /nfs/dbraw/zinc/25/14/77/388251477.db2.gz IKZMVXKDIOFHKE-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cc2ccccc2s1 ZINC000162904635 388254370 /nfs/dbraw/zinc/25/43/70/388254370.db2.gz QDSPMDCMLGYNTH-UHFFFAOYSA-N 2 2 220.341 2.292 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cc2ccccc2s1 ZINC000162904635 388254372 /nfs/dbraw/zinc/25/43/72/388254372.db2.gz QDSPMDCMLGYNTH-UHFFFAOYSA-N 2 2 220.341 2.292 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385836 388191150 /nfs/dbraw/zinc/19/11/50/388191150.db2.gz GVOYCVPZTYERMM-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385836 388191151 /nfs/dbraw/zinc/19/11/51/388191151.db2.gz GVOYCVPZTYERMM-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)C1COC1 ZINC000449422739 388201080 /nfs/dbraw/zinc/20/10/80/388201080.db2.gz FFNITCBMVCTBMS-UHFFFAOYSA-N 2 2 234.343 2.043 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)C1COC1 ZINC000449422739 388201083 /nfs/dbraw/zinc/20/10/83/388201083.db2.gz FFNITCBMVCTBMS-UHFFFAOYSA-N 2 2 234.343 2.043 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449433310 388205643 /nfs/dbraw/zinc/20/56/43/388205643.db2.gz LRIYDFUIFLWPOL-SYQHCUMBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449433310 388205645 /nfs/dbraw/zinc/20/56/45/388205645.db2.gz LRIYDFUIFLWPOL-SYQHCUMBSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cs2)C1 ZINC000449480028 388215273 /nfs/dbraw/zinc/21/52/73/388215273.db2.gz NJDIJBGGXITXFF-YPMHNXCESA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cs2)C1 ZINC000449480028 388215276 /nfs/dbraw/zinc/21/52/76/388215276.db2.gz NJDIJBGGXITXFF-YPMHNXCESA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]Cc2cc(C)cs2)[C@@H](C)C1 ZINC000449480024 388215659 /nfs/dbraw/zinc/21/56/59/388215659.db2.gz NJDIJBGGXITXFF-AAEUAGOBSA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cc(C)cs2)[C@@H](C)C1 ZINC000449480024 388215661 /nfs/dbraw/zinc/21/56/61/388215661.db2.gz NJDIJBGGXITXFF-AAEUAGOBSA-N 2 2 238.400 2.486 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449520554 388222440 /nfs/dbraw/zinc/22/24/40/388222440.db2.gz FRIFQZOCHIVHSE-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449552227 388230606 /nfs/dbraw/zinc/23/06/06/388230606.db2.gz IQGPXFMBFUTMNX-DHMWGJHJSA-N 2 2 236.403 2.351 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449552227 388230608 /nfs/dbraw/zinc/23/06/08/388230608.db2.gz IQGPXFMBFUTMNX-DHMWGJHJSA-N 2 2 236.403 2.351 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]C[C@H](C)[NH+](C)C)CS1 ZINC000449557041 388231550 /nfs/dbraw/zinc/23/15/50/388231550.db2.gz PGSJUWBQXJDIKG-SDDRHHMPSA-N 2 2 230.421 2.056 20 0 BEADLP COc1ccccc1/C=C/C[NH2+]C[C@H](C)[NH+](C)C ZINC000449558594 388232300 /nfs/dbraw/zinc/23/23/00/388232300.db2.gz YHXSGTJZJNEVBY-XOVSCCBYSA-N 2 2 248.370 2.248 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1COCC1(C)C ZINC000449622931 388244202 /nfs/dbraw/zinc/24/42/02/388244202.db2.gz GGXRIKOHDRNNKQ-CQSZACIVSA-N 2 2 248.370 2.337 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(CCC2)C1 ZINC000459444095 388244964 /nfs/dbraw/zinc/24/49/64/388244964.db2.gz QYMZFZVQUXPAAV-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(CCC2)C1 ZINC000459444095 388244967 /nfs/dbraw/zinc/24/49/67/388244967.db2.gz QYMZFZVQUXPAAV-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP CCSCC[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000164791332 388248370 /nfs/dbraw/zinc/24/83/70/388248370.db2.gz FKBKTNPEEFAXPZ-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CC[N@H+](CC[NH2+]C1CC(C(C)C)C1)C1CC1 ZINC000233469103 388347100 /nfs/dbraw/zinc/34/71/00/388347100.db2.gz YOOJIQFZYPHLJM-UHFFFAOYSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CC(C(C)C)C1)C1CC1 ZINC000233469103 388347105 /nfs/dbraw/zinc/34/71/05/388347105.db2.gz YOOJIQFZYPHLJM-UHFFFAOYSA-N 2 2 224.392 2.495 20 0 BEADLP CCS[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000233849855 388349081 /nfs/dbraw/zinc/34/90/81/388349081.db2.gz YXFZPYQZLLIKOB-MNOVXSKESA-N 2 2 225.361 2.174 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1OC ZINC000234050777 388352404 /nfs/dbraw/zinc/35/24/04/388352404.db2.gz KONAMPUBVYMIMD-PWSUYJOCSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235116748 388365583 /nfs/dbraw/zinc/36/55/83/388365583.db2.gz DAUGSZZKFQFBME-SDDRHHMPSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1Cl ZINC000235459436 388369153 /nfs/dbraw/zinc/36/91/53/388369153.db2.gz OMQLTOPIIIIVIW-BDAKNGLRSA-N 2 2 212.724 2.338 20 0 BEADLP CCc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000572887611 388384042 /nfs/dbraw/zinc/38/40/42/388384042.db2.gz SSXKFOCGNBJQJD-UHFFFAOYSA-N 2 2 229.327 2.235 20 0 BEADLP CC(C)C1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000293070102 388387046 /nfs/dbraw/zinc/38/70/46/388387046.db2.gz SVSNRXXRJHWBDW-UHFFFAOYSA-N 2 2 207.321 2.051 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(F)cc(Cl)c1 ZINC000300769079 388392494 /nfs/dbraw/zinc/39/24/94/388392494.db2.gz CJCOCRDVASLGGL-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(F)cc(Cl)c1 ZINC000300769079 388392496 /nfs/dbraw/zinc/39/24/96/388392496.db2.gz CJCOCRDVASLGGL-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(F)c(F)c1 ZINC000300826393 388395959 /nfs/dbraw/zinc/39/59/59/388395959.db2.gz NTAIXZHWHBRNQH-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(F)c(F)c1 ZINC000300826393 388395961 /nfs/dbraw/zinc/39/59/61/388395961.db2.gz NTAIXZHWHBRNQH-SECBINFHSA-N 2 2 228.286 2.306 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CCC1 ZINC000322706405 388444036 /nfs/dbraw/zinc/44/40/36/388444036.db2.gz PRFBLDYRKVUFLZ-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCC1 ZINC000322706405 388444038 /nfs/dbraw/zinc/44/40/38/388444038.db2.gz PRFBLDYRKVUFLZ-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000334671167 388445591 /nfs/dbraw/zinc/44/55/91/388445591.db2.gz OEYNZZNPVNXVBH-WFASDCNBSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000334671167 388445592 /nfs/dbraw/zinc/44/55/92/388445592.db2.gz OEYNZZNPVNXVBH-WFASDCNBSA-N 2 2 247.386 2.128 20 0 BEADLP CC(C)SCC[NH2+]C(C)(C)C[NH+](C)C ZINC000308637253 388446578 /nfs/dbraw/zinc/44/65/78/388446578.db2.gz QBQKPQQIIVRVJA-UHFFFAOYSA-N 2 2 218.410 2.058 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[N@H+](C)C1CC1 ZINC000336697833 388464420 /nfs/dbraw/zinc/46/44/20/388464420.db2.gz OKBNICWGXJKDRM-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[N@@H+](C)C1CC1 ZINC000336697833 388464424 /nfs/dbraw/zinc/46/44/24/388464424.db2.gz OKBNICWGXJKDRM-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336703119 388465200 /nfs/dbraw/zinc/46/52/00/388465200.db2.gz QIJWIZOSUYZRHM-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336703119 388465202 /nfs/dbraw/zinc/46/52/02/388465202.db2.gz QIJWIZOSUYZRHM-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000328225876 388407755 /nfs/dbraw/zinc/40/77/55/388407755.db2.gz BSGUJLQZQPYNFD-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000328225876 388407759 /nfs/dbraw/zinc/40/77/59/388407759.db2.gz BSGUJLQZQPYNFD-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000573081941 388418117 /nfs/dbraw/zinc/41/81/17/388418117.db2.gz KXGZAHGCEQAOHI-LLVKDONJSA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCC1 ZINC000322300834 388430161 /nfs/dbraw/zinc/43/01/61/388430161.db2.gz ACCORKMRDWGABH-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322368510 388433264 /nfs/dbraw/zinc/43/32/64/388433264.db2.gz ISSVEFGBRIFQBN-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000322368510 388433265 /nfs/dbraw/zinc/43/32/65/388433265.db2.gz ISSVEFGBRIFQBN-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000166888629 388434329 /nfs/dbraw/zinc/43/43/29/388434329.db2.gz IILKKMAWGYTVHX-PWSUYJOCSA-N 2 2 208.305 2.024 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccoc1 ZINC000166888629 388434330 /nfs/dbraw/zinc/43/43/30/388434330.db2.gz IILKKMAWGYTVHX-PWSUYJOCSA-N 2 2 208.305 2.024 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166889524 388434349 /nfs/dbraw/zinc/43/43/49/388434349.db2.gz FSEAPMJZVPWKTA-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166889524 388434352 /nfs/dbraw/zinc/43/43/52/388434352.db2.gz FSEAPMJZVPWKTA-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC ZINC000356334040 388547708 /nfs/dbraw/zinc/54/77/08/388547708.db2.gz LETYYIAMTXRHJY-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC ZINC000356334040 388547710 /nfs/dbraw/zinc/54/77/10/388547710.db2.gz LETYYIAMTXRHJY-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CC1(C)C ZINC000397690151 388490335 /nfs/dbraw/zinc/49/03/35/388490335.db2.gz WZLDOVNIANIWDM-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CCC[C@H](C)C[N@@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378739824 388493360 /nfs/dbraw/zinc/49/33/60/388493360.db2.gz OOSQZBZMGFRFAJ-SRVKXCTJSA-N 2 2 216.344 2.054 20 0 BEADLP CCC[C@H](C)C[N@H+]1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000378739824 388493363 /nfs/dbraw/zinc/49/33/63/388493363.db2.gz OOSQZBZMGFRFAJ-SRVKXCTJSA-N 2 2 216.344 2.054 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397768487 388498009 /nfs/dbraw/zinc/49/80/09/388498009.db2.gz KRLHVFNICZVDQQ-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CC1(C)C ZINC000397853327 388506458 /nfs/dbraw/zinc/50/64/58/388506458.db2.gz SMYDREKUJYQFCF-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1ccc(C[NH2+]CC2([NH+](C)C)CC2)cc1C ZINC000397968555 388513665 /nfs/dbraw/zinc/51/36/65/388513665.db2.gz GXTZZLANTXYQHG-UHFFFAOYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH+](C)C1(C[NH2+]CC2CCCCC2)CC1 ZINC000397990887 388514801 /nfs/dbraw/zinc/51/48/01/388514801.db2.gz WZKOIAKAADHNNO-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C/C(Cl)=C\C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000528385074 388519279 /nfs/dbraw/zinc/51/92/79/388519279.db2.gz ZLBNIHSGAZFCNK-INJWIWPUSA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000528385074 388519281 /nfs/dbraw/zinc/51/92/81/388519281.db2.gz ZLBNIHSGAZFCNK-INJWIWPUSA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C/C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528430864 388523194 /nfs/dbraw/zinc/52/31/94/388523194.db2.gz XCVAZICBBQICNK-LBQOUHFTSA-N 2 2 239.750 2.352 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528430864 388523196 /nfs/dbraw/zinc/52/31/96/388523196.db2.gz XCVAZICBBQICNK-LBQOUHFTSA-N 2 2 239.750 2.352 20 0 BEADLP CO[C@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173186 388595106 /nfs/dbraw/zinc/59/51/06/388595106.db2.gz DVCTYFSWQIJUBA-HUUCEWRRSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173186 388595107 /nfs/dbraw/zinc/59/51/07/388595107.db2.gz DVCTYFSWQIJUBA-HUUCEWRRSA-N 2 2 248.370 2.043 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000379276615 388604220 /nfs/dbraw/zinc/60/42/20/388604220.db2.gz ZZWROQGVFAZDQG-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000379276615 388604221 /nfs/dbraw/zinc/60/42/21/388604221.db2.gz ZZWROQGVFAZDQG-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP c1cn(CC[NH+]2CCCCC2)c(C2CC2)[nH+]1 ZINC000530129982 388613679 /nfs/dbraw/zinc/61/36/79/388613679.db2.gz BZMGUYZQEQHTLR-UHFFFAOYSA-N 2 2 219.332 2.246 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000261536282 388551794 /nfs/dbraw/zinc/55/17/94/388551794.db2.gz RBFRUAUQEKSJRO-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000261536282 388551796 /nfs/dbraw/zinc/55/17/96/388551796.db2.gz RBFRUAUQEKSJRO-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP FC(F)C[N@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359220510 388556071 /nfs/dbraw/zinc/55/60/71/388556071.db2.gz WLKHNJOASNJMDP-UHFFFAOYSA-N 2 2 232.318 2.106 20 0 BEADLP FC(F)C[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000359220510 388556074 /nfs/dbraw/zinc/55/60/74/388556074.db2.gz WLKHNJOASNJMDP-UHFFFAOYSA-N 2 2 232.318 2.106 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000552098581 388669570 /nfs/dbraw/zinc/66/95/70/388669570.db2.gz IJRHYADKCQAJFC-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000552098581 388669573 /nfs/dbraw/zinc/66/95/73/388669573.db2.gz IJRHYADKCQAJFC-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000552098583 388669806 /nfs/dbraw/zinc/66/98/06/388669806.db2.gz IJRHYADKCQAJFC-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000552098583 388669808 /nfs/dbraw/zinc/66/98/08/388669808.db2.gz IJRHYADKCQAJFC-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+](CC1CC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000530207762 388627070 /nfs/dbraw/zinc/62/70/70/388627070.db2.gz FTDMTBZJMBTVAS-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[N@@H+](CC1CC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000530207762 388627072 /nfs/dbraw/zinc/62/70/72/388627072.db2.gz FTDMTBZJMBTVAS-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530215668 388629614 /nfs/dbraw/zinc/62/96/14/388629614.db2.gz HQYJUSIEZIJCGA-ZIAGYGMSSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccoc1 ZINC000530226318 388635128 /nfs/dbraw/zinc/63/51/28/388635128.db2.gz ZRQDZYMEQXUDKY-JQWIXIFHSA-N 2 2 220.316 2.215 20 0 BEADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC1(F)CC1)CCC2 ZINC000530319120 388649777 /nfs/dbraw/zinc/64/97/77/388649777.db2.gz FZZYEUSTKTXQGV-LLVKDONJSA-N 2 2 237.322 2.161 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000247050374 388658030 /nfs/dbraw/zinc/65/80/30/388658030.db2.gz NGJIVVDDBWBLFX-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CCC1 ZINC000247050374 388658033 /nfs/dbraw/zinc/65/80/33/388658033.db2.gz NGJIVVDDBWBLFX-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccc[nH+]c1NCCCCn1cc[nH+]c1 ZINC000127979478 388734994 /nfs/dbraw/zinc/73/49/94/388734994.db2.gz PDSFAULUGLQPLR-UHFFFAOYSA-N 2 2 246.314 2.179 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000251657444 388750760 /nfs/dbraw/zinc/75/07/60/388750760.db2.gz KLHGQSTUQJYHDF-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000251657444 388750762 /nfs/dbraw/zinc/75/07/62/388750762.db2.gz KLHGQSTUQJYHDF-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccccc1)Cn1cc[nH+]c1 ZINC000195251146 388702726 /nfs/dbraw/zinc/70/27/26/388702726.db2.gz UVZQXDIHWDRSHS-ZDUSSCGKSA-N 2 2 229.327 2.309 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccccc1 ZINC000066189885 388712185 /nfs/dbraw/zinc/71/21/85/388712185.db2.gz JFOAGYWQPSUUNF-CYBMUJFWSA-N 2 2 206.333 2.337 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000540181706 388798175 /nfs/dbraw/zinc/79/81/75/388798175.db2.gz RMLZBNGNYNZTCS-VCTAVGKDSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000540181706 388798177 /nfs/dbraw/zinc/79/81/77/388798177.db2.gz RMLZBNGNYNZTCS-VCTAVGKDSA-N 2 2 248.345 2.353 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000228010222 388764149 /nfs/dbraw/zinc/76/41/49/388764149.db2.gz BXBSGGPTCKYSCL-AVGNSLFASA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000228010222 388764151 /nfs/dbraw/zinc/76/41/51/388764151.db2.gz BXBSGGPTCKYSCL-AVGNSLFASA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000228142115 388771506 /nfs/dbraw/zinc/77/15/06/388771506.db2.gz UXGODBIEMCLOKJ-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H](C)C1)C1CC1 ZINC000229296272 388784561 /nfs/dbraw/zinc/78/45/61/388784561.db2.gz YJHFXGCMJALXLJ-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H](C)C1)C1CC1 ZINC000229296272 388784565 /nfs/dbraw/zinc/78/45/65/388784565.db2.gz YJHFXGCMJALXLJ-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C1CC([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000232558277 388852843 /nfs/dbraw/zinc/85/28/43/388852843.db2.gz FJAWBZKFXHKXRT-UHFFFAOYSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccoc1 ZINC000564828083 388891736 /nfs/dbraw/zinc/89/17/36/388891736.db2.gz YXRFASREDTVWGM-GXFFZTMASA-N 2 2 222.332 2.448 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])c2nccn21 ZINC000565769146 388967054 /nfs/dbraw/zinc/96/70/54/388967054.db2.gz HZZFLHWVZGXUEN-NDBYEHHHSA-N 2 2 248.374 2.139 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2CCCC2)n1C ZINC000565313232 388937741 /nfs/dbraw/zinc/93/77/41/388937741.db2.gz DMTATNYKBPLYFU-UHFFFAOYSA-N 2 2 207.321 2.008 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000565873679 388975696 /nfs/dbraw/zinc/97/56/96/388975696.db2.gz RDFLNFUPEFVHIR-BTTYYORXSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000565873679 388975693 /nfs/dbraw/zinc/97/56/93/388975693.db2.gz RDFLNFUPEFVHIR-BTTYYORXSA-N 2 2 242.407 2.264 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC1(C)C ZINC000273662438 389042176 /nfs/dbraw/zinc/04/21/76/389042176.db2.gz YDSYXDJKRKVXDB-LBPRGKRZSA-N 2 2 219.332 2.036 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000400627795 533459106 /nfs/dbraw/zinc/45/91/06/533459106.db2.gz KZZNRPNIVCGUBN-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CC1(C)C ZINC000487266384 533547546 /nfs/dbraw/zinc/54/75/46/533547546.db2.gz CERZWUZIVZXLGR-OXHZDVMGSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CC1(C)C ZINC000487266384 533547550 /nfs/dbraw/zinc/54/75/50/533547550.db2.gz CERZWUZIVZXLGR-OXHZDVMGSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](C3CCC3)CC2)c1 ZINC000268357087 132192311 /nfs/dbraw/zinc/19/23/11/132192311.db2.gz WBDXPUOVIFVJMB-UHFFFAOYSA-N 2 2 231.343 2.065 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cccc(C)[nH+]2)C[C@@H]1C ZINC000354813143 132270121 /nfs/dbraw/zinc/27/01/21/132270121.db2.gz BIPICQHRYPCVTN-STQMWFEESA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cccc(C)[nH+]2)C[C@@H]1C ZINC000354813143 132270125 /nfs/dbraw/zinc/27/01/25/132270125.db2.gz BIPICQHRYPCVTN-STQMWFEESA-N 2 2 233.359 2.309 20 0 BEADLP CCC[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000311121114 132295133 /nfs/dbraw/zinc/29/51/33/132295133.db2.gz XQRDQDQLMFSFEH-LBPRGKRZSA-N 2 2 248.374 2.092 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000336005012 134048617 /nfs/dbraw/zinc/04/86/17/134048617.db2.gz CMFCQAFLYNEHRI-GFCCVEGCSA-N 2 2 227.311 2.057 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000336005012 134048618 /nfs/dbraw/zinc/04/86/18/134048618.db2.gz CMFCQAFLYNEHRI-GFCCVEGCSA-N 2 2 227.311 2.057 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]CC1CCCCC1)C2 ZINC000336005200 134048829 /nfs/dbraw/zinc/04/88/29/134048829.db2.gz XZGLGUPQYKWNEV-LBPRGKRZSA-N 2 2 233.359 2.437 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]CC1CCCCC1)CC2 ZINC000336005200 134048830 /nfs/dbraw/zinc/04/88/30/134048830.db2.gz XZGLGUPQYKWNEV-LBPRGKRZSA-N 2 2 233.359 2.437 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCCF)[C@@H]1c1ccccc1 ZINC000352094101 134061689 /nfs/dbraw/zinc/06/16/89/134061689.db2.gz XDILARBULAZUBL-KGLIPLIRSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCCF)[C@@H]1c1ccccc1 ZINC000352094101 134061690 /nfs/dbraw/zinc/06/16/90/134061690.db2.gz XDILARBULAZUBL-KGLIPLIRSA-N 2 2 236.334 2.381 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000336126163 134093014 /nfs/dbraw/zinc/09/30/14/134093014.db2.gz MSRBQGLWDHWOFF-GXTWGEPZSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000336126163 134093015 /nfs/dbraw/zinc/09/30/15/134093015.db2.gz MSRBQGLWDHWOFF-GXTWGEPZSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000336126163 134093016 /nfs/dbraw/zinc/09/30/16/134093016.db2.gz MSRBQGLWDHWOFF-GXTWGEPZSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000336126163 134093017 /nfs/dbraw/zinc/09/30/17/134093017.db2.gz MSRBQGLWDHWOFF-GXTWGEPZSA-N 2 2 249.358 2.072 20 0 BEADLP Clc1c[nH+]ccc1N1CC[NH+](C2CC2)CC1 ZINC000336146407 134102507 /nfs/dbraw/zinc/10/25/07/134102507.db2.gz ALMUPKQWXHKMEM-UHFFFAOYSA-N 2 2 237.734 2.019 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000168699170 134242873 /nfs/dbraw/zinc/24/28/73/134242873.db2.gz MVEIMYASGPLFDI-GFSREQAASA-N 2 2 236.403 2.351 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nccs1 ZINC000168758294 134248036 /nfs/dbraw/zinc/24/80/36/134248036.db2.gz VOEDVDKSIQNVFU-WDEREUQCSA-N 2 2 239.388 2.326 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC000177326608 134299411 /nfs/dbraw/zinc/29/94/11/134299411.db2.gz NINVPFAJNCZPNR-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC000177326608 134299412 /nfs/dbraw/zinc/29/94/12/134299412.db2.gz NINVPFAJNCZPNR-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC000177326608 134299413 /nfs/dbraw/zinc/29/94/13/134299413.db2.gz NINVPFAJNCZPNR-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC000177326608 134299414 /nfs/dbraw/zinc/29/94/14/134299414.db2.gz NINVPFAJNCZPNR-OLZOCXBDSA-N 2 2 210.365 2.201 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSC ZINC000177346789 134299580 /nfs/dbraw/zinc/29/95/80/134299580.db2.gz UZCFVNOPYZYTTL-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSC ZINC000177346789 134299581 /nfs/dbraw/zinc/29/95/81/134299581.db2.gz UZCFVNOPYZYTTL-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCSC ZINC000177346789 134299582 /nfs/dbraw/zinc/29/95/82/134299582.db2.gz UZCFVNOPYZYTTL-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCSC ZINC000177346789 134299583 /nfs/dbraw/zinc/29/95/83/134299583.db2.gz UZCFVNOPYZYTTL-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000177923547 134302083 /nfs/dbraw/zinc/30/20/83/134302083.db2.gz AAPLQBMYWFSWLI-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]CCn1cc[nH+]c1 ZINC000220556295 134309691 /nfs/dbraw/zinc/30/96/91/134309691.db2.gz GLBHTQOXDXANRK-DAXSKMNVSA-N 2 2 227.311 2.186 20 0 BEADLP Cc1ccccc1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221403358 134324357 /nfs/dbraw/zinc/32/43/57/134324357.db2.gz KEEGYVOOZMIQIF-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221403358 134324358 /nfs/dbraw/zinc/32/43/58/134324358.db2.gz KEEGYVOOZMIQIF-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCC[C@@H]1C ZINC000221853173 134328393 /nfs/dbraw/zinc/32/83/93/134328393.db2.gz PVXLRVINYJDZSY-XQQFMLRXSA-N 2 2 221.348 2.440 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000224398150 134346235 /nfs/dbraw/zinc/34/62/35/134346235.db2.gz FJETZXGPNLHNIF-CYBMUJFWSA-N 2 2 242.432 2.205 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000227332474 134378038 /nfs/dbraw/zinc/37/80/38/134378038.db2.gz KLZGUIAFNOXADE-NWDGAFQWSA-N 2 2 236.359 2.414 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000227332474 134378039 /nfs/dbraw/zinc/37/80/39/134378039.db2.gz KLZGUIAFNOXADE-NWDGAFQWSA-N 2 2 236.359 2.414 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000227598382 134385543 /nfs/dbraw/zinc/38/55/43/134385543.db2.gz IZDPBEOCKZGZAX-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP Cc1csc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000227735295 134385733 /nfs/dbraw/zinc/38/57/33/134385733.db2.gz MMIYQUVENXCPJP-NSHDSACASA-N 2 2 241.404 2.257 20 0 BEADLP Cc1csc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)n1 ZINC000227735295 134385735 /nfs/dbraw/zinc/38/57/35/134385735.db2.gz MMIYQUVENXCPJP-NSHDSACASA-N 2 2 241.404 2.257 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070759941 134923087 /nfs/dbraw/zinc/92/30/87/134923087.db2.gz ZBWRQBUISBNMDK-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000250061534 135048198 /nfs/dbraw/zinc/04/81/98/135048198.db2.gz PERBTEJGTXYEST-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000250061534 135048197 /nfs/dbraw/zinc/04/81/97/135048197.db2.gz PERBTEJGTXYEST-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000250068903 135048493 /nfs/dbraw/zinc/04/84/93/135048493.db2.gz QZXLSVKTMVDQCF-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000250068903 135048496 /nfs/dbraw/zinc/04/84/96/135048496.db2.gz QZXLSVKTMVDQCF-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C(C)C ZINC000251417568 135069739 /nfs/dbraw/zinc/06/97/39/135069739.db2.gz PFFKMOVUGOBJCZ-STQMWFEESA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C(C)C ZINC000251417568 135069741 /nfs/dbraw/zinc/06/97/41/135069741.db2.gz PFFKMOVUGOBJCZ-STQMWFEESA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000252088469 135082991 /nfs/dbraw/zinc/08/29/91/135082991.db2.gz GVBPGJOLYWIRMD-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)C[C@@H](C)C1 ZINC000252128485 135084651 /nfs/dbraw/zinc/08/46/51/135084651.db2.gz LSDWTKAXGKDDTA-WDNDVIMCSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725232 135094980 /nfs/dbraw/zinc/09/49/80/135094980.db2.gz JVINQPUIGCVWCU-NWDGAFQWSA-N 2 2 204.317 2.008 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@@H](C)C1 ZINC000252685536 135096507 /nfs/dbraw/zinc/09/65/07/135096507.db2.gz IHRNNEBUWRWBNX-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@@H](C)C1 ZINC000252685536 135096509 /nfs/dbraw/zinc/09/65/09/135096509.db2.gz IHRNNEBUWRWBNX-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000252708800 135098578 /nfs/dbraw/zinc/09/85/78/135098578.db2.gz BCSREFGHBGWBMD-NQBHXWOUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000252708800 135098580 /nfs/dbraw/zinc/09/85/80/135098580.db2.gz BCSREFGHBGWBMD-NQBHXWOUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000252708802 135098784 /nfs/dbraw/zinc/09/87/84/135098784.db2.gz BCSREFGHBGWBMD-WZRBSPASSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1(C)CC1 ZINC000252708802 135098786 /nfs/dbraw/zinc/09/87/86/135098786.db2.gz BCSREFGHBGWBMD-WZRBSPASSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2ccccc2o1 ZINC000261589026 135109973 /nfs/dbraw/zinc/10/99/73/135109973.db2.gz SUOOAMSZCPCCSG-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000261589026 135109975 /nfs/dbraw/zinc/10/99/75/135109975.db2.gz SUOOAMSZCPCCSG-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000252799946 135110507 /nfs/dbraw/zinc/11/05/07/135110507.db2.gz UXGODBIEMCLOKJ-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000252888909 135116908 /nfs/dbraw/zinc/11/69/08/135116908.db2.gz BYFHNPHPLUQZHS-ZYHUDNBSSA-N 2 2 224.373 2.178 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000252888909 135116910 /nfs/dbraw/zinc/11/69/10/135116910.db2.gz BYFHNPHPLUQZHS-ZYHUDNBSSA-N 2 2 224.373 2.178 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252947625 135117469 /nfs/dbraw/zinc/11/74/69/135117469.db2.gz AMTQYTNSLAVMFY-IHRRRGAJSA-N 2 2 242.407 2.168 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])c(C)c1 ZINC000260091135 135146579 /nfs/dbraw/zinc/14/65/79/135146579.db2.gz OANXCJPNNCKJTC-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])c(C)c1 ZINC000260091135 135146580 /nfs/dbraw/zinc/14/65/80/135146580.db2.gz OANXCJPNNCKJTC-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000261534762 135167761 /nfs/dbraw/zinc/16/77/61/135167761.db2.gz UBIBNSPZWFWDQY-TZMCWYRMSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000261534762 135167763 /nfs/dbraw/zinc/16/77/63/135167763.db2.gz UBIBNSPZWFWDQY-TZMCWYRMSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000261534760 135167851 /nfs/dbraw/zinc/16/78/51/135167851.db2.gz UBIBNSPZWFWDQY-GXTWGEPZSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000261534760 135167853 /nfs/dbraw/zinc/16/78/53/135167853.db2.gz UBIBNSPZWFWDQY-GXTWGEPZSA-N 2 2 218.344 2.082 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535006 135169109 /nfs/dbraw/zinc/16/91/09/135169109.db2.gz VLYTXDAUVIBVIK-GIPNMCIBSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535006 135169111 /nfs/dbraw/zinc/16/91/11/135169111.db2.gz VLYTXDAUVIBVIK-GIPNMCIBSA-N 2 2 222.307 2.166 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000261535806 135170883 /nfs/dbraw/zinc/17/08/83/135170883.db2.gz PGZVZRPTVRWWEC-PRHODGIISA-N 2 2 224.373 2.144 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(C)s1 ZINC000261535806 135170885 /nfs/dbraw/zinc/17/08/85/135170885.db2.gz PGZVZRPTVRWWEC-PRHODGIISA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H]1c2ccccc2C[N@H+]1CC(C)(C)[NH3+] ZINC000261539332 135177906 /nfs/dbraw/zinc/17/79/06/135177906.db2.gz CDDHWPNUPYITHL-SNVBAGLBSA-N 2 2 204.317 2.301 20 0 BEADLP C[C@@H]1c2ccccc2C[N@@H+]1CC(C)(C)[NH3+] ZINC000261539332 135177907 /nfs/dbraw/zinc/17/79/07/135177907.db2.gz CDDHWPNUPYITHL-SNVBAGLBSA-N 2 2 204.317 2.301 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000261543033 135184252 /nfs/dbraw/zinc/18/42/52/135184252.db2.gz CQKXEDHTPMJZNZ-SRVKXCTJSA-N 2 2 236.359 2.390 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261544348 135185235 /nfs/dbraw/zinc/18/52/35/135185235.db2.gz DTQHZUBFWNIOLX-LLVKDONJSA-N 2 2 236.359 2.392 20 0 BEADLP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261551565 135190599 /nfs/dbraw/zinc/19/05/99/135190599.db2.gz MGBKWPCPWKOANT-RISCZKNCSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000261551565 135190601 /nfs/dbraw/zinc/19/06/01/135190601.db2.gz MGBKWPCPWKOANT-RISCZKNCSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2cccnc21 ZINC000261553042 135191761 /nfs/dbraw/zinc/19/17/61/135191761.db2.gz AALPSZMJGXCLCL-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000261553042 135191763 /nfs/dbraw/zinc/19/17/63/135191763.db2.gz AALPSZMJGXCLCL-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC[NH3+])C1 ZINC000261563801 135205320 /nfs/dbraw/zinc/20/53/20/135205320.db2.gz BZXIJBHHBIFYKN-MFKMUULPSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC[NH3+])C1 ZINC000261563801 135205321 /nfs/dbraw/zinc/20/53/21/135205321.db2.gz BZXIJBHHBIFYKN-MFKMUULPSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1coc2ccccc12 ZINC000261563683 135205475 /nfs/dbraw/zinc/20/54/75/135205475.db2.gz XDIKNKOHFXWATR-GWCFXTLKSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1coc2ccccc12 ZINC000261563683 135205476 /nfs/dbraw/zinc/20/54/76/135205476.db2.gz XDIKNKOHFXWATR-GWCFXTLKSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC[NH3+])C1 ZINC000261563799 135205639 /nfs/dbraw/zinc/20/56/39/135205639.db2.gz BZXIJBHHBIFYKN-GXFFZTMASA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC[NH3+])C1 ZINC000261563799 135205640 /nfs/dbraw/zinc/20/56/40/135205640.db2.gz BZXIJBHHBIFYKN-GXFFZTMASA-N 2 2 222.307 2.167 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000261565720 135208095 /nfs/dbraw/zinc/20/80/95/135208095.db2.gz DDDIEMODFKSLBO-QWHCGFSZSA-N 2 2 218.344 2.465 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000261565718 135208251 /nfs/dbraw/zinc/20/82/51/135208251.db2.gz DDDIEMODFKSLBO-CHWSQXEVSA-N 2 2 218.344 2.465 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000261580982 135221720 /nfs/dbraw/zinc/22/17/20/135221720.db2.gz QGRFWSISNQKEQI-ZFWWWQNUSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000261580982 135221722 /nfs/dbraw/zinc/22/17/22/135221722.db2.gz QGRFWSISNQKEQI-ZFWWWQNUSA-N 2 2 248.345 2.318 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261583068 135224609 /nfs/dbraw/zinc/22/46/09/135224609.db2.gz OVGJBKQUIBYBRG-SNVBAGLBSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC[NH3+])C1 ZINC000261599667 135237701 /nfs/dbraw/zinc/23/77/01/135237701.db2.gz ZWJSLRIBJDBDOU-GXFFZTMASA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC[NH3+])C1 ZINC000261599667 135237702 /nfs/dbraw/zinc/23/77/02/135237702.db2.gz ZWJSLRIBJDBDOU-GXFFZTMASA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261546377 135238626 /nfs/dbraw/zinc/23/86/26/135238626.db2.gz KZASRIVUFKGGFC-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000261546377 135238628 /nfs/dbraw/zinc/23/86/28/135238628.db2.gz KZASRIVUFKGGFC-QMMMGPOBSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789350 135253929 /nfs/dbraw/zinc/25/39/29/135253929.db2.gz GAIFEPZHGXNFBZ-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789350 135253930 /nfs/dbraw/zinc/25/39/30/135253930.db2.gz GAIFEPZHGXNFBZ-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835904 135255870 /nfs/dbraw/zinc/25/58/70/135255870.db2.gz JLIVSDCAXXNTMK-BXUZGUMPSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@H](C[N@H+]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261835904 135255872 /nfs/dbraw/zinc/25/58/72/135255872.db2.gz JLIVSDCAXXNTMK-BXUZGUMPSA-N 2 2 236.334 2.352 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262100099 135278949 /nfs/dbraw/zinc/27/89/49/135278949.db2.gz VMHCDRRQGVUHQY-ABAIWWIYSA-N 2 2 248.370 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262100099 135278951 /nfs/dbraw/zinc/27/89/51/135278951.db2.gz VMHCDRRQGVUHQY-ABAIWWIYSA-N 2 2 248.370 2.037 20 0 BEADLP FC(F)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000262101009 135279106 /nfs/dbraw/zinc/27/91/06/135279106.db2.gz ISFVISPJCPXGSV-NSHDSACASA-N 2 2 226.270 2.076 20 0 BEADLP CCc1nc(C[NH2+]CC([NH3+])(CC)CC)cs1 ZINC000262304865 135292017 /nfs/dbraw/zinc/29/20/17/135292017.db2.gz YCGFWKNAKUTZFV-UHFFFAOYSA-N 2 2 241.404 2.313 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C)CC1 ZINC000334168193 135324293 /nfs/dbraw/zinc/32/42/93/135324293.db2.gz ALCFZQNYJBNXBH-GFCCVEGCSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000334168193 135324295 /nfs/dbraw/zinc/32/42/95/135324295.db2.gz ALCFZQNYJBNXBH-GFCCVEGCSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000334304849 135348606 /nfs/dbraw/zinc/34/86/06/135348606.db2.gz DGVUTKARZOPTKE-NSHDSACASA-N 2 2 219.332 2.090 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)=C[C@H](C)C1 ZINC000334304849 135348607 /nfs/dbraw/zinc/34/86/07/135348607.db2.gz DGVUTKARZOPTKE-NSHDSACASA-N 2 2 219.332 2.090 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299921937 135383485 /nfs/dbraw/zinc/38/34/85/135383485.db2.gz RDXOCEGSZLFGKT-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299921937 135383486 /nfs/dbraw/zinc/38/34/86/135383486.db2.gz RDXOCEGSZLFGKT-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335055046 135875096 /nfs/dbraw/zinc/87/50/96/135875096.db2.gz QMTWEBJADNIBCV-HIFRSBDPSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311686 136029881 /nfs/dbraw/zinc/02/98/81/136029881.db2.gz MXTDUHIUEMYIQK-SMDDNHRTSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335311686 136029882 /nfs/dbraw/zinc/02/98/82/136029882.db2.gz MXTDUHIUEMYIQK-SMDDNHRTSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348086566 136034716 /nfs/dbraw/zinc/03/47/16/136034716.db2.gz PWJOFWVDNJNBMT-QZKOUSHUSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348086566 136034717 /nfs/dbraw/zinc/03/47/17/136034717.db2.gz PWJOFWVDNJNBMT-QZKOUSHUSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000348081622 136035047 /nfs/dbraw/zinc/03/50/47/136035047.db2.gz KXYKUTURKCJATQ-UEEZHKSASA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000348081622 136035048 /nfs/dbraw/zinc/03/50/48/136035048.db2.gz KXYKUTURKCJATQ-UEEZHKSASA-N 2 2 234.387 2.390 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000348227452 136048435 /nfs/dbraw/zinc/04/84/35/136048435.db2.gz DPQCDNHUUNFAIW-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000348258847 136057912 /nfs/dbraw/zinc/05/79/12/136057912.db2.gz KUWABEXVANOBSI-YUELXQCFSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1 ZINC000335355475 136071070 /nfs/dbraw/zinc/07/10/70/136071070.db2.gz IQHNTFJOFSNMBU-PWSUYJOCSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1 ZINC000335355475 136071071 /nfs/dbraw/zinc/07/10/71/136071071.db2.gz IQHNTFJOFSNMBU-PWSUYJOCSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@@H+]1C1CC1 ZINC000335375193 136085343 /nfs/dbraw/zinc/08/53/43/136085343.db2.gz XISHNVZQZXJEAY-IXYVEGFRSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(F)C2)C[N@H+]1C1CC1 ZINC000335375193 136085344 /nfs/dbraw/zinc/08/53/44/136085344.db2.gz XISHNVZQZXJEAY-IXYVEGFRSA-N 2 2 226.339 2.092 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCC[C@@H]2O)c[nH+]1 ZINC000348555558 136096375 /nfs/dbraw/zinc/09/63/75/136096375.db2.gz NTOFFSZYHYZUQL-CABCVRRESA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[C@@H]2O)c[nH+]1 ZINC000348555558 136096376 /nfs/dbraw/zinc/09/63/76/136096376.db2.gz NTOFFSZYHYZUQL-CABCVRRESA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC000348555560 136096451 /nfs/dbraw/zinc/09/64/51/136096451.db2.gz NTOFFSZYHYZUQL-HUUCEWRRSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC000348555560 136096452 /nfs/dbraw/zinc/09/64/52/136096452.db2.gz NTOFFSZYHYZUQL-HUUCEWRRSA-N 2 2 248.370 2.168 20 0 BEADLP COc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000335554090 136098592 /nfs/dbraw/zinc/09/85/92/136098592.db2.gz CAGIQMLFPLJWPI-UHFFFAOYSA-N 2 2 246.354 2.023 20 0 BEADLP Cc1cc(F)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335560679 136105851 /nfs/dbraw/zinc/10/58/51/136105851.db2.gz LGBCMVDEWPPHQI-UHFFFAOYSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1F ZINC000335562818 136106693 /nfs/dbraw/zinc/10/66/93/136106693.db2.gz WSUGZKLNXGXVDL-UHFFFAOYSA-N 2 2 248.345 2.462 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000647540229 397782161 /nfs/dbraw/zinc/78/21/61/397782161.db2.gz CCAVDUCHUHAOAD-RFGFWPKPSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000647540229 397782162 /nfs/dbraw/zinc/78/21/62/397782162.db2.gz CCAVDUCHUHAOAD-RFGFWPKPSA-N 2 2 242.382 2.445 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](C)CC(C)C ZINC000647540480 397782313 /nfs/dbraw/zinc/78/23/13/397782313.db2.gz UVBODJKEKBSTQW-AVGNSLFASA-N 2 2 230.371 2.300 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](C)CC(C)C ZINC000647540480 397782316 /nfs/dbraw/zinc/78/23/16/397782316.db2.gz UVBODJKEKBSTQW-AVGNSLFASA-N 2 2 230.371 2.300 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000649575987 397966437 /nfs/dbraw/zinc/96/64/37/397966437.db2.gz IAHPBOYDBJPUFR-CQSZACIVSA-N 2 2 248.345 2.499 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000649575987 397966438 /nfs/dbraw/zinc/96/64/38/397966438.db2.gz IAHPBOYDBJPUFR-CQSZACIVSA-N 2 2 248.345 2.499 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000449555496 397956043 /nfs/dbraw/zinc/95/60/43/397956043.db2.gz HHHOAONDMDBUSF-QJPTWQEYSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538490 397918712 /nfs/dbraw/zinc/91/87/12/397918712.db2.gz LLDSJXKBTPSRON-FIQHERPVSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000643537713 397918731 /nfs/dbraw/zinc/91/87/31/397918731.db2.gz OSSGDQDPUKAPFS-SOUVJXGZSA-N 2 2 248.345 2.427 20 0 BEADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538455 397920266 /nfs/dbraw/zinc/92/02/66/397920266.db2.gz KPNRPPOYZPWXMC-CYDGBPFRSA-N 2 2 230.371 2.491 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538026 397920320 /nfs/dbraw/zinc/92/03/20/397920320.db2.gz WRDRNHJTYXGVBG-VWYCJHECSA-N 2 2 242.363 2.407 20 0 BEADLP c1cn(CCC[N@@H+]2CCC23CCCC3)c[nH+]1 ZINC000649657852 398026109 /nfs/dbraw/zinc/02/61/09/398026109.db2.gz OYZLWEFBBFHRKW-UHFFFAOYSA-N 2 2 219.332 2.292 20 0 BEADLP c1cn(CCC[N@H+]2CCC23CCCC3)c[nH+]1 ZINC000649657852 398026111 /nfs/dbraw/zinc/02/61/11/398026111.db2.gz OYZLWEFBBFHRKW-UHFFFAOYSA-N 2 2 219.332 2.292 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000418114551 397981805 /nfs/dbraw/zinc/98/18/05/397981805.db2.gz MCRHQCAPVXSCFS-GJZGRUSLSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)C1CCCCCC1 ZINC000088169177 398074715 /nfs/dbraw/zinc/07/47/15/398074715.db2.gz WKNHBARUWKCTLD-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)C1CCCCCC1 ZINC000088169272 398074985 /nfs/dbraw/zinc/07/49/85/398074985.db2.gz WKNHBARUWKCTLD-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123695844 398094443 /nfs/dbraw/zinc/09/44/43/398094443.db2.gz TVPXVPLISIRUDF-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP CCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123695844 398094448 /nfs/dbraw/zinc/09/44/48/398094448.db2.gz TVPXVPLISIRUDF-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414943502 398118205 /nfs/dbraw/zinc/11/82/05/398118205.db2.gz MAJQXLRMQHLKFG-QMMMGPOBSA-N 2 2 222.263 2.009 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000061910713 398109531 /nfs/dbraw/zinc/10/95/31/398109531.db2.gz YZNDENTUXSYMCX-HIFRSBDPSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000061910713 398109534 /nfs/dbraw/zinc/10/95/34/398109534.db2.gz YZNDENTUXSYMCX-HIFRSBDPSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397954500 398124986 /nfs/dbraw/zinc/12/49/86/398124986.db2.gz DKNPWBGIMXJGNF-LBPRGKRZSA-N 2 2 248.370 2.007 20 0 BEADLP CC(C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000037474906 167103157 /nfs/dbraw/zinc/10/31/57/167103157.db2.gz LRKJCZPTMXOOJI-UHFFFAOYSA-N 2 2 217.316 2.494 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]Cc1cnc(C2CC2)s1 ZINC000685624577 487567089 /nfs/dbraw/zinc/56/70/89/487567089.db2.gz ASQAADMTWUVVOE-UHFFFAOYSA-N 2 2 248.355 2.044 20 0 BEADLP Cn1c[nH+]cc1C[NH+]1C2CCCC1CCC2 ZINC000674373549 487567740 /nfs/dbraw/zinc/56/77/40/487567740.db2.gz ZEKBCMJIEBIQTD-UHFFFAOYSA-N 2 2 219.332 2.327 20 0 BEADLP c1cn(CCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000383076277 487582379 /nfs/dbraw/zinc/58/23/79/487582379.db2.gz HGLPLRFMWUDTFD-RDBSUJKOSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000086935730 487586329 /nfs/dbraw/zinc/58/63/29/487586329.db2.gz FRFCIBWCDQDNHJ-NEPJUHHUSA-N 2 2 239.388 2.147 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnsc1 ZINC001651289223 1172940488 /nfs/dbraw/zinc/94/04/88/1172940488.db2.gz IJEOJOXBUDKTML-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnsc1 ZINC001651289223 1172940491 /nfs/dbraw/zinc/94/04/91/1172940491.db2.gz IJEOJOXBUDKTML-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP COC1CC[NH+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000053380406 487590280 /nfs/dbraw/zinc/59/02/80/487590280.db2.gz SDQIQCQBJQKTRX-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP COC1CC[NH+](CC[NH2+]CCCC(C)C)CC1 ZINC000053380394 487590301 /nfs/dbraw/zinc/59/03/01/487590301.db2.gz IKZALEWEHPQMJN-UHFFFAOYSA-N 2 2 242.407 2.123 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232475981 487596664 /nfs/dbraw/zinc/59/66/64/487596664.db2.gz IFBRSTLUEFSVDU-WCQYABFASA-N 2 2 234.343 2.389 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000308946997 487597116 /nfs/dbraw/zinc/59/71/16/487597116.db2.gz OBNWUSDTIJSFMJ-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000308946997 487597119 /nfs/dbraw/zinc/59/71/19/487597119.db2.gz OBNWUSDTIJSFMJ-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000309764064 487608940 /nfs/dbraw/zinc/60/89/40/487608940.db2.gz YXXJPQBKCDRAFX-HNNXBMFYSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCOCc1ccccc1 ZINC000309764064 487608948 /nfs/dbraw/zinc/60/89/48/487608948.db2.gz YXXJPQBKCDRAFX-HNNXBMFYSA-N 2 2 248.370 2.016 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662241495 409529239 /nfs/dbraw/zinc/52/92/39/409529239.db2.gz SVVNVBBRAKCRQS-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC000662241495 409529246 /nfs/dbraw/zinc/52/92/46/409529246.db2.gz SVVNVBBRAKCRQS-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[N@H+](CC1CC=CC1)[C@@H]1CC[NH2+]C1 ZINC000662247748 409549270 /nfs/dbraw/zinc/54/92/70/409549270.db2.gz ZTJXZBSVCNHCQK-CYBMUJFWSA-N 2 2 208.349 2.027 20 0 BEADLP CCC[N@@H+](CC1CC=CC1)[C@@H]1CC[NH2+]C1 ZINC000662247748 409549276 /nfs/dbraw/zinc/54/92/76/409549276.db2.gz ZTJXZBSVCNHCQK-CYBMUJFWSA-N 2 2 208.349 2.027 20 0 BEADLP C[C@H](c1ccccc1F)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304219 409627793 /nfs/dbraw/zinc/62/77/93/409627793.db2.gz NILKBXDHQKRTGN-CDWSIMAYSA-N 2 2 234.318 2.310 20 0 BEADLP C[C@H](c1ccccc1F)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304219 409627797 /nfs/dbraw/zinc/62/77/97/409627797.db2.gz NILKBXDHQKRTGN-CDWSIMAYSA-N 2 2 234.318 2.310 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000308839763 409910824 /nfs/dbraw/zinc/91/08/24/409910824.db2.gz YDDJHKAXMUKQCY-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000308839763 409910827 /nfs/dbraw/zinc/91/08/27/409910827.db2.gz YDDJHKAXMUKQCY-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000663503581 410277886 /nfs/dbraw/zinc/27/78/86/410277886.db2.gz PUWQXDNIEMZYGO-DOMZBBRYSA-N 2 2 230.355 2.324 20 0 BEADLP CCc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000663501989 410278961 /nfs/dbraw/zinc/27/89/61/410278961.db2.gz MZMUNTIZJMJIIN-UHFFFAOYSA-N 2 2 236.384 2.152 20 0 BEADLP CCCOc1ccc(C[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000663506261 410279874 /nfs/dbraw/zinc/27/98/74/410279874.db2.gz AAYDHSAZYUDENJ-LBPRGKRZSA-N 2 2 236.359 2.173 20 0 BEADLP CCCOc1ccc(C[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000663506258 410280129 /nfs/dbraw/zinc/28/01/29/410280129.db2.gz AAYDHSAZYUDENJ-GFCCVEGCSA-N 2 2 236.359 2.173 20 0 BEADLP CC[N@@H+]1CCCN(c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000664005482 410426022 /nfs/dbraw/zinc/42/60/22/410426022.db2.gz GDRGMTZPYMRNSB-LBPRGKRZSA-N 2 2 248.374 2.014 20 0 BEADLP CC[N@H+]1CCCN(c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000664005482 410426030 /nfs/dbraw/zinc/42/60/30/410426030.db2.gz GDRGMTZPYMRNSB-LBPRGKRZSA-N 2 2 248.374 2.014 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1nc(C(C)(C)C)cs1 ZINC000133213849 410435315 /nfs/dbraw/zinc/43/53/15/410435315.db2.gz QJEDOWAYYIPXOB-UHFFFAOYSA-N 2 2 241.404 2.221 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1nc(C(C)(C)C)cs1 ZINC000133213849 410435320 /nfs/dbraw/zinc/43/53/20/410435320.db2.gz QJEDOWAYYIPXOB-UHFFFAOYSA-N 2 2 241.404 2.221 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000328147628 487617084 /nfs/dbraw/zinc/61/70/84/487617084.db2.gz CNXXZFLYOYYOSN-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 ZINC000328147628 487617090 /nfs/dbraw/zinc/61/70/90/487617090.db2.gz CNXXZFLYOYYOSN-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccoc1 ZINC000665249464 410732213 /nfs/dbraw/zinc/73/22/13/410732213.db2.gz QZEQPMYBMMISCH-JTQLQIEISA-N 2 2 208.305 2.202 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665290169 410776029 /nfs/dbraw/zinc/77/60/29/410776029.db2.gz MMQYHZUTHUFQBE-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665290169 410776038 /nfs/dbraw/zinc/77/60/38/410776038.db2.gz MMQYHZUTHUFQBE-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000665297750 410816937 /nfs/dbraw/zinc/81/69/37/410816937.db2.gz LCUJQSQGFNUJBJ-SLEUVZQESA-N 2 2 232.371 2.426 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000665294151 410782651 /nfs/dbraw/zinc/78/26/51/410782651.db2.gz JFSOTHBTQDMQIZ-GXSJLCMTSA-N 2 2 224.373 2.323 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccc1 ZINC000665294013 410782724 /nfs/dbraw/zinc/78/27/24/410782724.db2.gz GWUQCKJJLONQDR-AAEUAGOBSA-N 2 2 206.333 2.335 20 0 BEADLP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1C ZINC000665294189 410783484 /nfs/dbraw/zinc/78/34/84/410783484.db2.gz JXKKMVXVHUOBBN-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000665296797 410817176 /nfs/dbraw/zinc/81/71/76/410817176.db2.gz XXQLODRRRQWIAZ-GXTWGEPZSA-N 2 2 248.370 2.406 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000665295565 410792839 /nfs/dbraw/zinc/79/28/39/410792839.db2.gz GCGBHUBOEQLIAQ-QMTHXVAHSA-N 2 2 236.334 2.474 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000665295568 410793121 /nfs/dbraw/zinc/79/31/21/410793121.db2.gz GCMVIXWXJQYNFR-IINYFYTJSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000665296150 410805989 /nfs/dbraw/zinc/80/59/89/410805989.db2.gz NNQJHJSHGKZRGS-GXTWGEPZSA-N 2 2 248.370 2.406 20 0 BEADLP CCC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCCC1 ZINC000395313590 410843693 /nfs/dbraw/zinc/84/36/93/410843693.db2.gz HZJYGNAXBOMBGM-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP CCC1([NH2+]C[C@H]2CCC[N@H+]2C)CCCC1 ZINC000395313590 410843701 /nfs/dbraw/zinc/84/37/01/410843701.db2.gz HZJYGNAXBOMBGM-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000665297771 410819664 /nfs/dbraw/zinc/81/96/64/410819664.db2.gz LJVPJURXHBQLFF-MJVIPROJSA-N 2 2 218.344 2.432 20 0 BEADLP CC(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000047888653 167008750 /nfs/dbraw/zinc/00/87/50/167008750.db2.gz NEHUZQXJHPASLX-UHFFFAOYSA-N 2 2 230.315 2.013 20 0 BEADLP CC(C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000034825243 167121564 /nfs/dbraw/zinc/12/15/64/167121564.db2.gz IUYMFGAPSZOMOP-UHFFFAOYSA-N 2 2 215.300 2.370 20 0 BEADLP CC(C)OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205719 167231911 /nfs/dbraw/zinc/23/19/11/167231911.db2.gz AETARMYZPQZKCT-UHFFFAOYSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094077239 167298624 /nfs/dbraw/zinc/29/86/24/167298624.db2.gz PXDGNAVOARRILB-OCCSQVGLSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c[nH]1 ZINC000309611441 167389982 /nfs/dbraw/zinc/38/99/82/167389982.db2.gz MSAZWWORUNGLNF-SECBINFHSA-N 2 2 235.253 2.476 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCCC[C@H]1C ZINC000651806958 411144611 /nfs/dbraw/zinc/14/46/11/411144611.db2.gz FRVYZOGCMCOTKV-AGIUHOORSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000651822723 411146126 /nfs/dbraw/zinc/14/61/26/411146126.db2.gz ILRSXZCOBYFGNX-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000651833023 411147050 /nfs/dbraw/zinc/14/70/50/411147050.db2.gz NAKVGKZLMTZRNH-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)nc1 ZINC000651865797 411148149 /nfs/dbraw/zinc/14/81/49/411148149.db2.gz IDWNAYPRIXWKGW-UHFFFAOYSA-N 2 2 249.402 2.458 20 0 BEADLP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)nc1 ZINC000651865797 411148150 /nfs/dbraw/zinc/14/81/50/411148150.db2.gz IDWNAYPRIXWKGW-UHFFFAOYSA-N 2 2 249.402 2.458 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC000658095500 411242966 /nfs/dbraw/zinc/24/29/66/411242966.db2.gz ILLUCMSZIXPBHL-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC000658095500 411242969 /nfs/dbraw/zinc/24/29/69/411242969.db2.gz ILLUCMSZIXPBHL-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000658094717 411243026 /nfs/dbraw/zinc/24/30/26/411243026.db2.gz ALFUULAALSIEQZ-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000658094717 411243031 /nfs/dbraw/zinc/24/30/31/411243031.db2.gz ALFUULAALSIEQZ-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1c[nH+]c(C)nc1NCCC[N@@H+](C)C(C)C ZINC000656107981 411179496 /nfs/dbraw/zinc/17/94/96/411179496.db2.gz IWIKCPREQWJUPZ-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP Cc1c[nH+]c(C)nc1NCCC[N@H+](C)C(C)C ZINC000656107981 411179498 /nfs/dbraw/zinc/17/94/98/411179498.db2.gz IWIKCPREQWJUPZ-UHFFFAOYSA-N 2 2 236.363 2.236 20 0 BEADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658094645 411243777 /nfs/dbraw/zinc/24/37/77/411243777.db2.gz ZQZNKMCHKULZLA-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658094645 411243778 /nfs/dbraw/zinc/24/37/78/411243778.db2.gz ZQZNKMCHKULZLA-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H]1C ZINC000658095498 411243780 /nfs/dbraw/zinc/24/37/80/411243780.db2.gz ILLUCMSZIXPBHL-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)[C@@H]1C ZINC000658095498 411243781 /nfs/dbraw/zinc/24/37/81/411243781.db2.gz ILLUCMSZIXPBHL-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP COC1([C@H](C)[NH2+]CC2([NH+](C)C)CCC2)CCC1 ZINC000657984510 411188671 /nfs/dbraw/zinc/18/86/71/411188671.db2.gz ILSILNNZLVEJEE-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc[nH+]1 ZINC000656226190 411215201 /nfs/dbraw/zinc/21/52/01/411215201.db2.gz LLZXDBHCPNDIMN-OLZOCXBDSA-N 2 2 246.358 2.214 20 0 BEADLP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658055864 411222313 /nfs/dbraw/zinc/22/23/13/411222313.db2.gz JQUJEONZOURMOJ-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658055864 411222316 /nfs/dbraw/zinc/22/23/16/411222316.db2.gz JQUJEONZOURMOJ-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658055862 411222373 /nfs/dbraw/zinc/22/23/73/411222373.db2.gz JQUJEONZOURMOJ-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658055862 411222375 /nfs/dbraw/zinc/22/23/75/411222375.db2.gz JQUJEONZOURMOJ-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000658059442 411227110 /nfs/dbraw/zinc/22/71/10/411227110.db2.gz JJXIXIIEAKMPQL-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000658059442 411227113 /nfs/dbraw/zinc/22/71/13/411227113.db2.gz JJXIXIIEAKMPQL-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656276881 411227524 /nfs/dbraw/zinc/22/75/24/411227524.db2.gz JJYHMYXGKXWMRK-AAVRWANBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656276881 411227525 /nfs/dbraw/zinc/22/75/25/411227525.db2.gz JJYHMYXGKXWMRK-AAVRWANBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656276884 411227560 /nfs/dbraw/zinc/22/75/60/411227560.db2.gz JJYHMYXGKXWMRK-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656276884 411227563 /nfs/dbraw/zinc/22/75/63/411227563.db2.gz JJYHMYXGKXWMRK-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccoc1 ZINC000422976594 411236149 /nfs/dbraw/zinc/23/61/49/411236149.db2.gz VJLRCVBKIIADMY-IUODEOHRSA-N 2 2 244.338 2.328 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000658089639 411240551 /nfs/dbraw/zinc/24/05/51/411240551.db2.gz ANTXZUYZNFKLEI-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000658089639 411240554 /nfs/dbraw/zinc/24/05/54/411240554.db2.gz ANTXZUYZNFKLEI-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091079 411242197 /nfs/dbraw/zinc/24/21/97/411242197.db2.gz KTLYZRCSZTUTCP-VXGBXAGGSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091079 411242198 /nfs/dbraw/zinc/24/21/98/411242198.db2.gz KTLYZRCSZTUTCP-VXGBXAGGSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000111380909 411167483 /nfs/dbraw/zinc/16/74/83/411167483.db2.gz FEHKHSAKYNROAK-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000111380909 411167485 /nfs/dbraw/zinc/16/74/85/411167485.db2.gz FEHKHSAKYNROAK-SECBINFHSA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)[N@H+](C)C1CC1 ZINC000655717263 411276809 /nfs/dbraw/zinc/27/68/09/411276809.db2.gz ZKWYJNQSFBEEPA-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)[N@@H+](C)C1CC1 ZINC000655717263 411276812 /nfs/dbraw/zinc/27/68/12/411276812.db2.gz ZKWYJNQSFBEEPA-QJPTWQEYSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000401700708 411289545 /nfs/dbraw/zinc/28/95/45/411289545.db2.gz OJZGIZWUCRIJGV-SCRDCRAPSA-N 2 2 218.344 2.335 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000186277814 411293257 /nfs/dbraw/zinc/29/32/57/411293257.db2.gz YXVOTCOAFGNLRS-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000186277814 411293258 /nfs/dbraw/zinc/29/32/58/411293258.db2.gz YXVOTCOAFGNLRS-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@]1(C)CC1(C)C ZINC000658309980 411330894 /nfs/dbraw/zinc/33/08/94/411330894.db2.gz ZZWOVCVPECTPCI-MPKXVKKWSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@]1(C)CC1(C)C ZINC000658309980 411330897 /nfs/dbraw/zinc/33/08/97/411330897.db2.gz ZZWOVCVPECTPCI-MPKXVKKWSA-N 2 2 222.376 2.247 20 0 BEADLP COCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000658239485 411308351 /nfs/dbraw/zinc/30/83/51/411308351.db2.gz DHGWWPPZCJJLPC-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658285706 411322212 /nfs/dbraw/zinc/32/22/12/411322212.db2.gz MQCZLTYPWOJUAN-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658285706 411322216 /nfs/dbraw/zinc/32/22/16/411322216.db2.gz MQCZLTYPWOJUAN-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000658287213 411323862 /nfs/dbraw/zinc/32/38/62/411323862.db2.gz XGWXLWVFYDKUSZ-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000658287213 411323863 /nfs/dbraw/zinc/32/38/63/411323863.db2.gz XGWXLWVFYDKUSZ-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCC[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784638 411361701 /nfs/dbraw/zinc/36/17/01/411361701.db2.gz GHOTVCTVGXDPQS-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784638 411361702 /nfs/dbraw/zinc/36/17/02/411361702.db2.gz GHOTVCTVGXDPQS-NWDGAFQWSA-N 2 2 212.381 2.482 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](CC(C)(C)[NH3+])CC2 ZINC000656787225 411365770 /nfs/dbraw/zinc/36/57/70/411365770.db2.gz HNDALRNZIDAQPB-UHFFFAOYSA-N 2 2 218.344 2.090 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](CC(C)(C)[NH3+])CC2 ZINC000656787225 411365772 /nfs/dbraw/zinc/36/57/72/411365772.db2.gz HNDALRNZIDAQPB-UHFFFAOYSA-N 2 2 218.344 2.090 20 0 BEADLP COc1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788680 411367963 /nfs/dbraw/zinc/36/79/63/411367963.db2.gz WXDWRMAJMRBJDB-UHFFFAOYSA-N 2 2 234.343 2.056 20 0 BEADLP CCc1ncc(C[NH2+]CC2([NH3+])CCCC2)s1 ZINC000656788157 411368267 /nfs/dbraw/zinc/36/82/67/411368267.db2.gz FQEMTCQXGHMPQX-UHFFFAOYSA-N 2 2 239.388 2.067 20 0 BEADLP Cc1ccc(F)c(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656788788 411369294 /nfs/dbraw/zinc/36/92/94/411369294.db2.gz ZFTREBCAOCAOLF-UHFFFAOYSA-N 2 2 236.334 2.495 20 0 BEADLP CC(C)CC1([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000658321336 411333693 /nfs/dbraw/zinc/33/36/93/411333693.db2.gz OKCAQSDYGZOSCF-NEPJUHHUSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CC1([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000658321336 411333698 /nfs/dbraw/zinc/33/36/98/411333698.db2.gz OKCAQSDYGZOSCF-NEPJUHHUSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)C[C@H](C)[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583963 411337925 /nfs/dbraw/zinc/33/79/25/411337925.db2.gz OTCLQSYMGFZGTD-NSHDSACASA-N 2 2 207.321 2.133 20 0 BEADLP CC(C)C[C@H](C)[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583963 411337929 /nfs/dbraw/zinc/33/79/29/411337929.db2.gz OTCLQSYMGFZGTD-NSHDSACASA-N 2 2 207.321 2.133 20 0 BEADLP c1[nH+]cn2c1C[N@H+](CCCC1CCC1)CC2 ZINC000660583918 411338257 /nfs/dbraw/zinc/33/82/57/411338257.db2.gz OLGPUQYYUGGOBB-UHFFFAOYSA-N 2 2 219.332 2.279 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](CCCC1CCC1)CC2 ZINC000660583918 411338261 /nfs/dbraw/zinc/33/82/61/411338261.db2.gz OLGPUQYYUGGOBB-UHFFFAOYSA-N 2 2 219.332 2.279 20 0 BEADLP CC1(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000336781605 168043769 /nfs/dbraw/zinc/04/37/69/168043769.db2.gz VCZMNAJBONRPIY-UHFFFAOYSA-N 2 2 215.300 2.224 20 0 BEADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC000235702594 168123650 /nfs/dbraw/zinc/12/36/50/168123650.db2.gz VHALYSGAMYYOEY-TZMCWYRMSA-N 2 2 233.359 2.465 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777863 168157180 /nfs/dbraw/zinc/15/71/80/168157180.db2.gz JSKFKBYNLBTBGK-GNRIBBGQSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777863 168157181 /nfs/dbraw/zinc/15/71/81/168157181.db2.gz JSKFKBYNLBTBGK-GNRIBBGQSA-N 2 2 224.392 2.352 20 0 BEADLP CC1CCC([N@@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC000049661738 168158959 /nfs/dbraw/zinc/15/89/59/168158959.db2.gz ZYFZMVOWPFMSGA-CPCZMJQVSA-N 2 2 210.365 2.106 20 0 BEADLP CC1CCC([N@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC000049661738 168158963 /nfs/dbraw/zinc/15/89/63/168158963.db2.gz ZYFZMVOWPFMSGA-CPCZMJQVSA-N 2 2 210.365 2.106 20 0 BEADLP CC1CCC([N@@H+]2CC[NH2+][C@@H](C)CC2)CC1 ZINC000049661741 168160236 /nfs/dbraw/zinc/16/02/36/168160236.db2.gz IVDSOUNOYLDPKU-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([N@H+]2CC[NH2+][C@@H](C)CC2)CC1 ZINC000049661741 168160238 /nfs/dbraw/zinc/16/02/38/168160238.db2.gz IVDSOUNOYLDPKU-CPCZMJQVSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(C)CC2)C1 ZINC000053389481 168163362 /nfs/dbraw/zinc/16/33/62/168163362.db2.gz DPURQCVDSXWFNU-MOKVOYLWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(C)CC2)C1 ZINC000053389481 168163363 /nfs/dbraw/zinc/16/33/63/168163363.db2.gz DPURQCVDSXWFNU-MOKVOYLWSA-N 2 2 224.392 2.497 20 0 BEADLP CC1CC[NH+](CCC[NH2+]Cc2ccccn2)CC1 ZINC000020146338 168179572 /nfs/dbraw/zinc/17/95/72/168179572.db2.gz OASPUOBXIWATJA-UHFFFAOYSA-N 2 2 247.386 2.293 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)[C@H]1C ZINC000336649260 168181445 /nfs/dbraw/zinc/18/14/45/168181445.db2.gz DCOLFNSXWQFQQE-MELADBBJSA-N 2 2 224.392 2.352 20 0 BEADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000274719546 168302760 /nfs/dbraw/zinc/30/27/60/168302760.db2.gz DDTROMUUXLQIIQ-LLVKDONJSA-N 2 2 249.358 2.495 20 0 BEADLP Cc1ccsc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000655790008 411456265 /nfs/dbraw/zinc/45/62/65/411456265.db2.gz BEXVBYCNPQSOHB-UHFFFAOYSA-N 2 2 224.373 2.239 20 0 BEADLP CC[C@@H](C[NH2+][C@H]1CO[C@H](CC)C1)[NH+]1CCCC1 ZINC000657306579 411458032 /nfs/dbraw/zinc/45/80/32/411458032.db2.gz NHDZCQYRSRPRRB-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)s1 ZINC000657313640 411460359 /nfs/dbraw/zinc/46/03/59/411460359.db2.gz VDIBCJOOXIGSCG-UHFFFAOYSA-N 2 2 247.367 2.489 20 0 BEADLP COc1ccc(N[C@H](C)CCCC[NH3+])[nH+]c1 ZINC000309449037 411397260 /nfs/dbraw/zinc/39/72/60/411397260.db2.gz NVDXDCDCVUKMPF-SNVBAGLBSA-N 2 2 223.320 2.020 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)CCO1 ZINC000070360180 411408639 /nfs/dbraw/zinc/40/86/39/411408639.db2.gz FSUOUILDJPVEKK-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1F ZINC000653609465 411439254 /nfs/dbraw/zinc/43/92/54/411439254.db2.gz OGWVOMYCQXEPIT-WCQYABFASA-N 2 2 239.338 2.033 20 0 BEADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1F ZINC000653609465 411439257 /nfs/dbraw/zinc/43/92/57/411439257.db2.gz OGWVOMYCQXEPIT-WCQYABFASA-N 2 2 239.338 2.033 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC000217594502 411450726 /nfs/dbraw/zinc/45/07/26/411450726.db2.gz ZEZAPXXZJPONGS-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000217594502 411450728 /nfs/dbraw/zinc/45/07/28/411450728.db2.gz ZEZAPXXZJPONGS-VXGBXAGGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657296991 411454092 /nfs/dbraw/zinc/45/40/92/411454092.db2.gz GLJCOQMXMPSUMG-UHFFFAOYSA-N 2 2 221.348 2.355 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)c2ccncc2)n1C ZINC000657389346 411490735 /nfs/dbraw/zinc/49/07/35/411490735.db2.gz KJNBHVQMNAULBB-LLVKDONJSA-N 2 2 244.342 2.017 20 0 BEADLP Cc1ccc(NCc2c[nH+]c3n2CCC3)c(C)[nH+]1 ZINC000657413730 411499772 /nfs/dbraw/zinc/49/97/72/411499772.db2.gz QCYAFKCSRDOQGL-UHFFFAOYSA-N 2 2 242.326 2.453 20 0 BEADLP CC1(C)CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657423234 411503060 /nfs/dbraw/zinc/50/30/60/411503060.db2.gz BLZYLWABURWZPE-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336750734 411510432 /nfs/dbraw/zinc/51/04/32/411510432.db2.gz ZRPMEYWDEHUURZ-OPRDCNLKSA-N 2 2 238.297 2.257 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336750734 411510435 /nfs/dbraw/zinc/51/04/35/411510435.db2.gz ZRPMEYWDEHUURZ-OPRDCNLKSA-N 2 2 238.297 2.257 20 0 BEADLP Cc1cscc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657451222 411510638 /nfs/dbraw/zinc/51/06/38/411510638.db2.gz LDVSQSJOEKRNIS-UHFFFAOYSA-N 2 2 247.367 2.489 20 0 BEADLP CC1(C)CC(C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657444102 411512992 /nfs/dbraw/zinc/51/29/92/411512992.db2.gz UYEIFLAQLWZSRK-UHFFFAOYSA-N 2 2 233.359 2.355 20 0 BEADLP C[C@@H]1C[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000659999650 411524803 /nfs/dbraw/zinc/52/48/03/411524803.db2.gz VPUQAEQVNIYYMH-DGCLKSJQSA-N 2 2 249.358 2.157 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1C[C@H]1C1CCC1)CCC2 ZINC000657496214 411535240 /nfs/dbraw/zinc/53/52/40/411535240.db2.gz PGOWFAKDSJTIPX-QWHCGFSZSA-N 2 2 231.343 2.108 20 0 BEADLP CC[N@@H+]1CC[C@@H](N(C)c2cc(C)[nH+]cn2)C[C@H]1C ZINC000354352574 170009964 /nfs/dbraw/zinc/00/99/64/170009964.db2.gz IJUNEZPQPXRXIT-CHWSQXEVSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@@H](N(C)c2cc(C)[nH+]cn2)C[C@H]1C ZINC000354352574 170009965 /nfs/dbraw/zinc/00/99/65/170009965.db2.gz IJUNEZPQPXRXIT-CHWSQXEVSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2occc2C)[C@H](C)C1 ZINC000266138384 170013346 /nfs/dbraw/zinc/01/33/46/170013346.db2.gz SZVXMGRPTYECGM-CHWSQXEVSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2occc2C)[C@H](C)C1 ZINC000266138384 170013348 /nfs/dbraw/zinc/01/33/48/170013348.db2.gz SZVXMGRPTYECGM-CHWSQXEVSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328462478 170013869 /nfs/dbraw/zinc/01/38/69/170013869.db2.gz HVWRWPKHNCQRFY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328462478 170013871 /nfs/dbraw/zinc/01/38/71/170013871.db2.gz HVWRWPKHNCQRFY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000336899513 170014128 /nfs/dbraw/zinc/01/41/28/170014128.db2.gz REGMUYMLLHFGBN-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000336899513 170014130 /nfs/dbraw/zinc/01/41/30/170014130.db2.gz REGMUYMLLHFGBN-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000334578968 170014457 /nfs/dbraw/zinc/01/44/57/170014457.db2.gz MZSZOWFDNNGMKS-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000334578968 170014458 /nfs/dbraw/zinc/01/44/58/170014458.db2.gz MZSZOWFDNNGMKS-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP c1cncc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655856620 411539127 /nfs/dbraw/zinc/53/91/27/411539127.db2.gz PLRKOWLDFUOTHS-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655856620 411539130 /nfs/dbraw/zinc/53/91/30/411539130.db2.gz PLRKOWLDFUOTHS-GJZGRUSLSA-N 2 2 245.370 2.188 20 0 BEADLP Cn1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857735 411539426 /nfs/dbraw/zinc/53/94/26/411539426.db2.gz VCSWTZVEFDXMPL-CABCVRRESA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857735 411539429 /nfs/dbraw/zinc/53/94/29/411539429.db2.gz VCSWTZVEFDXMPL-CABCVRRESA-N 2 2 247.386 2.132 20 0 BEADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000655857278 411539503 /nfs/dbraw/zinc/53/95/03/411539503.db2.gz RMDKXDQJQNWCFW-QWHCGFSZSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000655857278 411539505 /nfs/dbraw/zinc/53/95/05/411539505.db2.gz RMDKXDQJQNWCFW-QWHCGFSZSA-N 2 2 208.349 2.003 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c[nH]1 ZINC000655856732 411539575 /nfs/dbraw/zinc/53/95/75/411539575.db2.gz OXZRRCCJAFOETG-KBPBESRZSA-N 2 2 233.359 2.121 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c[nH]1 ZINC000655856732 411539577 /nfs/dbraw/zinc/53/95/77/411539577.db2.gz OXZRRCCJAFOETG-KBPBESRZSA-N 2 2 233.359 2.121 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccs2)C1 ZINC000309494334 170029492 /nfs/dbraw/zinc/02/94/92/170029492.db2.gz XZUFNXXLXRUYKL-YPMHNXCESA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccs2)C1 ZINC000309494334 170029493 /nfs/dbraw/zinc/02/94/93/170029493.db2.gz XZUFNXXLXRUYKL-YPMHNXCESA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000309678126 170030059 /nfs/dbraw/zinc/03/00/59/170030059.db2.gz YMBATAXDOBFODO-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000309678126 170030060 /nfs/dbraw/zinc/03/00/60/170030060.db2.gz YMBATAXDOBFODO-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000336778782 170030619 /nfs/dbraw/zinc/03/06/19/170030619.db2.gz MIGQMSORBUHCAQ-YPMHNXCESA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccsc2)C1 ZINC000336778782 170030621 /nfs/dbraw/zinc/03/06/21/170030621.db2.gz MIGQMSORBUHCAQ-YPMHNXCESA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000339791963 170030827 /nfs/dbraw/zinc/03/08/27/170030827.db2.gz KZRMNBJRLDSZJR-JLVJUDLZSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000339791963 170030829 /nfs/dbraw/zinc/03/08/29/170030829.db2.gz KZRMNBJRLDSZJR-JLVJUDLZSA-N 2 2 236.403 2.497 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000655858463 411540189 /nfs/dbraw/zinc/54/01/89/411540189.db2.gz ZVNIANKBHZCXGJ-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC000655858463 411540190 /nfs/dbraw/zinc/54/01/90/411540190.db2.gz ZVNIANKBHZCXGJ-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000309959446 170034546 /nfs/dbraw/zinc/03/45/46/170034546.db2.gz KHOIVUJNWKVACA-GUBZILKMSA-N 2 2 238.297 2.115 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000309959446 170034548 /nfs/dbraw/zinc/03/45/48/170034548.db2.gz KHOIVUJNWKVACA-GUBZILKMSA-N 2 2 238.297 2.115 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCC=C(C)C)[C@@H](C)C1 ZINC000309060747 170034626 /nfs/dbraw/zinc/03/46/26/170034626.db2.gz WKSMVFLSYNZIEL-STQMWFEESA-N 2 2 210.365 2.273 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000336782273 170034659 /nfs/dbraw/zinc/03/46/59/170034659.db2.gz XDEJUUWHLRPOJC-RYUDHWBXSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC2(CC)CCC2)[C@@H](C)C1 ZINC000309986752 170034847 /nfs/dbraw/zinc/03/48/47/170034847.db2.gz YQDFKESSAJWNGN-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CC)CCC2)[C@@H](C)C1 ZINC000309986752 170034848 /nfs/dbraw/zinc/03/48/48/170034848.db2.gz YQDFKESSAJWNGN-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC)CCC2)C1 ZINC000309986751 170037596 /nfs/dbraw/zinc/03/75/96/170037596.db2.gz YQDFKESSAJWNGN-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC)CCC2)C1 ZINC000309986751 170037597 /nfs/dbraw/zinc/03/75/97/170037597.db2.gz YQDFKESSAJWNGN-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H]2C)C1 ZINC000309916656 170038947 /nfs/dbraw/zinc/03/89/47/170038947.db2.gz PSPDHJMFVUFDHD-IGQOVBAYSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@@H]2C)C1 ZINC000309916656 170038949 /nfs/dbraw/zinc/03/89/49/170038949.db2.gz PSPDHJMFVUFDHD-IGQOVBAYSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000358283816 170039851 /nfs/dbraw/zinc/03/98/51/170039851.db2.gz DKNCPJZMQULDET-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000358283816 170039852 /nfs/dbraw/zinc/03/98/52/170039852.db2.gz DKNCPJZMQULDET-QJPTWQEYSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCSCC1 ZINC000657523421 411541689 /nfs/dbraw/zinc/54/16/89/411541689.db2.gz IBQUEDUGPYREBN-GFCCVEGCSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCSCC1 ZINC000657523421 411541691 /nfs/dbraw/zinc/54/16/91/411541691.db2.gz IBQUEDUGPYREBN-GFCCVEGCSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000657527726 411541710 /nfs/dbraw/zinc/54/17/10/411541710.db2.gz YEDPXONFTAVYBK-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000657527726 411541712 /nfs/dbraw/zinc/54/17/12/411541712.db2.gz YEDPXONFTAVYBK-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)c2ccccn2)n1C ZINC000657534779 411544402 /nfs/dbraw/zinc/54/44/02/411544402.db2.gz TXLXKDDSUPVNRU-NSHDSACASA-N 2 2 244.342 2.017 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849443 411538262 /nfs/dbraw/zinc/53/82/62/411538262.db2.gz UYFXQPXKTFHPSG-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849443 411538265 /nfs/dbraw/zinc/53/82/65/411538265.db2.gz UYFXQPXKTFHPSG-REWJHTLYSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000657564516 411553274 /nfs/dbraw/zinc/55/32/74/411553274.db2.gz ZXVZRQZOHUGHLM-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000657564516 411553275 /nfs/dbraw/zinc/55/32/75/411553275.db2.gz ZXVZRQZOHUGHLM-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP COCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564578 411553326 /nfs/dbraw/zinc/55/33/26/411553326.db2.gz WPJAYPPBSKYLGD-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC(C)(C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564578 411553327 /nfs/dbraw/zinc/55/33/27/411553327.db2.gz WPJAYPPBSKYLGD-LBPRGKRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1C ZINC000657626478 411566049 /nfs/dbraw/zinc/56/60/49/411566049.db2.gz KPURCNCNYVYNLP-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1C ZINC000657626478 411566050 /nfs/dbraw/zinc/56/60/50/411566050.db2.gz KPURCNCNYVYNLP-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP CC[C@@H](C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000657586138 411557306 /nfs/dbraw/zinc/55/73/06/411557306.db2.gz IGENDQWQABXAKU-SNVBAGLBSA-N 2 2 209.337 2.254 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCC2CCC2)n1C ZINC000657667983 411573758 /nfs/dbraw/zinc/57/37/58/411573758.db2.gz VXVUHOMOBHZUKM-UHFFFAOYSA-N 2 2 221.348 2.398 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000657668055 411574051 /nfs/dbraw/zinc/57/40/51/411574051.db2.gz WRVDAZJYOBEHBK-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000657668055 411574052 /nfs/dbraw/zinc/57/40/52/411574052.db2.gz WRVDAZJYOBEHBK-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)(F)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657645728 411569533 /nfs/dbraw/zinc/56/95/33/411569533.db2.gz GQKHRQFYZLJGGF-UHFFFAOYSA-N 2 2 225.311 2.057 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CC1 ZINC000657681985 411577889 /nfs/dbraw/zinc/57/78/89/411577889.db2.gz TVBDHWGXKCRLHK-GFCCVEGCSA-N 2 2 207.321 2.007 20 0 BEADLP CC/C=C/CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660581775 411602018 /nfs/dbraw/zinc/60/20/18/411602018.db2.gz JICWLVPKUKUEIZ-ONEGZZNKSA-N 2 2 205.305 2.055 20 0 BEADLP CC/C=C/CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660581775 411602020 /nfs/dbraw/zinc/60/20/20/411602020.db2.gz JICWLVPKUKUEIZ-ONEGZZNKSA-N 2 2 205.305 2.055 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CCCSCC2)c[nH+]1 ZINC000657819974 411606445 /nfs/dbraw/zinc/60/64/45/411606445.db2.gz ZJLSYKOMRJHWCW-GFCCVEGCSA-N 2 2 239.388 2.149 20 0 BEADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657819658 411606464 /nfs/dbraw/zinc/60/64/64/411606464.db2.gz GCEYXHMOAAFYOW-AGIUHOORSA-N 2 2 233.359 2.297 20 0 BEADLP CC[N@H+](CC[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000657864070 411613363 /nfs/dbraw/zinc/61/33/63/411613363.db2.gz JYJFSDAAUDQGDX-UHFFFAOYSA-N 2 2 246.345 2.148 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000657864070 411613365 /nfs/dbraw/zinc/61/33/65/411613365.db2.gz JYJFSDAAUDQGDX-UHFFFAOYSA-N 2 2 246.345 2.148 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)C(F)F ZINC000657873822 411614964 /nfs/dbraw/zinc/61/49/64/411614964.db2.gz ZIQJXCCFZZGNOD-DTWKUNHWSA-N 2 2 222.323 2.206 20 0 BEADLP c1oc2ccccc2c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497611 411678460 /nfs/dbraw/zinc/67/84/60/411678460.db2.gz IHVABMVVNBJJAL-UHFFFAOYSA-N 2 2 242.322 2.274 20 0 BEADLP Fc1ccc(/C=C/C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499056 411682426 /nfs/dbraw/zinc/68/24/26/411682426.db2.gz VVPUHTKXLALDOT-OWOJBTEDSA-N 2 2 246.329 2.181 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000663510035 411691562 /nfs/dbraw/zinc/69/15/62/411691562.db2.gz NZBARGPYCHTKIT-SNVBAGLBSA-N 2 2 248.326 2.139 20 0 BEADLP C[C@@H](C[NH+](C)C)Nc1[nH+]ccc2c(N)cccc21 ZINC000663912623 411772816 /nfs/dbraw/zinc/77/28/16/411772816.db2.gz OGYBZIMNYVXLDC-JTQLQIEISA-N 2 2 244.342 2.179 20 0 BEADLP CC[N@@H+]1CCCN(c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000664005478 411810334 /nfs/dbraw/zinc/81/03/34/411810334.db2.gz GDRGMTZPYMRNSB-GFCCVEGCSA-N 2 2 248.374 2.014 20 0 BEADLP CC[N@H+]1CCCN(c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000664005478 411810336 /nfs/dbraw/zinc/81/03/36/411810336.db2.gz GDRGMTZPYMRNSB-GFCCVEGCSA-N 2 2 248.374 2.014 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000661861170 411907783 /nfs/dbraw/zinc/90/77/83/411907783.db2.gz NUUPWLHBALIRPT-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000661861170 411907786 /nfs/dbraw/zinc/90/77/86/411907786.db2.gz NUUPWLHBALIRPT-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H](CCO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354477335 170820694 /nfs/dbraw/zinc/82/06/94/170820694.db2.gz MTEBSYRSGJLWRP-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC(F)CC1 ZINC000662001427 411939627 /nfs/dbraw/zinc/93/96/27/411939627.db2.gz MIOISTOFGYKLNV-PNESKVBLSA-N 2 2 239.338 2.390 20 0 BEADLP Cc1cc(N[C@@H](C)c2[nH+]ccn2C)nc(C)[nH+]1 ZINC000664609055 411998547 /nfs/dbraw/zinc/99/85/47/411998547.db2.gz URBVXJZGHUWIDX-VIFPVBQESA-N 2 2 231.303 2.000 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368105544 171003173 /nfs/dbraw/zinc/00/31/73/171003173.db2.gz TVNJKFIHJSQVJV-IJLUTSLNSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368105544 171003174 /nfs/dbraw/zinc/00/31/74/171003174.db2.gz TVNJKFIHJSQVJV-IJLUTSLNSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000336676867 171042611 /nfs/dbraw/zinc/04/26/11/171042611.db2.gz BYNQFMDTDOJSJC-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000308935123 171057480 /nfs/dbraw/zinc/05/74/80/171057480.db2.gz KRNDKKYMXYFXPT-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCS1 ZINC000270656592 171083232 /nfs/dbraw/zinc/08/32/32/171083232.db2.gz NGGPAFDOHDQHKZ-GFCCVEGCSA-N 2 2 239.388 2.019 20 0 BEADLP CC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCS1 ZINC000270656592 171083235 /nfs/dbraw/zinc/08/32/35/171083235.db2.gz NGGPAFDOHDQHKZ-GFCCVEGCSA-N 2 2 239.388 2.019 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662273126 412064447 /nfs/dbraw/zinc/06/44/47/412064447.db2.gz LTVRVHKPWJQMQL-BJJPWKGXSA-N 2 2 240.366 2.054 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662273126 412064451 /nfs/dbraw/zinc/06/44/51/412064451.db2.gz LTVRVHKPWJQMQL-BJJPWKGXSA-N 2 2 240.366 2.054 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc(C(C)(C)C)c1 ZINC000662279931 412071343 /nfs/dbraw/zinc/07/13/43/412071343.db2.gz AWQDYRALBDBLJY-UHFFFAOYSA-N 2 2 220.360 2.375 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc(C(C)(C)C)c1 ZINC000662279931 412071346 /nfs/dbraw/zinc/07/13/46/412071346.db2.gz AWQDYRALBDBLJY-UHFFFAOYSA-N 2 2 220.360 2.375 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544786 171296102 /nfs/dbraw/zinc/29/61/02/171296102.db2.gz YTZGWYJAGBGQIG-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544786 171296103 /nfs/dbraw/zinc/29/61/03/171296103.db2.gz YTZGWYJAGBGQIG-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596132 171341330 /nfs/dbraw/zinc/34/13/30/171341330.db2.gz GVTIUMJOVLXYBR-FZMZJTMJSA-N 2 2 218.344 2.262 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506084 171364965 /nfs/dbraw/zinc/36/49/65/171364965.db2.gz BBGMTXWRJIQWBK-NWDGAFQWSA-N 2 2 209.337 2.297 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000252428998 171390115 /nfs/dbraw/zinc/39/01/15/171390115.db2.gz LHJGJUJHJQVARB-TUAOUCFPSA-N 2 2 209.337 2.296 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336741416 171390501 /nfs/dbraw/zinc/39/05/01/171390501.db2.gz QZYNHBSMUHNTFK-ZJQBRPOHSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336741416 171390502 /nfs/dbraw/zinc/39/05/02/171390502.db2.gz QZYNHBSMUHNTFK-ZJQBRPOHSA-N 2 2 224.392 2.493 20 0 BEADLP CSc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662306768 412092542 /nfs/dbraw/zinc/09/25/42/412092542.db2.gz DEHAXLQVQCYEBH-UHFFFAOYSA-N 2 2 248.395 2.332 20 0 BEADLP CSc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662306768 412092546 /nfs/dbraw/zinc/09/25/46/412092546.db2.gz DEHAXLQVQCYEBH-UHFFFAOYSA-N 2 2 248.395 2.332 20 0 BEADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662324935 412103025 /nfs/dbraw/zinc/10/30/25/412103025.db2.gz FKCKVWZIZKTOFA-MRVWCRGKSA-N 2 2 236.334 2.427 20 0 BEADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662324935 412103028 /nfs/dbraw/zinc/10/30/28/412103028.db2.gz FKCKVWZIZKTOFA-MRVWCRGKSA-N 2 2 236.334 2.427 20 0 BEADLP Cn1c[nH+]cc1-c1cc(C[NH+](C)C)ccc1F ZINC000665195894 412129676 /nfs/dbraw/zinc/12/96/76/412129676.db2.gz UQZFZQCQOMCLCX-UHFFFAOYSA-N 2 2 233.290 2.288 20 0 BEADLP C[NH+](C)Cc1cc(-c2c[nH]c[nH+]2)ccc1F ZINC000665199772 412132186 /nfs/dbraw/zinc/13/21/86/412132186.db2.gz WXWXGBKRLKFRKQ-UHFFFAOYSA-N 2 2 219.263 2.277 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665236114 412175877 /nfs/dbraw/zinc/17/58/77/412175877.db2.gz HNHOAWJFMMSDBZ-AVGNSLFASA-N 2 2 242.407 2.168 20 0 BEADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cscn1 ZINC000665240761 412183437 /nfs/dbraw/zinc/18/34/37/412183437.db2.gz RVXUEGGZHHDXCH-NFLHVTIKSA-N 2 2 237.372 2.077 20 0 BEADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000665276741 412218838 /nfs/dbraw/zinc/21/88/38/412218838.db2.gz LJBYPFHICWMYOB-CDWSIMAYSA-N 2 2 234.318 2.228 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)no1 ZINC000665281813 412226768 /nfs/dbraw/zinc/22/67/68/412226768.db2.gz LESXTURLLKESNE-GHMZBOCLSA-N 2 2 225.336 2.007 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000665288792 412234435 /nfs/dbraw/zinc/23/44/35/412234435.db2.gz YBCQTTNRTZMOLP-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000665288792 412234437 /nfs/dbraw/zinc/23/44/37/412234437.db2.gz YBCQTTNRTZMOLP-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000665294691 412234460 /nfs/dbraw/zinc/23/44/60/412234460.db2.gz UIMRLYFKGYLPSB-VXGBXAGGSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000665294329 412239236 /nfs/dbraw/zinc/23/92/36/412239236.db2.gz MQDSOGYKVXTIOY-UWVGGRQHSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000665294331 412239357 /nfs/dbraw/zinc/23/93/57/412239357.db2.gz MQDSOGYKVXTIOY-ZJUUUORDSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000665294053 412239549 /nfs/dbraw/zinc/23/95/49/412239549.db2.gz HIMCUXQQHZLPNQ-BXUZGUMPSA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000665295428 412242369 /nfs/dbraw/zinc/24/23/69/412242369.db2.gz DLQOPHIOGQFZAJ-GXFFZTMASA-N 2 2 239.338 2.115 20 0 BEADLP CCC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccccn1 ZINC000665296469 412242500 /nfs/dbraw/zinc/24/25/00/412242500.db2.gz SVZVLDQBDPGXPC-YPMHNXCESA-N 2 2 221.348 2.120 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000665297965 412244301 /nfs/dbraw/zinc/24/43/01/412244301.db2.gz PERSRCVROYABEA-BXUZGUMPSA-N 2 2 248.370 2.270 20 0 BEADLP CCc1ncc(C[NH2+][C@@H](C)CC[NH+](C)C)s1 ZINC000049554428 172018447 /nfs/dbraw/zinc/01/84/47/172018447.db2.gz BZAWWXMSMMGXQX-JTQLQIEISA-N 2 2 241.404 2.135 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1CC=CCC1 ZINC000020125961 172394951 /nfs/dbraw/zinc/39/49/51/172394951.db2.gz WWYOGMCZJRKDTI-LBPRGKRZSA-N 2 2 210.365 2.273 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC12CCC2 ZINC000336751156 172397811 /nfs/dbraw/zinc/39/78/11/172397811.db2.gz FNSHRRSQJYLHDK-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309589095 173033573 /nfs/dbraw/zinc/03/35/73/173033573.db2.gz UCHWTRYTWONBSI-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309589095 173033576 /nfs/dbraw/zinc/03/35/76/173033576.db2.gz UCHWTRYTWONBSI-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309569047 173033790 /nfs/dbraw/zinc/03/37/90/173033790.db2.gz NCCYXICJDSOUHR-MGPQQGTHSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309569047 173033791 /nfs/dbraw/zinc/03/37/91/173033791.db2.gz NCCYXICJDSOUHR-MGPQQGTHSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+](CCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000336683966 173038808 /nfs/dbraw/zinc/03/88/08/173038808.db2.gz UFXHEXDYXHZFHC-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP C[N@@H+](CCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000336683966 173038810 /nfs/dbraw/zinc/03/88/10/173038810.db2.gz UFXHEXDYXHZFHC-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP C[NH+](CCC(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000336683966 173038812 /nfs/dbraw/zinc/03/88/12/173038812.db2.gz UFXHEXDYXHZFHC-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP C[NH+](CCC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000336683966 173038813 /nfs/dbraw/zinc/03/88/13/173038813.db2.gz UFXHEXDYXHZFHC-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336275611 173051276 /nfs/dbraw/zinc/05/12/76/173051276.db2.gz WKIGXMGSXXQHGP-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336275611 173051278 /nfs/dbraw/zinc/05/12/78/173051278.db2.gz WKIGXMGSXXQHGP-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336275611 173051280 /nfs/dbraw/zinc/05/12/80/173051280.db2.gz WKIGXMGSXXQHGP-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000336275611 173051281 /nfs/dbraw/zinc/05/12/81/173051281.db2.gz WKIGXMGSXXQHGP-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000335596500 173055628 /nfs/dbraw/zinc/05/56/28/173055628.db2.gz RGWOJMHBQZSLIM-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000335596500 173055629 /nfs/dbraw/zinc/05/56/29/173055629.db2.gz RGWOJMHBQZSLIM-RYUDHWBXSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000300359622 173056069 /nfs/dbraw/zinc/05/60/69/173056069.db2.gz LVHWUHQRUHRZEM-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000300359622 173056072 /nfs/dbraw/zinc/05/60/72/173056072.db2.gz LVHWUHQRUHRZEM-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000261575136 173056729 /nfs/dbraw/zinc/05/67/29/173056729.db2.gz NADNWLLXHKAZCI-HOTGVXAUSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000261575136 173056732 /nfs/dbraw/zinc/05/67/32/173056732.db2.gz NADNWLLXHKAZCI-HOTGVXAUSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@@H+]1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000292930372 173062067 /nfs/dbraw/zinc/06/20/67/173062067.db2.gz ZEJOGJNJYBFYEX-AWEZNQCLSA-N 2 2 231.343 2.004 20 0 BEADLP C[N@H+]1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000292930372 173062069 /nfs/dbraw/zinc/06/20/69/173062069.db2.gz ZEJOGJNJYBFYEX-AWEZNQCLSA-N 2 2 231.343 2.004 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000042543883 173122998 /nfs/dbraw/zinc/12/29/98/173122998.db2.gz MWXSLOWRRYXNPL-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000042543883 173122999 /nfs/dbraw/zinc/12/29/99/173122999.db2.gz MWXSLOWRRYXNPL-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000061984736 173123548 /nfs/dbraw/zinc/12/35/48/173123548.db2.gz GUQLGPARXAKMBL-CYBMUJFWSA-N 2 2 238.762 2.176 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000061984736 173123549 /nfs/dbraw/zinc/12/35/49/173123549.db2.gz GUQLGPARXAKMBL-CYBMUJFWSA-N 2 2 238.762 2.176 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCF)C[C@H]1c1ccccc1 ZINC000340379737 173124504 /nfs/dbraw/zinc/12/45/04/173124504.db2.gz STYZMLFLNPMCLX-KGLIPLIRSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCF)C[C@H]1c1ccccc1 ZINC000340379737 173124507 /nfs/dbraw/zinc/12/45/07/173124507.db2.gz STYZMLFLNPMCLX-KGLIPLIRSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469154 173132506 /nfs/dbraw/zinc/13/25/06/173132506.db2.gz YPKJFFMAHKIXID-IUODEOHRSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469154 173132509 /nfs/dbraw/zinc/13/25/09/173132509.db2.gz YPKJFFMAHKIXID-IUODEOHRSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469154 173132511 /nfs/dbraw/zinc/13/25/11/173132511.db2.gz YPKJFFMAHKIXID-IUODEOHRSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3F)[C@@H]2C1 ZINC000336469154 173132513 /nfs/dbraw/zinc/13/25/13/173132513.db2.gz YPKJFFMAHKIXID-IUODEOHRSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000083357733 173349094 /nfs/dbraw/zinc/34/90/94/173349094.db2.gz YDBDVBQUSDLDFS-UHFFFAOYSA-N 2 2 230.714 2.178 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000077331438 173352831 /nfs/dbraw/zinc/35/28/31/173352831.db2.gz GKUDMIRVERWVOL-UHFFFAOYSA-N 2 2 220.360 2.263 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000077331438 173352833 /nfs/dbraw/zinc/35/28/33/173352833.db2.gz GKUDMIRVERWVOL-UHFFFAOYSA-N 2 2 220.360 2.263 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1cccc2ccccc21 ZINC000037269513 173353656 /nfs/dbraw/zinc/35/36/56/173353656.db2.gz YNMXHNILJJNTSL-UHFFFAOYSA-N 2 2 228.339 2.491 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1cccc2ccccc21 ZINC000037269513 173353657 /nfs/dbraw/zinc/35/36/57/173353657.db2.gz YNMXHNILJJNTSL-UHFFFAOYSA-N 2 2 228.339 2.491 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000039781770 173369298 /nfs/dbraw/zinc/36/92/98/173369298.db2.gz JYQDHDGLUNZDFP-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000039781770 173369299 /nfs/dbraw/zinc/36/92/99/173369299.db2.gz JYQDHDGLUNZDFP-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000039781775 173370079 /nfs/dbraw/zinc/37/00/79/173370079.db2.gz JHPLDBQHBYESJL-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1C ZINC000039781775 173370080 /nfs/dbraw/zinc/37/00/80/173370080.db2.gz JHPLDBQHBYESJL-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOc1ccc(C)cc1 ZINC000019933448 173380172 /nfs/dbraw/zinc/38/01/72/173380172.db2.gz NIKJKFKLDMKTCM-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOc1ccc(C)cc1 ZINC000019933448 173380175 /nfs/dbraw/zinc/38/01/75/173380175.db2.gz NIKJKFKLDMKTCM-CQSZACIVSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000071142136 173381854 /nfs/dbraw/zinc/38/18/54/173381854.db2.gz GOJNGFTZPBZAIT-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000071142136 173381855 /nfs/dbraw/zinc/38/18/55/173381855.db2.gz GOJNGFTZPBZAIT-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000070557927 173382149 /nfs/dbraw/zinc/38/21/49/173382149.db2.gz YCIMBKPKKBWKEW-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000070557927 173382151 /nfs/dbraw/zinc/38/21/51/173382151.db2.gz YCIMBKPKKBWKEW-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP COC1(C[NH2+]CC2([NH+](C)C)CCC2)CCCC1 ZINC000319936234 174000586 /nfs/dbraw/zinc/00/05/86/174000586.db2.gz TZYCUOVKJMDQKM-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP COCCC[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000271495820 174263170 /nfs/dbraw/zinc/26/31/70/174263170.db2.gz LGTDFBRVPRCQCP-ZDUSSCGKSA-N 2 2 236.359 2.337 20 0 BEADLP COCC[NH2+]CC[NH2+]CCC1CCCCCC1 ZINC000161995273 174333614 /nfs/dbraw/zinc/33/36/14/174333614.db2.gz KGSKIZHBTSOSRX-UHFFFAOYSA-N 2 2 242.407 2.173 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326126 175079581 /nfs/dbraw/zinc/07/95/81/175079581.db2.gz RGDGZBJMMOTBDF-OLZOCXBDSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000090339739 175189545 /nfs/dbraw/zinc/18/95/45/175189545.db2.gz SXOBYCBNLHIWLB-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358407187 175190114 /nfs/dbraw/zinc/19/01/14/175190114.db2.gz REDRYPZOKKQSAQ-HUBLWGQQSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358407187 175190116 /nfs/dbraw/zinc/19/01/16/175190116.db2.gz REDRYPZOKKQSAQ-HUBLWGQQSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683862 175266624 /nfs/dbraw/zinc/26/66/24/175266624.db2.gz HIKGYGYHAFAJAD-CYBMUJFWSA-N 2 2 246.354 2.022 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683862 175266625 /nfs/dbraw/zinc/26/66/25/175266625.db2.gz HIKGYGYHAFAJAD-CYBMUJFWSA-N 2 2 246.354 2.022 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000234976010 175286961 /nfs/dbraw/zinc/28/69/61/175286961.db2.gz XZEZFHMQUPZTFO-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042544292 175287466 /nfs/dbraw/zinc/28/74/66/175287466.db2.gz WTEMZKXLENHNSN-DGCLKSJQSA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042544292 175287467 /nfs/dbraw/zinc/28/74/67/175287467.db2.gz WTEMZKXLENHNSN-DGCLKSJQSA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000265265818 175325246 /nfs/dbraw/zinc/32/52/46/175325246.db2.gz RTEAWDHASIFSPN-UHFFFAOYSA-N 2 2 236.359 2.079 20 0 BEADLP COc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000265265818 175325247 /nfs/dbraw/zinc/32/52/47/175325247.db2.gz RTEAWDHASIFSPN-UHFFFAOYSA-N 2 2 236.359 2.079 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000020096618 175351244 /nfs/dbraw/zinc/35/12/44/175351244.db2.gz WKVMSVKPVBVYHG-LBPRGKRZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234899883 175352362 /nfs/dbraw/zinc/35/23/62/175352362.db2.gz TZCKRLHMEMARKH-NWDGAFQWSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC[NH3+] ZINC000054416992 176013287 /nfs/dbraw/zinc/01/32/87/176013287.db2.gz ATOKXKCZJBFWQZ-JTQLQIEISA-N 2 2 218.300 2.384 20 0 BEADLP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC[NH3+] ZINC000054416992 176013290 /nfs/dbraw/zinc/01/32/90/176013290.db2.gz ATOKXKCZJBFWQZ-JTQLQIEISA-N 2 2 218.300 2.384 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000070585814 176075770 /nfs/dbraw/zinc/07/57/70/176075770.db2.gz SREOGLUZORHDBK-UPJWGTAASA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000070585814 176075771 /nfs/dbraw/zinc/07/57/71/176075771.db2.gz SREOGLUZORHDBK-UPJWGTAASA-N 2 2 210.365 2.236 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000034937284 176080709 /nfs/dbraw/zinc/08/07/09/176080709.db2.gz YLNWYYNARWDHMV-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336779308 176097626 /nfs/dbraw/zinc/09/76/26/176097626.db2.gz NXRHQCLFZCLAPK-AGIUHOORSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336779308 176097628 /nfs/dbraw/zinc/09/76/28/176097628.db2.gz NXRHQCLFZCLAPK-AGIUHOORSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)[C@H]1C[NH3+] ZINC000251621214 176100856 /nfs/dbraw/zinc/10/08/56/176100856.db2.gz CNHJNSKPGPMEDR-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@H]1C[NH3+] ZINC000251621214 176100857 /nfs/dbraw/zinc/10/08/57/176100857.db2.gz CNHJNSKPGPMEDR-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070175527 176101297 /nfs/dbraw/zinc/10/12/97/176101297.db2.gz CNHJNSKPGPMEDR-BXUZGUMPSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070175527 176101300 /nfs/dbraw/zinc/10/13/00/176101300.db2.gz CNHJNSKPGPMEDR-BXUZGUMPSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2ccsc2)[C@@H]1C[NH3+] ZINC000069725978 176101598 /nfs/dbraw/zinc/10/15/98/176101598.db2.gz ZCHDXDAIDQQHTQ-ZYHUDNBSSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2ccsc2)[C@@H]1C[NH3+] ZINC000069725978 176101600 /nfs/dbraw/zinc/10/16/00/176101600.db2.gz ZCHDXDAIDQQHTQ-ZYHUDNBSSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000040638501 176143878 /nfs/dbraw/zinc/14/38/78/176143878.db2.gz OWISOBHIGYUPGJ-NEPJUHHUSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784617 176203087 /nfs/dbraw/zinc/20/30/87/176203087.db2.gz SPJCMTPBLMEWLZ-AGIUHOORSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784617 176203089 /nfs/dbraw/zinc/20/30/89/176203089.db2.gz SPJCMTPBLMEWLZ-AGIUHOORSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056406 176207408 /nfs/dbraw/zinc/20/74/08/176207408.db2.gz KPADEYLJJUXKPQ-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000339056406 176207410 /nfs/dbraw/zinc/20/74/10/176207410.db2.gz KPADEYLJJUXKPQ-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000335604161 176272032 /nfs/dbraw/zinc/27/20/32/176272032.db2.gz TVUDFKIBHASMEC-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000335604161 176272034 /nfs/dbraw/zinc/27/20/34/176272034.db2.gz TVUDFKIBHASMEC-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000339513197 176273210 /nfs/dbraw/zinc/27/32/10/176273210.db2.gz UXPMOGJWJUJKEL-OEAJRASXSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000339513197 176273212 /nfs/dbraw/zinc/27/32/12/176273212.db2.gz UXPMOGJWJUJKEL-OEAJRASXSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000339513201 176273285 /nfs/dbraw/zinc/27/32/85/176273285.db2.gz UXPMOGJWJUJKEL-OJLVUWQFSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000339513201 176273287 /nfs/dbraw/zinc/27/32/87/176273287.db2.gz UXPMOGJWJUJKEL-OJLVUWQFSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000309734495 176277650 /nfs/dbraw/zinc/27/76/50/176277650.db2.gz CADFKNPRMWACQY-MGBPRESASA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000309734495 176277651 /nfs/dbraw/zinc/27/76/51/176277651.db2.gz CADFKNPRMWACQY-MGBPRESASA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780499 176277820 /nfs/dbraw/zinc/27/78/20/176277820.db2.gz RNBNHPRLOXLMHM-DGCLKSJQSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000336780499 176277821 /nfs/dbraw/zinc/27/78/21/176277821.db2.gz RNBNHPRLOXLMHM-DGCLKSJQSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555248 176281294 /nfs/dbraw/zinc/28/12/94/176281294.db2.gz JLWFYDJHUJCFSR-NQBHXWOUSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555248 176281295 /nfs/dbraw/zinc/28/12/95/176281295.db2.gz JLWFYDJHUJCFSR-NQBHXWOUSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1[NH3+] ZINC000235394635 176305479 /nfs/dbraw/zinc/30/54/79/176305479.db2.gz AYGGHLKHHXGNKL-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1[NH3+] ZINC000235394635 176305482 /nfs/dbraw/zinc/30/54/82/176305482.db2.gz AYGGHLKHHXGNKL-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000312777471 176327870 /nfs/dbraw/zinc/32/78/70/176327870.db2.gz ZUPHRKOLMKWHGY-PSASIEDQSA-N 2 2 244.791 2.489 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1C ZINC000355882794 176370464 /nfs/dbraw/zinc/37/04/64/176370464.db2.gz SLHQIAVTDHHKJT-ZJUUUORDSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1C ZINC000355882794 176370465 /nfs/dbraw/zinc/37/04/65/176370465.db2.gz SLHQIAVTDHHKJT-ZJUUUORDSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882794 176370467 /nfs/dbraw/zinc/37/04/67/176370467.db2.gz SLHQIAVTDHHKJT-ZJUUUORDSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882794 176370469 /nfs/dbraw/zinc/37/04/69/176370469.db2.gz SLHQIAVTDHHKJT-ZJUUUORDSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@@H+]1C ZINC000093643901 176371717 /nfs/dbraw/zinc/37/17/17/176371717.db2.gz LPPBJCQMRIVJIA-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@H+]1C ZINC000093643901 176371718 /nfs/dbraw/zinc/37/17/18/176371718.db2.gz LPPBJCQMRIVJIA-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643901 176371719 /nfs/dbraw/zinc/37/17/19/176371719.db2.gz LPPBJCQMRIVJIA-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643901 176371720 /nfs/dbraw/zinc/37/17/20/176371720.db2.gz LPPBJCQMRIVJIA-MNOVXSKESA-N 2 2 239.388 2.058 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000093643687 176371969 /nfs/dbraw/zinc/37/19/69/176371969.db2.gz RAEVLCSDKRRREY-NEPJUHHUSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000093643687 176371972 /nfs/dbraw/zinc/37/19/72/176371972.db2.gz RAEVLCSDKRRREY-NEPJUHHUSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643687 176371974 /nfs/dbraw/zinc/37/19/74/176371974.db2.gz RAEVLCSDKRRREY-NEPJUHHUSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643687 176371975 /nfs/dbraw/zinc/37/19/75/176371975.db2.gz RAEVLCSDKRRREY-NEPJUHHUSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@@H]1C ZINC000336700428 176375816 /nfs/dbraw/zinc/37/58/16/176375816.db2.gz PIEMSMFBPADAIQ-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](c1cccs1)[N@H+](C)CC(C)(C)[NH3+] ZINC000049717083 177048495 /nfs/dbraw/zinc/04/84/95/177048495.db2.gz JZGNRNLMUPEWQE-SECBINFHSA-N 2 2 212.362 2.478 20 0 BEADLP C[C@H](c1cccs1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000049717083 177048496 /nfs/dbraw/zinc/04/84/96/177048496.db2.gz JZGNRNLMUPEWQE-SECBINFHSA-N 2 2 212.362 2.478 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000340186410 177075709 /nfs/dbraw/zinc/07/57/09/177075709.db2.gz XMYIIPLJETYOFH-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000340186410 177075711 /nfs/dbraw/zinc/07/57/11/177075711.db2.gz XMYIIPLJETYOFH-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000020125698 177082878 /nfs/dbraw/zinc/08/28/78/177082878.db2.gz ORPTVEVWAITWKA-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000020125700 177088405 /nfs/dbraw/zinc/08/84/05/177088405.db2.gz ORPTVEVWAITWKA-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000034937287 177088715 /nfs/dbraw/zinc/08/87/15/177088715.db2.gz YLNWYYNARWDHMV-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000130777517 177100683 /nfs/dbraw/zinc/10/06/83/177100683.db2.gz QMIAIXQXJGYEHE-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000130777517 177100685 /nfs/dbraw/zinc/10/06/85/177100685.db2.gz QMIAIXQXJGYEHE-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000336778291 177117285 /nfs/dbraw/zinc/11/72/85/177117285.db2.gz KZAGZTDZPPYBSR-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000336778291 177117287 /nfs/dbraw/zinc/11/72/87/177117287.db2.gz KZAGZTDZPPYBSR-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000336777608 177118793 /nfs/dbraw/zinc/11/87/93/177118793.db2.gz IZBDOKUIKQCSQA-ITGHMWBKSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000336777608 177118795 /nfs/dbraw/zinc/11/87/95/177118795.db2.gz IZBDOKUIKQCSQA-ITGHMWBKSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000020126763 177123222 /nfs/dbraw/zinc/12/32/22/177123222.db2.gz MXLRXCJSLGRAOX-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@H+](CC2CCCCC2)CC[NH2+]1 ZINC000049661968 177159286 /nfs/dbraw/zinc/15/92/86/177159286.db2.gz RYQCUNZNUNLANY-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CC2CCCCC2)CC[NH2+]1 ZINC000049661968 177159288 /nfs/dbraw/zinc/15/92/88/177159288.db2.gz RYQCUNZNUNLANY-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)CCS1 ZINC000192187849 177159872 /nfs/dbraw/zinc/15/98/72/177159872.db2.gz BJNKBAHQFXFTIJ-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)CCS1 ZINC000192187849 177159874 /nfs/dbraw/zinc/15/98/74/177159874.db2.gz BJNKBAHQFXFTIJ-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948511 177192580 /nfs/dbraw/zinc/19/25/80/177192580.db2.gz NKUFQLCTEDVQFS-SWLSCSKDSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000062948511 177192581 /nfs/dbraw/zinc/19/25/81/177192581.db2.gz NKUFQLCTEDVQFS-SWLSCSKDSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCCCCC1 ZINC000335604160 177237098 /nfs/dbraw/zinc/23/70/98/177237098.db2.gz TVUDFKIBHASMEC-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCCCCC1 ZINC000335604160 177237099 /nfs/dbraw/zinc/23/70/99/177237099.db2.gz TVUDFKIBHASMEC-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000309463832 177239110 /nfs/dbraw/zinc/23/91/10/177239110.db2.gz PKHMNMBGTGCGIY-PEBLQZBPSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000309463832 177239112 /nfs/dbraw/zinc/23/91/12/177239112.db2.gz PKHMNMBGTGCGIY-PEBLQZBPSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783310 177318444 /nfs/dbraw/zinc/31/84/44/177318444.db2.gz NLHWNDFAPVPTEC-XHJNMGKDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309783310 177318445 /nfs/dbraw/zinc/31/84/45/177318445.db2.gz NLHWNDFAPVPTEC-XHJNMGKDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000049714434 177326635 /nfs/dbraw/zinc/32/66/35/177326635.db2.gz IQUMHWKCVVIFHI-ONGXEEELSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000049714434 177326637 /nfs/dbraw/zinc/32/66/37/177326637.db2.gz IQUMHWKCVVIFHI-ONGXEEELSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1C ZINC000355882792 177327296 /nfs/dbraw/zinc/32/72/96/177327296.db2.gz SLHQIAVTDHHKJT-UWVGGRQHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1C ZINC000355882792 177327298 /nfs/dbraw/zinc/32/72/98/177327298.db2.gz SLHQIAVTDHHKJT-UWVGGRQHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882792 177327300 /nfs/dbraw/zinc/32/73/00/177327300.db2.gz SLHQIAVTDHHKJT-UWVGGRQHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882792 177327302 /nfs/dbraw/zinc/32/73/02/177327302.db2.gz SLHQIAVTDHHKJT-UWVGGRQHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000227605734 177356780 /nfs/dbraw/zinc/35/67/80/177356780.db2.gz GNCMUZWSUWGTTG-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000122288052 177370132 /nfs/dbraw/zinc/37/01/32/177370132.db2.gz DUMZGPYCAWQWBO-JSGCOSHPSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@H+]1C1CC1 ZINC000122288052 177370134 /nfs/dbraw/zinc/37/01/34/177370134.db2.gz DUMZGPYCAWQWBO-JSGCOSHPSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2CCn2cc[nH+]c2)C[C@@H]1C ZINC000295070668 177391174 /nfs/dbraw/zinc/39/11/74/177391174.db2.gz CLNDHTDOYMPJSP-NWDGAFQWSA-N 2 2 244.342 2.151 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000229598252 177395279 /nfs/dbraw/zinc/39/52/79/177395279.db2.gz COKMHTDLHSXERR-MNOVXSKESA-N 2 2 244.342 2.126 20 0 BEADLP Cc1ccsc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000087309930 487640059 /nfs/dbraw/zinc/64/00/59/487640059.db2.gz KHTLCLQOTISRIW-LLVKDONJSA-N 2 2 224.373 2.288 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494389315 226264467 /nfs/dbraw/zinc/26/44/67/226264467.db2.gz CBDOZOKVLLDRMV-UPJWGTAASA-N 2 2 233.359 2.366 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400551487 226346220 /nfs/dbraw/zinc/34/62/20/226346220.db2.gz XQDPTGLIZZSVNV-HIFRSBDPSA-N 2 2 248.370 2.104 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400698301 226349480 /nfs/dbraw/zinc/34/94/80/226349480.db2.gz BJDCPAXWYXNAND-DYEKYZERSA-N 2 2 248.370 2.486 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400698298 226349732 /nfs/dbraw/zinc/34/97/32/226349732.db2.gz BJDCPAXWYXNAND-BZPMIXESSA-N 2 2 248.370 2.486 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)C1 ZINC000328309834 487654679 /nfs/dbraw/zinc/65/46/79/487654679.db2.gz BICWNGZKIMJOSU-AGIUHOORSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)C1 ZINC000328309834 487654680 /nfs/dbraw/zinc/65/46/80/487654680.db2.gz BICWNGZKIMJOSU-AGIUHOORSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1([NH+](C)C)CC1 ZINC000397773484 262745777 /nfs/dbraw/zinc/74/57/77/262745777.db2.gz MOXOORWFQQWDFZ-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCCC[C@@]1(C)[NH2+]CCn1cc[nH+]c1 ZINC000308693502 229239463 /nfs/dbraw/zinc/23/94/63/229239463.db2.gz JNFVJPWGKQOQPR-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672151 262870189 /nfs/dbraw/zinc/87/01/89/262870189.db2.gz CNSVTGWQRUFJND-VMICZAGFSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672151 262870190 /nfs/dbraw/zinc/87/01/90/262870190.db2.gz CNSVTGWQRUFJND-VMICZAGFSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC12CC2 ZINC000527842491 262888498 /nfs/dbraw/zinc/88/84/98/262888498.db2.gz KIAMTKAFEXANOX-WDEREUQCSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000328523539 487704660 /nfs/dbraw/zinc/70/46/60/487704660.db2.gz SKMHKHDBHHXOOT-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 ZINC000328523539 487704665 /nfs/dbraw/zinc/70/46/65/487704665.db2.gz SKMHKHDBHHXOOT-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000233788954 487742680 /nfs/dbraw/zinc/74/26/80/487742680.db2.gz ZFDPGQSJQBTEFA-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP c1coc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235555 487765059 /nfs/dbraw/zinc/76/50/59/487765059.db2.gz VWLGAMBRKWFUIM-GFCCVEGCSA-N 2 2 231.299 2.313 20 0 BEADLP c1coc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235555 487765062 /nfs/dbraw/zinc/76/50/62/487765062.db2.gz VWLGAMBRKWFUIM-GFCCVEGCSA-N 2 2 231.299 2.313 20 0 BEADLP Cn1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234605 487765077 /nfs/dbraw/zinc/76/50/77/487765077.db2.gz HAXJREFBDUDJAU-CQSZACIVSA-N 2 2 244.342 2.059 20 0 BEADLP Cn1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234605 487765081 /nfs/dbraw/zinc/76/50/81/487765081.db2.gz HAXJREFBDUDJAU-CQSZACIVSA-N 2 2 244.342 2.059 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1F ZINC000414950787 487774430 /nfs/dbraw/zinc/77/44/30/487774430.db2.gz IAOSCCIUIHQJLL-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459395 487783249 /nfs/dbraw/zinc/78/32/49/487783249.db2.gz UBWLYTJVGLQRJB-IJLUTSLNSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459395 487783253 /nfs/dbraw/zinc/78/32/53/487783253.db2.gz UBWLYTJVGLQRJB-IJLUTSLNSA-N 2 2 242.432 2.200 20 0 BEADLP Cc1ccc(C[N@H+](C)CCC[NH3+])c(Cl)c1 ZINC000234289608 487792977 /nfs/dbraw/zinc/79/29/77/487792977.db2.gz FLXNOWZGJXZOTG-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCC[NH3+])c(Cl)c1 ZINC000234289608 487792986 /nfs/dbraw/zinc/79/29/86/487792986.db2.gz FLXNOWZGJXZOTG-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP C[C@H]1CCC[N@H+](CCOc2ccccc2)[C@H]1C[NH3+] ZINC000252129046 487817280 /nfs/dbraw/zinc/81/72/80/487817280.db2.gz KMILFZGGMNSGDK-ZFWWWQNUSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H]1CCC[N@@H+](CCOc2ccccc2)[C@H]1C[NH3+] ZINC000252129046 487817284 /nfs/dbraw/zinc/81/72/84/487817284.db2.gz KMILFZGGMNSGDK-ZFWWWQNUSA-N 2 2 248.370 2.125 20 0 BEADLP [NH3+]CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000415093986 487837250 /nfs/dbraw/zinc/83/72/50/487837250.db2.gz DBQSFRKIKFWTMN-CYBMUJFWSA-N 2 2 244.342 2.049 20 0 BEADLP [NH3+]CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000415093986 487837255 /nfs/dbraw/zinc/83/72/55/487837255.db2.gz DBQSFRKIKFWTMN-CYBMUJFWSA-N 2 2 244.342 2.049 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)n1C ZINC000668098899 487837931 /nfs/dbraw/zinc/83/79/31/487837931.db2.gz UWEZAURBVGUQDR-SNVBAGLBSA-N 2 2 219.332 2.127 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC(C)=C[C@@H](C)C2)n1C ZINC000668098899 487837933 /nfs/dbraw/zinc/83/79/33/487837933.db2.gz UWEZAURBVGUQDR-SNVBAGLBSA-N 2 2 219.332 2.127 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000666783198 487858065 /nfs/dbraw/zinc/85/80/65/487858065.db2.gz ANKFMDLAGZXNGH-CQSZACIVSA-N 2 2 230.355 2.406 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690815 487874879 /nfs/dbraw/zinc/87/48/79/487874879.db2.gz UXWYURDYSVOERF-LBPRGKRZSA-N 2 2 239.338 2.034 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690815 487874890 /nfs/dbraw/zinc/87/48/90/487874890.db2.gz UXWYURDYSVOERF-LBPRGKRZSA-N 2 2 239.338 2.034 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768253 487875474 /nfs/dbraw/zinc/87/54/74/487875474.db2.gz FGNWUIZMABVKNB-RZIFZGNASA-N 2 2 230.355 2.432 20 0 BEADLP COCCC[N@H+](C)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000670267787 487875723 /nfs/dbraw/zinc/87/57/23/487875723.db2.gz UFURNSJWAQZDPK-CYBMUJFWSA-N 2 2 244.423 2.227 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000670267787 487875727 /nfs/dbraw/zinc/87/57/27/487875727.db2.gz UFURNSJWAQZDPK-CYBMUJFWSA-N 2 2 244.423 2.227 20 0 BEADLP Fc1cc(F)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666768209 487875853 /nfs/dbraw/zinc/87/58/53/487875853.db2.gz BTROBRFXGREKSA-ZDUSSCGKSA-N 2 2 240.297 2.197 20 0 BEADLP c1cc2cnccc2c(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000666814195 487884388 /nfs/dbraw/zinc/88/43/88/487884388.db2.gz XZSBFELPCLGTIW-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000234953692 487896735 /nfs/dbraw/zinc/89/67/35/487896735.db2.gz FFWREHKODFHFLA-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[N@@H+](Cc1ccccc1Cl)CC1C[NH+](C)C1 ZINC000668537212 487901382 /nfs/dbraw/zinc/90/13/82/487901382.db2.gz AUPPEZDCRWOHIX-UHFFFAOYSA-N 2 2 238.762 2.333 20 0 BEADLP C[N@H+](Cc1ccccc1Cl)CC1C[NH+](C)C1 ZINC000668537212 487901385 /nfs/dbraw/zinc/90/13/85/487901385.db2.gz AUPPEZDCRWOHIX-UHFFFAOYSA-N 2 2 238.762 2.333 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000235014470 487902293 /nfs/dbraw/zinc/90/22/93/487902293.db2.gz DEIMLDYIZGMSLI-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP CCc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668538265 487903219 /nfs/dbraw/zinc/90/32/19/487903219.db2.gz YHWCNNOUWNGISA-UHFFFAOYSA-N 2 2 232.371 2.242 20 0 BEADLP CCc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668538265 487903225 /nfs/dbraw/zinc/90/32/25/487903225.db2.gz YHWCNNOUWNGISA-UHFFFAOYSA-N 2 2 232.371 2.242 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945393 487909669 /nfs/dbraw/zinc/90/96/69/487909669.db2.gz NMTOKUHXBVHCHY-STQMWFEESA-N 2 2 236.334 2.093 20 0 BEADLP Cc1cc(NC(C)(C)CCC[NH+](C)C)nc[nH+]1 ZINC000387214729 487912404 /nfs/dbraw/zinc/91/24/04/487912404.db2.gz QYWAVXLNOVPLAC-UHFFFAOYSA-N 2 2 236.363 2.317 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652363291 487932730 /nfs/dbraw/zinc/93/27/30/487932730.db2.gz ACBPZOJQYCIBOG-GHMZBOCLSA-N 2 2 236.334 2.135 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000652363291 487932732 /nfs/dbraw/zinc/93/27/32/487932732.db2.gz ACBPZOJQYCIBOG-GHMZBOCLSA-N 2 2 236.334 2.135 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccon1 ZINC000566617241 323007289 /nfs/dbraw/zinc/00/72/89/323007289.db2.gz LUISTBWKJBWCOM-NSHDSACASA-N 2 2 231.299 2.271 20 0 BEADLP CC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000562340742 323017036 /nfs/dbraw/zinc/01/70/36/323017036.db2.gz IYFXMBRLGFDUTI-NSHDSACASA-N 2 2 219.332 2.389 20 0 BEADLP CC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000562340742 323017037 /nfs/dbraw/zinc/01/70/37/323017037.db2.gz IYFXMBRLGFDUTI-NSHDSACASA-N 2 2 219.332 2.389 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000562955705 323034798 /nfs/dbraw/zinc/03/47/98/323034798.db2.gz IYZAOBBQEJQYGI-OLZOCXBDSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc(C)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000570528017 323062535 /nfs/dbraw/zinc/06/25/35/323062535.db2.gz YTKMYJFOGIZZHW-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H]2C)n1C ZINC000570699480 323067951 /nfs/dbraw/zinc/06/79/51/323067951.db2.gz ZTIPGSDXTWTBDI-SKDRFNHKSA-N 2 2 207.321 2.007 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)[C@@H]1C ZINC000570775942 323069902 /nfs/dbraw/zinc/06/99/02/323069902.db2.gz NZASTMZPOYDQIK-NQBHXWOUSA-N 2 2 233.359 2.354 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2F)n1C ZINC000563440225 323125747 /nfs/dbraw/zinc/12/57/47/323125747.db2.gz JSVPGRFEWYLOET-VXGBXAGGSA-N 2 2 225.311 2.099 20 0 BEADLP COc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000563439619 323125841 /nfs/dbraw/zinc/12/58/41/323125841.db2.gz GTDSHICWXMKSTO-UHFFFAOYSA-N 2 2 245.326 2.027 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000310026995 323127411 /nfs/dbraw/zinc/12/74/11/323127411.db2.gz PVFHIYOIFYEVQW-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000310026995 323127412 /nfs/dbraw/zinc/12/74/12/323127412.db2.gz PVFHIYOIFYEVQW-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000571413646 323143975 /nfs/dbraw/zinc/14/39/75/323143975.db2.gz CQJLRXPDWJUKFV-SECBINFHSA-N 2 2 247.264 2.162 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000571413646 323143976 /nfs/dbraw/zinc/14/39/76/323143976.db2.gz CQJLRXPDWJUKFV-SECBINFHSA-N 2 2 247.264 2.162 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1(C)CC1 ZINC000308796393 323178261 /nfs/dbraw/zinc/17/82/61/323178261.db2.gz JFMMGZOVXXBKID-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000308962125 323182619 /nfs/dbraw/zinc/18/26/19/323182619.db2.gz SEIROYJHUDJUIR-QWRGUYRKSA-N 2 2 226.389 2.219 20 0 BEADLP Cc1cccc(C[NH2+]CCn2cc[nH+]c2)c1F ZINC000395024175 323185262 /nfs/dbraw/zinc/18/52/62/323185262.db2.gz FERHPHQVRBBYCO-UHFFFAOYSA-N 2 2 233.290 2.120 20 0 BEADLP Cc1ccncc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395091941 323186963 /nfs/dbraw/zinc/18/69/63/323186963.db2.gz VFAIHQFWQRTACP-GXTWGEPZSA-N 2 2 233.359 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000535658820 323187697 /nfs/dbraw/zinc/18/76/97/323187697.db2.gz PBHJHVRIOLQJAS-CYBMUJFWSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000535658820 323187698 /nfs/dbraw/zinc/18/76/98/323187698.db2.gz PBHJHVRIOLQJAS-CYBMUJFWSA-N 2 2 233.359 2.400 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)o1 ZINC000051724957 323190812 /nfs/dbraw/zinc/19/08/12/323190812.db2.gz NLYRHVPBKINLCC-GFCCVEGCSA-N 2 2 236.359 2.273 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000051724957 323190813 /nfs/dbraw/zinc/19/08/13/323190813.db2.gz NLYRHVPBKINLCC-GFCCVEGCSA-N 2 2 236.359 2.273 20 0 BEADLP CC(C)(C)OCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000536706700 323201600 /nfs/dbraw/zinc/20/16/00/323201600.db2.gz RNUKXNBBYAAOGX-UHFFFAOYSA-N 2 2 247.342 2.239 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1(C)CC1 ZINC000309110280 323318043 /nfs/dbraw/zinc/31/80/43/323318043.db2.gz JKNXUFOIYDXAHX-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1(C)CC1 ZINC000309110280 323318048 /nfs/dbraw/zinc/31/80/48/323318048.db2.gz JKNXUFOIYDXAHX-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC1 ZINC000309115513 323319347 /nfs/dbraw/zinc/31/93/47/323319347.db2.gz LJGZXVWUKJLAAQ-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC1 ZINC000309115513 323319343 /nfs/dbraw/zinc/31/93/43/323319343.db2.gz LJGZXVWUKJLAAQ-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC000309217578 323329464 /nfs/dbraw/zinc/32/94/64/323329464.db2.gz UOWZJTVYBWPFGS-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)C ZINC000309217578 323329467 /nfs/dbraw/zinc/32/94/67/323329467.db2.gz UOWZJTVYBWPFGS-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321341863 323380634 /nfs/dbraw/zinc/38/06/34/323380634.db2.gz BMXOJSYYQCZMAQ-DGAVXFQQSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000515830317 324115882 /nfs/dbraw/zinc/11/58/82/324115882.db2.gz XJOWEOKVGSXGFO-UTUOFQBUSA-N 2 2 236.359 2.390 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000548791585 324242081 /nfs/dbraw/zinc/24/20/81/324242081.db2.gz ADTITGRQPUQEOD-LXTVHRRPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000548791585 324242086 /nfs/dbraw/zinc/24/20/86/324242086.db2.gz ADTITGRQPUQEOD-LXTVHRRPSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537305 324330110 /nfs/dbraw/zinc/33/01/10/324330110.db2.gz VHPTXERDKSEGOZ-CMPLNLGQSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529537305 324330112 /nfs/dbraw/zinc/33/01/12/324330112.db2.gz VHPTXERDKSEGOZ-CMPLNLGQSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000061984797 324390402 /nfs/dbraw/zinc/39/04/02/324390402.db2.gz RQXHRBHGMZQUAI-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000061984797 324390407 /nfs/dbraw/zinc/39/04/07/324390407.db2.gz RQXHRBHGMZQUAI-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000130079885 325010593 /nfs/dbraw/zinc/01/05/93/325010593.db2.gz QWLHOFMKXYBXAW-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000070717618 325025915 /nfs/dbraw/zinc/02/59/15/325025915.db2.gz VQJQQTZEXOLNCT-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000070717618 325025920 /nfs/dbraw/zinc/02/59/20/325025920.db2.gz VQJQQTZEXOLNCT-QWRGUYRKSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@H](C1CC1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000130674717 325079229 /nfs/dbraw/zinc/07/92/29/325079229.db2.gz OOKVNFRJPQSNTH-LLVKDONJSA-N 2 2 219.332 2.146 20 0 BEADLP C[C@H](C1CC1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000130674717 325079232 /nfs/dbraw/zinc/07/92/32/325079232.db2.gz OOKVNFRJPQSNTH-LLVKDONJSA-N 2 2 219.332 2.146 20 0 BEADLP C[C@@H](C[NH2+]C(C1CC1)C1CC1)[N@H+](C)C1CC1 ZINC000130809854 325090922 /nfs/dbraw/zinc/09/09/22/325090922.db2.gz KXNRIKDOHVNTRA-JTQLQIEISA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131374216 325143348 /nfs/dbraw/zinc/14/33/48/325143348.db2.gz FXIUGXSXVKWEKR-CYBMUJFWSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000131374216 325143354 /nfs/dbraw/zinc/14/33/54/325143354.db2.gz FXIUGXSXVKWEKR-CYBMUJFWSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@]1(C)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131523627 325161323 /nfs/dbraw/zinc/16/13/23/325161323.db2.gz BCMGEOOWWRCEAW-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@@]1(C)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131523627 325161325 /nfs/dbraw/zinc/16/13/25/325161325.db2.gz BCMGEOOWWRCEAW-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CC(C)[NH+](CCCNCc1[nH]cc[nH+]1)C(C)C ZINC000072742799 325170980 /nfs/dbraw/zinc/17/09/80/325170980.db2.gz WHDQOEATFWJKPB-UHFFFAOYSA-N 2 2 238.379 2.008 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000132054830 325196833 /nfs/dbraw/zinc/19/68/33/325196833.db2.gz PNHBREUMCSUHOL-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccncc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000135457857 325413179 /nfs/dbraw/zinc/41/31/79/325413179.db2.gz YDBZRUBVNFYNDN-UHFFFAOYSA-N 2 2 244.342 2.157 20 0 BEADLP CC(C)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480273 326055329 /nfs/dbraw/zinc/05/53/29/326055329.db2.gz LPAMYASZZKHJQF-UHFFFAOYSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480273 326055332 /nfs/dbraw/zinc/05/53/32/326055332.db2.gz LPAMYASZZKHJQF-UHFFFAOYSA-N 2 2 210.365 2.236 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000153952694 326122321 /nfs/dbraw/zinc/12/23/21/326122321.db2.gz KMLHEAGEXXJJCD-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000153952694 326122323 /nfs/dbraw/zinc/12/23/23/326122323.db2.gz KMLHEAGEXXJJCD-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000153952694 326122325 /nfs/dbraw/zinc/12/23/25/326122325.db2.gz KMLHEAGEXXJJCD-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cn1 ZINC000153952694 326122326 /nfs/dbraw/zinc/12/23/26/326122326.db2.gz KMLHEAGEXXJJCD-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP CCc1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000567248402 326150171 /nfs/dbraw/zinc/15/01/71/326150171.db2.gz CLEOHZYQXJYFSX-UHFFFAOYSA-N 2 2 222.332 2.027 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1 ZINC000155788089 326211891 /nfs/dbraw/zinc/21/18/91/326211891.db2.gz SNTVJIIYNAFVBR-ZDUSSCGKSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1 ZINC000155788089 326211894 /nfs/dbraw/zinc/21/18/94/326211894.db2.gz SNTVJIIYNAFVBR-ZDUSSCGKSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CC1 ZINC000155788198 326212111 /nfs/dbraw/zinc/21/21/11/326212111.db2.gz SNTVJIIYNAFVBR-CYBMUJFWSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CC1 ZINC000155788198 326212114 /nfs/dbraw/zinc/21/21/14/326212114.db2.gz SNTVJIIYNAFVBR-CYBMUJFWSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cn1 ZINC000157825946 326297485 /nfs/dbraw/zinc/29/74/85/326297485.db2.gz UYINYJQKCBHWHQ-UHFFFAOYSA-N 2 2 244.342 2.157 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]CC[NH+]1CCCC1 ZINC000166442766 326432949 /nfs/dbraw/zinc/43/29/49/326432949.db2.gz NRJVHBRTJRTLSW-LBPRGKRZSA-N 2 2 238.400 2.365 20 0 BEADLP CC[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072327 487987173 /nfs/dbraw/zinc/98/71/73/487987173.db2.gz JALCVJISSYYBHZ-NEPJUHHUSA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072327 487987176 /nfs/dbraw/zinc/98/71/76/487987176.db2.gz JALCVJISSYYBHZ-NEPJUHHUSA-N 2 2 207.321 2.319 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)[NH+](C)C ZINC000159073359 487991452 /nfs/dbraw/zinc/99/14/52/487991452.db2.gz ZVDPQKLPBMJKQP-QWHCGFSZSA-N 2 2 248.370 2.092 20 0 BEADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667472332 488019286 /nfs/dbraw/zinc/01/92/86/488019286.db2.gz CUNJWJHHUMMJRO-VXGBXAGGSA-N 2 2 233.359 2.307 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C2CCCC2)n1C ZINC000667491806 488025160 /nfs/dbraw/zinc/02/51/60/488025160.db2.gz IHXBTLAAYHCHCH-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP Cc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000235892835 488028207 /nfs/dbraw/zinc/02/82/07/488028207.db2.gz LBXRKHHEGVWKTC-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)O1 ZINC000682758496 488029495 /nfs/dbraw/zinc/02/94/95/488029495.db2.gz DDXMDOMMNQQWQT-HZSPNIEDSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)O1 ZINC000682758496 488029498 /nfs/dbraw/zinc/02/94/98/488029498.db2.gz DDXMDOMMNQQWQT-HZSPNIEDSA-N 2 2 249.358 2.088 20 0 BEADLP CC[N@H+](Cc1c[nH+]c(C)n1C)C1CCCC1 ZINC000667503224 488031676 /nfs/dbraw/zinc/03/16/76/488031676.db2.gz DVBCHAJCFOYQLS-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CCCC1 ZINC000667503224 488031683 /nfs/dbraw/zinc/03/16/83/488031683.db2.gz DVBCHAJCFOYQLS-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(C)C)n1C ZINC000667502878 488031512 /nfs/dbraw/zinc/03/15/12/488031512.db2.gz RNWLLTIMTKUVNU-CYBMUJFWSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(C)C)n1C ZINC000667502878 488031519 /nfs/dbraw/zinc/03/15/19/488031519.db2.gz RNWLLTIMTKUVNU-CYBMUJFWSA-N 2 2 221.348 2.349 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667561174 488046885 /nfs/dbraw/zinc/04/68/85/488046885.db2.gz NVAVRDAKBYIOCK-GFCCVEGCSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667561174 488046889 /nfs/dbraw/zinc/04/68/89/488046889.db2.gz NVAVRDAKBYIOCK-GFCCVEGCSA-N 2 2 233.359 2.451 20 0 BEADLP Fc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1F ZINC000236188126 488050092 /nfs/dbraw/zinc/05/00/92/488050092.db2.gz JLQRIXUWIFASAC-LLVKDONJSA-N 2 2 240.297 2.197 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccn2)CC1(C)C ZINC000084519279 488056956 /nfs/dbraw/zinc/05/69/56/488056956.db2.gz FXNAWHPZCGDJFC-GFCCVEGCSA-N 2 2 233.359 2.044 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccn2)CC1(C)C ZINC000084519279 488056959 /nfs/dbraw/zinc/05/69/59/488056959.db2.gz FXNAWHPZCGDJFC-GFCCVEGCSA-N 2 2 233.359 2.044 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000667649178 488070952 /nfs/dbraw/zinc/07/09/52/488070952.db2.gz KWVTZFPKIQXMNX-VXGBXAGGSA-N 2 2 233.359 2.307 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000667649178 488070955 /nfs/dbraw/zinc/07/09/55/488070955.db2.gz KWVTZFPKIQXMNX-VXGBXAGGSA-N 2 2 233.359 2.307 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)n1C ZINC000667649647 488072511 /nfs/dbraw/zinc/07/25/11/488072511.db2.gz ZPDPZCTXZTZVPH-QWRGUYRKSA-N 2 2 221.348 2.206 20 0 BEADLP C[C@@H]1C[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667664537 488079680 /nfs/dbraw/zinc/07/96/80/488079680.db2.gz NLPVPLZAWZTGIK-MNOVXSKESA-N 2 2 219.332 2.060 20 0 BEADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667664537 488079686 /nfs/dbraw/zinc/07/96/86/488079686.db2.gz NLPVPLZAWZTGIK-MNOVXSKESA-N 2 2 219.332 2.060 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)C2(C)CC2)n1C ZINC000667695752 488087742 /nfs/dbraw/zinc/08/77/42/488087742.db2.gz APYXNFYSLSNNLK-SNVBAGLBSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)C2(C)CC2)n1C ZINC000667695752 488087749 /nfs/dbraw/zinc/08/77/49/488087749.db2.gz APYXNFYSLSNNLK-SNVBAGLBSA-N 2 2 221.348 2.349 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000389490630 488098684 /nfs/dbraw/zinc/09/86/84/488098684.db2.gz ZNCBVQFFPPMQAS-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000389490630 488098689 /nfs/dbraw/zinc/09/86/89/488098689.db2.gz ZNCBVQFFPPMQAS-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683108801 488106518 /nfs/dbraw/zinc/10/65/18/488106518.db2.gz DMPRDCJVKGCMHY-JHJVBQTASA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683108801 488106521 /nfs/dbraw/zinc/10/65/21/488106521.db2.gz DMPRDCJVKGCMHY-JHJVBQTASA-N 2 2 219.332 2.176 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000683107355 488108865 /nfs/dbraw/zinc/10/88/65/488108865.db2.gz KTFCVYCZDQXMFB-SHARSMKWSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000683107355 488108868 /nfs/dbraw/zinc/10/88/68/488108868.db2.gz KTFCVYCZDQXMFB-SHARSMKWSA-N 2 2 236.403 2.495 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000162089430 488118719 /nfs/dbraw/zinc/11/87/19/488118719.db2.gz PTOANIZBFFXOFV-LBPRGKRZSA-N 2 2 206.333 2.001 20 0 BEADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000086727496 487537564 /nfs/dbraw/zinc/53/75/64/487537564.db2.gz UOQMQZCDYMTAQO-OLZOCXBDSA-N 2 2 218.344 2.316 20 0 BEADLP COc1ccc(C)cc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000258773114 488133772 /nfs/dbraw/zinc/13/37/72/488133772.db2.gz IAMILLQHXKUSMX-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP COc1ccc(C)cc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000258773114 488133773 /nfs/dbraw/zinc/13/37/73/488133773.db2.gz IAMILLQHXKUSMX-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP CCc1ccc(C[NH2+][C@H](C)C[NH2+]C)s1 ZINC000162113853 487539135 /nfs/dbraw/zinc/53/91/35/487539135.db2.gz YFAXEOCEKNNATD-SECBINFHSA-N 2 2 212.362 2.008 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382111740 487531508 /nfs/dbraw/zinc/53/15/08/487531508.db2.gz KRPSYXSZWCOBNW-RFGFWPKPSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382111740 487531512 /nfs/dbraw/zinc/53/15/12/487531512.db2.gz KRPSYXSZWCOBNW-RFGFWPKPSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)C[C@H]2C)n1C ZINC000668240543 487532156 /nfs/dbraw/zinc/53/21/56/487532156.db2.gz LKADGZAOLJQBTD-SNVBAGLBSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)C[C@H]2C)n1C ZINC000668240543 487532160 /nfs/dbraw/zinc/53/21/60/487532160.db2.gz LKADGZAOLJQBTD-SNVBAGLBSA-N 2 2 221.348 2.349 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H](C3CCC3)C1)CCC2 ZINC000668241161 487532918 /nfs/dbraw/zinc/53/29/18/487532918.db2.gz CUYPKQBYLVTSQG-CYBMUJFWSA-N 2 2 245.370 2.451 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H](C3CCC3)C1)CCC2 ZINC000668241161 487532921 /nfs/dbraw/zinc/53/29/21/487532921.db2.gz CUYPKQBYLVTSQG-CYBMUJFWSA-N 2 2 245.370 2.451 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc(C)c1C ZINC000231818905 487477008 /nfs/dbraw/zinc/47/70/08/487477008.db2.gz RROXPRWZRFFDRA-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc(C)c1C ZINC000231818905 487477012 /nfs/dbraw/zinc/47/70/12/487477012.db2.gz RROXPRWZRFFDRA-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC(CC(F)(F)F)C2)n1C ZINC000668232435 487501162 /nfs/dbraw/zinc/50/11/62/487501162.db2.gz QTEDABNCRFVLNK-UHFFFAOYSA-N 2 2 247.264 2.113 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000304482144 487506579 /nfs/dbraw/zinc/50/65/79/487506579.db2.gz BCRKPFSQKWTZCY-FRRDWIJNSA-N 2 2 222.376 2.249 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094080437 487512050 /nfs/dbraw/zinc/51/20/50/487512050.db2.gz GHOSCVHLOQFEPG-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP CC(C)(C)C1C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668234878 487509690 /nfs/dbraw/zinc/50/96/90/487509690.db2.gz XUSAYVXVCHPHMY-UHFFFAOYSA-N 2 2 233.359 2.307 20 0 BEADLP CC[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@@H]1[NH3+] ZINC000662271560 487517610 /nfs/dbraw/zinc/51/76/10/487517610.db2.gz WSECGJPWMXCVJE-GWCFXTLKSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@@H]1[NH3+] ZINC000662271560 487517614 /nfs/dbraw/zinc/51/76/14/487517614.db2.gz WSECGJPWMXCVJE-GWCFXTLKSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]1CC[C@@]2(CC[N@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517982 487520868 /nfs/dbraw/zinc/52/08/68/487520868.db2.gz NTDNPIRXEMTCEY-UKRRQHHQSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@@H]1CC[C@@]2(CC[N@@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000334517982 487520873 /nfs/dbraw/zinc/52/08/73/487520873.db2.gz NTDNPIRXEMTCEY-UKRRQHHQSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2cnccc21 ZINC000666720187 487865072 /nfs/dbraw/zinc/86/50/72/487865072.db2.gz YYNUNEFRDSDCFY-IAQYHMDHSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2cnccc21 ZINC000666720187 487865076 /nfs/dbraw/zinc/86/50/76/487865076.db2.gz YYNUNEFRDSDCFY-IAQYHMDHSA-N 2 2 241.338 2.156 20 0 BEADLP CC1(C)CCC[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666945287 487908774 /nfs/dbraw/zinc/90/87/74/487908774.db2.gz INRTTYRFFIDCAZ-AVGNSLFASA-N 2 2 242.382 2.492 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434249 488096280 /nfs/dbraw/zinc/09/62/80/488096280.db2.gz ZKVZSAFQNLLGAM-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389434249 488096287 /nfs/dbraw/zinc/09/62/87/488096287.db2.gz ZKVZSAFQNLLGAM-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP c1ccc2[nH+]c(N[C@H]3CC[N@@H+](C4CC4)C3)[nH]c2c1 ZINC000044725693 488110779 /nfs/dbraw/zinc/11/07/79/488110779.db2.gz FWBRXNRKFUDIDO-JTQLQIEISA-N 2 2 242.326 2.212 20 0 BEADLP c1ccc2[nH+]c(N[C@H]3CC[N@H+](C4CC4)C3)[nH]c2c1 ZINC000044725693 488110782 /nfs/dbraw/zinc/11/07/82/488110782.db2.gz FWBRXNRKFUDIDO-JTQLQIEISA-N 2 2 242.326 2.212 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1F ZINC000258866212 488140294 /nfs/dbraw/zinc/14/02/94/488140294.db2.gz JFFIGIXUWQIGNI-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccccn2)n1C ZINC000667948672 488165833 /nfs/dbraw/zinc/16/58/33/488165833.db2.gz IYFGGTSWHGIBQV-LLVKDONJSA-N 2 2 244.342 2.317 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccccn2)n1C ZINC000667948672 488165836 /nfs/dbraw/zinc/16/58/36/488165836.db2.gz IYFGGTSWHGIBQV-LLVKDONJSA-N 2 2 244.342 2.317 20 0 BEADLP C[C@H](C[NH2+]CC1([NH+](C)C)CC1)C(C)(C)C ZINC000397912741 488170561 /nfs/dbraw/zinc/17/05/61/488170561.db2.gz BQFJYQSLEHVCSL-LLVKDONJSA-N 2 2 212.381 2.352 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H]3CCC[C@@H]31)CCC2 ZINC000668013282 488185804 /nfs/dbraw/zinc/18/58/04/488185804.db2.gz UMIJCZRSOWWCAV-AAEUAGOBSA-N 2 2 231.343 2.204 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H]3CCC[C@@H]31)CCC2 ZINC000668013282 488185809 /nfs/dbraw/zinc/18/58/09/488185809.db2.gz UMIJCZRSOWWCAV-AAEUAGOBSA-N 2 2 231.343 2.204 20 0 BEADLP C[C@H](CCNc1cc[nH+]c(C2CC2)n1)[NH+](C)C ZINC000664242664 488205402 /nfs/dbraw/zinc/20/54/02/488205402.db2.gz FLKCGUXAYPMAEZ-SNVBAGLBSA-N 2 2 234.347 2.106 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CC3(C2)CCCC3)n1C ZINC000668173811 488214048 /nfs/dbraw/zinc/21/40/48/488214048.db2.gz UCNPVGUVIFHHDC-UHFFFAOYSA-N 2 2 219.332 2.105 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)n1C ZINC000668177589 488214859 /nfs/dbraw/zinc/21/48/59/488214859.db2.gz ADXUHFXXLMPCDB-CYBMUJFWSA-N 2 2 233.359 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)n1C ZINC000668177589 488214863 /nfs/dbraw/zinc/21/48/63/488214863.db2.gz ADXUHFXXLMPCDB-CYBMUJFWSA-N 2 2 233.359 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)n1C ZINC000668175454 488215123 /nfs/dbraw/zinc/21/51/23/488215123.db2.gz YAHRZUMMMXROHR-CYBMUJFWSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C3CC3)C2)n1C ZINC000668175454 488215126 /nfs/dbraw/zinc/21/51/26/488215126.db2.gz YAHRZUMMMXROHR-CYBMUJFWSA-N 2 2 233.359 2.351 20 0 BEADLP Cn1cccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235498 488222692 /nfs/dbraw/zinc/22/26/92/488222692.db2.gz KMAWBDZKHYOBNK-AWEZNQCLSA-N 2 2 244.342 2.059 20 0 BEADLP Cn1cccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235498 488222696 /nfs/dbraw/zinc/22/26/96/488222696.db2.gz KMAWBDZKHYOBNK-AWEZNQCLSA-N 2 2 244.342 2.059 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](Cc3cncs3)C2)c[nH+]1 ZINC000678235527 488222888 /nfs/dbraw/zinc/22/28/88/488222888.db2.gz VOBPHBKLQKATCU-NSHDSACASA-N 2 2 248.355 2.177 20 0 BEADLP c1cn([C@H]2CCC[N@H+](Cc3cncs3)C2)c[nH+]1 ZINC000678235527 488222891 /nfs/dbraw/zinc/22/28/91/488222891.db2.gz VOBPHBKLQKATCU-NSHDSACASA-N 2 2 248.355 2.177 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398805579 488224608 /nfs/dbraw/zinc/22/46/08/488224608.db2.gz PFTAJYGEQRDXBF-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398805579 488224609 /nfs/dbraw/zinc/22/46/09/488224609.db2.gz PFTAJYGEQRDXBF-WCQYABFASA-N 2 2 210.365 2.378 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678413755 488252973 /nfs/dbraw/zinc/25/29/73/488252973.db2.gz LZQVAYVHAIYBLH-UONOGXRCSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000678413755 488252974 /nfs/dbraw/zinc/25/29/74/488252974.db2.gz LZQVAYVHAIYBLH-UONOGXRCSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000678541870 488265306 /nfs/dbraw/zinc/26/53/06/488265306.db2.gz AMRCIYOQDYPIEE-OLZOCXBDSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000678541870 488265309 /nfs/dbraw/zinc/26/53/09/488265309.db2.gz AMRCIYOQDYPIEE-OLZOCXBDSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](CO)CC2CC2)c[nH+]1 ZINC000684387466 488304078 /nfs/dbraw/zinc/30/40/78/488304078.db2.gz BTDGJLKBECCHEC-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](CO)CC2CC2)c[nH+]1 ZINC000684387467 488304107 /nfs/dbraw/zinc/30/41/07/488304107.db2.gz BTDGJLKBECCHEC-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP CCc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc[nH+]1 ZINC000679708767 488364988 /nfs/dbraw/zinc/36/49/88/488364988.db2.gz YADOFLQYMYPMLC-NSHDSACASA-N 2 2 246.358 2.101 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000382227332 490137177 /nfs/dbraw/zinc/13/71/77/490137177.db2.gz ONRDJULCMXECFX-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC000382227332 490137180 /nfs/dbraw/zinc/13/71/80/490137180.db2.gz ONRDJULCMXECFX-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP C[N@H+](CCOCc1ccccc1)C1(C[NH3+])CCC1 ZINC000395508535 490339024 /nfs/dbraw/zinc/33/90/24/490339024.db2.gz ONOIVZCACBXBHO-UHFFFAOYSA-N 2 2 248.370 2.016 20 0 BEADLP C[N@@H+](CCOCc1ccccc1)C1(C[NH3+])CCC1 ZINC000395508535 490339029 /nfs/dbraw/zinc/33/90/29/490339029.db2.gz ONOIVZCACBXBHO-UHFFFAOYSA-N 2 2 248.370 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1C1CC1 ZINC000130290221 490370491 /nfs/dbraw/zinc/37/04/91/490370491.db2.gz ADPGAQLPOHWRRK-DGCLKSJQSA-N 2 2 246.354 2.107 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1C1CC1 ZINC000130290221 490370496 /nfs/dbraw/zinc/37/04/96/490370496.db2.gz ADPGAQLPOHWRRK-DGCLKSJQSA-N 2 2 246.354 2.107 20 0 BEADLP CC[N@H+](CC[NH3+])CCSc1ccccc1 ZINC000231818420 490412642 /nfs/dbraw/zinc/41/26/42/490412642.db2.gz ZCVNKNCPHAOYEM-UHFFFAOYSA-N 2 2 224.373 2.059 20 0 BEADLP CC[N@@H+](CC[NH3+])CCSc1ccccc1 ZINC000231818420 490412645 /nfs/dbraw/zinc/41/26/45/490412645.db2.gz ZCVNKNCPHAOYEM-UHFFFAOYSA-N 2 2 224.373 2.059 20 0 BEADLP C[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000076093977 490548623 /nfs/dbraw/zinc/54/86/23/490548623.db2.gz RWBPYIYNHYOXSS-UHFFFAOYSA-N 2 2 219.332 2.029 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000300515379 490565046 /nfs/dbraw/zinc/56/50/46/490565046.db2.gz BMKAVKMCJKZCNH-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000300515379 490565049 /nfs/dbraw/zinc/56/50/49/490565049.db2.gz BMKAVKMCJKZCNH-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP COCC[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088525126 491104561 /nfs/dbraw/zinc/10/45/61/491104561.db2.gz BDOJDVSDWSUZSG-RYUDHWBXSA-N 2 2 237.347 2.014 20 0 BEADLP COCC[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000088525126 491104562 /nfs/dbraw/zinc/10/45/62/491104562.db2.gz BDOJDVSDWSUZSG-RYUDHWBXSA-N 2 2 237.347 2.014 20 0 BEADLP CCc1cc(NC[C@H]2CCC[N@H+]2CC)nc(C)[nH+]1 ZINC000088760126 491108244 /nfs/dbraw/zinc/10/82/44/491108244.db2.gz CIBHBLIKKQOPMK-CYBMUJFWSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1cc(NC[C@H]2CCC[N@@H+]2CC)nc(C)[nH+]1 ZINC000088760126 491108245 /nfs/dbraw/zinc/10/82/45/491108245.db2.gz CIBHBLIKKQOPMK-CYBMUJFWSA-N 2 2 248.374 2.244 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCCCC1(C)C)[NH+](C)C ZINC000086844226 491115787 /nfs/dbraw/zinc/11/57/87/491115787.db2.gz LLJTUWLEXDGBJA-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C[C@H]1C ZINC000313301057 491122917 /nfs/dbraw/zinc/12/29/17/491122917.db2.gz OGUGQJXXFQJMRP-UPJWGTAASA-N 2 2 235.375 2.377 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000395093430 491125243 /nfs/dbraw/zinc/12/52/43/491125243.db2.gz CZTJNRPKEWMIEE-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)C(C[N@H+](C)CC1C[NH+](C)C1)C(C)C ZINC000668538515 491127259 /nfs/dbraw/zinc/12/72/59/491127259.db2.gz BIVNAFCOYMGAGF-UHFFFAOYSA-N 2 2 226.408 2.408 20 0 BEADLP CC(C)C(C[N@@H+](C)CC1C[NH+](C)C1)C(C)C ZINC000668538515 491127260 /nfs/dbraw/zinc/12/72/60/491127260.db2.gz BIVNAFCOYMGAGF-UHFFFAOYSA-N 2 2 226.408 2.408 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC1CCC1 ZINC000132052570 491133959 /nfs/dbraw/zinc/13/39/59/491133959.db2.gz AAGCFTZVPJMPAF-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]CC(C)(C)[NH+](C)C ZINC000132048151 491133999 /nfs/dbraw/zinc/13/39/99/491133999.db2.gz SDMQPZIZUQDGSH-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308978624 491141743 /nfs/dbraw/zinc/14/17/43/491141743.db2.gz HIXNPLKKJQKMAK-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308978624 491141744 /nfs/dbraw/zinc/14/17/44/491141744.db2.gz HIXNPLKKJQKMAK-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000488419234 533726098 /nfs/dbraw/zinc/72/60/98/533726098.db2.gz GYVQCPMXWJLWIU-BMFZPTHFSA-N 2 2 246.398 2.405 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400576315 533742341 /nfs/dbraw/zinc/74/23/41/533742341.db2.gz OZDLEKZUIDHWCI-HRDYMLBCSA-N 2 2 224.270 2.057 20 0 BEADLP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000400627081 533935953 /nfs/dbraw/zinc/93/59/53/533935953.db2.gz KZZNRPNIVCGUBN-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)CC1(F)F ZINC000494278473 534032167 /nfs/dbraw/zinc/03/21/67/534032167.db2.gz ADCXHFQSYZYLNO-LLVKDONJSA-N 2 2 243.301 2.250 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)CC1(F)F ZINC000494278473 534032180 /nfs/dbraw/zinc/03/21/80/534032180.db2.gz ADCXHFQSYZYLNO-LLVKDONJSA-N 2 2 243.301 2.250 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(F)C1 ZINC000334342709 536354439 /nfs/dbraw/zinc/35/44/39/536354439.db2.gz QFAFPKNFBQLHHS-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(F)C1 ZINC000334342709 536354441 /nfs/dbraw/zinc/35/44/41/536354441.db2.gz QFAFPKNFBQLHHS-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(F)C1 ZINC000334342709 536354443 /nfs/dbraw/zinc/35/44/43/536354443.db2.gz QFAFPKNFBQLHHS-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(F)C1 ZINC000334342709 536354445 /nfs/dbraw/zinc/35/44/45/536354445.db2.gz QFAFPKNFBQLHHS-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cscn1 ZINC000022863932 525347666 /nfs/dbraw/zinc/34/76/66/525347666.db2.gz OQHXSMKOVPIJQG-JTQLQIEISA-N 2 2 236.344 2.081 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000262002282 536440158 /nfs/dbraw/zinc/44/01/58/536440158.db2.gz UFZBSFPOJIRLAA-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000261548285 536440498 /nfs/dbraw/zinc/44/04/98/536440498.db2.gz JIHJILSCXVADTD-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(OC)c1 ZINC000261802048 536459070 /nfs/dbraw/zinc/45/90/70/536459070.db2.gz HANARDJYDJUVNE-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C)c(OC)c1 ZINC000261802048 536459072 /nfs/dbraw/zinc/45/90/72/536459072.db2.gz HANARDJYDJUVNE-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975290 536475745 /nfs/dbraw/zinc/47/57/45/536475745.db2.gz GDIJQVDWRDKPDC-CHWSQXEVSA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cccc[nH+]2)C1 ZINC000276975290 536475747 /nfs/dbraw/zinc/47/57/47/536475747.db2.gz GDIJQVDWRDKPDC-CHWSQXEVSA-N 2 2 231.343 2.002 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)COC ZINC000494029330 529002413 /nfs/dbraw/zinc/00/24/13/529002413.db2.gz VSJHLGFRVFGAOH-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)COC ZINC000494029330 529002416 /nfs/dbraw/zinc/00/24/16/529002416.db2.gz VSJHLGFRVFGAOH-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000250787402 535192273 /nfs/dbraw/zinc/19/22/73/535192273.db2.gz JKOXTBRIWSNACO-HIFRSBDPSA-N 2 2 247.386 2.292 20 0 BEADLP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000250787402 535192276 /nfs/dbraw/zinc/19/22/76/535192276.db2.gz JKOXTBRIWSNACO-HIFRSBDPSA-N 2 2 247.386 2.292 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000348187033 535267587 /nfs/dbraw/zinc/26/75/87/535267587.db2.gz OFJGRDVBXSJTNF-OLZOCXBDSA-N 2 2 235.375 2.470 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000086856942 535307725 /nfs/dbraw/zinc/30/77/25/535307725.db2.gz HFHCPCRXYBUGJB-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+](C)C ZINC000393619854 582925031 /nfs/dbraw/zinc/92/50/31/582925031.db2.gz OVHZCAXEMGLQMM-MNOVXSKESA-N 2 2 226.389 2.219 20 0 BEADLP CC[C@@H]1c2ccsc2CC[N@H+]1CC[NH3+] ZINC000261532626 535965334 /nfs/dbraw/zinc/96/53/34/535965334.db2.gz JZVHFVCCEBEAQN-SNVBAGLBSA-N 2 2 210.346 2.016 20 0 BEADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CC[NH3+] ZINC000261532626 535965339 /nfs/dbraw/zinc/96/53/39/535965339.db2.gz JZVHFVCCEBEAQN-SNVBAGLBSA-N 2 2 210.346 2.016 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CCc2ccc(C)cc2)C1 ZINC000261737371 536362320 /nfs/dbraw/zinc/36/23/20/536362320.db2.gz KFLVVQKNZZLAPH-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000261737371 536362324 /nfs/dbraw/zinc/36/23/24/536362324.db2.gz KFLVVQKNZZLAPH-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348245400 536375747 /nfs/dbraw/zinc/37/57/47/536375747.db2.gz OKRLSHZAWNVDGN-XHSDSOJGSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348245400 536375750 /nfs/dbraw/zinc/37/57/50/536375750.db2.gz OKRLSHZAWNVDGN-XHSDSOJGSA-N 2 2 244.382 2.474 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1sccc1C ZINC000169237402 536459197 /nfs/dbraw/zinc/45/91/97/536459197.db2.gz ACBJGRPWAQODOG-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1sccc1C ZINC000169237402 536459201 /nfs/dbraw/zinc/45/92/01/536459201.db2.gz ACBJGRPWAQODOG-NSHDSACASA-N 2 2 224.373 2.240 20 0 BEADLP CC1(C[NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000232866211 537881684 /nfs/dbraw/zinc/88/16/84/537881684.db2.gz LKKRYYUAZCNANR-UHFFFAOYSA-N 2 2 207.321 2.053 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348107728 566264628 /nfs/dbraw/zinc/26/46/28/566264628.db2.gz QIUUYEQMSBAREJ-CABCVRRESA-N 2 2 236.403 2.497 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348107729 566264723 /nfs/dbraw/zinc/26/47/23/566264723.db2.gz QIUUYEQMSBAREJ-GJZGRUSLSA-N 2 2 236.403 2.497 20 0 BEADLP CCC(CC)(C[NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000111043511 588718207 /nfs/dbraw/zinc/71/82/07/588718207.db2.gz POOIPLNIVZNVNP-UHFFFAOYSA-N 2 2 235.331 2.094 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000853249534 588728749 /nfs/dbraw/zinc/72/87/49/588728749.db2.gz QWXBHWGTHNXSSI-SMDDNHRTSA-N 2 2 246.354 2.024 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000853248738 588728933 /nfs/dbraw/zinc/72/89/33/588728933.db2.gz JNHZFBWYAHLMST-SNVBAGLBSA-N 2 2 248.326 2.139 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000854231848 588781179 /nfs/dbraw/zinc/78/11/79/588781179.db2.gz JONOCIQFHFCSHP-BXUZGUMPSA-N 2 2 218.344 2.180 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)c1 ZINC000854233270 588781197 /nfs/dbraw/zinc/78/11/97/588781197.db2.gz XMFYKEDXSWZRIW-VXGBXAGGSA-N 2 2 236.359 2.344 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc2c(c1)CCO2 ZINC000854231744 588781660 /nfs/dbraw/zinc/78/16/60/588781660.db2.gz GPVQSVRKPRTQNS-RISCZKNCSA-N 2 2 248.370 2.270 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)[C@H]1C ZINC000313301102 582681713 /nfs/dbraw/zinc/68/17/13/582681713.db2.gz OMYIDJQDXLXOPK-MBNYWOFBSA-N 2 2 235.375 2.377 20 0 BEADLP COC1CCC(C[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000892430787 582885552 /nfs/dbraw/zinc/88/55/52/582885552.db2.gz JPMPJDNGNGTQQV-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000892721642 582969091 /nfs/dbraw/zinc/96/90/91/582969091.db2.gz NABQEMXVDYPJRG-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000892721642 582969093 /nfs/dbraw/zinc/96/90/93/582969093.db2.gz NABQEMXVDYPJRG-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP COc1ccc(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000893213891 583072263 /nfs/dbraw/zinc/07/22/63/583072263.db2.gz LBGPRBNBYINXAP-UHFFFAOYSA-N 2 2 246.310 2.324 20 0 BEADLP C[NH2+]C1(CNc2cc[nH+]c(C(C)C)n2)CCC1 ZINC000856762590 588876154 /nfs/dbraw/zinc/87/61/54/588876154.db2.gz LXOYQSREEAHXKX-UHFFFAOYSA-N 2 2 234.347 2.154 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000222583512 583178718 /nfs/dbraw/zinc/17/87/18/583178718.db2.gz ZEYPPJADGYKWNT-YPMHNXCESA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000222583512 583178720 /nfs/dbraw/zinc/17/87/20/583178720.db2.gz ZEYPPJADGYKWNT-YPMHNXCESA-N 2 2 236.334 2.050 20 0 BEADLP COc1ccc(C)cc1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894154141 583320263 /nfs/dbraw/zinc/32/02/63/583320263.db2.gz SOLRXJWWCBDTKG-UHFFFAOYSA-N 2 2 245.326 2.059 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894204695 583340492 /nfs/dbraw/zinc/34/04/92/583340492.db2.gz SFZUHKXLJGNTNL-CQSZACIVSA-N 2 2 227.311 2.495 20 0 BEADLP COc1ccc(C[NH2+]Cc2c[nH+]c[nH]2)c(C)c1 ZINC000894351907 583433601 /nfs/dbraw/zinc/43/36/01/583433601.db2.gz MGRQBTFMLJGEOE-UHFFFAOYSA-N 2 2 231.299 2.017 20 0 BEADLP CC1([NH2+]Cc2c[nH+]c[nH]2)Cc2ccccc2C1 ZINC000894358003 583435820 /nfs/dbraw/zinc/43/58/20/583435820.db2.gz ARBDNJGKZYONLC-UHFFFAOYSA-N 2 2 227.311 2.057 20 0 BEADLP Cc1ncoc1C[NH2+]CCc1cc[nH+]cc1C ZINC000894358575 583436475 /nfs/dbraw/zinc/43/64/75/583436475.db2.gz HLGNJMKHLHYDHK-UHFFFAOYSA-N 2 2 231.299 2.019 20 0 BEADLP C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894368506 583439524 /nfs/dbraw/zinc/43/95/24/583439524.db2.gz RSHFROXOXDKIDI-RISCZKNCSA-N 2 2 245.326 2.012 20 0 BEADLP CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000894451506 583463065 /nfs/dbraw/zinc/46/30/65/583463065.db2.gz MWNIRVPSWNSQAX-UHFFFAOYSA-N 2 2 240.347 2.062 20 0 BEADLP CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000894451506 583463067 /nfs/dbraw/zinc/46/30/67/583463067.db2.gz MWNIRVPSWNSQAX-UHFFFAOYSA-N 2 2 240.347 2.062 20 0 BEADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894786380 583521805 /nfs/dbraw/zinc/52/18/05/583521805.db2.gz HDOREMZZZKJRDR-ZANVPECISA-N 2 2 229.283 2.022 20 0 BEADLP Cc1coc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000894853408 583531973 /nfs/dbraw/zinc/53/19/73/583531973.db2.gz XGILNNLJSNMQDH-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1coc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000894853408 583531974 /nfs/dbraw/zinc/53/19/74/583531974.db2.gz XGILNNLJSNMQDH-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1coc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000894853408 583531977 /nfs/dbraw/zinc/53/19/77/583531977.db2.gz XGILNNLJSNMQDH-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000894853408 583531979 /nfs/dbraw/zinc/53/19/79/583531979.db2.gz XGILNNLJSNMQDH-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000894869229 583539126 /nfs/dbraw/zinc/53/91/26/583539126.db2.gz RFCVHSMJZUCNLO-ZDUSSCGKSA-N 2 2 237.322 2.296 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@H+]1CCC[C@](C)(F)C1 ZINC000894869229 583539127 /nfs/dbraw/zinc/53/91/27/583539127.db2.gz RFCVHSMJZUCNLO-ZDUSSCGKSA-N 2 2 237.322 2.296 20 0 BEADLP C[C@@]1(C[NH2+]Cc2c[nH+]c[nH]2)CC1(Cl)Cl ZINC000894899659 583550693 /nfs/dbraw/zinc/55/06/93/583550693.db2.gz ZSMRRXHFAAAYOD-QMMMGPOBSA-N 2 2 234.130 2.083 20 0 BEADLP CCc1cc(NC[C@@H]2CC[N@H+]2CC)nc(CC)[nH+]1 ZINC000895161119 583609810 /nfs/dbraw/zinc/60/98/10/583609810.db2.gz QXXXEHLFJWHSNY-LBPRGKRZSA-N 2 2 248.374 2.108 20 0 BEADLP CCc1cc(NC[C@@H]2CC[N@@H+]2CC)nc(CC)[nH+]1 ZINC000895161119 583609811 /nfs/dbraw/zinc/60/98/11/583609811.db2.gz QXXXEHLFJWHSNY-LBPRGKRZSA-N 2 2 248.374 2.108 20 0 BEADLP CC1=NO[C@@H](C[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000895305077 583643195 /nfs/dbraw/zinc/64/31/95/583643195.db2.gz TWOFAQVHZKRCDI-CQSZACIVSA-N 2 2 247.342 2.077 20 0 BEADLP c1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)co1 ZINC000727466474 583655492 /nfs/dbraw/zinc/65/54/92/583655492.db2.gz VBVSVZDKXZAFBI-UHFFFAOYSA-N 2 2 241.294 2.260 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000896298275 583789321 /nfs/dbraw/zinc/78/93/21/583789321.db2.gz HZLRRULKJNFZEI-CLLJXQQHSA-N 2 2 245.370 2.283 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000896555930 583811645 /nfs/dbraw/zinc/81/16/45/583811645.db2.gz SFECNPUGHGDLBH-RWMBFGLXSA-N 2 2 208.349 2.167 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000896555930 583811647 /nfs/dbraw/zinc/81/16/47/583811647.db2.gz SFECNPUGHGDLBH-RWMBFGLXSA-N 2 2 208.349 2.167 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccnc(F)c1 ZINC000858095738 588932427 /nfs/dbraw/zinc/93/24/27/588932427.db2.gz QBBFVDLIVJXWBH-UHFFFAOYSA-N 2 2 239.338 2.041 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccnc(F)c1 ZINC000858095738 588932428 /nfs/dbraw/zinc/93/24/28/588932428.db2.gz QBBFVDLIVJXWBH-UHFFFAOYSA-N 2 2 239.338 2.041 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000840725404 583934263 /nfs/dbraw/zinc/93/42/63/583934263.db2.gz AFLXCSBUCLNGSD-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000840725404 583934265 /nfs/dbraw/zinc/93/42/65/583934265.db2.gz AFLXCSBUCLNGSD-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1scnc1Cl ZINC000872141278 583947837 /nfs/dbraw/zinc/94/78/37/583947837.db2.gz BFNXVPLPWLHUJV-SNVBAGLBSA-N 2 2 247.795 2.260 20 0 BEADLP COc1cccc2cc(C[NH2+]CC(C)(C)[NH3+])oc21 ZINC000841029864 584027279 /nfs/dbraw/zinc/02/72/79/584027279.db2.gz BTMMCAKSUKZZFR-UHFFFAOYSA-N 2 2 248.326 2.268 20 0 BEADLP CC1(C)C[C@H]([NH2+]Cc2c[nH+]c[nH]2)CCS1 ZINC000897794053 584048815 /nfs/dbraw/zinc/04/88/15/584048815.db2.gz RGDHFGBGNJBMKM-SECBINFHSA-N 2 2 225.361 2.174 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)CS1 ZINC000898033756 584078052 /nfs/dbraw/zinc/07/80/52/584078052.db2.gz BHSVRVBXHSOKLM-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)CS1 ZINC000898033756 584078056 /nfs/dbraw/zinc/07/80/56/584078056.db2.gz BHSVRVBXHSOKLM-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H](O)C1CC1 ZINC000898203849 584090455 /nfs/dbraw/zinc/09/04/55/584090455.db2.gz KEHBYQIJFYOQQH-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+]C/C=C\Cl)s1 ZINC000898427985 584133085 /nfs/dbraw/zinc/13/30/85/584133085.db2.gz FXMNXTRFTGDVKZ-ARJAWSKDSA-N 2 2 245.779 2.047 20 0 BEADLP Nc1ccc(-c2ccc3c(c2)CC[C@@H]([NH3+])C3)c[nH+]1 ZINC000899323771 584196677 /nfs/dbraw/zinc/19/66/77/584196677.db2.gz QOIONBBHWXIHTQ-CQSZACIVSA-N 2 2 239.322 2.147 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000858567304 588967020 /nfs/dbraw/zinc/96/70/20/588967020.db2.gz VMMIBVITZBHPMJ-YNEHKIRRSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000858567304 588967022 /nfs/dbraw/zinc/96/70/22/588967022.db2.gz VMMIBVITZBHPMJ-YNEHKIRRSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc(N[C@H]2C[NH2+]CC2(C)C)nc(C2CC2)[nH+]1 ZINC000900021330 584267489 /nfs/dbraw/zinc/26/74/89/584267489.db2.gz IMDMOHOFODOQLP-NSHDSACASA-N 2 2 246.358 2.072 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000902032245 584518852 /nfs/dbraw/zinc/51/88/52/584518852.db2.gz BIXRCHZVAAYSHS-UHFFFAOYSA-N 2 2 244.342 2.023 20 0 BEADLP CCn1c[nH+]c(CNc2cccc(C)[nH+]2)c1 ZINC000902078426 584520397 /nfs/dbraw/zinc/52/03/97/584520397.db2.gz BPHLMUBBDRUUJU-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP CCNc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000902089703 584524718 /nfs/dbraw/zinc/52/47/18/584524718.db2.gz GBIWFQLSRYHGPY-CQSZACIVSA-N 2 2 247.386 2.302 20 0 BEADLP CCNc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000902089703 584524719 /nfs/dbraw/zinc/52/47/19/584524719.db2.gz GBIWFQLSRYHGPY-CQSZACIVSA-N 2 2 247.386 2.302 20 0 BEADLP CCc1cc(NCc2c[nH+]cn2CC)nc(C)[nH+]1 ZINC000902228274 584541716 /nfs/dbraw/zinc/54/17/16/584541716.db2.gz GSSZBVIWHCZAAS-UHFFFAOYSA-N 2 2 245.330 2.176 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000902417336 584590941 /nfs/dbraw/zinc/59/09/41/584590941.db2.gz YHMHTUAACFJYQQ-QMMMGPOBSA-N 2 2 226.270 2.107 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417538 584591319 /nfs/dbraw/zinc/59/13/19/584591319.db2.gz SLJJFSSTPCRYFY-LLVKDONJSA-N 2 2 234.343 2.227 20 0 BEADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1F ZINC000902418624 584591957 /nfs/dbraw/zinc/59/19/57/584591957.db2.gz XNRPTFSAADWARG-LBPRGKRZSA-N 2 2 240.297 2.497 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000902433370 584596074 /nfs/dbraw/zinc/59/60/74/584596074.db2.gz JNEIRUIRVFULLL-SLBVQIDZSA-N 2 2 242.366 2.389 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902433429 584596235 /nfs/dbraw/zinc/59/62/35/584596235.db2.gz JXSPDXDTWABKOQ-HZSPNIEDSA-N 2 2 230.355 2.389 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902435315 584596382 /nfs/dbraw/zinc/59/63/82/584596382.db2.gz BJEZECAQTUPINK-QMGNLALYSA-N 2 2 230.355 2.389 20 0 BEADLP CCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440894 584597690 /nfs/dbraw/zinc/59/76/90/584597690.db2.gz BAJJIMOKZVHGNI-LERXQTSPSA-N 2 2 218.344 2.389 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902442063 584597800 /nfs/dbraw/zinc/59/78/00/584597800.db2.gz HYTXUCYEXJJAIV-WCQYABFASA-N 2 2 233.359 2.039 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902414291 584599441 /nfs/dbraw/zinc/59/94/41/584599441.db2.gz VVIOLGCMBNSGJX-ZDUSSCGKSA-N 2 2 246.354 2.290 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902472883 584600901 /nfs/dbraw/zinc/60/09/01/584600901.db2.gz KKFCIRPIMKPEOW-RUZUBIRVSA-N 2 2 216.328 2.230 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(F)c1 ZINC000902472876 584601000 /nfs/dbraw/zinc/60/10/00/584601000.db2.gz KFBUHVPPEBOTRL-GSVCSZOMSA-N 2 2 234.318 2.369 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccsc1 ZINC000902473091 584601500 /nfs/dbraw/zinc/60/15/00/584601500.db2.gz QMAZOJKUMXQLQD-KXGXSXBTSA-N 2 2 222.357 2.292 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902447029 584603962 /nfs/dbraw/zinc/60/39/62/584603962.db2.gz QHBKSSLVCYUQKK-DGCLKSJQSA-N 2 2 218.344 2.335 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902464713 584613457 /nfs/dbraw/zinc/61/34/57/584613457.db2.gz BWNBTSXXSHDSRE-SPWCGHHHSA-N 2 2 228.339 2.156 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C)n1 ZINC000902471984 584617410 /nfs/dbraw/zinc/61/74/10/584617410.db2.gz WAUHCYRNZFMATD-AYRXBEOTSA-N 2 2 245.370 2.242 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471942 584617732 /nfs/dbraw/zinc/61/77/32/584617732.db2.gz USXWENJWLLLWCW-QAQUCLOOSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@@H]1C[C@H](NC[C@H]2CCCCC[NH2+]2)c2[nH+]ccn21 ZINC000902481615 584623855 /nfs/dbraw/zinc/62/38/55/584623855.db2.gz FQENPEVDZAYUQO-UPJWGTAASA-N 2 2 248.374 2.011 20 0 BEADLP CNc1ccc(C)cc1C[NH2+]CC1([NH+](C)C)CC1 ZINC000902601710 584641148 /nfs/dbraw/zinc/64/11/48/584641148.db2.gz QGRGTRLVIDLEHE-UHFFFAOYSA-N 2 2 247.386 2.221 20 0 BEADLP CCNc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000902654064 584651533 /nfs/dbraw/zinc/65/15/33/584651533.db2.gz YPXNOPUSOJZUGG-OCCSQVGLSA-N 2 2 247.386 2.301 20 0 BEADLP CCNc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000902654064 584651535 /nfs/dbraw/zinc/65/15/35/584651535.db2.gz YPXNOPUSOJZUGG-OCCSQVGLSA-N 2 2 247.386 2.301 20 0 BEADLP c1cn(CCC[NH2+]C2C[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC000902720365 584659404 /nfs/dbraw/zinc/65/94/04/584659404.db2.gz IMTFGBZRNVKGMU-STQMWFEESA-N 2 2 233.359 2.442 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902723051 584660551 /nfs/dbraw/zinc/66/05/51/584660551.db2.gz KVQNDFVJBIUJHW-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902766416 584666767 /nfs/dbraw/zinc/66/67/67/584666767.db2.gz KBXRLDYEBMVXHK-SGMGOOAPSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902766416 584666769 /nfs/dbraw/zinc/66/67/69/584666769.db2.gz KBXRLDYEBMVXHK-SGMGOOAPSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902766417 584667033 /nfs/dbraw/zinc/66/70/33/584667033.db2.gz KBXRLDYEBMVXHK-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902766417 584667034 /nfs/dbraw/zinc/66/70/34/584667034.db2.gz KBXRLDYEBMVXHK-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902829662 584677443 /nfs/dbraw/zinc/67/74/43/584677443.db2.gz DFPJUFORMWOAAJ-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902829662 584677446 /nfs/dbraw/zinc/67/74/46/584677446.db2.gz DFPJUFORMWOAAJ-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C2C[C@@H]3CCC[C@H]3C2)c1 ZINC000903017131 584713314 /nfs/dbraw/zinc/71/33/14/584713314.db2.gz PQSIACLLCPRFCH-RYUDHWBXSA-N 2 2 233.359 2.131 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903071777 584726429 /nfs/dbraw/zinc/72/64/29/584726429.db2.gz KBXRLDYEBMVXHK-OBJOEFQTSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903071777 584726431 /nfs/dbraw/zinc/72/64/31/584726431.db2.gz KBXRLDYEBMVXHK-OBJOEFQTSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198647 584734932 /nfs/dbraw/zinc/73/49/32/584734932.db2.gz NWNHEIRRJKTCGQ-FZMZJTMJSA-N 2 2 233.359 2.426 20 0 BEADLP CCC[C@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903200634 584735448 /nfs/dbraw/zinc/73/54/48/584735448.db2.gz ALFHWAVRGXTQNM-NSHDSACASA-N 2 2 221.348 2.426 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201788 584735637 /nfs/dbraw/zinc/73/56/37/584735637.db2.gz NLQSNYKRXDUDOO-NSHDSACASA-N 2 2 233.359 2.426 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300332 584744162 /nfs/dbraw/zinc/74/41/62/584744162.db2.gz GXRMNDPOMAWMDR-FQUUOJAGSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300332 584744163 /nfs/dbraw/zinc/74/41/63/584744163.db2.gz GXRMNDPOMAWMDR-FQUUOJAGSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)C1CCSCC1 ZINC000903301107 584745154 /nfs/dbraw/zinc/74/51/54/584745154.db2.gz OBSQHXVZCTYSQG-DMDPSCGWSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCSCC1 ZINC000903301107 584745155 /nfs/dbraw/zinc/74/51/55/584745155.db2.gz OBSQHXVZCTYSQG-DMDPSCGWSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000903302341 584745442 /nfs/dbraw/zinc/74/54/42/584745442.db2.gz ZRUSBKJRJHDZMP-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000903302341 584745443 /nfs/dbraw/zinc/74/54/43/584745443.db2.gz ZRUSBKJRJHDZMP-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP CCCCC1([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000903312382 584748123 /nfs/dbraw/zinc/74/81/23/584748123.db2.gz VEQFIURGNWTTMD-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CCCCC1([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000903312382 584748124 /nfs/dbraw/zinc/74/81/24/584748124.db2.gz VEQFIURGNWTTMD-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903380570 584757552 /nfs/dbraw/zinc/75/75/52/584757552.db2.gz NWSYEFRILXZDNQ-ZDUSSCGKSA-N 2 2 221.348 2.072 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903379146 584757654 /nfs/dbraw/zinc/75/76/54/584757654.db2.gz FVEBKSLCIJMOJA-VHDGCEQUSA-N 2 2 247.386 2.463 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439697 584762742 /nfs/dbraw/zinc/76/27/42/584762742.db2.gz LUTLMXBOCNQGGP-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439697 584762743 /nfs/dbraw/zinc/76/27/43/584762743.db2.gz LUTLMXBOCNQGGP-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903439699 584762869 /nfs/dbraw/zinc/76/28/69/584762869.db2.gz LUTLMXBOCNQGGP-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903439699 584762870 /nfs/dbraw/zinc/76/28/70/584762870.db2.gz LUTLMXBOCNQGGP-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903420930 584763492 /nfs/dbraw/zinc/76/34/92/584763492.db2.gz GVYBPAKRWAQVSQ-ZDUSSCGKSA-N 2 2 229.327 2.091 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903420930 584763493 /nfs/dbraw/zinc/76/34/93/584763493.db2.gz GVYBPAKRWAQVSQ-ZDUSSCGKSA-N 2 2 229.327 2.091 20 0 BEADLP CC(C)Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000903420696 584763669 /nfs/dbraw/zinc/76/36/69/584763669.db2.gz FWKQLENWUMLLBA-OAHLLOKOSA-N 2 2 232.371 2.418 20 0 BEADLP CC(C)Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000903420696 584763672 /nfs/dbraw/zinc/76/36/72/584763672.db2.gz FWKQLENWUMLLBA-OAHLLOKOSA-N 2 2 232.371 2.418 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903422356 584764289 /nfs/dbraw/zinc/76/42/89/584764289.db2.gz ZQKHXQZJXMPZTG-CQSZACIVSA-N 2 2 243.354 2.481 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903422356 584764290 /nfs/dbraw/zinc/76/42/90/584764290.db2.gz ZQKHXQZJXMPZTG-CQSZACIVSA-N 2 2 243.354 2.481 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903452180 584771895 /nfs/dbraw/zinc/77/18/95/584771895.db2.gz ICLZUMFQUQQOOD-GWCFXTLKSA-N 2 2 229.327 2.089 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903452180 584771896 /nfs/dbraw/zinc/77/18/96/584771896.db2.gz ICLZUMFQUQQOOD-GWCFXTLKSA-N 2 2 229.327 2.089 20 0 BEADLP c1ccc([C@@]23C[C@@H]2C[N@@H+](C[C@H]2CCC[NH2+]2)C3)cc1 ZINC000903491094 584781146 /nfs/dbraw/zinc/78/11/46/584781146.db2.gz UWNOQXGSBMVMBG-OAGGEKHMSA-N 2 2 242.366 2.012 20 0 BEADLP c1ccc([C@@]23C[C@@H]2C[N@H+](C[C@H]2CCC[NH2+]2)C3)cc1 ZINC000903491094 584781147 /nfs/dbraw/zinc/78/11/47/584781147.db2.gz UWNOQXGSBMVMBG-OAGGEKHMSA-N 2 2 242.366 2.012 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903713103 584793417 /nfs/dbraw/zinc/79/34/17/584793417.db2.gz DXYBBRDMTOTYBE-CYBMUJFWSA-N 2 2 222.307 2.079 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000903713103 584793418 /nfs/dbraw/zinc/79/34/18/584793418.db2.gz DXYBBRDMTOTYBE-CYBMUJFWSA-N 2 2 222.307 2.079 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2CF)C1 ZINC000903713104 584793752 /nfs/dbraw/zinc/79/37/52/584793752.db2.gz DXYBBRDMTOTYBE-ZDUSSCGKSA-N 2 2 222.307 2.079 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2CF)C1 ZINC000903713104 584793753 /nfs/dbraw/zinc/79/37/53/584793753.db2.gz DXYBBRDMTOTYBE-ZDUSSCGKSA-N 2 2 222.307 2.079 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000903752644 584795269 /nfs/dbraw/zinc/79/52/69/584795269.db2.gz OXARHTBHVZDZAL-ZDUSSCGKSA-N 2 2 235.375 2.161 20 0 BEADLP FCc1ccccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903740947 584796238 /nfs/dbraw/zinc/79/62/38/584796238.db2.gz MOZBUMGJLFZDEV-OAHLLOKOSA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903740947 584796239 /nfs/dbraw/zinc/79/62/39/584796239.db2.gz MOZBUMGJLFZDEV-OAHLLOKOSA-N 2 2 248.345 2.482 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799781 584801272 /nfs/dbraw/zinc/80/12/72/584801272.db2.gz SNIDZJCIGYYVGS-YNEHKIRRSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799781 584801274 /nfs/dbraw/zinc/80/12/74/584801274.db2.gz SNIDZJCIGYYVGS-YNEHKIRRSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)OCCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798275 584801430 /nfs/dbraw/zinc/80/14/30/584801430.db2.gz MYRUZCAIIJXGEO-KGLIPLIRSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)OCCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903798275 584801431 /nfs/dbraw/zinc/80/14/31/584801431.db2.gz MYRUZCAIIJXGEO-KGLIPLIRSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])nc1 ZINC000903801286 584801952 /nfs/dbraw/zinc/80/19/52/584801952.db2.gz MBLJUAPLXKLYHI-UKRRQHHQSA-N 2 2 245.370 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])nc1 ZINC000903801286 584801953 /nfs/dbraw/zinc/80/19/53/584801953.db2.gz MBLJUAPLXKLYHI-UKRRQHHQSA-N 2 2 245.370 2.093 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCCC1CC1 ZINC000903803021 584802300 /nfs/dbraw/zinc/80/23/00/584802300.db2.gz VPXDIFHSUWNSLH-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCCC1CC1 ZINC000903803021 584802305 /nfs/dbraw/zinc/80/23/05/584802305.db2.gz VPXDIFHSUWNSLH-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP CC1CC(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903805658 584803003 /nfs/dbraw/zinc/80/30/03/584803003.db2.gz QUHIFJPVUKSMOS-NWINJMCUSA-N 2 2 222.376 2.236 20 0 BEADLP CC1CC(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903805658 584803005 /nfs/dbraw/zinc/80/30/05/584803005.db2.gz QUHIFJPVUKSMOS-NWINJMCUSA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805153 584803033 /nfs/dbraw/zinc/80/30/33/584803033.db2.gz MHWKFVDSEYMUMM-RQJABVFESA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805153 584803034 /nfs/dbraw/zinc/80/30/34/584803034.db2.gz MHWKFVDSEYMUMM-RQJABVFESA-N 2 2 222.376 2.236 20 0 BEADLP CC[C@@H](C)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903819292 584803703 /nfs/dbraw/zinc/80/37/03/584803703.db2.gz FKMRCRIGFCTBKV-LERXQTSPSA-N 2 2 218.344 2.247 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc1C ZINC000903821243 584803859 /nfs/dbraw/zinc/80/38/59/584803859.db2.gz ICLNRIWIPDLHCE-AWEZNQCLSA-N 2 2 232.371 2.391 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1 ZINC000903821409 584803944 /nfs/dbraw/zinc/80/39/44/584803944.db2.gz JZKDEKHJIIVHKC-HZPDHXFCSA-N 2 2 238.334 2.401 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000903823027 584804438 /nfs/dbraw/zinc/80/44/38/584804438.db2.gz BKTIBNKTTAEUKF-LBPRGKRZSA-N 2 2 238.762 2.428 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000903825025 584804743 /nfs/dbraw/zinc/80/47/43/584804743.db2.gz XHDYCVLLQSEYKE-CQSZACIVSA-N 2 2 232.371 2.391 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC000903849633 584808299 /nfs/dbraw/zinc/80/82/99/584808299.db2.gz FQGLRIGRYAGMGQ-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1F ZINC000903849633 584808300 /nfs/dbraw/zinc/80/83/00/584808300.db2.gz FQGLRIGRYAGMGQ-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903960388 584828369 /nfs/dbraw/zinc/82/83/69/584828369.db2.gz ICGXPCOAOANFPI-TZMCWYRMSA-N 2 2 218.344 2.001 20 0 BEADLP Cc1cc(N[C@H]2CCC[NH2+]CC2)c[nH+]c1C ZINC000903947985 584829364 /nfs/dbraw/zinc/82/93/64/584829364.db2.gz KBILAHCQENSQGY-LBPRGKRZSA-N 2 2 219.332 2.252 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950872 584830646 /nfs/dbraw/zinc/83/06/46/584830646.db2.gz SMYQPQQHZALVQQ-JQWIXIFHSA-N 2 2 219.332 2.332 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950877 584830840 /nfs/dbraw/zinc/83/08/40/584830840.db2.gz SNSUEXGHJSNATG-GFCCVEGCSA-N 2 2 219.332 2.332 20 0 BEADLP CC1CCC([NH2+]Cc2cc(N)cc[nH+]2)CC1 ZINC000903950093 584830864 /nfs/dbraw/zinc/83/08/64/584830864.db2.gz IKFZWHQANXSFOU-UHFFFAOYSA-N 2 2 219.332 2.332 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950654 584830909 /nfs/dbraw/zinc/83/09/09/584830909.db2.gz PQVHCOOFERQRRK-MRVPVSSYSA-N 2 2 247.264 2.484 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950876 584831028 /nfs/dbraw/zinc/83/10/28/584831028.db2.gz SMYQPQQHZALVQQ-ZYHUDNBSSA-N 2 2 219.332 2.332 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954798 584831822 /nfs/dbraw/zinc/83/18/22/584831822.db2.gz WDZGYZUPGADRAO-SNVBAGLBSA-N 2 2 219.332 2.332 20 0 BEADLP CC(C)(C)CC[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954772 584832011 /nfs/dbraw/zinc/83/20/11/584832011.db2.gz VDWYUYZVVPJNNJ-UHFFFAOYSA-N 2 2 207.321 2.190 20 0 BEADLP C[C@H]1COCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340131 584866748 /nfs/dbraw/zinc/86/67/48/584866748.db2.gz DLXRAWBSOIZFEV-OLZOCXBDSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@H]1COCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904340131 584866749 /nfs/dbraw/zinc/86/67/49/584866749.db2.gz DLXRAWBSOIZFEV-OLZOCXBDSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000904371698 584873322 /nfs/dbraw/zinc/87/33/22/584873322.db2.gz RGWXKTGWIORKFV-WOPDTQHZSA-N 2 2 242.432 2.330 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000904371698 584873324 /nfs/dbraw/zinc/87/33/24/584873324.db2.gz RGWXKTGWIORKFV-WOPDTQHZSA-N 2 2 242.432 2.330 20 0 BEADLP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388880 584875085 /nfs/dbraw/zinc/87/50/85/584875085.db2.gz PYHLCNUGHDPDNF-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388880 584875086 /nfs/dbraw/zinc/87/50/86/584875086.db2.gz PYHLCNUGHDPDNF-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)nc1 ZINC000817951738 584992109 /nfs/dbraw/zinc/99/21/09/584992109.db2.gz AAMSXTRKISRMKB-VIFPVBQESA-N 2 2 239.750 2.138 20 0 BEADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC000747530973 585180328 /nfs/dbraw/zinc/18/03/28/585180328.db2.gz ASXONKRLFQMDAK-IUAZIXFQSA-N 2 2 242.794 2.403 20 0 BEADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC000747530973 585180329 /nfs/dbraw/zinc/18/03/29/585180329.db2.gz ASXONKRLFQMDAK-IUAZIXFQSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000747530973 585180330 /nfs/dbraw/zinc/18/03/30/585180330.db2.gz ASXONKRLFQMDAK-IUAZIXFQSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000747530973 585180331 /nfs/dbraw/zinc/18/03/31/585180331.db2.gz ASXONKRLFQMDAK-IUAZIXFQSA-N 2 2 242.794 2.403 20 0 BEADLP C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000760842840 585399466 /nfs/dbraw/zinc/39/94/66/585399466.db2.gz CEAXWRYHYXYFSV-KBPBESRZSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000760842840 585399467 /nfs/dbraw/zinc/39/94/67/585399467.db2.gz CEAXWRYHYXYFSV-KBPBESRZSA-N 2 2 222.376 2.347 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccoc2)CC1 ZINC000763616965 585451421 /nfs/dbraw/zinc/45/14/21/585451421.db2.gz UGMDUHZQQSPGEC-CYBMUJFWSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccoc2)CC1 ZINC000763616965 585451422 /nfs/dbraw/zinc/45/14/22/585451422.db2.gz UGMDUHZQQSPGEC-CYBMUJFWSA-N 2 2 222.332 2.196 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772011 585492652 /nfs/dbraw/zinc/49/26/52/585492652.db2.gz ULXCCUDPQLGDQM-XHDPSFHLSA-N 2 2 246.354 2.072 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772011 585492653 /nfs/dbraw/zinc/49/26/53/585492653.db2.gz ULXCCUDPQLGDQM-XHDPSFHLSA-N 2 2 246.354 2.072 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772007 585492686 /nfs/dbraw/zinc/49/26/86/585492686.db2.gz ULXCCUDPQLGDQM-ABAIWWIYSA-N 2 2 246.354 2.072 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772007 585492687 /nfs/dbraw/zinc/49/26/87/585492687.db2.gz ULXCCUDPQLGDQM-ABAIWWIYSA-N 2 2 246.354 2.072 20 0 BEADLP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccn1 ZINC000766081381 585497280 /nfs/dbraw/zinc/49/72/80/585497280.db2.gz LWOXXARQGBYBMN-HNNXBMFYSA-N 2 2 247.386 2.463 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)C[N@@H+]1C1CC1 ZINC000768708261 585542034 /nfs/dbraw/zinc/54/20/34/585542034.db2.gz WJGQTWDFCOFGOJ-SFXRXQKFSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)C[N@H+]1C1CC1 ZINC000768708261 585542035 /nfs/dbraw/zinc/54/20/35/585542035.db2.gz WJGQTWDFCOFGOJ-SFXRXQKFSA-N 2 2 244.329 2.245 20 0 BEADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccoc2)C1 ZINC000769513467 585558363 /nfs/dbraw/zinc/55/83/63/585558363.db2.gz ADUPPMZPCOVVGY-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccoc2)C1 ZINC000769513467 585558364 /nfs/dbraw/zinc/55/83/64/585558364.db2.gz ADUPPMZPCOVVGY-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000769513467 585558365 /nfs/dbraw/zinc/55/83/65/585558365.db2.gz ADUPPMZPCOVVGY-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000769513467 585558366 /nfs/dbraw/zinc/55/83/66/585558366.db2.gz ADUPPMZPCOVVGY-AWEZNQCLSA-N 2 2 248.370 2.443 20 0 BEADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000769860475 585565423 /nfs/dbraw/zinc/56/54/23/585565423.db2.gz LTEMPEVPAZMXOW-SNVBAGLBSA-N 2 2 239.363 2.148 20 0 BEADLP CCCc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000775307326 585675254 /nfs/dbraw/zinc/67/52/54/585675254.db2.gz HNDWJECFTDQIHN-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000775307326 585675255 /nfs/dbraw/zinc/67/52/55/585675255.db2.gz HNDWJECFTDQIHN-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP Cl/C=C\C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000787664347 585913867 /nfs/dbraw/zinc/91/38/67/585913867.db2.gz NFZNMYVMFDLQPN-KYXXQBJFSA-N 2 2 238.718 2.287 20 0 BEADLP Cl/C=C\C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000787664347 585913868 /nfs/dbraw/zinc/91/38/68/585913868.db2.gz NFZNMYVMFDLQPN-KYXXQBJFSA-N 2 2 238.718 2.287 20 0 BEADLP C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000791577852 585984658 /nfs/dbraw/zinc/98/46/58/585984658.db2.gz OGYVLLLFVYVSBQ-TXEJJXNPSA-N 2 2 242.326 2.250 20 0 BEADLP C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000791577852 585984659 /nfs/dbraw/zinc/98/46/59/585984659.db2.gz OGYVLLLFVYVSBQ-TXEJJXNPSA-N 2 2 242.326 2.250 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 ZINC000793047437 586009115 /nfs/dbraw/zinc/00/91/15/586009115.db2.gz LUFSJIACHAVZSH-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 ZINC000793047437 586009116 /nfs/dbraw/zinc/00/91/16/586009116.db2.gz LUFSJIACHAVZSH-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000796283129 586100025 /nfs/dbraw/zinc/10/00/25/586100025.db2.gz BYEFYWPLUUCDRL-ZDUSSCGKSA-N 2 2 230.311 2.227 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000796283129 586100026 /nfs/dbraw/zinc/10/00/26/586100026.db2.gz BYEFYWPLUUCDRL-ZDUSSCGKSA-N 2 2 230.311 2.227 20 0 BEADLP CCC1(CC)[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@@H]1OC ZINC000796456258 586104002 /nfs/dbraw/zinc/10/40/02/586104002.db2.gz LRUXYOQEYONCQH-RYUDHWBXSA-N 2 2 237.347 2.093 20 0 BEADLP C[NH+](CCC[N@H+](C)CCF)Cc1ccco1 ZINC000796675304 586109689 /nfs/dbraw/zinc/10/96/89/586109689.db2.gz LTSSVMAEPTVTLA-UHFFFAOYSA-N 2 2 228.311 2.003 20 0 BEADLP C[NH+](CCC[N@@H+](C)CCF)Cc1ccco1 ZINC000796675304 586109690 /nfs/dbraw/zinc/10/96/90/586109690.db2.gz LTSSVMAEPTVTLA-UHFFFAOYSA-N 2 2 228.311 2.003 20 0 BEADLP C[NH+](CCF)CCC[N@H+](C)Cc1ccco1 ZINC000796675304 586109691 /nfs/dbraw/zinc/10/96/91/586109691.db2.gz LTSSVMAEPTVTLA-UHFFFAOYSA-N 2 2 228.311 2.003 20 0 BEADLP C[NH+](CCF)CCC[N@@H+](C)Cc1ccco1 ZINC000796675304 586109692 /nfs/dbraw/zinc/10/96/92/586109692.db2.gz LTSSVMAEPTVTLA-UHFFFAOYSA-N 2 2 228.311 2.003 20 0 BEADLP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000808718724 586484743 /nfs/dbraw/zinc/48/47/43/586484743.db2.gz AWZNULCVIACGBX-CYBMUJFWSA-N 2 2 249.358 2.135 20 0 BEADLP CC(C)C(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000808718724 586484745 /nfs/dbraw/zinc/48/47/45/586484745.db2.gz AWZNULCVIACGBX-CYBMUJFWSA-N 2 2 249.358 2.135 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cn[nH]c1 ZINC000809576933 586507640 /nfs/dbraw/zinc/50/76/40/586507640.db2.gz SZFFVCZQLQFGTJ-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cn[nH]c1 ZINC000809576933 586507642 /nfs/dbraw/zinc/50/76/42/586507642.db2.gz SZFFVCZQLQFGTJ-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CCO)C1CC1 ZINC000809623179 586509639 /nfs/dbraw/zinc/50/96/39/586509639.db2.gz QCJWDWWBMUXUBK-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccon1 ZINC000809624683 586509819 /nfs/dbraw/zinc/50/98/19/586509819.db2.gz OSWBLTBTHGSUEU-UHFFFAOYSA-N 2 2 231.299 2.100 20 0 BEADLP Cc1c[nH+]ccc1OC1CC[NH+](CCF)CC1 ZINC000809994752 586529333 /nfs/dbraw/zinc/52/93/33/586529333.db2.gz FYYOGKAIVDJHJJ-UHFFFAOYSA-N 2 2 238.306 2.203 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000816649224 586751805 /nfs/dbraw/zinc/75/18/05/586751805.db2.gz VYKYJKRIDQJMCD-WDEREUQCSA-N 2 2 215.300 2.175 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000816649224 586751806 /nfs/dbraw/zinc/75/18/06/586751806.db2.gz VYKYJKRIDQJMCD-WDEREUQCSA-N 2 2 215.300 2.175 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1C ZINC000816649459 586752733 /nfs/dbraw/zinc/75/27/33/586752733.db2.gz ZQGZXBAOLMMBSB-NXEZZACHSA-N 2 2 239.388 2.045 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]1C ZINC000816649459 586752734 /nfs/dbraw/zinc/75/27/34/586752734.db2.gz ZQGZXBAOLMMBSB-NXEZZACHSA-N 2 2 239.388 2.045 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000817897325 586834503 /nfs/dbraw/zinc/83/45/03/586834503.db2.gz KRMSWOMNRNNRJI-CHWSQXEVSA-N 2 2 222.307 2.104 20 0 BEADLP C[C@@H]([NH2+]CCNc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817901156 586836421 /nfs/dbraw/zinc/83/64/21/586836421.db2.gz SSTXWFVPIILXRU-UKRRQHHQSA-N 2 2 247.386 2.219 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817907580 586837027 /nfs/dbraw/zinc/83/70/27/586837027.db2.gz FGRHOWMMXXQNSH-HIFRSBDPSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817940086 586844974 /nfs/dbraw/zinc/84/49/74/586844974.db2.gz DQSPNVPPFZMEAE-FZMZJTMJSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccnc(Cl)c1 ZINC000817941250 586845605 /nfs/dbraw/zinc/84/56/05/586845605.db2.gz OQFAQPCDLYPNDJ-MWLCHTKSSA-N 2 2 239.750 2.138 20 0 BEADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000817944615 586846369 /nfs/dbraw/zinc/84/63/69/586846369.db2.gz IBRCYZCCRLRMQJ-ZYHUDNBSSA-N 2 2 222.307 2.147 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)nc1 ZINC000817952262 586848151 /nfs/dbraw/zinc/84/81/51/586848151.db2.gz OWIORHHDOZLFBZ-GXSJLCMTSA-N 2 2 239.750 2.138 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc2c(c1)CCCO2 ZINC000817953657 586849110 /nfs/dbraw/zinc/84/91/10/586849110.db2.gz RTMIPEJSZHETAP-AWEZNQCLSA-N 2 2 248.370 2.272 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(Cl)nc1 ZINC000817959384 586851223 /nfs/dbraw/zinc/85/12/23/586851223.db2.gz CNOSLABDJVPXMX-QMMMGPOBSA-N 2 2 227.739 2.123 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccnc1Cl ZINC000817961029 586851255 /nfs/dbraw/zinc/85/12/55/586851255.db2.gz SZIJPUUMHPTOGT-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817961372 586852535 /nfs/dbraw/zinc/85/25/35/586852535.db2.gz XVEXKZYWLYZCJK-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817961374 586852669 /nfs/dbraw/zinc/85/26/69/586852669.db2.gz XVEXKZYWLYZCJK-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000817970640 586857378 /nfs/dbraw/zinc/85/73/78/586857378.db2.gz BHFDAIUVSYALFZ-GZMMTYOYSA-N 2 2 240.347 2.299 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976589 586860966 /nfs/dbraw/zinc/86/09/66/586860966.db2.gz OLCFIRZWWMTDLC-VWYCJHECSA-N 2 2 216.344 2.101 20 0 BEADLP CO[C@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000821387902 587115513 /nfs/dbraw/zinc/11/55/13/587115513.db2.gz YMSNWDPXSBUSHK-KBPBESRZSA-N 2 2 249.358 2.088 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000822451663 587169036 /nfs/dbraw/zinc/16/90/36/587169036.db2.gz NWPDVMSZTRRCPG-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812788 587241110 /nfs/dbraw/zinc/24/11/10/587241110.db2.gz PSZOIUWNDVRJRT-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812788 587241111 /nfs/dbraw/zinc/24/11/11/587241111.db2.gz PSZOIUWNDVRJRT-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098239 587255224 /nfs/dbraw/zinc/25/52/24/587255224.db2.gz JYSHMLZERCRRKE-FQUUOJAGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098239 587255225 /nfs/dbraw/zinc/25/52/25/587255225.db2.gz JYSHMLZERCRRKE-FQUUOJAGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429885 587319587 /nfs/dbraw/zinc/31/95/87/587319587.db2.gz QBZCIFLQTZUNFT-RFQIPJPRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000825429885 587319589 /nfs/dbraw/zinc/31/95/89/587319589.db2.gz QBZCIFLQTZUNFT-RFQIPJPRSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)C1CCC1 ZINC000826868036 587364537 /nfs/dbraw/zinc/36/45/37/587364537.db2.gz OQMAKGACSMHJMN-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP CC[NH+](CC)CC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000828515139 587446838 /nfs/dbraw/zinc/44/68/38/587446838.db2.gz FSIOVVRDXPXUSN-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1(C)C ZINC000831359755 587600778 /nfs/dbraw/zinc/60/07/78/587600778.db2.gz ZSVJQTDJCPPUEL-RYUDHWBXSA-N 2 2 237.347 2.091 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841018022 587935410 /nfs/dbraw/zinc/93/54/10/587935410.db2.gz ADPOHKSHDPOXKI-KGLIPLIRSA-N 2 2 247.386 2.244 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841018022 587935411 /nfs/dbraw/zinc/93/54/11/587935411.db2.gz ADPOHKSHDPOXKI-KGLIPLIRSA-N 2 2 247.386 2.244 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841055110 587940589 /nfs/dbraw/zinc/94/05/89/587940589.db2.gz QGSWXZFZKBHSHG-WDEREUQCSA-N 2 2 220.316 2.092 20 0 BEADLP CC[C@H](C)C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841054875 587940883 /nfs/dbraw/zinc/94/08/83/587940883.db2.gz PGMKWHVTLRBQAN-NSHDSACASA-N 2 2 222.332 2.482 20 0 BEADLP COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000841078065 587945120 /nfs/dbraw/zinc/94/51/20/587945120.db2.gz FGQLVFGNMJMATN-IUCAKERBSA-N 2 2 242.750 2.174 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841088104 587945971 /nfs/dbraw/zinc/94/59/71/587945971.db2.gz XJENEZNBRBGPKJ-SNVBAGLBSA-N 2 2 241.766 2.198 20 0 BEADLP COCc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841086136 587946093 /nfs/dbraw/zinc/94/60/93/587946093.db2.gz MUPQRLBBSQSPHQ-CQSZACIVSA-N 2 2 248.370 2.063 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(Cl)n1 ZINC000843355147 588103274 /nfs/dbraw/zinc/10/32/74/588103274.db2.gz CLWDLJQQTJUXTG-GFCCVEGCSA-N 2 2 241.766 2.198 20 0 BEADLP Cn1c[nH+]cc1CCC[NH+]1CCC(F)(F)CC1 ZINC000846881695 588295122 /nfs/dbraw/zinc/29/51/22/588295122.db2.gz BGNHHGIMHVZSDK-UHFFFAOYSA-N 2 2 243.301 2.084 20 0 BEADLP C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000848568432 588398027 /nfs/dbraw/zinc/39/80/27/588398027.db2.gz IGBMQUBXCOPNJJ-QWHCGFSZSA-N 2 2 208.349 2.145 20 0 BEADLP C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000848568432 588398028 /nfs/dbraw/zinc/39/80/28/588398028.db2.gz IGBMQUBXCOPNJJ-QWHCGFSZSA-N 2 2 208.349 2.145 20 0 BEADLP COC1([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)CCC1 ZINC000850438572 588546397 /nfs/dbraw/zinc/54/63/97/588546397.db2.gz HPUMXJBAYKTSLF-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)CCC1 ZINC000850438572 588546398 /nfs/dbraw/zinc/54/63/98/588546398.db2.gz HPUMXJBAYKTSLF-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862295124 589199486 /nfs/dbraw/zinc/19/94/86/589199486.db2.gz ZCOCLJUQLWRDNY-SNVBAGLBSA-N 2 2 234.334 2.352 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC000862295090 589200855 /nfs/dbraw/zinc/20/08/55/589200855.db2.gz XZAWGBLFQZSKAU-NSHDSACASA-N 2 2 246.345 2.496 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(C)o1 ZINC000119233359 589252072 /nfs/dbraw/zinc/25/20/72/589252072.db2.gz BANBFKWMQVXGNK-CYBMUJFWSA-N 2 2 222.332 2.080 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000119233359 589252073 /nfs/dbraw/zinc/25/20/73/589252073.db2.gz BANBFKWMQVXGNK-CYBMUJFWSA-N 2 2 222.332 2.080 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)CCc1c(F)cccc1Cl ZINC000863567041 589299465 /nfs/dbraw/zinc/29/94/65/589299465.db2.gz BBDFQTRUVREENQ-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1c(F)cccc1Cl ZINC000863567041 589299466 /nfs/dbraw/zinc/29/94/66/589299466.db2.gz BBDFQTRUVREENQ-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP Cc1ccc2ncc(C[N@@H+](C)C[C@@H](C)[NH3+])cc2c1 ZINC000863569220 589300162 /nfs/dbraw/zinc/30/01/62/589300162.db2.gz SPNZIVLDTXDEGE-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2ncc(C[N@H+](C)C[C@@H](C)[NH3+])cc2c1 ZINC000863569220 589300164 /nfs/dbraw/zinc/30/01/64/589300164.db2.gz SPNZIVLDTXDEGE-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP CCc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863568512 589300299 /nfs/dbraw/zinc/30/02/99/589300299.db2.gz NDBYFEZNQYRKAU-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863568512 589300300 /nfs/dbraw/zinc/30/03/00/589300300.db2.gz NDBYFEZNQYRKAU-NSHDSACASA-N 2 2 206.333 2.028 20 0 BEADLP CCCc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863651147 589306870 /nfs/dbraw/zinc/30/68/70/589306870.db2.gz BSBWAMCRBJFJPF-LBPRGKRZSA-N 2 2 220.360 2.418 20 0 BEADLP CCCc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863651147 589306871 /nfs/dbraw/zinc/30/68/71/589306871.db2.gz BSBWAMCRBJFJPF-LBPRGKRZSA-N 2 2 220.360 2.418 20 0 BEADLP C[C@@]1(CC[NH2+]Cc2c[nH+]c[nH]2)C[C@]1(F)Cl ZINC000864050186 589334744 /nfs/dbraw/zinc/33/47/44/589334744.db2.gz XXRJRVCVVYQJJM-NXEZZACHSA-N 2 2 231.702 2.204 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721834 589458179 /nfs/dbraw/zinc/45/81/79/589458179.db2.gz HTIVJPOSGXLLGB-GXTWGEPZSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721834 589458180 /nfs/dbraw/zinc/45/81/80/589458180.db2.gz HTIVJPOSGXLLGB-GXTWGEPZSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000866213970 589480921 /nfs/dbraw/zinc/48/09/21/589480921.db2.gz FHEWYXDBOCWARY-CYBMUJFWSA-N 2 2 249.402 2.333 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000866243032 589482412 /nfs/dbraw/zinc/48/24/12/589482412.db2.gz VOIZCVLCKKYLPG-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000866243032 589482413 /nfs/dbraw/zinc/48/24/13/589482413.db2.gz VOIZCVLCKKYLPG-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)c1 ZINC000866356688 589487663 /nfs/dbraw/zinc/48/76/63/589487663.db2.gz ODEWPQSWDHOECO-KBPBESRZSA-N 2 2 234.387 2.466 20 0 BEADLP Cc1cccc(C[C@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000866355993 589487695 /nfs/dbraw/zinc/48/76/95/589487695.db2.gz IHWVIAHUSGYNLO-ZDUSSCGKSA-N 2 2 220.360 2.077 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000866376875 589488858 /nfs/dbraw/zinc/48/88/58/589488858.db2.gz SDVUAWWGDLKSTD-CYBMUJFWSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585039 589501896 /nfs/dbraw/zinc/50/18/96/589501896.db2.gz MXXQZDYOUISHEZ-IPYPFGDCSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585039 589501897 /nfs/dbraw/zinc/50/18/97/589501897.db2.gz MXXQZDYOUISHEZ-IPYPFGDCSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585039 589501898 /nfs/dbraw/zinc/50/18/98/589501898.db2.gz MXXQZDYOUISHEZ-IPYPFGDCSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585039 589501899 /nfs/dbraw/zinc/50/18/99/589501899.db2.gz MXXQZDYOUISHEZ-IPYPFGDCSA-N 2 2 245.370 2.169 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])nc1Cl ZINC000866668345 589510355 /nfs/dbraw/zinc/51/03/55/589510355.db2.gz DFVVLNXFCIOTNB-UHFFFAOYSA-N 2 2 241.766 2.213 20 0 BEADLP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])nc1Cl ZINC000866668345 589510357 /nfs/dbraw/zinc/51/03/57/589510357.db2.gz DFVVLNXFCIOTNB-UHFFFAOYSA-N 2 2 241.766 2.213 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOC1CCCCCC1 ZINC000866682606 589511211 /nfs/dbraw/zinc/51/12/11/589511211.db2.gz LIQKSHRKWQAMPN-OLZOCXBDSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000866682606 589511213 /nfs/dbraw/zinc/51/12/13/589511213.db2.gz LIQKSHRKWQAMPN-OLZOCXBDSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOC1CCCCCC1 ZINC000866682612 589511245 /nfs/dbraw/zinc/51/12/45/589511245.db2.gz LIQKSHRKWQAMPN-STQMWFEESA-N 2 2 240.391 2.147 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000866682612 589511246 /nfs/dbraw/zinc/51/12/46/589511246.db2.gz LIQKSHRKWQAMPN-STQMWFEESA-N 2 2 240.391 2.147 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866720142 589514959 /nfs/dbraw/zinc/51/49/59/589514959.db2.gz HOAOABGMQWCASD-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866720142 589514960 /nfs/dbraw/zinc/51/49/60/589514960.db2.gz HOAOABGMQWCASD-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720604 589515161 /nfs/dbraw/zinc/51/51/61/589515161.db2.gz GSADHQQOYLTHPX-HUUCEWRRSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866720604 589515162 /nfs/dbraw/zinc/51/51/62/589515162.db2.gz GSADHQQOYLTHPX-HUUCEWRRSA-N 2 2 230.355 2.321 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724250 589515890 /nfs/dbraw/zinc/51/58/90/589515890.db2.gz MBQXGFORWAKRCB-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866724250 589515891 /nfs/dbraw/zinc/51/58/91/589515891.db2.gz MBQXGFORWAKRCB-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(O)c1F ZINC000872016102 589855974 /nfs/dbraw/zinc/85/59/74/589855974.db2.gz DRBQJYHVBADEOC-JTQLQIEISA-N 2 2 240.322 2.134 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](C)C)C(C)(C)CC ZINC000872071236 589864423 /nfs/dbraw/zinc/86/44/23/589864423.db2.gz LRSNUXDOCDBIJU-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1scnc1Cl ZINC000872145842 589883834 /nfs/dbraw/zinc/88/38/34/589883834.db2.gz WSPAOJNZQUNTCJ-MRVPVSSYSA-N 2 2 247.795 2.260 20 0 BEADLP CC(C)Cc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000872772993 589967659 /nfs/dbraw/zinc/96/76/59/589967659.db2.gz VHRLRXHKEAYUQL-VXGBXAGGSA-N 2 2 248.374 2.228 20 0 BEADLP C[C@H](C[NH2+]Cc1cccc2ncccc12)[NH+](C)C ZINC000873041567 589980684 /nfs/dbraw/zinc/98/06/84/589980684.db2.gz BGCAOYLDVUEFLK-GFCCVEGCSA-N 2 2 243.354 2.275 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000873131361 589985513 /nfs/dbraw/zinc/98/55/13/589985513.db2.gz OAIMCMARYMLPOK-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000873207190 589993876 /nfs/dbraw/zinc/99/38/76/589993876.db2.gz SXLFXURFMFJFSV-UHFFFAOYSA-N 2 2 248.345 2.402 20 0 BEADLP Fc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230032 590001638 /nfs/dbraw/zinc/00/16/38/590001638.db2.gz KZZNCJVXZPRDME-UONOGXRCSA-N 2 2 234.318 2.200 20 0 BEADLP c1csc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230235 590001800 /nfs/dbraw/zinc/00/18/00/590001800.db2.gz NUHKYLXKEDBFHG-VXGBXAGGSA-N 2 2 222.357 2.122 20 0 BEADLP c1csc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230232 590001837 /nfs/dbraw/zinc/00/18/37/590001837.db2.gz NUHKYLXKEDBFHG-NEPJUHHUSA-N 2 2 222.357 2.122 20 0 BEADLP Fc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230033 590002379 /nfs/dbraw/zinc/00/23/79/590002379.db2.gz KZZNCJVXZPRDME-ZIAGYGMSSA-N 2 2 234.318 2.200 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873296180 590023747 /nfs/dbraw/zinc/02/37/47/590023747.db2.gz CFRDNBGTYCAKLR-WQVCFCJDSA-N 2 2 244.382 2.479 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CCSC1)[NH+](C)C ZINC000020201168 590085525 /nfs/dbraw/zinc/08/55/25/590085525.db2.gz KHMBYEPLHRYEPQ-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@H](C)C1CC1)[NH+](C)C ZINC000020201418 590085731 /nfs/dbraw/zinc/08/57/31/590085731.db2.gz AHTOXQISCUCXPA-YPMHNXCESA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000876928889 590258148 /nfs/dbraw/zinc/25/81/48/590258148.db2.gz CTGAREXYUNZKHK-RKDXNWHRSA-N 2 2 248.157 2.055 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741256 590407914 /nfs/dbraw/zinc/40/79/14/590407914.db2.gz AEFOKKTWPJNTQL-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741256 590407916 /nfs/dbraw/zinc/40/79/16/590407916.db2.gz AEFOKKTWPJNTQL-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741256 590407919 /nfs/dbraw/zinc/40/79/19/590407919.db2.gz AEFOKKTWPJNTQL-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000877741256 590407921 /nfs/dbraw/zinc/40/79/21/590407921.db2.gz AEFOKKTWPJNTQL-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c(C)o1 ZINC000877744423 590410686 /nfs/dbraw/zinc/41/06/86/590410686.db2.gz SSIZDARIOFRBIY-ZFWWWQNUSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(C)o1 ZINC000877744423 590410687 /nfs/dbraw/zinc/41/06/87/590410687.db2.gz SSIZDARIOFRBIY-ZFWWWQNUSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744423 590410688 /nfs/dbraw/zinc/41/06/88/590410688.db2.gz SSIZDARIOFRBIY-ZFWWWQNUSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744423 590410689 /nfs/dbraw/zinc/41/06/89/590410689.db2.gz SSIZDARIOFRBIY-ZFWWWQNUSA-N 2 2 248.370 2.422 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878791327 590623331 /nfs/dbraw/zinc/62/33/31/590623331.db2.gz LUAPRGVYRHPFGF-GFCCVEGCSA-N 2 2 228.767 2.299 20 0 BEADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878791327 590623332 /nfs/dbraw/zinc/62/33/32/590623332.db2.gz LUAPRGVYRHPFGF-GFCCVEGCSA-N 2 2 228.767 2.299 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791327 590623333 /nfs/dbraw/zinc/62/33/33/590623333.db2.gz LUAPRGVYRHPFGF-GFCCVEGCSA-N 2 2 228.767 2.299 20 0 BEADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC=C(Cl)C1 ZINC000878791327 590623335 /nfs/dbraw/zinc/62/33/35/590623335.db2.gz LUAPRGVYRHPFGF-GFCCVEGCSA-N 2 2 228.767 2.299 20 0 BEADLP CCC(=O)CC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000879286061 590726998 /nfs/dbraw/zinc/72/69/98/590726998.db2.gz JBTYBEKGTASBBA-UHFFFAOYSA-N 2 2 240.391 2.162 20 0 BEADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000879672922 590845784 /nfs/dbraw/zinc/84/57/84/590845784.db2.gz XFJSXOJPKODITL-NXEZZACHSA-N 2 2 245.248 2.396 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC000880130615 590932230 /nfs/dbraw/zinc/93/22/30/590932230.db2.gz GPSDZYJMOCJWNH-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC000880130615 590932232 /nfs/dbraw/zinc/93/22/32/590932232.db2.gz GPSDZYJMOCJWNH-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC000880130615 590932233 /nfs/dbraw/zinc/93/22/33/590932233.db2.gz GPSDZYJMOCJWNH-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC000880130615 590932237 /nfs/dbraw/zinc/93/22/37/590932237.db2.gz GPSDZYJMOCJWNH-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130260 590932387 /nfs/dbraw/zinc/93/23/87/590932387.db2.gz NVFZMIFUBZXRPY-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1cccc(F)c1 ZINC000880130260 590932390 /nfs/dbraw/zinc/93/23/90/590932390.db2.gz NVFZMIFUBZXRPY-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000880130260 590932394 /nfs/dbraw/zinc/93/23/94/590932394.db2.gz NVFZMIFUBZXRPY-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000880130260 590932396 /nfs/dbraw/zinc/93/23/96/590932396.db2.gz NVFZMIFUBZXRPY-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccccc1 ZINC000880130222 590932611 /nfs/dbraw/zinc/93/26/11/590932611.db2.gz NGBXXAYIOUPBJW-CABCVRRESA-N 2 2 230.355 2.355 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccccc1 ZINC000880130222 590932614 /nfs/dbraw/zinc/93/26/14/590932614.db2.gz NGBXXAYIOUPBJW-CABCVRRESA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000880130222 590932618 /nfs/dbraw/zinc/93/26/18/590932618.db2.gz NGBXXAYIOUPBJW-CABCVRRESA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000880130222 590932619 /nfs/dbraw/zinc/93/26/19/590932619.db2.gz NGBXXAYIOUPBJW-CABCVRRESA-N 2 2 230.355 2.355 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccccc1F ZINC000880133186 590934169 /nfs/dbraw/zinc/93/41/69/590934169.db2.gz ZYBQXVRTFNSDMI-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccccc1F ZINC000880133186 590934173 /nfs/dbraw/zinc/93/41/73/590934173.db2.gz ZYBQXVRTFNSDMI-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1F ZINC000880133186 590934178 /nfs/dbraw/zinc/93/41/78/590934178.db2.gz ZYBQXVRTFNSDMI-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1F ZINC000880133186 590934182 /nfs/dbraw/zinc/93/41/82/590934182.db2.gz ZYBQXVRTFNSDMI-GJZGRUSLSA-N 2 2 248.345 2.494 20 0 BEADLP CC(C)=CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880132712 590935101 /nfs/dbraw/zinc/93/51/01/590935101.db2.gz QZQWZFGKQQKKHJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880132712 590935103 /nfs/dbraw/zinc/93/51/03/590935103.db2.gz QZQWZFGKQQKKHJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132712 590935106 /nfs/dbraw/zinc/93/51/06/590935106.db2.gz QZQWZFGKQQKKHJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880132712 590935109 /nfs/dbraw/zinc/93/51/09/590935109.db2.gz QZQWZFGKQQKKHJ-QWHCGFSZSA-N 2 2 208.349 2.121 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880136810 590939397 /nfs/dbraw/zinc/93/93/97/590939397.db2.gz SJOAMILMRFEGAL-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880136810 590939400 /nfs/dbraw/zinc/93/94/00/590939400.db2.gz SJOAMILMRFEGAL-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136810 590939401 /nfs/dbraw/zinc/93/94/01/590939401.db2.gz SJOAMILMRFEGAL-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880136810 590939404 /nfs/dbraw/zinc/93/94/04/590939404.db2.gz SJOAMILMRFEGAL-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCC1 ZINC000880140661 590939527 /nfs/dbraw/zinc/93/95/27/590939527.db2.gz COALAXMJUCKGCN-KBPBESRZSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1=CCCC1 ZINC000880140661 590939530 /nfs/dbraw/zinc/93/95/30/590939530.db2.gz COALAXMJUCKGCN-KBPBESRZSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1=CCCC1 ZINC000880140661 590939531 /nfs/dbraw/zinc/93/95/31/590939531.db2.gz COALAXMJUCKGCN-KBPBESRZSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1=CCCC1 ZINC000880140661 590939534 /nfs/dbraw/zinc/93/95/34/590939534.db2.gz COALAXMJUCKGCN-KBPBESRZSA-N 2 2 220.360 2.265 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880136808 590939873 /nfs/dbraw/zinc/93/98/73/590939873.db2.gz SJOAMILMRFEGAL-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880136808 590939875 /nfs/dbraw/zinc/93/98/75/590939875.db2.gz SJOAMILMRFEGAL-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136808 590939877 /nfs/dbraw/zinc/93/98/77/590939877.db2.gz SJOAMILMRFEGAL-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccnc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880136808 590939881 /nfs/dbraw/zinc/93/98/81/590939881.db2.gz SJOAMILMRFEGAL-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880141984 590941674 /nfs/dbraw/zinc/94/16/74/590941674.db2.gz LJHUHLBVGGQHFQ-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141984 590941676 /nfs/dbraw/zinc/94/16/76/590941676.db2.gz LJHUHLBVGGQHFQ-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141984 590941677 /nfs/dbraw/zinc/94/16/77/590941677.db2.gz LJHUHLBVGGQHFQ-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141984 590941679 /nfs/dbraw/zinc/94/16/79/590941679.db2.gz LJHUHLBVGGQHFQ-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1oncc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473716 591053720 /nfs/dbraw/zinc/05/37/20/591053720.db2.gz LZJIRJRIKRGTQE-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1[nH+]cnc(NCCCC[N@@H+](C)C2CC2)c1C ZINC000882436441 591348287 /nfs/dbraw/zinc/34/82/87/591348287.db2.gz ZAHMEAIAJYYDQZ-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1[nH+]cnc(NCCCC[N@H+](C)C2CC2)c1C ZINC000882436441 591348291 /nfs/dbraw/zinc/34/82/91/591348291.db2.gz ZAHMEAIAJYYDQZ-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1C ZINC000882518664 591381212 /nfs/dbraw/zinc/38/12/12/591381212.db2.gz VPOCSPLWODGQKM-NEPJUHHUSA-N 2 2 248.374 2.234 20 0 BEADLP CC(C)c1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)cc[nH+]1 ZINC000882626557 591402248 /nfs/dbraw/zinc/40/22/48/591402248.db2.gz LBATWFMHGDBBQL-VXGBXAGGSA-N 2 2 248.374 2.495 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(CC3CC3)CC2)n1C ZINC000883248013 591589384 /nfs/dbraw/zinc/58/93/84/591589384.db2.gz FFPAYFBXYSIZQS-UHFFFAOYSA-N 2 2 233.359 2.398 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000883267449 591601322 /nfs/dbraw/zinc/60/13/22/591601322.db2.gz FNZHTLYGMIPICY-UISIKIEVSA-N 2 2 220.360 2.191 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000883267449 591601323 /nfs/dbraw/zinc/60/13/23/591601323.db2.gz FNZHTLYGMIPICY-UISIKIEVSA-N 2 2 220.360 2.191 20 0 BEADLP Cc1cc(NCc2c[nH+]c3n2CCC3)c[nH+]c1C ZINC000883341070 591619880 /nfs/dbraw/zinc/61/98/80/591619880.db2.gz HQCURFUGDWJQQI-UHFFFAOYSA-N 2 2 242.326 2.453 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000883355836 591626199 /nfs/dbraw/zinc/62/61/99/591626199.db2.gz YTBDGJJNFMCOID-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000883355836 591626201 /nfs/dbraw/zinc/62/62/01/591626201.db2.gz YTBDGJJNFMCOID-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CCc1ccc(NCc2[nH+]ccn2CC)[nH+]c1 ZINC000883385822 591638905 /nfs/dbraw/zinc/63/89/05/591638905.db2.gz SZYXAMKNPNZHGQ-UHFFFAOYSA-N 2 2 230.315 2.473 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883415815 591650994 /nfs/dbraw/zinc/65/09/94/591650994.db2.gz FOJPERARWAISLY-MNOVXSKESA-N 2 2 232.318 2.235 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883415815 591650996 /nfs/dbraw/zinc/65/09/96/591650996.db2.gz FOJPERARWAISLY-MNOVXSKESA-N 2 2 232.318 2.235 20 0 BEADLP CC[N@H+](CC[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883437001 591666070 /nfs/dbraw/zinc/66/60/70/591666070.db2.gz HGAUTISPFLDPKS-GJZGRUSLSA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000883437001 591666074 /nfs/dbraw/zinc/66/60/74/591666074.db2.gz HGAUTISPFLDPKS-GJZGRUSLSA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@H+](CC[NH3+])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883437000 591666212 /nfs/dbraw/zinc/66/62/12/591666212.db2.gz HGAUTISPFLDPKS-CABCVRRESA-N 2 2 248.370 2.187 20 0 BEADLP CC[N@@H+](CC[NH3+])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883437000 591666214 /nfs/dbraw/zinc/66/62/14/591666214.db2.gz HGAUTISPFLDPKS-CABCVRRESA-N 2 2 248.370 2.187 20 0 BEADLP C[C@@H]1OCC[C@H]1C[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455087 591672684 /nfs/dbraw/zinc/67/26/84/591672684.db2.gz SPIBGUSLJIQZLJ-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1OCC[C@H]1C[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000883455087 591672687 /nfs/dbraw/zinc/67/26/87/591672687.db2.gz SPIBGUSLJIQZLJ-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCCCCC1 ZINC000133420735 591791986 /nfs/dbraw/zinc/79/19/86/591791986.db2.gz NYLPHDGHUJNNHU-OCCSQVGLSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccnc1Cl ZINC000133598476 591831154 /nfs/dbraw/zinc/83/11/54/591831154.db2.gz VEYWXCLSOXFNTI-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccnc1Cl ZINC000133598476 591831155 /nfs/dbraw/zinc/83/11/55/591831155.db2.gz VEYWXCLSOXFNTI-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccnc1Cl ZINC000133598272 591831204 /nfs/dbraw/zinc/83/12/04/591831204.db2.gz VEYWXCLSOXFNTI-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccnc1Cl ZINC000133598272 591831207 /nfs/dbraw/zinc/83/12/07/591831207.db2.gz VEYWXCLSOXFNTI-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000134284613 591911962 /nfs/dbraw/zinc/91/19/62/591911962.db2.gz VSCYBENBPLZAGY-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]CC2(C)CCCC2)C1 ZINC000134284613 591911965 /nfs/dbraw/zinc/91/19/65/591911965.db2.gz VSCYBENBPLZAGY-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000134653067 591945368 /nfs/dbraw/zinc/94/53/68/591945368.db2.gz YOLVAWURWHHCDO-LBPRGKRZSA-N 2 2 238.762 2.442 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000134653067 591945366 /nfs/dbraw/zinc/94/53/66/591945366.db2.gz YOLVAWURWHHCDO-LBPRGKRZSA-N 2 2 238.762 2.442 20 0 BEADLP Clc1ccc2c(c1)C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C2 ZINC000134854116 591953406 /nfs/dbraw/zinc/95/34/06/591953406.db2.gz UATUPMOOFWFZOW-GFCCVEGCSA-N 2 2 247.729 2.320 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000135377995 592010599 /nfs/dbraw/zinc/01/05/99/592010599.db2.gz HCYOXIPFKLZZTF-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2cncc3ccccc32)C1 ZINC000135377995 592010602 /nfs/dbraw/zinc/01/06/02/592010602.db2.gz HCYOXIPFKLZZTF-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000885953634 592113852 /nfs/dbraw/zinc/11/38/52/592113852.db2.gz BRTMDUDCPTWCIF-ZDUSSCGKSA-N 2 2 236.359 2.410 20 0 BEADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000885953634 592113853 /nfs/dbraw/zinc/11/38/53/592113853.db2.gz BRTMDUDCPTWCIF-ZDUSSCGKSA-N 2 2 236.359 2.410 20 0 BEADLP Cc1[nH]c(C2CC[NH+](CCF)CC2)[nH+]c1C ZINC000886662747 592294937 /nfs/dbraw/zinc/29/49/37/592294937.db2.gz LBNAHORUJXCYAS-UHFFFAOYSA-N 2 2 225.311 2.175 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824958 592348679 /nfs/dbraw/zinc/34/86/79/592348679.db2.gz JTVNPJJHYFRXIH-SMDDNHRTSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824958 592348682 /nfs/dbraw/zinc/34/86/82/592348682.db2.gz JTVNPJJHYFRXIH-SMDDNHRTSA-N 2 2 234.387 2.391 20 0 BEADLP C(C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841246 592360799 /nfs/dbraw/zinc/36/07/99/592360799.db2.gz GBRUATQVOPNFJZ-QPSCCSFWSA-N 2 2 234.387 2.249 20 0 BEADLP C(C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC000886841246 592360801 /nfs/dbraw/zinc/36/08/01/592360801.db2.gz GBRUATQVOPNFJZ-QPSCCSFWSA-N 2 2 234.387 2.249 20 0 BEADLP FC(F)C[N@@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000887100590 592441565 /nfs/dbraw/zinc/44/15/65/592441565.db2.gz IOPPJAZEMAULQV-UHFFFAOYSA-N 2 2 243.301 2.393 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](CC(F)F)C1CCC1 ZINC000887100845 592441856 /nfs/dbraw/zinc/44/18/56/592441856.db2.gz TZLPXLMZXYLZCL-UHFFFAOYSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](CC(F)F)C1CCC1 ZINC000887100845 592441859 /nfs/dbraw/zinc/44/18/59/592441859.db2.gz TZLPXLMZXYLZCL-UHFFFAOYSA-N 2 2 243.301 2.311 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221888718 592462272 /nfs/dbraw/zinc/46/22/72/592462272.db2.gz CGACQSDLDWFMKS-UPJWGTAASA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221888718 592462273 /nfs/dbraw/zinc/46/22/73/592462273.db2.gz CGACQSDLDWFMKS-UPJWGTAASA-N 2 2 248.370 2.425 20 0 BEADLP [NH3+]CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000223288366 592526532 /nfs/dbraw/zinc/52/65/32/592526532.db2.gz DIWONLVDSYSRHF-UHFFFAOYSA-N 2 2 236.334 2.039 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[N@@H+]1C ZINC000299927860 634400492 /nfs/dbraw/zinc/40/04/92/634400492.db2.gz ASAKNLLKELPBQP-BNOWGMLFSA-N 2 2 245.370 2.141 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[N@H+]1C ZINC000299927860 634400493 /nfs/dbraw/zinc/40/04/93/634400493.db2.gz ASAKNLLKELPBQP-BNOWGMLFSA-N 2 2 245.370 2.141 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000925730932 634560562 /nfs/dbraw/zinc/56/05/62/634560562.db2.gz YMWMPMGKIANQSO-RISCZKNCSA-N 2 2 243.354 2.398 20 0 BEADLP CCC[N@H+](C[C@H]1CCC[NH2+]1)C[C@@H]1CCCCO1 ZINC000233112091 635529512 /nfs/dbraw/zinc/52/95/12/635529512.db2.gz UTONIUULAUYHEM-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[N@@H+](C[C@H]1CCC[NH2+]1)C[C@@H]1CCCCO1 ZINC000233112091 635529520 /nfs/dbraw/zinc/52/95/20/635529520.db2.gz UTONIUULAUYHEM-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000308828076 631674724 /nfs/dbraw/zinc/67/47/24/631674724.db2.gz SPOUIAHHRSKTSE-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000111380939 631864135 /nfs/dbraw/zinc/86/41/35/631864135.db2.gz QSZNDZNQWDRFQF-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000111380939 631864140 /nfs/dbraw/zinc/86/41/40/631864140.db2.gz QSZNDZNQWDRFQF-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000924968500 635815809 /nfs/dbraw/zinc/81/58/09/635815809.db2.gz ZJNIZLLXBTVSJW-KZVDOYCCSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000924968500 635815813 /nfs/dbraw/zinc/81/58/13/635815813.db2.gz ZJNIZLLXBTVSJW-KZVDOYCCSA-N 2 2 224.392 2.493 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000235208950 632539685 /nfs/dbraw/zinc/53/96/85/632539685.db2.gz YXJHUIKCXXXRHV-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccn1 ZINC000924558322 632842059 /nfs/dbraw/zinc/84/20/59/632842059.db2.gz AFHONUJHSWSTGP-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccn1 ZINC000924558322 632842061 /nfs/dbraw/zinc/84/20/61/632842061.db2.gz AFHONUJHSWSTGP-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccn1 ZINC000924558320 632843207 /nfs/dbraw/zinc/84/32/07/632843207.db2.gz AFHONUJHSWSTGP-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccn1 ZINC000924558320 632843209 /nfs/dbraw/zinc/84/32/09/632843209.db2.gz AFHONUJHSWSTGP-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1nc(C[NH2+]C[C@@H](C)C[NH+](C)C)sc1C ZINC000309795969 633751118 /nfs/dbraw/zinc/75/11/18/633751118.db2.gz VJSLRZQHHPPMHQ-SECBINFHSA-N 2 2 241.404 2.047 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000309741968 634001104 /nfs/dbraw/zinc/00/11/04/634001104.db2.gz HYIKICOTTOCRGM-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000309741968 634001110 /nfs/dbraw/zinc/00/11/10/634001110.db2.gz HYIKICOTTOCRGM-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000309768762 634003764 /nfs/dbraw/zinc/00/37/64/634003764.db2.gz JZBLQMJCDLVWGM-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000309768762 634003770 /nfs/dbraw/zinc/00/37/70/634003770.db2.gz JZBLQMJCDLVWGM-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000925646743 634202918 /nfs/dbraw/zinc/20/29/18/634202918.db2.gz VQQFJMGWIWSJDH-AEGPPILISA-N 2 2 246.354 2.357 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000925646744 634203195 /nfs/dbraw/zinc/20/31/95/634203195.db2.gz VQQFJMGWIWSJDH-CFVMTHIKSA-N 2 2 246.354 2.357 20 0 BEADLP CC(C)OCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925648294 634203379 /nfs/dbraw/zinc/20/33/79/634203379.db2.gz SNXFPHYUBUVGRC-JSGCOSHPSA-N 2 2 236.359 2.090 20 0 BEADLP COCCCC1(C[NH2+]C[C@@H](C)[NH+](C)C)CCC1 ZINC000893344956 634235256 /nfs/dbraw/zinc/23/52/56/634235256.db2.gz QROGKPOYWWUJHQ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc21)[NH+](C)C ZINC000893345771 634235676 /nfs/dbraw/zinc/23/56/76/634235676.db2.gz XBYXFYTWPSFINS-OCCSQVGLSA-N 2 2 232.371 2.256 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925682398 634282178 /nfs/dbraw/zinc/28/21/78/634282178.db2.gz WMFGEOTZESDACX-NSHDSACASA-N 2 2 224.373 2.287 20 0 BEADLP CC[C@H](C[NH2+]C[C@@H]1CCC=CO1)[NH+]1CCCC1 ZINC000194202146 634310588 /nfs/dbraw/zinc/31/05/88/634310588.db2.gz OTNCPLJOOBZSGT-KGLIPLIRSA-N 2 2 238.375 2.143 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194441904 634315924 /nfs/dbraw/zinc/31/59/24/634315924.db2.gz PVCAZOLJKKNOKQ-KGLIPLIRSA-N 2 2 238.375 2.143 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000194441904 634315927 /nfs/dbraw/zinc/31/59/27/634315927.db2.gz PVCAZOLJKKNOKQ-KGLIPLIRSA-N 2 2 238.375 2.143 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693169 634328196 /nfs/dbraw/zinc/32/81/96/634328196.db2.gz LSJZTQIPFWAFGQ-OSRDXIQISA-N 2 2 248.370 2.232 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925701365 634374714 /nfs/dbraw/zinc/37/47/14/634374714.db2.gz YGRDFKUWLGTDKT-HIFRSBDPSA-N 3 2 249.402 2.054 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(C)c1 ZINC000258792624 635201831 /nfs/dbraw/zinc/20/18/31/635201831.db2.gz QGROSBKYZRAQKF-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(C)c1 ZINC000258792624 635201836 /nfs/dbraw/zinc/20/18/36/635201836.db2.gz QGROSBKYZRAQKF-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000925785985 635302055 /nfs/dbraw/zinc/30/20/55/635302055.db2.gz MPWFGTXJPKOIET-YUSALJHKSA-N 2 2 236.384 2.323 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000304621389 635945634 /nfs/dbraw/zinc/94/56/34/635945634.db2.gz TXNCJNXYDDQVQU-GFCCVEGCSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000067500734 636269925 /nfs/dbraw/zinc/26/99/25/636269925.db2.gz ZVEZBCAHCIEXPQ-LBPRGKRZSA-N 2 2 247.317 2.448 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197065 636376206 /nfs/dbraw/zinc/37/62/06/636376206.db2.gz JZTRBAPIDZAKIL-XQLPTFJDSA-N 2 2 234.387 2.273 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197065 636376211 /nfs/dbraw/zinc/37/62/11/636376211.db2.gz JZTRBAPIDZAKIL-XQLPTFJDSA-N 2 2 234.387 2.273 20 0 BEADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ncco1 ZINC000925232248 636461488 /nfs/dbraw/zinc/46/14/88/636461488.db2.gz LUIMFCABMZNGNS-NSHDSACASA-N 2 2 246.314 2.222 20 0 BEADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC[NH3+] ZINC000054416797 636636899 /nfs/dbraw/zinc/63/68/99/636636899.db2.gz JRGBLBIGAUDDGL-LBPRGKRZSA-N 2 2 210.296 2.167 20 0 BEADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CC[NH3+] ZINC000054416797 636636902 /nfs/dbraw/zinc/63/69/02/636636902.db2.gz JRGBLBIGAUDDGL-LBPRGKRZSA-N 2 2 210.296 2.167 20 0 BEADLP CC(C)(C)C[NH2+]CC[NH+]1CCCCCC1 ZINC000041051486 636960340 /nfs/dbraw/zinc/96/03/40/636960340.db2.gz WRNUPGISSMAZIG-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000904429081 637397795 /nfs/dbraw/zinc/39/77/95/637397795.db2.gz WIKBCBNBLBKIMY-KBPBESRZSA-N 2 2 247.386 2.422 20 0 BEADLP CCO[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904429142 637398391 /nfs/dbraw/zinc/39/83/91/637398391.db2.gz XOTIZFPJNRJVFH-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP CCO[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904429142 637398394 /nfs/dbraw/zinc/39/83/94/637398394.db2.gz XOTIZFPJNRJVFH-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000904429084 637398995 /nfs/dbraw/zinc/39/89/95/637398995.db2.gz WIKBCBNBLBKIMY-ZIAGYGMSSA-N 2 2 247.386 2.422 20 0 BEADLP [NH3+]C1CC([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000906508358 638179067 /nfs/dbraw/zinc/17/90/67/638179067.db2.gz PCDNIGOCAKRGTR-UHFFFAOYSA-N 2 2 228.698 2.058 20 0 BEADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC000906508359 638179932 /nfs/dbraw/zinc/17/99/32/638179932.db2.gz PCDNIGOCAKRGTR-ZKCHVHJHSA-N 2 2 228.698 2.058 20 0 BEADLP CCCC[NH2+]CCCNc1cccc[nH+]1 ZINC000906528351 638193484 /nfs/dbraw/zinc/19/34/84/638193484.db2.gz ZGULLWAOLXXVHB-UHFFFAOYSA-N 2 2 207.321 2.273 20 0 BEADLP COC1([C@@H](C)[NH2+]Cc2[nH]c(C)[nH+]c2C)CCC1 ZINC000930722389 639876938 /nfs/dbraw/zinc/87/69/38/639876938.db2.gz PRQQEUACCGKBCH-SNVBAGLBSA-N 2 2 237.347 2.074 20 0 BEADLP Nc1cc[nH+]c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000931510965 640242531 /nfs/dbraw/zinc/24/25/31/640242531.db2.gz WSPGREODALAQCL-UHFFFAOYSA-N 2 2 239.322 2.222 20 0 BEADLP Nc1cc[nH+]c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000931510965 640242539 /nfs/dbraw/zinc/24/25/39/640242539.db2.gz WSPGREODALAQCL-UHFFFAOYSA-N 2 2 239.322 2.222 20 0 BEADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000226799415 640796267 /nfs/dbraw/zinc/79/62/67/640796267.db2.gz ZNOXALNYROTBBP-CQSZACIVSA-N 2 2 247.386 2.390 20 0 BEADLP C[C@@]1(C[NH+]2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000062867897 641104430 /nfs/dbraw/zinc/10/44/30/641104430.db2.gz DXCTYJSHHVKWTR-OAHLLOKOSA-N 2 2 230.355 2.392 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCSC[C@H]1C ZINC000934297700 641117733 /nfs/dbraw/zinc/11/77/33/641117733.db2.gz JXHQHEATYKQELH-LLVKDONJSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCSC[C@H]1C ZINC000934297700 641117738 /nfs/dbraw/zinc/11/77/38/641117738.db2.gz JXHQHEATYKQELH-LLVKDONJSA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCSC[C@@H]1C ZINC000934297701 641118362 /nfs/dbraw/zinc/11/83/62/641118362.db2.gz JXHQHEATYKQELH-NSHDSACASA-N 2 2 239.388 2.019 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCSC[C@@H]1C ZINC000934297701 641118366 /nfs/dbraw/zinc/11/83/66/641118366.db2.gz JXHQHEATYKQELH-NSHDSACASA-N 2 2 239.388 2.019 20 0 BEADLP C[C@@H]1CC=CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000934620684 641217821 /nfs/dbraw/zinc/21/78/21/641217821.db2.gz FSFDVXVAIPIMID-CHWSQXEVSA-N 2 2 219.332 2.218 20 0 BEADLP CCc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1 ZINC000032013359 641710738 /nfs/dbraw/zinc/71/07/38/641710738.db2.gz OSISKLGYNBJZRE-UHFFFAOYSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1 ZINC000032013359 641710742 /nfs/dbraw/zinc/71/07/42/641710742.db2.gz OSISKLGYNBJZRE-UHFFFAOYSA-N 2 2 218.344 2.172 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000093074762 642454505 /nfs/dbraw/zinc/45/45/05/642454505.db2.gz IQLDSCKITIOBGH-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H](C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000093074762 642454513 /nfs/dbraw/zinc/45/45/13/642454513.db2.gz IQLDSCKITIOBGH-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733390 643068441 /nfs/dbraw/zinc/06/84/41/643068441.db2.gz HHIRPWHVXKIPMW-MNOVXSKESA-N 2 2 239.388 2.183 20 0 BEADLP CC[N@H+](Cc1cc(C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071312382 643121938 /nfs/dbraw/zinc/12/19/38/643121938.db2.gz SBHOFWOLMAVIFR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1cc(C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071312382 643121942 /nfs/dbraw/zinc/12/19/42/643121942.db2.gz SBHOFWOLMAVIFR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cc(C)cc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000071536603 643152189 /nfs/dbraw/zinc/15/21/89/643152189.db2.gz SMKRHUZHLLPVRF-UHFFFAOYSA-N 2 2 232.371 2.442 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1C ZINC000082594871 643351834 /nfs/dbraw/zinc/35/18/34/643351834.db2.gz UUBIYCPFNUWBSU-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1C ZINC000082594871 643351840 /nfs/dbraw/zinc/35/18/40/643351840.db2.gz UUBIYCPFNUWBSU-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602409 643354251 /nfs/dbraw/zinc/35/42/51/643354251.db2.gz RFXKRJJESORISE-GFCCVEGCSA-N 2 2 238.400 2.365 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602409 643354256 /nfs/dbraw/zinc/35/42/56/643354256.db2.gz RFXKRJJESORISE-GFCCVEGCSA-N 2 2 238.400 2.365 20 0 BEADLP Cc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1C ZINC000084011088 643642087 /nfs/dbraw/zinc/64/20/87/643642087.db2.gz IORZNSJPYLTJLK-CQSZACIVSA-N 2 2 218.344 2.399 20 0 BEADLP Cc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1C ZINC000084011088 643642089 /nfs/dbraw/zinc/64/20/89/643642089.db2.gz IORZNSJPYLTJLK-CQSZACIVSA-N 2 2 218.344 2.399 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000050245100 643657503 /nfs/dbraw/zinc/65/75/03/643657503.db2.gz WKDNACKVQKVFCR-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000050245100 643657506 /nfs/dbraw/zinc/65/75/06/643657506.db2.gz WKDNACKVQKVFCR-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000050245553 643662002 /nfs/dbraw/zinc/66/20/02/643662002.db2.gz VDLIBDULDBQCHD-SNVBAGLBSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000050245553 643662007 /nfs/dbraw/zinc/66/20/07/643662007.db2.gz VDLIBDULDBQCHD-SNVBAGLBSA-N 2 2 242.725 2.260 20 0 BEADLP CCc1ncc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000923296113 644335324 /nfs/dbraw/zinc/33/53/24/644335324.db2.gz CHMYPKPFPWOZHP-GFCCVEGCSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1ncc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000923296113 644335326 /nfs/dbraw/zinc/33/53/26/644335326.db2.gz CHMYPKPFPWOZHP-GFCCVEGCSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1onc(C)c1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000923367550 644378516 /nfs/dbraw/zinc/37/85/16/644378516.db2.gz HIQLEPLQIMSAOA-LBPRGKRZSA-N 2 2 239.363 2.008 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCc1cccc(F)c1)C2 ZINC000923400388 644407410 /nfs/dbraw/zinc/40/74/10/644407410.db2.gz XZMWSZIEQUEHEC-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCc1cccc(F)c1)C2 ZINC000923400388 644407413 /nfs/dbraw/zinc/40/74/13/644407413.db2.gz XZMWSZIEQUEHEC-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP Cc1cccc2c1CC[N@H+](CC(C)(C)[NH3+])C2 ZINC000843062151 645260107 /nfs/dbraw/zinc/26/01/07/645260107.db2.gz GVSNBBXVVOXUGL-UHFFFAOYSA-N 2 2 218.344 2.090 20 0 BEADLP Cc1cccc2c1CC[N@@H+](CC(C)(C)[NH3+])C2 ZINC000843062151 645260119 /nfs/dbraw/zinc/26/01/19/645260119.db2.gz GVSNBBXVVOXUGL-UHFFFAOYSA-N 2 2 218.344 2.090 20 0 BEADLP C1=C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926690228 645360798 /nfs/dbraw/zinc/36/07/98/645360798.db2.gz OKULNRZKUIFTBN-MJBXVCDLSA-N 2 2 220.360 2.312 20 0 BEADLP C1=C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926690228 645360803 /nfs/dbraw/zinc/36/08/03/645360803.db2.gz OKULNRZKUIFTBN-MJBXVCDLSA-N 2 2 220.360 2.312 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926951953 645499394 /nfs/dbraw/zinc/49/93/94/645499394.db2.gz HLRCAXZNJPRGEA-WFASDCNBSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926951953 645499400 /nfs/dbraw/zinc/49/94/00/645499400.db2.gz HLRCAXZNJPRGEA-WFASDCNBSA-N 2 2 234.387 2.415 20 0 BEADLP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927110999 645552854 /nfs/dbraw/zinc/55/28/54/645552854.db2.gz XVJPJICXRNQYNU-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927110999 645552856 /nfs/dbraw/zinc/55/28/56/645552856.db2.gz XVJPJICXRNQYNU-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)c1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)on1 ZINC000925498621 645932490 /nfs/dbraw/zinc/93/24/90/645932490.db2.gz HKTOEIPHMGXPPE-STQMWFEESA-N 2 2 249.358 2.158 20 0 BEADLP CCOCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924523936 646045270 /nfs/dbraw/zinc/04/52/70/646045270.db2.gz CZKZOSPZGDBHHA-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CCOCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924523936 646045273 /nfs/dbraw/zinc/04/52/73/646045273.db2.gz CZKZOSPZGDBHHA-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccns1 ZINC000924527312 646047647 /nfs/dbraw/zinc/04/76/47/646047647.db2.gz RROIPLNFOMGNPN-JTQLQIEISA-N 2 2 241.404 2.382 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000924902637 646128646 /nfs/dbraw/zinc/12/86/46/646128646.db2.gz BBRCYCRPQWUABF-ITGUQSILSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000924902637 646128649 /nfs/dbraw/zinc/12/86/49/646128649.db2.gz BBRCYCRPQWUABF-ITGUQSILSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCOC12CCCCC2)[NH+](C)C ZINC000924959829 646144833 /nfs/dbraw/zinc/14/48/33/646144833.db2.gz XBDUWIZTERHZBM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(SC)C1 ZINC000925026515 646160516 /nfs/dbraw/zinc/16/05/16/646160516.db2.gz IEDLQMRTQKQZJX-OTTFEQOBSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(SC)C1 ZINC000925026515 646160522 /nfs/dbraw/zinc/16/05/22/646160522.db2.gz IEDLQMRTQKQZJX-OTTFEQOBSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ncco1 ZINC000925173539 646199711 /nfs/dbraw/zinc/19/97/11/646199711.db2.gz YRYBGEQBBGKOBG-MNOVXSKESA-N 2 2 246.314 2.099 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ncco1 ZINC000925173543 646200194 /nfs/dbraw/zinc/20/01/94/646200194.db2.gz YRYBGEQBBGKOBG-WDEREUQCSA-N 2 2 246.314 2.099 20 0 BEADLP COCc1ccccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925528679 646317103 /nfs/dbraw/zinc/31/71/03/646317103.db2.gz VHXSQHILEOSJMV-AWEZNQCLSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000925577145 646343453 /nfs/dbraw/zinc/34/34/53/646343453.db2.gz OXVBDQGDGGRHQK-JNOYHGBFSA-N 2 2 218.344 2.463 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925584090 646346930 /nfs/dbraw/zinc/34/69/30/646346930.db2.gz JSRDJOYTYPZZBG-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925584089 646347010 /nfs/dbraw/zinc/34/70/10/646347010.db2.gz JSRDJOYTYPZZBG-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925584087 646347556 /nfs/dbraw/zinc/34/75/56/646347556.db2.gz JSRDJOYTYPZZBG-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP COC/C(C)=C/C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000929960906 646378727 /nfs/dbraw/zinc/37/87/27/646378727.db2.gz HLPYGKVWOQLFKP-WLRTZDKTSA-N 2 2 240.391 2.042 20 0 BEADLP FC1(F)CC([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925651650 646391416 /nfs/dbraw/zinc/39/14/16/646391416.db2.gz IKXGWXGEWFFVNL-JTQLQIEISA-N 2 2 230.302 2.048 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000925676877 646404367 /nfs/dbraw/zinc/40/43/67/646404367.db2.gz MGTKSKGSBDPYLG-DMDPSCGWSA-N 2 2 224.323 2.413 20 0 BEADLP Cc1cc(N[C@@H]2CC[NH2+]CC[C@H]2C)c[nH+]c1C ZINC000925765032 646466016 /nfs/dbraw/zinc/46/60/16/646466016.db2.gz CNPYRBBWCYDCRL-QMTHXVAHSA-N 2 2 233.359 2.498 20 0 BEADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]2)c[nH+]c1C ZINC000925768596 646469146 /nfs/dbraw/zinc/46/91/46/646469146.db2.gz LGRBFHQXRDSYPI-AAEUAGOBSA-N 2 2 219.332 2.251 20 0 BEADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccoc1 ZINC000925782395 646478593 /nfs/dbraw/zinc/47/85/93/646478593.db2.gz LORQBJXWLKALIK-GXSJLCMTSA-N 2 2 244.285 2.175 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925785604 646481606 /nfs/dbraw/zinc/48/16/06/646481606.db2.gz LOYWWXHZWLWTKE-YRGRVCCFSA-N 2 2 218.344 2.254 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925787141 646483256 /nfs/dbraw/zinc/48/32/56/646483256.db2.gz XINLCICBOJEJNH-LALPHHSUSA-N 2 2 248.370 2.262 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC3CCC1CC3)CC2 ZINC000926223074 646597667 /nfs/dbraw/zinc/59/76/67/646597667.db2.gz AZTOGGUWQIUELE-NWINJMCUSA-N 2 2 245.370 2.366 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCC1 ZINC000926236634 646602570 /nfs/dbraw/zinc/60/25/70/646602570.db2.gz CTIFILQINSUYCM-MJBXVCDLSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000926240109 646602670 /nfs/dbraw/zinc/60/26/70/646602670.db2.gz XKPJKHZMARYHSZ-ZDUSSCGKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC2(C1)CCCC2 ZINC000926422829 646635670 /nfs/dbraw/zinc/63/56/70/646635670.db2.gz HZVSKPXADSKJDF-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)([NH3+])CC[NH2+]Cc1csc(C2CC2)n1 ZINC000708241512 712184111 /nfs/dbraw/zinc/18/41/11/712184111.db2.gz RBGRBUGASXLALW-UHFFFAOYSA-N 2 2 239.388 2.238 20 0 BEADLP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@@H]2C[NH3+])OC1 ZINC000713588079 712466209 /nfs/dbraw/zinc/46/62/09/712466209.db2.gz SQSFRCMAPSODOH-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP CC1(C)CC[C@H](C[N@H+]2CCCC[C@@H]2C[NH3+])OC1 ZINC000713588079 712466210 /nfs/dbraw/zinc/46/62/10/712466210.db2.gz SQSFRCMAPSODOH-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000380072741 712685054 /nfs/dbraw/zinc/68/50/54/712685054.db2.gz DOSCEGSFTUANCR-QWRGUYRKSA-N 2 2 232.437 2.446 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CC1(C)CCCC1 ZINC000380096104 712685830 /nfs/dbraw/zinc/68/58/30/712685830.db2.gz OIRIRRBXVPWVSG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CC1(C)CCCC1 ZINC000380096104 712685831 /nfs/dbraw/zinc/68/58/31/712685831.db2.gz OIRIRRBXVPWVSG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000718862970 712786567 /nfs/dbraw/zinc/78/65/67/712786567.db2.gz XUAHPPDNKUNODO-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000718862970 712786569 /nfs/dbraw/zinc/78/65/69/712786569.db2.gz XUAHPPDNKUNODO-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1cc(C)[nH+]c(CN(C)C2(C[NH3+])CCC2)c1 ZINC000723878663 710732543 /nfs/dbraw/zinc/73/25/43/710732543.db2.gz DNBFWDLNPUWPQC-UHFFFAOYSA-N 2 2 233.359 2.012 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382181548 710806382 /nfs/dbraw/zinc/80/63/82/710806382.db2.gz WSVYSNFJWOETIM-YWPUVAFDSA-N 2 2 210.365 2.105 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000903107377 710893130 /nfs/dbraw/zinc/89/31/30/710893130.db2.gz SOIFRERPIHHPDC-CHWSQXEVSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000380755805 712903010 /nfs/dbraw/zinc/90/30/10/712903010.db2.gz VAXKRLQSEAEVCG-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000380755805 712903011 /nfs/dbraw/zinc/90/30/11/712903011.db2.gz VAXKRLQSEAEVCG-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000380755129 712903014 /nfs/dbraw/zinc/90/30/14/712903014.db2.gz VAXKRLQSEAEVCG-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000380755129 712903015 /nfs/dbraw/zinc/90/30/15/712903015.db2.gz VAXKRLQSEAEVCG-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP CC1(C)C[N@H+](CCCc2ccccc2)C[C@H]1[NH3+] ZINC000388053841 711052268 /nfs/dbraw/zinc/05/22/68/711052268.db2.gz IAWCZPBTWYTOTG-CQSZACIVSA-N 2 2 232.371 2.288 20 0 BEADLP CC1(C)C[N@@H+](CCCc2ccccc2)C[C@H]1[NH3+] ZINC000388053841 711052273 /nfs/dbraw/zinc/05/22/73/711052273.db2.gz IAWCZPBTWYTOTG-CQSZACIVSA-N 2 2 232.371 2.288 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC1(C)CCC1 ZINC000389750039 711089947 /nfs/dbraw/zinc/08/99/47/711089947.db2.gz YONOOZKZYKQWKC-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC1(C)CCC1 ZINC000389750039 711089949 /nfs/dbraw/zinc/08/99/49/711089949.db2.gz YONOOZKZYKQWKC-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000390344560 711112543 /nfs/dbraw/zinc/11/25/43/711112543.db2.gz NTOZEWAZMYGTEY-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000390344560 711112545 /nfs/dbraw/zinc/11/25/45/711112545.db2.gz NTOZEWAZMYGTEY-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000396970098 711374364 /nfs/dbraw/zinc/37/43/64/711374364.db2.gz JKLDKKIAYRZKTO-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc2cc(C[N@@H+](C)C[C@@H](C)[NH3+])ccc2n1 ZINC000381209117 710609508 /nfs/dbraw/zinc/60/95/08/710609508.db2.gz TUJNUPAHQDJLDO-LLVKDONJSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2cc(C[N@H+](C)C[C@@H](C)[NH3+])ccc2n1 ZINC000381209117 710609510 /nfs/dbraw/zinc/60/95/10/710609510.db2.gz TUJNUPAHQDJLDO-LLVKDONJSA-N 2 2 243.354 2.322 20 0 BEADLP COCc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396709479 711367207 /nfs/dbraw/zinc/36/72/07/711367207.db2.gz QEYIUEZSEAFCRP-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000396970098 711374360 /nfs/dbraw/zinc/37/43/60/711374360.db2.gz JKLDKKIAYRZKTO-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000723877053 711542284 /nfs/dbraw/zinc/54/22/84/711542284.db2.gz QPSLBGNZROGBEP-KGLIPLIRSA-N 2 2 245.370 2.025 20 0 BEADLP C[C@@H]1C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000724415652 711578614 /nfs/dbraw/zinc/57/86/14/711578614.db2.gz AGJFODQPAOPPCW-ITGUQSILSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCSC1)[NH+]1CCCCC1 ZINC000224393076 711826810 /nfs/dbraw/zinc/82/68/10/711826810.db2.gz DOMQEAMHFPVLKD-OLZOCXBDSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000228689862 711835636 /nfs/dbraw/zinc/83/56/36/711835636.db2.gz BMEPYMWGIOTUSI-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000228689862 711835638 /nfs/dbraw/zinc/83/56/38/711835638.db2.gz BMEPYMWGIOTUSI-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC(C)CC1([NH2+]CC[NH+]2CCCC2)CC1 ZINC000701503850 712024955 /nfs/dbraw/zinc/02/49/55/712024955.db2.gz XMZKEZTUYXYTAD-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP COC(C)(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000711857485 712335664 /nfs/dbraw/zinc/33/56/64/712335664.db2.gz ZDBWRZOEJKVCOB-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP COC(C)(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000711857485 712335666 /nfs/dbraw/zinc/33/56/66/712335666.db2.gz ZDBWRZOEJKVCOB-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1cccc(F)c1 ZINC000712556779 712445462 /nfs/dbraw/zinc/44/54/62/712445462.db2.gz GBYOHNXBNPLCMD-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1cccc(F)c1 ZINC000712556779 712445463 /nfs/dbraw/zinc/44/54/63/712445463.db2.gz GBYOHNXBNPLCMD-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712699101 712448672 /nfs/dbraw/zinc/44/86/72/712448672.db2.gz ZXUFGTIZKKSQMR-MCIONIFRSA-N 2 2 222.376 2.106 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712699101 712448673 /nfs/dbraw/zinc/44/86/73/712448673.db2.gz ZXUFGTIZKKSQMR-MCIONIFRSA-N 2 2 222.376 2.106 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712699107 712448712 /nfs/dbraw/zinc/44/87/12/712448712.db2.gz ZXUFGTIZKKSQMR-RDBSUJKOSA-N 2 2 222.376 2.106 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712699107 712448713 /nfs/dbraw/zinc/44/87/13/712448713.db2.gz ZXUFGTIZKKSQMR-RDBSUJKOSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156694 712549710 /nfs/dbraw/zinc/54/97/10/712549710.db2.gz YQULVZILNHGEEJ-NSHDSACASA-N 2 2 209.337 2.296 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037249139 712558634 /nfs/dbraw/zinc/55/86/34/712558634.db2.gz NGWYFWQLQVRJOR-NSHDSACASA-N 2 2 222.332 2.333 20 0 BEADLP [NH3+][C@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1C(F)(F)F ZINC000716998750 712602966 /nfs/dbraw/zinc/60/29/66/712602966.db2.gz LBQNSWABTRFQQK-QWRGUYRKSA-N 2 2 248.292 2.164 20 0 BEADLP [NH3+][C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1C(F)(F)F ZINC000716998750 712602967 /nfs/dbraw/zinc/60/29/67/712602967.db2.gz LBQNSWABTRFQQK-QWRGUYRKSA-N 2 2 248.292 2.164 20 0 BEADLP Cc1coc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000718027287 712736807 /nfs/dbraw/zinc/73/68/07/712736807.db2.gz USYHUKPFBUTJGB-ZDUSSCGKSA-N 2 2 236.359 2.410 20 0 BEADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718037260 712737698 /nfs/dbraw/zinc/73/76/98/712737698.db2.gz YDUUOWSHYZAQRA-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000718790386 712784154 /nfs/dbraw/zinc/78/41/54/712784154.db2.gz NRFXXUABDBONEW-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000718790386 712784156 /nfs/dbraw/zinc/78/41/56/712784156.db2.gz NRFXXUABDBONEW-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]CC[N@H+](Cc1ccc(C)cc1)C(C)C ZINC000720739373 712862791 /nfs/dbraw/zinc/86/27/91/712862791.db2.gz MXMKPVVAGJUSBD-UHFFFAOYSA-N 2 2 220.360 2.425 20 0 BEADLP c1ccc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000720916138 712878235 /nfs/dbraw/zinc/87/82/35/712878235.db2.gz XZFPXNFHIFMMTO-HUUCEWRRSA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000720916138 712878236 /nfs/dbraw/zinc/87/82/36/712878236.db2.gz XZFPXNFHIFMMTO-HUUCEWRRSA-N 2 2 230.355 2.055 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000720921176 712878666 /nfs/dbraw/zinc/87/86/66/712878666.db2.gz YTRAHBUTXXPQFN-SRVKXCTJSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000720921176 712878669 /nfs/dbraw/zinc/87/86/69/712878669.db2.gz YTRAHBUTXXPQFN-SRVKXCTJSA-N 2 2 244.329 2.248 20 0 BEADLP CS[C@H](C)CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208151187 957024886 /nfs/dbraw/zinc/02/48/86/957024886.db2.gz SYVHKGRQADSZJL-UPJWGTAASA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208151187 957024911 /nfs/dbraw/zinc/02/49/11/957024911.db2.gz SYVHKGRQADSZJL-UPJWGTAASA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001208151187 957024927 /nfs/dbraw/zinc/02/49/27/957024927.db2.gz SYVHKGRQADSZJL-UPJWGTAASA-N 2 2 242.432 2.154 20 0 BEADLP CS[C@H](C)CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001208151187 957024946 /nfs/dbraw/zinc/02/49/46/957024946.db2.gz SYVHKGRQADSZJL-UPJWGTAASA-N 2 2 242.432 2.154 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1(Cl)CC1 ZINC000695657778 960327363 /nfs/dbraw/zinc/32/73/63/960327363.db2.gz JECIBMYDABIMSG-VHSXEESVSA-N 2 2 227.739 2.021 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCCCC1 ZINC000042371972 1165744734 /nfs/dbraw/zinc/74/47/34/1165744734.db2.gz MRZAKDYSLXUNAU-GFCCVEGCSA-N 2 2 210.365 2.393 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000069664002 1165902081 /nfs/dbraw/zinc/90/20/81/1165902081.db2.gz XLGCDFVAKQNWQS-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000069664002 1165902088 /nfs/dbraw/zinc/90/20/88/1165902088.db2.gz XLGCDFVAKQNWQS-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C(C1CCCC1)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000082269943 1166034299 /nfs/dbraw/zinc/03/42/99/1166034299.db2.gz JPVZGZVOKZCXDO-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCCC1)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000082269943 1166034308 /nfs/dbraw/zinc/03/43/08/1166034308.db2.gz JPVZGZVOKZCXDO-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCCC1)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000082269943 1166034318 /nfs/dbraw/zinc/03/43/18/1166034318.db2.gz JPVZGZVOKZCXDO-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCCC1)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000082269943 1166034325 /nfs/dbraw/zinc/03/43/25/1166034325.db2.gz JPVZGZVOKZCXDO-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C[NH+](C)CC(C)(C)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001207274473 968707233 /nfs/dbraw/zinc/70/72/33/968707233.db2.gz CVUDVZUAQVSTRO-UHFFFAOYSA-N 2 2 246.345 2.305 20 0 BEADLP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC1(F)F ZINC001207391356 968748283 /nfs/dbraw/zinc/74/82/83/968748283.db2.gz HTMSHVDGSSQQRM-NSHDSACASA-N 2 2 246.345 2.305 20 0 BEADLP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC1(F)F ZINC001207391356 968748289 /nfs/dbraw/zinc/74/82/89/968748289.db2.gz HTMSHVDGSSQQRM-NSHDSACASA-N 2 2 246.345 2.305 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CCOC2CCCCC2)C[NH2+]1 ZINC000399080742 1166126807 /nfs/dbraw/zinc/12/68/07/1166126807.db2.gz RSYPQZYGFPGJEH-STQMWFEESA-N 2 2 240.391 2.066 20 0 BEADLP CC[N@H+](CC[C@@H](C)SC)CCn1cc[nH+]c1 ZINC001208151285 969073357 /nfs/dbraw/zinc/07/33/57/969073357.db2.gz UKGVUDINGALTCF-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CC[N@@H+](CC[C@@H](C)SC)CCn1cc[nH+]c1 ZINC001208151285 969073367 /nfs/dbraw/zinc/07/33/67/969073367.db2.gz UKGVUDINGALTCF-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CSCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000228876194 1166225071 /nfs/dbraw/zinc/22/50/71/1166225071.db2.gz NODIFDIKRNCOQJ-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000228876194 1166225076 /nfs/dbraw/zinc/22/50/76/1166225076.db2.gz NODIFDIKRNCOQJ-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000227673322 1166259540 /nfs/dbraw/zinc/25/95/40/1166259540.db2.gz MUFJRLRJAPZSRY-GHMZBOCLSA-N 2 2 205.305 2.011 20 0 BEADLP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001253520957 969196967 /nfs/dbraw/zinc/19/69/67/969196967.db2.gz XVPRXRUJMVUFFB-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001253520957 969196970 /nfs/dbraw/zinc/19/69/70/969196970.db2.gz XVPRXRUJMVUFFB-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP COCCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209219916 969409035 /nfs/dbraw/zinc/40/90/35/969409035.db2.gz OZQWJDKPAICTQB-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP COCCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209219916 969409040 /nfs/dbraw/zinc/40/90/40/969409040.db2.gz OZQWJDKPAICTQB-UHFFFAOYSA-N 2 2 242.407 2.218 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839234 969802107 /nfs/dbraw/zinc/80/21/07/969802107.db2.gz OHMIDKRULPFWPR-TZMCWYRMSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000394448054 1166589204 /nfs/dbraw/zinc/58/92/04/1166589204.db2.gz JYDSHHZQANKWSV-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000394448054 1166589212 /nfs/dbraw/zinc/58/92/12/1166589212.db2.gz JYDSHHZQANKWSV-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000394448051 1166589350 /nfs/dbraw/zinc/58/93/50/1166589350.db2.gz JYDSHHZQANKWSV-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000394448051 1166589356 /nfs/dbraw/zinc/58/93/56/1166589356.db2.gz JYDSHHZQANKWSV-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C1CCSCC1 ZINC000112376742 1166628993 /nfs/dbraw/zinc/62/89/93/1166628993.db2.gz UMKOJSPCAAIGKU-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C1CCSCC1 ZINC000112376742 1166628999 /nfs/dbraw/zinc/62/89/99/1166628999.db2.gz UMKOJSPCAAIGKU-UHFFFAOYSA-N 2 2 230.421 2.204 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[NH2+]CC2)c(C)c1 ZINC001204660625 1166793648 /nfs/dbraw/zinc/79/36/48/1166793648.db2.gz GEEHOCXQGGHCIW-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[NH2+]CC2)c(C)c1 ZINC001204660625 1166793651 /nfs/dbraw/zinc/79/36/51/1166793651.db2.gz GEEHOCXQGGHCIW-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCCC2)C1 ZINC000251139912 1166792593 /nfs/dbraw/zinc/79/25/93/1166792593.db2.gz WEFIXFYHTYMQKO-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256207926 970712613 /nfs/dbraw/zinc/71/26/13/970712613.db2.gz RVNGLNWCQFSYFQ-GFCCVEGCSA-N 2 2 210.365 2.345 20 0 BEADLP C[C@@H]1CCCCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256207926 970712624 /nfs/dbraw/zinc/71/26/24/970712624.db2.gz RVNGLNWCQFSYFQ-GFCCVEGCSA-N 2 2 210.365 2.345 20 0 BEADLP Cc1ccc(N[C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000381530656 1166941964 /nfs/dbraw/zinc/94/19/64/1166941964.db2.gz YWHVBXFUOGQHIL-TVQRCGJNSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1ccc(N[C@@H]2C[N@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000381530656 1166941971 /nfs/dbraw/zinc/94/19/71/1166941971.db2.gz YWHVBXFUOGQHIL-TVQRCGJNSA-N 2 2 219.332 2.060 20 0 BEADLP CCCC[C@H](CC)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251358497 1167137224 /nfs/dbraw/zinc/13/72/24/1167137224.db2.gz OYSBVHDYLMIMNZ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@H](CC)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251358497 1167137228 /nfs/dbraw/zinc/13/72/28/1167137228.db2.gz OYSBVHDYLMIMNZ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C[C@H]1C ZINC000251848066 1167462369 /nfs/dbraw/zinc/46/23/69/1167462369.db2.gz OTBSJTWSEUOORG-JHJVBQTASA-N 2 2 235.375 2.377 20 0 BEADLP C[C@H]([NH3+])c1ccccc1-c1ccc[nH+]c1N ZINC001243473963 970764531 /nfs/dbraw/zinc/76/45/31/970764531.db2.gz QEOFNSVKEOEQJC-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP C(C1CC1)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649402 979687147 /nfs/dbraw/zinc/68/71/47/979687147.db2.gz XZLGVRRXKDBTNR-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC001183001063 979695125 /nfs/dbraw/zinc/69/51/25/979695125.db2.gz RPXLNFIYEQPUSJ-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OC)cc1C ZINC001236868888 979772501 /nfs/dbraw/zinc/77/25/01/979772501.db2.gz QWLQBOSGEVBCEL-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OC)cc1C ZINC001236868888 979772519 /nfs/dbraw/zinc/77/25/19/979772519.db2.gz QWLQBOSGEVBCEL-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2occc2c1 ZINC001236895516 979786121 /nfs/dbraw/zinc/78/61/21/979786121.db2.gz RSNANCDWVQPMEW-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2occc2c1 ZINC001236895516 979786126 /nfs/dbraw/zinc/78/61/26/979786126.db2.gz RSNANCDWVQPMEW-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP c1c[nH+]c(Nc2ccc[nH+]c2N2CCCC2)[nH]1 ZINC001176080302 1168702016 /nfs/dbraw/zinc/70/20/16/1168702016.db2.gz SRKWMJHPQKGAJL-UHFFFAOYSA-N 2 2 229.287 2.149 20 0 BEADLP CCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201737329 983442041 /nfs/dbraw/zinc/44/20/41/983442041.db2.gz IQEHDCHAHXTDRX-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201737329 983442061 /nfs/dbraw/zinc/44/20/61/983442061.db2.gz IQEHDCHAHXTDRX-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201737329 983442071 /nfs/dbraw/zinc/44/20/71/983442071.db2.gz IQEHDCHAHXTDRX-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201737329 983442082 /nfs/dbraw/zinc/44/20/82/983442082.db2.gz IQEHDCHAHXTDRX-OLZOCXBDSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001172435039 974755676 /nfs/dbraw/zinc/75/56/76/974755676.db2.gz XGXZZIBWOWBGDT-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001172435039 974755680 /nfs/dbraw/zinc/75/56/80/974755680.db2.gz XGXZZIBWOWBGDT-KGLIPLIRSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)OCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172441824 974802532 /nfs/dbraw/zinc/80/25/32/974802532.db2.gz YXOZFLPNEUYTQE-ZDUSSCGKSA-N 2 2 242.407 2.216 20 0 BEADLP CC(C)OCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172441824 974802534 /nfs/dbraw/zinc/80/25/34/974802534.db2.gz YXOZFLPNEUYTQE-ZDUSSCGKSA-N 2 2 242.407 2.216 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CCOCC(C)C ZINC001172455707 974819947 /nfs/dbraw/zinc/81/99/47/974819947.db2.gz ALQVEPJLVMLIJU-CQSZACIVSA-N 2 2 244.423 2.369 20 0 BEADLP COc1cc(C)c[nH+]c1NCCn1cc[nH+]c1C ZINC001156010001 1169422937 /nfs/dbraw/zinc/42/29/37/1169422937.db2.gz FABDRIQJWOMRNW-UHFFFAOYSA-N 2 2 246.314 2.016 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403587868 970988865 /nfs/dbraw/zinc/98/88/65/970988865.db2.gz SURFAEXLQQVTSQ-YOGCLGLASA-N 2 2 240.416 2.097 20 0 BEADLP CSCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256896233 971011257 /nfs/dbraw/zinc/01/12/57/971011257.db2.gz AHWIVTYLTGPCAT-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CSCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896233 971011266 /nfs/dbraw/zinc/01/12/66/971011266.db2.gz AHWIVTYLTGPCAT-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CSCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256896230 971013216 /nfs/dbraw/zinc/01/32/16/971013216.db2.gz AHWIVTYLTGPCAT-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CSCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256896230 971013229 /nfs/dbraw/zinc/01/32/29/971013229.db2.gz AHWIVTYLTGPCAT-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@H]1C[N@H+](CCC[NH2+]C2CC2)[C@@H](CC)CO1 ZINC000404096609 971123648 /nfs/dbraw/zinc/12/36/48/971123648.db2.gz RWKAMOSWCLGDOE-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1C[N@@H+](CCC[NH2+]C2CC2)[C@@H](CC)CO1 ZINC000404096609 971123656 /nfs/dbraw/zinc/12/36/56/971123656.db2.gz RWKAMOSWCLGDOE-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001257213654 971127409 /nfs/dbraw/zinc/12/74/09/971127409.db2.gz RQBXUXYZLMTLKC-VXGBXAGGSA-N 2 2 228.355 2.292 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001257213654 971127411 /nfs/dbraw/zinc/12/74/11/971127411.db2.gz RQBXUXYZLMTLKC-VXGBXAGGSA-N 2 2 228.355 2.292 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001257215047 971131395 /nfs/dbraw/zinc/13/13/95/971131395.db2.gz RQBXUXYZLMTLKC-NEPJUHHUSA-N 2 2 228.355 2.292 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001257215047 971131405 /nfs/dbraw/zinc/13/14/05/971131405.db2.gz RQBXUXYZLMTLKC-NEPJUHHUSA-N 2 2 228.355 2.292 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001257291990 971177622 /nfs/dbraw/zinc/17/76/22/971177622.db2.gz QYYUVZGLVCOJSL-LBPRGKRZSA-N 2 2 210.365 2.391 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001257291990 971177626 /nfs/dbraw/zinc/17/76/26/971177626.db2.gz QYYUVZGLVCOJSL-LBPRGKRZSA-N 2 2 210.365 2.391 20 0 BEADLP CCC(CC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257303967 971194310 /nfs/dbraw/zinc/19/43/10/971194310.db2.gz WAPTUQXMKHOENY-WCQYABFASA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257303967 971194315 /nfs/dbraw/zinc/19/43/15/971194315.db2.gz WAPTUQXMKHOENY-WCQYABFASA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257303967 971194320 /nfs/dbraw/zinc/19/43/20/971194320.db2.gz WAPTUQXMKHOENY-WCQYABFASA-N 2 2 210.365 2.201 20 0 BEADLP CCC(CC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257303967 971194324 /nfs/dbraw/zinc/19/43/24/971194324.db2.gz WAPTUQXMKHOENY-WCQYABFASA-N 2 2 210.365 2.201 20 0 BEADLP CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001257324855 971226086 /nfs/dbraw/zinc/22/60/86/971226086.db2.gz VFCZDOYDGITVNB-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001257324855 971226091 /nfs/dbraw/zinc/22/60/91/971226091.db2.gz VFCZDOYDGITVNB-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001257324855 971226099 /nfs/dbraw/zinc/22/60/99/971226099.db2.gz VFCZDOYDGITVNB-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001257324855 971226105 /nfs/dbraw/zinc/22/61/05/971226105.db2.gz VFCZDOYDGITVNB-XQQFMLRXSA-N 2 2 210.365 2.344 20 0 BEADLP C[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000308446747 971241671 /nfs/dbraw/zinc/24/16/71/971241671.db2.gz AWPGGPJTOSEXHF-ZWNOBZJWSA-N 2 2 238.762 2.162 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000308446747 971241682 /nfs/dbraw/zinc/24/16/82/971241682.db2.gz AWPGGPJTOSEXHF-ZWNOBZJWSA-N 2 2 238.762 2.162 20 0 BEADLP CC1(C)[C@@H]2C[C@@H]([NH2+]CCCn3cc[nH+]c3)C[C@@H]21 ZINC001170709023 971605669 /nfs/dbraw/zinc/60/56/69/971605669.db2.gz APPWBVOZHWOOBA-XYYAHUGASA-N 2 2 233.359 2.297 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170713470 971625167 /nfs/dbraw/zinc/62/51/67/971625167.db2.gz OKHQRGVMKXHYCW-FQUUOJAGSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170713470 971625172 /nfs/dbraw/zinc/62/51/72/971625172.db2.gz OKHQRGVMKXHYCW-FQUUOJAGSA-N 2 2 236.403 2.495 20 0 BEADLP CC1(C)[C@@H]2C[C@H]([NH2+]CC[NH+]3CCCC3)C[C@@H]21 ZINC001170717789 971642708 /nfs/dbraw/zinc/64/27/08/971642708.db2.gz XKSJWIATMWRDHI-CLLJXQQHSA-N 2 2 222.376 2.106 20 0 BEADLP CC1(C)[C@@H]2C[C@@H]([NH2+]CC[NH+]3CCCC3)C[C@@H]21 ZINC001170717790 971642900 /nfs/dbraw/zinc/64/29/00/971642900.db2.gz XKSJWIATMWRDHI-XYYAHUGASA-N 2 2 222.376 2.106 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765688 971755437 /nfs/dbraw/zinc/75/54/37/971755437.db2.gz WHXFMCVTFZDUCA-UXXRCYHCSA-N 2 2 248.414 2.447 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765688 971755443 /nfs/dbraw/zinc/75/54/43/971755443.db2.gz WHXFMCVTFZDUCA-UXXRCYHCSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765688 971755445 /nfs/dbraw/zinc/75/54/45/971755445.db2.gz WHXFMCVTFZDUCA-UXXRCYHCSA-N 2 2 248.414 2.447 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@H]21 ZINC001170765688 971755454 /nfs/dbraw/zinc/75/54/54/971755454.db2.gz WHXFMCVTFZDUCA-UXXRCYHCSA-N 2 2 248.414 2.447 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001172319838 974529301 /nfs/dbraw/zinc/52/93/01/974529301.db2.gz TZUZKHXVZQHODN-NWDGAFQWSA-N 2 2 239.363 2.151 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001172319837 974531365 /nfs/dbraw/zinc/53/13/65/974531365.db2.gz TZUZKHXVZQHODN-NEPJUHHUSA-N 2 2 239.363 2.151 20 0 BEADLP c1cn([C@@H]2CCCOCC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001170832294 971944239 /nfs/dbraw/zinc/94/42/39/971944239.db2.gz WYFKINRRXIIKMV-QWHCGFSZSA-N 2 2 249.358 2.092 20 0 BEADLP CC(C)Oc1cc(NCC[C@@H](C)[NH3+])cc[nH+]1 ZINC001170891140 972044786 /nfs/dbraw/zinc/04/47/86/972044786.db2.gz PMIYDHCZZCKCKL-SNVBAGLBSA-N 2 2 223.320 2.018 20 0 BEADLP CCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246088838 972143169 /nfs/dbraw/zinc/14/31/69/972143169.db2.gz XXEKPPLVSDIEGI-TYUFSLCMSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(N)c1 ZINC001246174623 972206283 /nfs/dbraw/zinc/20/62/83/972206283.db2.gz FROGZRUOEPHWDF-SMDDNHRTSA-N 2 2 233.359 2.062 20 0 BEADLP CC(C)CCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208736744 957153462 /nfs/dbraw/zinc/15/34/62/957153462.db2.gz NBIOKIUPBXFSTQ-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208736744 957153477 /nfs/dbraw/zinc/15/34/77/957153477.db2.gz NBIOKIUPBXFSTQ-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208736744 957153485 /nfs/dbraw/zinc/15/34/85/957153485.db2.gz NBIOKIUPBXFSTQ-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)CCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208736744 957153488 /nfs/dbraw/zinc/15/34/88/957153488.db2.gz NBIOKIUPBXFSTQ-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CCCCC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246288661 972260064 /nfs/dbraw/zinc/26/00/64/972260064.db2.gz BPWOSZXEFHUYBV-RDBSUJKOSA-N 2 2 242.407 2.312 20 0 BEADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001209730624 957530300 /nfs/dbraw/zinc/53/03/00/957530300.db2.gz HJTMDUBPYORCCT-HNNXBMFYSA-N 2 2 239.322 2.441 20 0 BEADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001209730624 957530307 /nfs/dbraw/zinc/53/03/07/957530307.db2.gz HJTMDUBPYORCCT-HNNXBMFYSA-N 2 2 239.322 2.441 20 0 BEADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC2)CC1 ZINC000706360491 957794155 /nfs/dbraw/zinc/79/41/55/957794155.db2.gz QXKNBSFENIBLOB-OAHLLOKOSA-N 2 2 244.382 2.432 20 0 BEADLP Cn1c[nH+]cc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001211248235 958113839 /nfs/dbraw/zinc/11/38/39/958113839.db2.gz KIWRGIJQVLZFSI-UHFFFAOYSA-N 2 2 239.282 2.349 20 0 BEADLP COc1c[nH+]ccc1Nc1c[nH+]c(C)cc1C ZINC001211259841 958124639 /nfs/dbraw/zinc/12/46/39/958124639.db2.gz JUZDHMKSXNXVKZ-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)CCc2cccs2)C[NH2+]1 ZINC000398983360 958475282 /nfs/dbraw/zinc/47/52/82/958475282.db2.gz GZQPIKSYMXATID-RYUDHWBXSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)CCc2cccs2)C[NH2+]1 ZINC000398983360 958475295 /nfs/dbraw/zinc/47/52/95/958475295.db2.gz GZQPIKSYMXATID-RYUDHWBXSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399004263 958483640 /nfs/dbraw/zinc/48/36/40/958483640.db2.gz VXSOUWSOVDGRRA-QWRGUYRKSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccccc2)C[NH2+]1 ZINC000399133934 958535393 /nfs/dbraw/zinc/53/53/93/958535393.db2.gz PIRZHRNBMZNOKF-BEAPCOKYSA-N 2 2 230.355 2.273 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399230104 958573758 /nfs/dbraw/zinc/57/37/58/958573758.db2.gz OXJOXILHQWHIMA-BZPMIXESSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246526826 972396877 /nfs/dbraw/zinc/39/68/77/972396877.db2.gz BUTATDPEAJJRNS-JSGCOSHPSA-N 2 2 248.395 2.127 20 0 BEADLP C[C@]1([NH3+])CC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001246526826 972396889 /nfs/dbraw/zinc/39/68/89/972396889.db2.gz BUTATDPEAJJRNS-JSGCOSHPSA-N 2 2 248.395 2.127 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246526837 972399362 /nfs/dbraw/zinc/39/93/62/972399362.db2.gz BUTATDPEAJJRNS-TZMCWYRMSA-N 2 2 248.395 2.127 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001246526837 972399371 /nfs/dbraw/zinc/39/93/71/972399371.db2.gz BUTATDPEAJJRNS-TZMCWYRMSA-N 2 2 248.395 2.127 20 0 BEADLP COc1cccc(C[C@H](C)[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001246528727 972427512 /nfs/dbraw/zinc/42/75/12/972427512.db2.gz HHHCQOYZUNTFAQ-WFASDCNBSA-N 2 2 248.370 2.049 20 0 BEADLP COc1cccc(C[C@H](C)[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001246528727 972427521 /nfs/dbraw/zinc/42/75/21/972427521.db2.gz HHHCQOYZUNTFAQ-WFASDCNBSA-N 2 2 248.370 2.049 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693849146 959436139 /nfs/dbraw/zinc/43/61/39/959436139.db2.gz AEQYFAGYPLYYRP-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693849146 959436149 /nfs/dbraw/zinc/43/61/49/959436149.db2.gz AEQYFAGYPLYYRP-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP c1c[nH+]c(-c2ccc(O[C@@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC001218284977 959948966 /nfs/dbraw/zinc/94/89/66/959948966.db2.gz DRZGFZWBMDWFBE-CYBMUJFWSA-N 2 2 243.310 2.208 20 0 BEADLP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000164937296 960103226 /nfs/dbraw/zinc/10/32/26/960103226.db2.gz KDWJZXNHQCXEQP-ZDUSSCGKSA-N 2 2 204.317 2.172 20 0 BEADLP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000164937296 960103237 /nfs/dbraw/zinc/10/32/37/960103237.db2.gz KDWJZXNHQCXEQP-ZDUSSCGKSA-N 2 2 204.317 2.172 20 0 BEADLP C[NH2+]CCNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001167724082 960235901 /nfs/dbraw/zinc/23/59/01/960235901.db2.gz HGSPTOIZJQXBPH-UHFFFAOYSA-N 2 2 245.370 2.017 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925522605 960267616 /nfs/dbraw/zinc/26/76/16/960267616.db2.gz NUMZNZCIMJJXAX-CQSZACIVSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000310357873 960436385 /nfs/dbraw/zinc/43/63/85/960436385.db2.gz RLEYYUOPAJAXCP-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000695768925 960445552 /nfs/dbraw/zinc/44/55/52/960445552.db2.gz CUYMFGPCQHFXGX-GFCCVEGCSA-N 2 2 219.332 2.196 20 0 BEADLP FC[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806669 960602316 /nfs/dbraw/zinc/60/23/16/960602316.db2.gz NNBKIVFAIVBKKW-LLVKDONJSA-N 2 2 233.290 2.497 20 0 BEADLP FC[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140806669 960602326 /nfs/dbraw/zinc/60/23/26/960602326.db2.gz NNBKIVFAIVBKKW-LLVKDONJSA-N 2 2 233.290 2.497 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC001172435350 974675150 /nfs/dbraw/zinc/67/51/50/974675150.db2.gz CFPIMCXOYCCKHU-UONOGXRCSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC001172435350 974675154 /nfs/dbraw/zinc/67/51/54/974675154.db2.gz CFPIMCXOYCCKHU-UONOGXRCSA-N 2 2 242.407 2.262 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]12 ZINC001167914090 961092184 /nfs/dbraw/zinc/09/21/84/961092184.db2.gz SOSVIFDZSPZJRA-XJFOESAGSA-N 2 2 234.387 2.391 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C[C@H]12 ZINC001167914090 961092206 /nfs/dbraw/zinc/09/22/06/961092206.db2.gz SOSVIFDZSPZJRA-XJFOESAGSA-N 2 2 234.387 2.391 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167892895 961501028 /nfs/dbraw/zinc/50/10/28/961501028.db2.gz BYORGIYOHYVOHH-CLLJXQQHSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167892895 961501041 /nfs/dbraw/zinc/50/10/41/961501041.db2.gz BYORGIYOHYVOHH-CLLJXQQHSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167892896 961503207 /nfs/dbraw/zinc/50/32/07/961503207.db2.gz BYORGIYOHYVOHH-ITGUQSILSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167892896 961503222 /nfs/dbraw/zinc/50/32/22/961503222.db2.gz BYORGIYOHYVOHH-ITGUQSILSA-N 2 2 210.365 2.106 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167894572 961511779 /nfs/dbraw/zinc/51/17/79/961511779.db2.gz OUPRKEFDVRIRPR-WDNDVIMCSA-N 2 2 222.376 2.251 20 0 BEADLP Cc1nc(NCC[C@@H](C)[NH3+])cc(C(C)C)[nH+]1 ZINC000709829898 961683290 /nfs/dbraw/zinc/68/32/90/961683290.db2.gz HKXXEEQMSDLMMQ-SECBINFHSA-N 2 2 222.336 2.058 20 0 BEADLP F[C@@H]1C[N@H+](Cc2ccc3[nH+]ccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021973 961867267 /nfs/dbraw/zinc/86/72/67/961867267.db2.gz JEHUHOWKMFLJGQ-RWMBFGLXSA-N 2 2 245.301 2.124 20 0 BEADLP F[C@@H]1C[N@@H+](Cc2ccc3[nH+]ccn3c2)C[C@@H]2C[C@@H]21 ZINC001143021973 961867276 /nfs/dbraw/zinc/86/72/76/961867276.db2.gz JEHUHOWKMFLJGQ-RWMBFGLXSA-N 2 2 245.301 2.124 20 0 BEADLP CC(C)c1ccc(N(C)C2CC[NH2+]CC2)[nH+]c1 ZINC001156175840 963276210 /nfs/dbraw/zinc/27/62/10/963276210.db2.gz NMUYAVDKBFERDD-UHFFFAOYSA-N 2 2 233.359 2.393 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001204771439 963403400 /nfs/dbraw/zinc/40/34/00/963403400.db2.gz NDRYJTZHBCOYJP-AWEZNQCLSA-N 2 2 229.327 2.091 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC001204771439 963403413 /nfs/dbraw/zinc/40/34/13/963403413.db2.gz NDRYJTZHBCOYJP-AWEZNQCLSA-N 2 2 229.327 2.091 20 0 BEADLP CCC1(Nc2cc(C(C)C)[nH+]c(C)n2)C[NH2+]C1 ZINC001157777910 963723163 /nfs/dbraw/zinc/72/31/63/963723163.db2.gz ZDIUDXPZCHVNJF-UHFFFAOYSA-N 2 2 234.347 2.072 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001204810693 963804401 /nfs/dbraw/zinc/80/44/01/963804401.db2.gz YNTFNISVJMZPLN-AWEZNQCLSA-N 2 2 247.317 2.230 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001204810693 963804406 /nfs/dbraw/zinc/80/44/06/963804406.db2.gz YNTFNISVJMZPLN-AWEZNQCLSA-N 2 2 247.317 2.230 20 0 BEADLP CC(C)c1ccc(N2CC3(C2)CCC[NH2+]C3)[nH+]c1 ZINC001159025124 963975511 /nfs/dbraw/zinc/97/55/11/963975511.db2.gz HTQBZFMDPMGDDM-UHFFFAOYSA-N 2 2 245.370 2.395 20 0 BEADLP Cc1cc[nH+]c(C)c1NC1=C[NH2+]CCC1 ZINC001159203610 964015446 /nfs/dbraw/zinc/01/54/46/964015446.db2.gz GFFUZDKUETVHSQ-UHFFFAOYSA-N 2 2 203.289 2.335 20 0 BEADLP Clc1cc(NC2=CCC[NH2+]C2)cn2cc[nH+]c12 ZINC001159265594 964041859 /nfs/dbraw/zinc/04/18/59/964041859.db2.gz AKZIKEUYZAMUBT-UHFFFAOYSA-N 2 2 248.717 2.277 20 0 BEADLP COc1cc(NC2=CCC[NH2+]CC2)c(C)c[nH+]1 ZINC001159416278 964081417 /nfs/dbraw/zinc/08/14/17/964081417.db2.gz RBJOHOSHQNPKKG-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccncc1 ZINC001256715837 1169834645 /nfs/dbraw/zinc/83/46/45/1169834645.db2.gz IJZYYPMBLNJORG-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccncc1 ZINC001256715837 1169834652 /nfs/dbraw/zinc/83/46/52/1169834652.db2.gz IJZYYPMBLNJORG-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccncc1 ZINC001256715840 1169835390 /nfs/dbraw/zinc/83/53/90/1169835390.db2.gz IJZYYPMBLNJORG-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccncc1 ZINC001256715840 1169835396 /nfs/dbraw/zinc/83/53/96/1169835396.db2.gz IJZYYPMBLNJORG-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccncc1)[NH2+]CC[NH+]1CCCCC1 ZINC001256715616 1169836306 /nfs/dbraw/zinc/83/63/06/1169836306.db2.gz DTVMJGCHLYYWMV-AWEZNQCLSA-N 2 2 247.386 2.088 20 0 BEADLP COC(=[NH2+])c1cccc(NC2C[NH+](C(C)C)C2)c1 ZINC001168313809 964417237 /nfs/dbraw/zinc/41/72/37/964417237.db2.gz FCNRMPOOONUCFR-UHFFFAOYSA-N 2 2 247.342 2.163 20 0 BEADLP Cc1[nH+]cccc1NCCCC[NH+](C)C ZINC001161730476 964719334 /nfs/dbraw/zinc/71/93/34/964719334.db2.gz FEZQZLKEKPYYKG-UHFFFAOYSA-N 2 2 207.321 2.144 20 0 BEADLP CSCc1ccc(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]c1 ZINC001162332282 964935445 /nfs/dbraw/zinc/93/54/45/964935445.db2.gz YHLIKGICLZWLBY-KLPPZKSPSA-N 2 2 237.372 2.236 20 0 BEADLP CCOc1cc[nH+]c(N[C@@]2(C)CCC[N@H+](C)C2)c1 ZINC001162340827 964940003 /nfs/dbraw/zinc/94/00/03/964940003.db2.gz GUMNLCJQUOIRIJ-AWEZNQCLSA-N 2 2 249.358 2.377 20 0 BEADLP CCOc1cc[nH+]c(N[C@@]2(C)CCC[N@@H+](C)C2)c1 ZINC001162340827 964940008 /nfs/dbraw/zinc/94/00/08/964940008.db2.gz GUMNLCJQUOIRIJ-AWEZNQCLSA-N 2 2 249.358 2.377 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H](Nc2ccn3cc[nH+]c3c2)C1 ZINC001162396586 964957346 /nfs/dbraw/zinc/95/73/46/964957346.db2.gz LUHQMLXRSYUVPT-GHMZBOCLSA-N 2 2 230.315 2.016 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001162524039 965001962 /nfs/dbraw/zinc/00/19/62/965001962.db2.gz JSVSQPUSXZBPIJ-XOIHBREOSA-N 2 2 209.337 2.460 20 0 BEADLP Cc1cc2cc(NC[C@H]3C[NH2+][C@H](C)C3)[nH+]cc2[nH]1 ZINC001162552905 965045562 /nfs/dbraw/zinc/04/55/62/965045562.db2.gz RUJXTQWFYNQXBP-MWLCHTKSSA-N 2 2 244.342 2.281 20 0 BEADLP CC(C)Oc1cc(NC[C@H]2C[NH2+][C@H](C)C2)cc[nH+]1 ZINC001162557116 965047397 /nfs/dbraw/zinc/04/73/97/965047397.db2.gz AWTOIUCMAPSGEG-VXGBXAGGSA-N 2 2 249.358 2.279 20 0 BEADLP c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]c1 ZINC001162796112 965182817 /nfs/dbraw/zinc/18/28/17/965182817.db2.gz VIEDKEAFVYLAAR-UHFFFAOYSA-N 2 2 239.322 2.339 20 0 BEADLP Cc1cc(NCC2([NH3+])CCC2)nc(C(C)(C)C)[nH+]1 ZINC001163328118 965333256 /nfs/dbraw/zinc/33/32/56/965333256.db2.gz HUCQMSVFIOIOOH-UHFFFAOYSA-N 2 2 248.374 2.376 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205069025 965427957 /nfs/dbraw/zinc/42/79/57/965427957.db2.gz RXMZYBMCHKXQRF-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205069025 965427962 /nfs/dbraw/zinc/42/79/62/965427962.db2.gz RXMZYBMCHKXQRF-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H](C[NH+](C)C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001163776889 965581788 /nfs/dbraw/zinc/58/17/88/965581788.db2.gz NYXWMRLVWUWJQJ-GFCCVEGCSA-N 2 2 248.374 2.044 20 0 BEADLP CC[NH+](CC)c1ccc(C)c(N2CC[C@@H]([NH3+])C2)c1 ZINC001164289560 965833965 /nfs/dbraw/zinc/83/39/65/965833965.db2.gz ZMGCLGBOUIUTFZ-CYBMUJFWSA-N 2 2 247.386 2.379 20 0 BEADLP CC(C)c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]c1 ZINC001165153009 965977699 /nfs/dbraw/zinc/97/76/99/965977699.db2.gz VFQLPIZNZWELGJ-OKILXGFUSA-N 2 2 245.370 2.203 20 0 BEADLP CC(C)c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]c1 ZINC001165153009 965977717 /nfs/dbraw/zinc/97/77/17/965977717.db2.gz VFQLPIZNZWELGJ-OKILXGFUSA-N 2 2 245.370 2.203 20 0 BEADLP [NH3+]CC1(F)CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001165264093 966014837 /nfs/dbraw/zinc/01/48/37/966014837.db2.gz PXFJNAVTSRMSPK-UHFFFAOYSA-N 2 2 249.333 2.226 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCC1CCCCC1)C2 ZINC001235167423 966022804 /nfs/dbraw/zinc/02/28/04/966022804.db2.gz ZQEZLNDOYLKKRU-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCC1CCCCC1)C2 ZINC001235167423 966022811 /nfs/dbraw/zinc/02/28/11/966022811.db2.gz ZQEZLNDOYLKKRU-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP Cc1[nH+]cc2n1CCN(c1cc(C)c(C)c[nH+]1)C2 ZINC001165385085 966077612 /nfs/dbraw/zinc/07/76/12/966077612.db2.gz NESDMZFYICWUOP-UHFFFAOYSA-N 2 2 242.326 2.224 20 0 BEADLP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235978112 966192216 /nfs/dbraw/zinc/19/22/16/966192216.db2.gz ISCRMKAYWMBMBD-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235978112 966192226 /nfs/dbraw/zinc/19/22/26/966192226.db2.gz ISCRMKAYWMBMBD-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](CCCc1ccccc1F)C2 ZINC001235980499 966196487 /nfs/dbraw/zinc/19/64/87/966196487.db2.gz PSCGMKQKIQVFFI-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](CCCc1ccccc1F)C2 ZINC001235980499 966196506 /nfs/dbraw/zinc/19/65/06/966196506.db2.gz PSCGMKQKIQVFFI-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP CCCOc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206712301 966262075 /nfs/dbraw/zinc/26/20/75/966262075.db2.gz ZPRWREHNBUWQQP-UHFFFAOYSA-N 2 2 248.370 2.256 20 0 BEADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@H]([NH3+])C2)o1 ZINC001236169588 966281799 /nfs/dbraw/zinc/28/17/99/966281799.db2.gz LDKNVWWAUOOSST-ZYHUDNBSSA-N 2 2 222.332 2.115 20 0 BEADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]([NH3+])C2)o1 ZINC001236169588 966281811 /nfs/dbraw/zinc/28/18/11/966281811.db2.gz LDKNVWWAUOOSST-ZYHUDNBSSA-N 2 2 222.332 2.115 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001206718657 966422168 /nfs/dbraw/zinc/42/21/68/966422168.db2.gz YAPMUKPODVOOGP-UHFFFAOYSA-N 2 2 241.338 2.015 20 0 BEADLP CN(C[C@@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)c[nH+]1 ZINC001166960770 966487468 /nfs/dbraw/zinc/48/74/68/966487468.db2.gz SXSZABKZAQGMMR-GFCCVEGCSA-N 2 2 247.386 2.425 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC001236866122 966602266 /nfs/dbraw/zinc/60/22/66/966602266.db2.gz STFRUIVMNSEMRX-LBPRGKRZSA-N 2 2 224.323 2.303 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC001236866122 966602274 /nfs/dbraw/zinc/60/22/74/966602274.db2.gz STFRUIVMNSEMRX-LBPRGKRZSA-N 2 2 224.323 2.303 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)CCCN2 ZINC001236870502 966605278 /nfs/dbraw/zinc/60/52/78/966605278.db2.gz SDRRIAAHUKIBKO-AWEZNQCLSA-N 2 2 247.386 2.214 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)CCCN2 ZINC001236870502 966605282 /nfs/dbraw/zinc/60/52/82/966605282.db2.gz SDRRIAAHUKIBKO-AWEZNQCLSA-N 2 2 247.386 2.214 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001204002463 966844161 /nfs/dbraw/zinc/84/41/61/966844161.db2.gz OAOHVWWLLIUGQK-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001204002463 966844163 /nfs/dbraw/zinc/84/41/63/966844163.db2.gz OAOHVWWLLIUGQK-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH+]1CC2(C1)CC[N@H+](C)C2)c1ccccc1 ZINC001276435796 966858095 /nfs/dbraw/zinc/85/80/95/966858095.db2.gz MMNLEFSNTLFKLF-AWEZNQCLSA-N 2 2 244.382 2.428 20 0 BEADLP C[C@@H](C[NH+]1CC2(C1)CC[N@@H+](C)C2)c1ccccc1 ZINC001276435796 966858099 /nfs/dbraw/zinc/85/80/99/966858099.db2.gz MMNLEFSNTLFKLF-AWEZNQCLSA-N 2 2 244.382 2.428 20 0 BEADLP Cc1cn2cc(Nc3ccc[nH+]c3N)ccc2[nH+]1 ZINC001212395539 967025171 /nfs/dbraw/zinc/02/51/71/967025171.db2.gz RQXMFARSBRUEMM-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP Cc1cc(Nc2ccc3[nH+]ccn3c2)c[nH+]c1N ZINC001249781273 967054426 /nfs/dbraw/zinc/05/44/26/967054426.db2.gz AIZXBZQHDBVWKO-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP CNc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204933363 967239136 /nfs/dbraw/zinc/23/91/36/967239136.db2.gz SIZHDSYXFAYLDX-AWEZNQCLSA-N 2 2 233.359 2.042 20 0 BEADLP CNc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204933363 967239147 /nfs/dbraw/zinc/23/91/47/967239147.db2.gz SIZHDSYXFAYLDX-AWEZNQCLSA-N 2 2 233.359 2.042 20 0 BEADLP CNc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204933365 967241622 /nfs/dbraw/zinc/24/16/22/967241622.db2.gz SIZHDSYXFAYLDX-CQSZACIVSA-N 2 2 233.359 2.042 20 0 BEADLP CNc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204933365 967241631 /nfs/dbraw/zinc/24/16/31/967241631.db2.gz SIZHDSYXFAYLDX-CQSZACIVSA-N 2 2 233.359 2.042 20 0 BEADLP Cc1nc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205064107 967319631 /nfs/dbraw/zinc/31/96/31/967319631.db2.gz HZLFEIYMEGOZPF-KWQFWETISA-N 2 2 239.388 2.072 20 0 BEADLP Cc1nc(C)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205064107 967319645 /nfs/dbraw/zinc/31/96/45/967319645.db2.gz HZLFEIYMEGOZPF-KWQFWETISA-N 2 2 239.388 2.072 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])oc1C ZINC001205064494 967320981 /nfs/dbraw/zinc/32/09/81/967320981.db2.gz QOKDAXJREWMHQE-JQWIXIFHSA-N 2 2 222.332 2.208 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])oc1C ZINC001205064494 967320994 /nfs/dbraw/zinc/32/09/94/967320994.db2.gz QOKDAXJREWMHQE-JQWIXIFHSA-N 2 2 222.332 2.208 20 0 BEADLP Cc1cccc(F)c1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205082828 967332743 /nfs/dbraw/zinc/33/27/43/967332743.db2.gz KIIKOWRHBQYVAJ-RYUDHWBXSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1cccc(F)c1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205082828 967332749 /nfs/dbraw/zinc/33/27/49/967332749.db2.gz KIIKOWRHBQYVAJ-RYUDHWBXSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1cc(O)cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205082651 967334900 /nfs/dbraw/zinc/33/49/00/967334900.db2.gz HSMLZZKRTKVFGU-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP Cc1cc(O)cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205082651 967334906 /nfs/dbraw/zinc/33/49/06/967334906.db2.gz HSMLZZKRTKVFGU-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccnc2Cl)CC1 ZINC001205102911 967343478 /nfs/dbraw/zinc/34/34/78/967343478.db2.gz WFMFNCNVCSKMHJ-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccnc2Cl)CC1 ZINC001205102911 967343492 /nfs/dbraw/zinc/34/34/92/967343492.db2.gz WFMFNCNVCSKMHJ-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(Cl)ccn2)CC1 ZINC001205102225 967347951 /nfs/dbraw/zinc/34/79/51/967347951.db2.gz QDBVGVBDMKDDHJ-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)CC1 ZINC001205102225 967347965 /nfs/dbraw/zinc/34/79/65/967347965.db2.gz QDBVGVBDMKDDHJ-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2cccnc2c1 ZINC001205182728 967415931 /nfs/dbraw/zinc/41/59/31/967415931.db2.gz JIVORJJYJKIJJB-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2cccnc2c1 ZINC001205182728 967415941 /nfs/dbraw/zinc/41/59/41/967415941.db2.gz JIVORJJYJKIJJB-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1 ZINC001205182679 967416039 /nfs/dbraw/zinc/41/60/39/967416039.db2.gz HVSVKTPSTBACQJ-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(C)c1 ZINC001205182679 967416056 /nfs/dbraw/zinc/41/60/56/967416056.db2.gz HVSVKTPSTBACQJ-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001162385834 967820168 /nfs/dbraw/zinc/82/01/68/967820168.db2.gz RQWFJGZBEWWDKG-GHMZBOCLSA-N 2 2 230.315 2.245 20 0 BEADLP Cc1c[nH+]cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC001162403107 967828609 /nfs/dbraw/zinc/82/86/09/967828609.db2.gz XYHOWXRPFBQBLX-VXGBXAGGSA-N 2 2 219.332 2.380 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccsc2)C1 ZINC001205806660 967830807 /nfs/dbraw/zinc/83/08/07/967830807.db2.gz VDQDJFJEYQOZRT-PWSUYJOCSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccsc2)C1 ZINC001205806660 967830810 /nfs/dbraw/zinc/83/08/10/967830810.db2.gz VDQDJFJEYQOZRT-PWSUYJOCSA-N 2 2 224.373 2.307 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cn1 ZINC001205838313 967847408 /nfs/dbraw/zinc/84/74/08/967847408.db2.gz CAEUYGPRMMWLHM-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cn1 ZINC001205838313 967847412 /nfs/dbraw/zinc/84/74/12/967847412.db2.gz CAEUYGPRMMWLHM-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(O)cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205838132 967848431 /nfs/dbraw/zinc/84/84/31/967848431.db2.gz AYYGTSSYUOZTRY-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1cc(O)cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205838132 967848432 /nfs/dbraw/zinc/84/84/32/967848432.db2.gz AYYGTSSYUOZTRY-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC001205873211 967867939 /nfs/dbraw/zinc/86/79/39/967867939.db2.gz YWWOMEZCUOQSHF-ABAIWWIYSA-N 2 2 248.370 2.173 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)c1 ZINC001205873211 967867940 /nfs/dbraw/zinc/86/79/40/967867940.db2.gz YWWOMEZCUOQSHF-ABAIWWIYSA-N 2 2 248.370 2.173 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711191635 967999345 /nfs/dbraw/zinc/99/93/45/967999345.db2.gz GNDALDZBRCDPSF-RVMXOQNASA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2c1 ZINC001206053210 968018488 /nfs/dbraw/zinc/01/84/88/968018488.db2.gz NPVYZRLVVORMHJ-BXUZGUMPSA-N 2 2 243.354 2.255 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2c1 ZINC001206053210 968018494 /nfs/dbraw/zinc/01/84/94/968018494.db2.gz NPVYZRLVVORMHJ-BXUZGUMPSA-N 2 2 243.354 2.255 20 0 BEADLP COc1cc2[nH+]c(C3CC[NH2+]CC3)[nH]c2cc1C ZINC001250549295 968053008 /nfs/dbraw/zinc/05/30/08/968053008.db2.gz VLYWTBGCCQQOLL-UHFFFAOYSA-N 2 2 245.326 2.347 20 0 BEADLP CS[C@H](C)CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334966 968240802 /nfs/dbraw/zinc/24/08/02/968240802.db2.gz BIVFUTXTSFMPHV-VXGBXAGGSA-N 2 2 248.411 2.281 20 0 BEADLP CS[C@H](C)CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334966 968240818 /nfs/dbraw/zinc/24/08/18/968240818.db2.gz BIVFUTXTSFMPHV-VXGBXAGGSA-N 2 2 248.411 2.281 20 0 BEADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2nccs2)C1 ZINC001206549338 968377526 /nfs/dbraw/zinc/37/75/26/968377526.db2.gz LQWDENOSQMIUAY-GFCCVEGCSA-N 2 2 239.388 2.094 20 0 BEADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2nccs2)C1 ZINC001206549338 968377532 /nfs/dbraw/zinc/37/75/32/968377532.db2.gz LQWDENOSQMIUAY-GFCCVEGCSA-N 2 2 239.388 2.094 20 0 BEADLP CCOc1ccc(C)c(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206744970 968452002 /nfs/dbraw/zinc/45/20/02/968452002.db2.gz MCGILDZPKXXLQY-UHFFFAOYSA-N 2 2 248.370 2.174 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001206743585 968452245 /nfs/dbraw/zinc/45/22/45/968452245.db2.gz APGOXIPMDQPTCS-UHFFFAOYSA-N 2 2 247.317 2.088 20 0 BEADLP CC[N@H+](Cc1cccnc1)CC(C)(C)C[NH+](C)C ZINC001207285206 968714971 /nfs/dbraw/zinc/71/49/71/968714971.db2.gz DARLLQZFAHNAQN-UHFFFAOYSA-N 2 2 249.402 2.491 20 0 BEADLP CC[N@@H+](Cc1cccnc1)CC(C)(C)C[NH+](C)C ZINC001207285206 968714974 /nfs/dbraw/zinc/71/49/74/968714974.db2.gz DARLLQZFAHNAQN-UHFFFAOYSA-N 2 2 249.402 2.491 20 0 BEADLP COc1cc2[nH+]ccn2cc1C=C1CC[NH2+]CC1 ZINC001240878898 968790523 /nfs/dbraw/zinc/79/05/23/968790523.db2.gz TVAQIOHSKISXOI-UHFFFAOYSA-N 2 2 243.310 2.110 20 0 BEADLP C[NH+]1CCC(CC[N@@H+]2CCC(F)(F)C2)CC1 ZINC001207479444 968794175 /nfs/dbraw/zinc/79/41/75/968794175.db2.gz IZKWQWJMSIJVHG-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP C[NH+]1CCC(CC[N@H+]2CCC(F)(F)C2)CC1 ZINC001207479444 968794186 /nfs/dbraw/zinc/79/41/86/968794186.db2.gz IZKWQWJMSIJVHG-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP COc1cc(NC2=CC[N@H+](C)CC2)cc(C)[nH+]1 ZINC001208795041 969243256 /nfs/dbraw/zinc/24/32/56/969243256.db2.gz VNAZOJUOCAKTHD-UHFFFAOYSA-N 2 2 233.315 2.030 20 0 BEADLP COc1cc(NC2=CC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC001208795041 969243262 /nfs/dbraw/zinc/24/32/62/969243262.db2.gz VNAZOJUOCAKTHD-UHFFFAOYSA-N 2 2 233.315 2.030 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC001169081539 969404469 /nfs/dbraw/zinc/40/44/69/969404469.db2.gz STGOLWCVSSSBLK-CLLJXQQHSA-N 2 2 234.343 2.303 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC001169081539 969404472 /nfs/dbraw/zinc/40/44/72/969404472.db2.gz STGOLWCVSSSBLK-CLLJXQQHSA-N 2 2 234.343 2.303 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccncc3C1)C2 ZINC001169142319 969451790 /nfs/dbraw/zinc/45/17/90/969451790.db2.gz TUBQULHGCYYCIX-QDMKHBRRSA-N 2 2 243.354 2.022 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3ccncc3C1)C2 ZINC001169142319 969451796 /nfs/dbraw/zinc/45/17/96/969451796.db2.gz TUBQULHGCYYCIX-QDMKHBRRSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3ccncc3C1)C2 ZINC001169142319 969451800 /nfs/dbraw/zinc/45/18/00/969451800.db2.gz TUBQULHGCYYCIX-QDMKHBRRSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3ccncc3C1)C2 ZINC001169142319 969451804 /nfs/dbraw/zinc/45/18/04/969451804.db2.gz TUBQULHGCYYCIX-QDMKHBRRSA-N 2 2 243.354 2.022 20 0 BEADLP CC[NH+]1CCC([NH2+]C2(c3cccnc3)CC2)CC1 ZINC001169233087 969513260 /nfs/dbraw/zinc/51/32/60/969513260.db2.gz KAJULCFYERWPTK-UHFFFAOYSA-N 2 2 245.370 2.145 20 0 BEADLP Cc1cccc(C[N@@H+](C)Cc2c[nH+]ccc2N)c1 ZINC001209728867 969583021 /nfs/dbraw/zinc/58/30/21/969583021.db2.gz WTVWJASXXNQFAF-UHFFFAOYSA-N 2 2 241.338 2.435 20 0 BEADLP Cc1cccc(C[N@H+](C)Cc2c[nH+]ccc2N)c1 ZINC001209728867 969583026 /nfs/dbraw/zinc/58/30/26/969583026.db2.gz WTVWJASXXNQFAF-UHFFFAOYSA-N 2 2 241.338 2.435 20 0 BEADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254506703 969672787 /nfs/dbraw/zinc/67/27/87/969672787.db2.gz XXZRBKRXTNAMDS-QWHCGFSZSA-N 2 2 240.391 2.208 20 0 BEADLP CCCCC(=O)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254506703 969672790 /nfs/dbraw/zinc/67/27/90/969672790.db2.gz XXZRBKRXTNAMDS-QWHCGFSZSA-N 2 2 240.391 2.208 20 0 BEADLP Cc1cccc(Nc2c[nH+]c(N)cc2C)[nH+]1 ZINC001209961200 969721704 /nfs/dbraw/zinc/72/17/04/969721704.db2.gz DQJXKQDRJXMYMF-UHFFFAOYSA-N 2 2 214.272 2.419 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH+]2CCc3occc3C2)CC1 ZINC001254530406 969725669 /nfs/dbraw/zinc/72/56/69/969725669.db2.gz XMGQBUBGSGRHBE-CYBMUJFWSA-N 2 2 234.343 2.122 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH+]2CCc3occc3C2)CC1 ZINC001254530406 969725674 /nfs/dbraw/zinc/72/56/74/969725674.db2.gz XMGQBUBGSGRHBE-CYBMUJFWSA-N 2 2 234.343 2.122 20 0 BEADLP C[NH+]1CCC[C@@H]([N@@H+]2CCc3occc3C2)CC1 ZINC001254530406 969725681 /nfs/dbraw/zinc/72/56/81/969725681.db2.gz XMGQBUBGSGRHBE-CYBMUJFWSA-N 2 2 234.343 2.122 20 0 BEADLP C[NH+]1CCC[C@@H]([N@H+]2CCc3occc3C2)CC1 ZINC001254530406 969725689 /nfs/dbraw/zinc/72/56/89/969725689.db2.gz XMGQBUBGSGRHBE-CYBMUJFWSA-N 2 2 234.343 2.122 20 0 BEADLP Cc1cc(N)[nH+]cc1Nc1ccc2[nH+]ccn2c1 ZINC001209966964 969732327 /nfs/dbraw/zinc/73/23/27/969732327.db2.gz GEWZKXAXZOTAEZ-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP CCC(C)(C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254829415 969794469 /nfs/dbraw/zinc/79/44/69/969794469.db2.gz CJIHYZDQLQGHAK-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP FC1(F)CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833230 969796186 /nfs/dbraw/zinc/79/61/86/969796186.db2.gz NXGNGTZXJAEOLJ-NWDGAFQWSA-N 2 2 244.329 2.248 20 0 BEADLP CC(C)Oc1ccc[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC000166884361 969806826 /nfs/dbraw/zinc/80/68/26/969806826.db2.gz PJKDRWICWVIIGK-GFCCVEGCSA-N 2 2 249.358 2.423 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCC1 ZINC001254850515 969806786 /nfs/dbraw/zinc/80/67/86/969806786.db2.gz GXWTVDCMDUJRDR-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]cn(C2Cc3ccccc3C2)c1CC[NH3+] ZINC001255013334 969843820 /nfs/dbraw/zinc/84/38/20/969843820.db2.gz BLNHEJKREIIMSF-UHFFFAOYSA-N 2 2 241.338 2.033 20 0 BEADLP CC/C=C\CCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001210400864 969884244 /nfs/dbraw/zinc/88/42/44/969884244.db2.gz VBKFKKRGLCOPAG-VQTKUKTRSA-N 2 2 240.391 2.173 20 0 BEADLP CC/C=C\CCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001210400864 969884248 /nfs/dbraw/zinc/88/42/48/969884248.db2.gz VBKFKKRGLCOPAG-VQTKUKTRSA-N 2 2 240.391 2.173 20 0 BEADLP COc1c[nH+]ccc1Nc1cc(C)cc(C)[nH+]1 ZINC001211257250 970202970 /nfs/dbraw/zinc/20/29/70/970202970.db2.gz GNERQTKHNKBPED-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP Cc1[nH+]cn([C@H]2CC[C@@H](C)C2)c1CC[NH3+] ZINC001170098047 970268883 /nfs/dbraw/zinc/26/88/83/970268883.db2.gz KHZPGXGWLRRPPM-KOLCDFICSA-N 2 2 207.321 2.054 20 0 BEADLP Cc1[nH+]cc(Nc2c[nH+]cc(C)c2C)n1C ZINC001213528396 970353402 /nfs/dbraw/zinc/35/34/02/970353402.db2.gz CZHCGWRMCJMRJE-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1conc1C ZINC001255941567 970573227 /nfs/dbraw/zinc/57/32/27/970573227.db2.gz UFRDRKZXAXQDGR-NSHDSACASA-N 2 2 239.363 2.193 20 0 BEADLP C[Si](C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069242 970636337 /nfs/dbraw/zinc/63/63/37/970636337.db2.gz WTIIEWPZDXIHLO-UHFFFAOYSA-N 2 2 226.440 2.080 20 0 BEADLP C1CC1[NH+]1CCC([N@@H+]2CCCC23CC3)CC1 ZINC001256072330 970641734 /nfs/dbraw/zinc/64/17/34/970641734.db2.gz BNNNEBGNRAJSCA-UHFFFAOYSA-N 2 2 220.360 2.242 20 0 BEADLP C1CC1[NH+]1CCC([N@H+]2CCCC23CC3)CC1 ZINC001256072330 970641744 /nfs/dbraw/zinc/64/17/44/970641744.db2.gz BNNNEBGNRAJSCA-UHFFFAOYSA-N 2 2 220.360 2.242 20 0 BEADLP C[N@H+](Cc1cccnc1)C1CC[NH+](C2CC2)CC1 ZINC001256072361 970642813 /nfs/dbraw/zinc/64/28/13/970642813.db2.gz CORWWJBIDRMXFZ-UHFFFAOYSA-N 2 2 245.370 2.140 20 0 BEADLP C[N@@H+](Cc1cccnc1)C1CC[NH+](C2CC2)CC1 ZINC001256072361 970642821 /nfs/dbraw/zinc/64/28/21/970642821.db2.gz CORWWJBIDRMXFZ-UHFFFAOYSA-N 2 2 245.370 2.140 20 0 BEADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001256082315 970648396 /nfs/dbraw/zinc/64/83/96/970648396.db2.gz WEPCUTFSFKDMBQ-SMDDNHRTSA-N 2 2 220.360 2.098 20 0 BEADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001256082315 970648404 /nfs/dbraw/zinc/64/84/04/970648404.db2.gz WEPCUTFSFKDMBQ-SMDDNHRTSA-N 2 2 220.360 2.098 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+]1C1CC[NH+](C)CC1 ZINC001256201638 970685293 /nfs/dbraw/zinc/68/52/93/970685293.db2.gz JMYJVYYGUAZYRB-TXEJJXNPSA-N 2 2 210.365 2.344 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CC[NH+](C)CC1 ZINC001256201638 970685300 /nfs/dbraw/zinc/68/53/00/970685300.db2.gz JMYJVYYGUAZYRB-TXEJJXNPSA-N 2 2 210.365 2.344 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)n1 ZINC001256196840 970688678 /nfs/dbraw/zinc/68/86/78/970688678.db2.gz YXWHTRMPVFXHQK-LBPRGKRZSA-N 2 2 233.359 2.135 20 0 BEADLP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001256207344 970708186 /nfs/dbraw/zinc/70/81/86/970708186.db2.gz FNLVBRDAKALFDE-RYUDHWBXSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001256207344 970708196 /nfs/dbraw/zinc/70/81/96/970708196.db2.gz FNLVBRDAKALFDE-RYUDHWBXSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)[C@H]1C ZINC001256207230 970710795 /nfs/dbraw/zinc/71/07/95/970710795.db2.gz DAHXUSYAADEEHS-RYUDHWBXSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)[C@H]1C ZINC001256207230 970710808 /nfs/dbraw/zinc/71/08/08/970710808.db2.gz DAHXUSYAADEEHS-RYUDHWBXSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256211037 970719635 /nfs/dbraw/zinc/71/96/35/970719635.db2.gz QFUCFJVSAVNRHH-ZDUSSCGKSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256211037 970719643 /nfs/dbraw/zinc/71/96/43/970719643.db2.gz QFUCFJVSAVNRHH-ZDUSSCGKSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246551558 972729665 /nfs/dbraw/zinc/72/96/65/972729665.db2.gz ZZTAKSUSXZJTHR-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246551558 972729677 /nfs/dbraw/zinc/72/96/77/972729677.db2.gz ZZTAKSUSXZJTHR-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570131 972836448 /nfs/dbraw/zinc/83/64/48/972836448.db2.gz SWSYFBWNQJQSDD-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)C(F)(F)CC2)C[NH2+]1 ZINC001246570131 972836450 /nfs/dbraw/zinc/83/64/50/972836450.db2.gz SWSYFBWNQJQSDD-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)([NH3+])CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001171192645 972842489 /nfs/dbraw/zinc/84/24/89/972842489.db2.gz IVLOPRWZMBRGLW-UHFFFAOYSA-N 2 2 244.342 2.081 20 0 BEADLP C[C@@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1F ZINC001246590008 972998397 /nfs/dbraw/zinc/99/83/97/972998397.db2.gz RKJNLYAQHXXRJT-GJHMDTBVSA-N 2 2 244.329 2.041 20 0 BEADLP C[C@@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1F ZINC001246590008 972998425 /nfs/dbraw/zinc/99/84/25/972998425.db2.gz RKJNLYAQHXXRJT-GJHMDTBVSA-N 2 2 244.329 2.041 20 0 BEADLP Cc1ccc(CC[C@@H](C)[NH+]2CC3(C[NH2+]C3)C2)cc1 ZINC001246611198 973030761 /nfs/dbraw/zinc/03/07/61/973030761.db2.gz AUNVVNHBZFQCKK-CQSZACIVSA-N 2 2 244.382 2.221 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246919130 973481225 /nfs/dbraw/zinc/48/12/25/973481225.db2.gz MQBNXDWZZQGRQZ-FXUDXRNXSA-N 2 2 242.366 2.226 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001246919130 973481231 /nfs/dbraw/zinc/48/12/31/973481231.db2.gz MQBNXDWZZQGRQZ-FXUDXRNXSA-N 2 2 242.366 2.226 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC001329644574 973866965 /nfs/dbraw/zinc/86/69/65/973866965.db2.gz WVHOLXPXNWASGR-HTQZYQBOSA-N 2 2 247.264 2.098 20 0 BEADLP Cc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C2 ZINC001171552248 974099268 /nfs/dbraw/zinc/09/92/68/974099268.db2.gz VJRNLCWFNUMHLU-ZFWWWQNUSA-N 2 2 246.398 2.392 20 0 BEADLP Cc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C2 ZINC001171552245 974100170 /nfs/dbraw/zinc/10/01/70/974100170.db2.gz VJRNLCWFNUMHLU-DZGCQCFKSA-N 2 2 246.398 2.392 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172188442 974394245 /nfs/dbraw/zinc/39/42/45/974394245.db2.gz SLWBUNUJRMGGJC-STQMWFEESA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172188442 974394249 /nfs/dbraw/zinc/39/42/49/974394249.db2.gz SLWBUNUJRMGGJC-STQMWFEESA-N 2 2 248.395 2.127 20 0 BEADLP CC[C@@H](C)OCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001172317751 974524913 /nfs/dbraw/zinc/52/49/13/974524913.db2.gz UDGLVUFWAQXCOS-QWHCGFSZSA-N 2 2 239.363 2.066 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001172377405 974578753 /nfs/dbraw/zinc/57/87/53/974578753.db2.gz BKDFTNXQDZEWMJ-MGPQQGTHSA-N 2 2 242.407 2.441 20 0 BEADLP CCCCCC[C@@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001172379197 974585587 /nfs/dbraw/zinc/58/55/87/974585587.db2.gz SCBZKAXURDXNSY-CYBMUJFWSA-N 2 2 242.407 2.443 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]CCc1[nH+]ccn1C ZINC001172398634 974759920 /nfs/dbraw/zinc/75/99/20/974759920.db2.gz GTOMBRBHPDNAEM-LBPRGKRZSA-N 2 2 223.364 2.377 20 0 BEADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH+](C)C)CC2 ZINC001172825330 974949158 /nfs/dbraw/zinc/94/91/58/974949158.db2.gz GDZOIOWSPYITKI-CJNGLKHVSA-N 2 2 246.398 2.392 20 0 BEADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172855838 974957794 /nfs/dbraw/zinc/95/77/94/974957794.db2.gz IAFGLHUSCBTVJQ-UPZJHPNMSA-N 2 2 242.725 2.099 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001172927640 974975930 /nfs/dbraw/zinc/97/59/30/974975930.db2.gz YYHCJJAIWZSMQF-RDBSUJKOSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001172927640 974975934 /nfs/dbraw/zinc/97/59/34/974975934.db2.gz YYHCJJAIWZSMQF-RDBSUJKOSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc2[nH+]c(N)n(-c3cc[nH+]cc3)c2c1 ZINC001173879457 975913255 /nfs/dbraw/zinc/91/32/55/975913255.db2.gz OYMYEEVVJZZBFP-UHFFFAOYSA-N 2 2 224.267 2.311 20 0 BEADLP Cc1[nH]c2ccc(O[C@H](C)C[NH+](C)C)cc2[nH+]1 ZINC001228327194 976120524 /nfs/dbraw/zinc/12/05/24/976120524.db2.gz PBEIFJKDJJKQCO-SECBINFHSA-N 2 2 233.315 2.200 20 0 BEADLP Cc1[nH]c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c(C)[nH+]1 ZINC001334766345 976633306 /nfs/dbraw/zinc/63/33/06/976633306.db2.gz IJNPZRAUMOKOOO-KGLIPLIRSA-N 2 2 249.358 2.074 20 0 BEADLP CCc1cc(NCC(C)(C)[NH2+]C)nc(CC)[nH+]1 ZINC001334963894 976809508 /nfs/dbraw/zinc/80/95/08/976809508.db2.gz BNKBYTSCUXBXID-UHFFFAOYSA-N 2 2 236.363 2.011 20 0 BEADLP COc1cc(Nc2cc[nH+]cc2C)cc(C)[nH+]1 ZINC001174536799 976820859 /nfs/dbraw/zinc/82/08/59/976820859.db2.gz VYCQYGBERGINJH-UHFFFAOYSA-N 2 2 229.283 2.268 20 0 BEADLP CCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC001231638204 977653081 /nfs/dbraw/zinc/65/30/81/977653081.db2.gz YWLSMQUSPMFZLH-UHFFFAOYSA-N 2 2 247.386 2.170 20 0 BEADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC001231638204 977653089 /nfs/dbraw/zinc/65/30/89/977653089.db2.gz YWLSMQUSPMFZLH-UHFFFAOYSA-N 2 2 247.386 2.170 20 0 BEADLP F[C@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012130 977840988 /nfs/dbraw/zinc/84/09/88/977840988.db2.gz SZKKJIPWTOXKTO-JTQLQIEISA-N 2 2 219.263 2.107 20 0 BEADLP F[C@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232012130 977840993 /nfs/dbraw/zinc/84/09/93/977840993.db2.gz SZKKJIPWTOXKTO-JTQLQIEISA-N 2 2 219.263 2.107 20 0 BEADLP C[N@@H+](Cc1cc2c[nH+]ccc2[nH]1)Cc1ccno1 ZINC001232017313 977845338 /nfs/dbraw/zinc/84/53/38/977845338.db2.gz PKLLHXAAIKYRQW-UHFFFAOYSA-N 2 2 242.282 2.183 20 0 BEADLP Cc1cn2cccc(Nc3[nH]cc[nH+]3)c2[nH+]1 ZINC001176079324 977873570 /nfs/dbraw/zinc/87/35/70/977873570.db2.gz HEQJXJPSTRYRGV-UHFFFAOYSA-N 2 2 213.244 2.109 20 0 BEADLP COc1cc[nH+]cc1Nc1c[nH+]ccc1N(C)C ZINC001176117094 977945274 /nfs/dbraw/zinc/94/52/74/977945274.db2.gz QTHRAJCUJSBSDV-UHFFFAOYSA-N 2 2 244.298 2.295 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CCC3)CC2)c[nH+]1 ZINC001232461158 978102895 /nfs/dbraw/zinc/10/28/95/978102895.db2.gz XUMLQAWBYVXIHE-UHFFFAOYSA-N 2 2 219.332 2.484 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CCOCC3)CC2)c[nH+]1 ZINC001232464006 978104959 /nfs/dbraw/zinc/10/49/59/978104959.db2.gz RDHSVPRVPCBBJT-UHFFFAOYSA-N 2 2 249.358 2.111 20 0 BEADLP Cc1cc(F)cc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC001337020554 978129283 /nfs/dbraw/zinc/12/92/83/978129283.db2.gz XLGRQQLPYVHCFQ-UHFFFAOYSA-N 2 2 237.322 2.283 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000328141035 978171848 /nfs/dbraw/zinc/17/18/48/978171848.db2.gz BAXWYAAPVSDATH-SNVBAGLBSA-N 2 2 238.297 2.403 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000328141035 978171856 /nfs/dbraw/zinc/17/18/56/978171856.db2.gz BAXWYAAPVSDATH-SNVBAGLBSA-N 2 2 238.297 2.403 20 0 BEADLP Cc1cccnc1[C@H]([NH2+]C[C@H](C)[NH3+])C(C)(C)C ZINC001337823725 978514755 /nfs/dbraw/zinc/51/47/55/978514755.db2.gz DRUDECBLJUCPHO-AAEUAGOBSA-N 2 2 235.375 2.414 20 0 BEADLP c1cn2c(cccc2C[NH+]2CC3CC(C3)C2)[nH+]1 ZINC001233364107 978574945 /nfs/dbraw/zinc/57/49/45/978574945.db2.gz QNNZDJQCIFPFRH-UHFFFAOYSA-N 2 2 227.311 2.176 20 0 BEADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]2C1 ZINC001204244197 978701261 /nfs/dbraw/zinc/70/12/61/978701261.db2.gz AYZRWCSMTWQTHP-OKILXGFUSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]2C1 ZINC001204244197 978701269 /nfs/dbraw/zinc/70/12/69/978701269.db2.gz AYZRWCSMTWQTHP-OKILXGFUSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2C1 ZINC001204244197 978701275 /nfs/dbraw/zinc/70/12/75/978701275.db2.gz AYZRWCSMTWQTHP-OKILXGFUSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2C1 ZINC001204244197 978701279 /nfs/dbraw/zinc/70/12/79/978701279.db2.gz AYZRWCSMTWQTHP-OKILXGFUSA-N 2 2 234.343 2.053 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000070344963 978832426 /nfs/dbraw/zinc/83/24/26/978832426.db2.gz WNOWVPDFPWMYCU-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000070344963 978832429 /nfs/dbraw/zinc/83/24/29/978832429.db2.gz WNOWVPDFPWMYCU-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc2c(cccc2C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)[nH]1 ZINC001235041585 978961234 /nfs/dbraw/zinc/96/12/34/978961234.db2.gz IFTJTOHNTFSOCU-LSDHHAIUSA-N 2 2 241.338 2.104 20 0 BEADLP c1cc2c(cccc2C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)[nH]1 ZINC001235041585 978961237 /nfs/dbraw/zinc/96/12/37/978961237.db2.gz IFTJTOHNTFSOCU-LSDHHAIUSA-N 2 2 241.338 2.104 20 0 BEADLP C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)C1CCCCC1 ZINC001235078446 978970816 /nfs/dbraw/zinc/97/08/16/978970816.db2.gz UYHKFIZEZKNLEN-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)C1CCCCC1 ZINC001235078446 978970821 /nfs/dbraw/zinc/97/08/21/978970821.db2.gz UYHKFIZEZKNLEN-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235168772 978988630 /nfs/dbraw/zinc/98/86/30/978988630.db2.gz GISDASNKBYOZSE-JKSUJKDBSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235168772 978988640 /nfs/dbraw/zinc/98/86/40/978988640.db2.gz GISDASNKBYOZSE-JKSUJKDBSA-N 2 2 242.366 2.487 20 0 BEADLP Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001235689422 979116189 /nfs/dbraw/zinc/11/61/89/979116189.db2.gz ZBYUSUIRCFIJBN-DZGCQCFKSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccc(O[C@@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)cc1 ZINC001235689422 979116197 /nfs/dbraw/zinc/11/61/97/979116197.db2.gz ZBYUSUIRCFIJBN-DZGCQCFKSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC001235689914 979120478 /nfs/dbraw/zinc/12/04/78/979120478.db2.gz DQRMDDFUXBUBDF-ZIAGYGMSSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 ZINC001235689914 979120486 /nfs/dbraw/zinc/12/04/86/979120486.db2.gz DQRMDDFUXBUBDF-ZIAGYGMSSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1C ZINC001235979806 979253456 /nfs/dbraw/zinc/25/34/56/979253456.db2.gz KWQPJGGQIQIYEJ-CABCVRRESA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1C ZINC001235979806 979253464 /nfs/dbraw/zinc/25/34/64/979253464.db2.gz KWQPJGGQIQIYEJ-CABCVRRESA-N 2 2 230.355 2.227 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982920 979268426 /nfs/dbraw/zinc/26/84/26/979268426.db2.gz XTWXVUFLGAELAR-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982920 979268434 /nfs/dbraw/zinc/26/84/34/979268434.db2.gz XTWXVUFLGAELAR-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235990249 979269623 /nfs/dbraw/zinc/26/96/23/979269623.db2.gz MELHVIQVYUWYBQ-GXFFZTMASA-N 2 2 236.384 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)s1 ZINC001235990249 979269632 /nfs/dbraw/zinc/26/96/32/979269632.db2.gz MELHVIQVYUWYBQ-GXFFZTMASA-N 2 2 236.384 2.234 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC001235988603 979273235 /nfs/dbraw/zinc/27/32/35/979273235.db2.gz HQCVKAWLAMVMEE-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC001235988603 979273252 /nfs/dbraw/zinc/27/32/52/979273252.db2.gz HQCVKAWLAMVMEE-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP Cc1ccc([C@H](C)CC[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)o1 ZINC001236013394 979297410 /nfs/dbraw/zinc/29/74/10/979297410.db2.gz ACWNBSYILNADEP-MPKXVKKWSA-N 2 2 234.343 2.115 20 0 BEADLP Cc1ccc([C@H](C)CC[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)o1 ZINC001236013394 979297418 /nfs/dbraw/zinc/29/74/18/979297418.db2.gz ACWNBSYILNADEP-MPKXVKKWSA-N 2 2 234.343 2.115 20 0 BEADLP CC1=CC[C@H](CC[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)C1(C)C ZINC001236017492 979306664 /nfs/dbraw/zinc/30/66/64/979306664.db2.gz SEHHBNHCNWZTSL-UMVBOHGHSA-N 2 2 234.387 2.402 20 0 BEADLP CC1=CC[C@H](CC[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)C1(C)C ZINC001236017492 979306675 /nfs/dbraw/zinc/30/66/75/979306675.db2.gz SEHHBNHCNWZTSL-UMVBOHGHSA-N 2 2 234.387 2.402 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001236020801 979314604 /nfs/dbraw/zinc/31/46/04/979314604.db2.gz LTBVFYROEYEILM-HOTGVXAUSA-N 2 2 238.334 2.373 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001236020801 979314624 /nfs/dbraw/zinc/31/46/24/979314624.db2.gz LTBVFYROEYEILM-HOTGVXAUSA-N 2 2 238.334 2.373 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1cccc3sccc31)C2 ZINC001236031603 979329976 /nfs/dbraw/zinc/32/99/76/979329976.db2.gz XQLCFCOTGQZCFH-FZMZJTMJSA-N 2 2 244.363 2.434 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1cccc3sccc31)C2 ZINC001236031603 979329986 /nfs/dbraw/zinc/32/99/86/979329986.db2.gz XQLCFCOTGQZCFH-FZMZJTMJSA-N 2 2 244.363 2.434 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1C ZINC001236059830 979346858 /nfs/dbraw/zinc/34/68/58/979346858.db2.gz MXPWUECPNPLQHH-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1C ZINC001236059830 979346866 /nfs/dbraw/zinc/34/68/66/979346866.db2.gz MXPWUECPNPLQHH-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1C ZINC001236060420 979350573 /nfs/dbraw/zinc/35/05/73/979350573.db2.gz QDJKGBRHGDTJHN-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1C ZINC001236060420 979350585 /nfs/dbraw/zinc/35/05/85/979350585.db2.gz QDJKGBRHGDTJHN-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H]3C[NH3+])c2c1 ZINC001236242934 979461521 /nfs/dbraw/zinc/46/15/21/979461521.db2.gz NIAUTJDBIRPNDJ-CYBMUJFWSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]3C[NH3+])c2c1 ZINC001236242934 979461524 /nfs/dbraw/zinc/46/15/24/979461524.db2.gz NIAUTJDBIRPNDJ-CYBMUJFWSA-N 2 2 243.354 2.399 20 0 BEADLP Nc1ccc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)c[nH+]1 ZINC001236315699 979530186 /nfs/dbraw/zinc/53/01/86/979530186.db2.gz CCECNCPCLWJLOD-ZDUSSCGKSA-N 2 2 225.295 2.277 20 0 BEADLP Cc1cc(C)c(Nc2cc[nH+]c(N)c2)c[nH+]1 ZINC001206527802 979562759 /nfs/dbraw/zinc/56/27/59/979562759.db2.gz FFCKEDHUQUHRFT-UHFFFAOYSA-N 2 2 214.272 2.419 20 0 BEADLP C(C1CC1)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649402 979687143 /nfs/dbraw/zinc/68/71/43/979687143.db2.gz XZLGVRRXKDBTNR-AWEZNQCLSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC001183001063 979695121 /nfs/dbraw/zinc/69/51/21/979695121.db2.gz RPXLNFIYEQPUSJ-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)CCc1cc(F)cc(F)c1 ZINC001236861227 979763300 /nfs/dbraw/zinc/76/33/00/979763300.db2.gz WOZAMICXIARUGN-ZDUSSCGKSA-N 2 2 242.313 2.176 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1cc(F)cc(F)c1 ZINC001236861227 979763314 /nfs/dbraw/zinc/76/33/14/979763314.db2.gz WOZAMICXIARUGN-ZDUSSCGKSA-N 2 2 242.313 2.176 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(F)c1C ZINC001236864563 979764516 /nfs/dbraw/zinc/76/45/16/979764516.db2.gz BVVOHEXGLZMJJJ-LBPRGKRZSA-N 2 2 224.323 2.303 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1C ZINC001236864563 979764521 /nfs/dbraw/zinc/76/45/21/979764521.db2.gz BVVOHEXGLZMJJJ-LBPRGKRZSA-N 2 2 224.323 2.303 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cc(F)ccc12 ZINC001236865379 979771414 /nfs/dbraw/zinc/77/14/14/979771414.db2.gz KBTDWZADTLEPFG-LBPRGKRZSA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cc(F)ccc12 ZINC001236865379 979771418 /nfs/dbraw/zinc/77/14/18/979771418.db2.gz KBTDWZADTLEPFG-LBPRGKRZSA-N 2 2 249.333 2.476 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(N2CCCC2)c1 ZINC001236904906 979792872 /nfs/dbraw/zinc/79/28/72/979792872.db2.gz UBELCFPJKLUSKW-ZDUSSCGKSA-N 2 2 247.386 2.066 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(N2CCCC2)c1 ZINC001236904906 979792876 /nfs/dbraw/zinc/79/28/76/979792876.db2.gz UBELCFPJKLUSKW-ZDUSSCGKSA-N 2 2 247.386 2.066 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237384785 979882045 /nfs/dbraw/zinc/88/20/45/979882045.db2.gz YFHQZPHYFDDBFJ-SWLSCSKDSA-N 2 2 248.370 2.416 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)o1 ZINC001237384785 979882048 /nfs/dbraw/zinc/88/20/48/979882048.db2.gz YFHQZPHYFDDBFJ-SWLSCSKDSA-N 2 2 248.370 2.416 20 0 BEADLP c1cc(N2CCCC2)cc(C2=CCC[NH2+]CC2)[nH+]1 ZINC001238938524 980376040 /nfs/dbraw/zinc/37/60/40/980376040.db2.gz MOEPBAMOVVXQRV-UHFFFAOYSA-N 2 2 243.354 2.449 20 0 BEADLP [NH3+]Cc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240218735 981169641 /nfs/dbraw/zinc/16/96/41/981169641.db2.gz WVLSSOQCMPWQDX-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP Cc1cn2c(cccc2C2=CC[NH2+]CC2)[nH+]1 ZINC001240467637 981400735 /nfs/dbraw/zinc/40/07/35/981400735.db2.gz DMDBZKAHBKWHHT-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP Cc1c(C2=CC[NH2+]CC2)ccc2[nH+]ccn21 ZINC001240471163 981409414 /nfs/dbraw/zinc/40/94/14/981409414.db2.gz XHTIRTYPEMJUSN-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP Cc1cnc(-c2ccn3cc[nH+]c3c2)c(C[NH3+])c1 ZINC001240496835 981418924 /nfs/dbraw/zinc/41/89/24/981418924.db2.gz JHHAWYZXZOLJBD-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(OC)CCC1 ZINC001349623229 981599421 /nfs/dbraw/zinc/59/94/21/981599421.db2.gz BJYDPASPFYJBIV-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(OC)CCC1 ZINC001349623229 981599430 /nfs/dbraw/zinc/59/94/30/981599430.db2.gz BJYDPASPFYJBIV-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001349634321 981603195 /nfs/dbraw/zinc/60/31/95/981603195.db2.gz YHASVJKXIUZXTH-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001349634321 981603199 /nfs/dbraw/zinc/60/31/99/981603199.db2.gz YHASVJKXIUZXTH-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc2cc(C[NH2+]C[C@@H]3CCC[NH2+]3)ccc2o1 ZINC001580892115 981728117 /nfs/dbraw/zinc/72/81/17/981728117.db2.gz NFPPLXSMXVTCFC-ZDUSSCGKSA-N 2 2 230.311 2.274 20 0 BEADLP CCN(C)c1cc(C)[nH+]c(C=C2CC[NH2+]CC2)n1 ZINC001240873077 981913747 /nfs/dbraw/zinc/91/37/47/981913747.db2.gz OGOJGLLHSUEAFV-UHFFFAOYSA-N 2 2 246.358 2.008 20 0 BEADLP C(c1cc[nH+]c(N2CCCC2)c1)=C1CC[NH2+]CC1 ZINC001240875080 981918572 /nfs/dbraw/zinc/91/85/72/981918572.db2.gz BXJZYKYNUNODSE-UHFFFAOYSA-N 2 2 243.354 2.449 20 0 BEADLP Cc1ccc(C=C2CC[NH2+]CC2)c(C)[nH+]1 ZINC001240875910 981918778 /nfs/dbraw/zinc/91/87/78/981918778.db2.gz PSNQWAVFGLTGQG-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C=C1CC[NH2+]CC1 ZINC001240877602 981928536 /nfs/dbraw/zinc/92/85/36/981928536.db2.gz DDJIOBNIGHPYFH-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001351668816 982357215 /nfs/dbraw/zinc/35/72/15/982357215.db2.gz ZWMLSLJVXVWVIL-XHDPSFHLSA-N 2 2 230.355 2.015 20 0 BEADLP c1ccc(NCCCC[NH2+]C2CCOCC2)[nH+]c1 ZINC001200077153 982551476 /nfs/dbraw/zinc/55/14/76/982551476.db2.gz NGAYXIRYLVGDDY-UHFFFAOYSA-N 2 2 249.358 2.042 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccs2)C1 ZINC001205804116 982558912 /nfs/dbraw/zinc/55/89/12/982558912.db2.gz LSXWKFSGZPTEAY-WDEREUQCSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccs2)C1 ZINC001205804116 982558922 /nfs/dbraw/zinc/55/89/22/982558922.db2.gz LSXWKFSGZPTEAY-WDEREUQCSA-N 2 2 224.373 2.307 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205806296 982571186 /nfs/dbraw/zinc/57/11/86/982571186.db2.gz TVAHUWLSWREWSZ-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205806296 982571192 /nfs/dbraw/zinc/57/11/92/982571192.db2.gz TVAHUWLSWREWSZ-OCCSQVGLSA-N 2 2 248.370 2.254 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCC(F)(F)F)C1 ZINC001205807290 982574343 /nfs/dbraw/zinc/57/43/43/982574343.db2.gz ZNIQEHYDLXCXPS-ZJUUUORDSA-N 2 2 238.297 2.388 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCC(F)(F)F)C1 ZINC001205807290 982574360 /nfs/dbraw/zinc/57/43/60/982574360.db2.gz ZNIQEHYDLXCXPS-ZJUUUORDSA-N 2 2 238.297 2.388 20 0 BEADLP Cc1c(O)cccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205828148 982666482 /nfs/dbraw/zinc/66/64/82/982666482.db2.gz JRNXMHHYXAYIAE-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1c(O)cccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205828148 982666484 /nfs/dbraw/zinc/66/64/84/982666484.db2.gz JRNXMHHYXAYIAE-RISCZKNCSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(C)n1 ZINC001205838871 982725936 /nfs/dbraw/zinc/72/59/36/982725936.db2.gz DJTKVHWMZBVHCI-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c(C)n1 ZINC001205838871 982725952 /nfs/dbraw/zinc/72/59/52/982725952.db2.gz DJTKVHWMZBVHCI-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP [NH3+]Cc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001241913132 983129342 /nfs/dbraw/zinc/12/93/42/983129342.db2.gz PXDVPQORAZGUEW-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP CCC[C@H](C)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201553549 983310678 /nfs/dbraw/zinc/31/06/78/983310678.db2.gz OHJIIBVPCNYTDZ-IHRRRGAJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201553549 983310684 /nfs/dbraw/zinc/31/06/84/983310684.db2.gz OHJIIBVPCNYTDZ-IHRRRGAJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201553549 983310689 /nfs/dbraw/zinc/31/06/89/983310689.db2.gz OHJIIBVPCNYTDZ-IHRRRGAJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201553549 983310694 /nfs/dbraw/zinc/31/06/94/983310694.db2.gz OHJIIBVPCNYTDZ-IHRRRGAJSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201553553 983311290 /nfs/dbraw/zinc/31/12/90/983311290.db2.gz OHJIIBVPCNYTDZ-MJBXVCDLSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201553553 983311295 /nfs/dbraw/zinc/31/12/95/983311295.db2.gz OHJIIBVPCNYTDZ-MJBXVCDLSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201553553 983311303 /nfs/dbraw/zinc/31/13/03/983311303.db2.gz OHJIIBVPCNYTDZ-MJBXVCDLSA-N 2 2 224.392 2.449 20 0 BEADLP CCC[C@H](C)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201553553 983311308 /nfs/dbraw/zinc/31/13/08/983311308.db2.gz OHJIIBVPCNYTDZ-MJBXVCDLSA-N 2 2 224.392 2.449 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1cc(C[NH+](C)C)ccn1 ZINC001242078341 983327180 /nfs/dbraw/zinc/32/71/80/983327180.db2.gz YZNAOSPQGZXELX-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1cc[nH+]c2c1CCN2 ZINC001242098254 983342389 /nfs/dbraw/zinc/34/23/89/983342389.db2.gz IKMDYBINHYQREX-UHFFFAOYSA-N 2 2 226.283 2.002 20 0 BEADLP CC(C)CC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201626613 983380860 /nfs/dbraw/zinc/38/08/60/983380860.db2.gz LKIHJIBUOXPXGO-QWHCGFSZSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201626613 983380868 /nfs/dbraw/zinc/38/08/68/983380868.db2.gz LKIHJIBUOXPXGO-QWHCGFSZSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201626613 983380876 /nfs/dbraw/zinc/38/08/76/983380876.db2.gz LKIHJIBUOXPXGO-QWHCGFSZSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201626613 983380883 /nfs/dbraw/zinc/38/08/83/983380883.db2.gz LKIHJIBUOXPXGO-QWHCGFSZSA-N 2 2 210.365 2.059 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001201952031 983519035 /nfs/dbraw/zinc/51/90/35/983519035.db2.gz GBPDSGOBESXJGX-CYBMUJFWSA-N 2 2 232.327 2.253 20 0 BEADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001201952031 983519044 /nfs/dbraw/zinc/51/90/44/983519044.db2.gz GBPDSGOBESXJGX-CYBMUJFWSA-N 2 2 232.327 2.253 20 0 BEADLP CC[N@H+](CCC(F)(F)F)C1CC[NH+](C)CC1 ZINC001202347923 983629309 /nfs/dbraw/zinc/62/93/09/983629309.db2.gz MNAGVLWJOUXAHC-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP CC[N@@H+](CCC(F)(F)F)C1CC[NH+](C)CC1 ZINC001202347923 983629315 /nfs/dbraw/zinc/62/93/15/983629315.db2.gz MNAGVLWJOUXAHC-UHFFFAOYSA-N 2 2 238.297 2.355 20 0 BEADLP C/C(=C\C=C\[NH3+])c1cnn(C2CC[NH+](C)CC2)c1 ZINC001242727941 984078117 /nfs/dbraw/zinc/07/81/17/984078117.db2.gz JCMUDNNTQQOXJF-ZUAGWBGVSA-N 2 2 246.358 2.026 20 0 BEADLP CC[N@H+](CC1CCC1)C1CC[NH+](C)CC1 ZINC001202739345 984209365 /nfs/dbraw/zinc/20/93/65/984209365.db2.gz HGRLDIFNBBOYDU-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CC[N@@H+](CC1CCC1)C1CC[NH+](C)CC1 ZINC001202739345 984209374 /nfs/dbraw/zinc/20/93/74/984209374.db2.gz HGRLDIFNBBOYDU-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP C[NH2+]Cc1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001242995049 984359867 /nfs/dbraw/zinc/35/98/67/984359867.db2.gz ZEIMJIXGSHPOFH-UHFFFAOYSA-N 2 2 227.311 2.359 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(C(C)(C)[NH3+])c1 ZINC001243069685 984486877 /nfs/dbraw/zinc/48/68/77/984486877.db2.gz JYGLOHMSJQBYLS-UHFFFAOYSA-N 2 2 215.300 2.281 20 0 BEADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)[nH]1 ZINC001276071924 984811430 /nfs/dbraw/zinc/81/14/30/984811430.db2.gz KAPCPFWKAWUWAR-OAHLLOKOSA-N 2 2 247.386 2.241 20 0 BEADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)[nH]1 ZINC001276071924 984811436 /nfs/dbraw/zinc/81/14/36/984811436.db2.gz KAPCPFWKAWUWAR-OAHLLOKOSA-N 2 2 247.386 2.241 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001276071924 984811439 /nfs/dbraw/zinc/81/14/39/984811439.db2.gz KAPCPFWKAWUWAR-OAHLLOKOSA-N 2 2 247.386 2.241 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)[nH]1 ZINC001276071924 984811445 /nfs/dbraw/zinc/81/14/45/984811445.db2.gz KAPCPFWKAWUWAR-OAHLLOKOSA-N 2 2 247.386 2.241 20 0 BEADLP C[C@@H]([NH3+])c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477018 985035064 /nfs/dbraw/zinc/03/50/64/985035064.db2.gz XPULXTHXDGAWCY-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP C/C=C(\NC=[NH2+])c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243657677 985156861 /nfs/dbraw/zinc/15/68/61/985156861.db2.gz SHHBMMWCGFDOSC-VVHNFQOZSA-N 2 2 240.310 2.489 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258196926 985590443 /nfs/dbraw/zinc/59/04/43/985590443.db2.gz BNTLSOYACQAMAQ-VNHYZAJKSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258196926 985590460 /nfs/dbraw/zinc/59/04/60/985590460.db2.gz BNTLSOYACQAMAQ-VNHYZAJKSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258196926 985590472 /nfs/dbraw/zinc/59/04/72/985590472.db2.gz BNTLSOYACQAMAQ-VNHYZAJKSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258196926 985590486 /nfs/dbraw/zinc/59/04/86/985590486.db2.gz BNTLSOYACQAMAQ-VNHYZAJKSA-N 2 2 248.370 2.237 20 0 BEADLP CC1(C)C[N@H+](CCCC2CCC2)C[C@H]1[NH3+] ZINC000688417450 985632458 /nfs/dbraw/zinc/63/24/58/985632458.db2.gz ACWMEGZTNJOASE-GFCCVEGCSA-N 2 2 210.365 2.236 20 0 BEADLP CC1(C)C[N@@H+](CCCC2CCC2)C[C@H]1[NH3+] ZINC000688417450 985632460 /nfs/dbraw/zinc/63/24/60/985632460.db2.gz ACWMEGZTNJOASE-GFCCVEGCSA-N 2 2 210.365 2.236 20 0 BEADLP CCC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC001460900130 985930801 /nfs/dbraw/zinc/93/08/01/985930801.db2.gz LSYFIQGOAJLMPI-ZDUSSCGKSA-N 2 2 221.348 2.456 20 0 BEADLP CCC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC001460900130 985930814 /nfs/dbraw/zinc/93/08/14/985930814.db2.gz LSYFIQGOAJLMPI-ZDUSSCGKSA-N 2 2 221.348 2.456 20 0 BEADLP CNc1cc(-c2cccc(OCC[NH3+])c2)cc[nH+]1 ZINC001244326091 985953663 /nfs/dbraw/zinc/95/36/63/985953663.db2.gz YDTBJFHTLGXRPA-UHFFFAOYSA-N 2 2 243.310 2.128 20 0 BEADLP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001579505176 986049536 /nfs/dbraw/zinc/04/95/36/986049536.db2.gz NQFBMPGQAHYRHJ-HPFKKHKDSA-N 2 2 216.328 2.040 20 0 BEADLP Cc1cc(C)c2cc(NCC3C[NH2+]C3)ccc2[nH+]1 ZINC001579576823 986092311 /nfs/dbraw/zinc/09/23/11/986092311.db2.gz PZOPEWIKHVHXHY-UHFFFAOYSA-N 2 2 241.338 2.483 20 0 BEADLP Cc1ccc(C[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C2CC2)o1 ZINC001579691094 986186452 /nfs/dbraw/zinc/18/64/52/986186452.db2.gz KQPUDSXILYEDKB-SWLSCSKDSA-N 2 2 246.354 2.162 20 0 BEADLP Cc1ccc(C[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C2CC2)o1 ZINC001579691094 986186473 /nfs/dbraw/zinc/18/64/73/986186473.db2.gz KQPUDSXILYEDKB-SWLSCSKDSA-N 2 2 246.354 2.162 20 0 BEADLP Cc1cccc(C[NH2+][C@]2(C[NH3+])CCCC[C@H]2C)n1 ZINC001579760187 986217103 /nfs/dbraw/zinc/21/71/03/986217103.db2.gz BAMWMYMDFMASTP-DOMZBBRYSA-N 2 2 247.386 2.387 20 0 BEADLP Cc1cccc(C[NH2+][C@@]2(C[NH3+])CCCC[C@H]2C)n1 ZINC001579760188 986218872 /nfs/dbraw/zinc/21/88/72/986218872.db2.gz BAMWMYMDFMASTP-IUODEOHRSA-N 2 2 247.386 2.387 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CCC1 ZINC001462115803 986284098 /nfs/dbraw/zinc/28/40/98/986284098.db2.gz VRLZJIXQFNUHKA-RWMBFGLXSA-N 2 2 222.376 2.249 20 0 BEADLP CNc1cc(-c2ccc(CC[NH3+])cc2)cc[nH+]1 ZINC001244975998 986560102 /nfs/dbraw/zinc/56/01/02/986560102.db2.gz MFBFVHPPMADECM-UHFFFAOYSA-N 2 2 227.311 2.292 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CC1 ZINC001580229240 986680690 /nfs/dbraw/zinc/68/06/90/986680690.db2.gz KSRRKHSTHHKBMX-OAHLLOKOSA-N 2 2 241.338 2.062 20 0 BEADLP [NH3+]CC12CCC(CC1)[N@@H+]2CCc1cccc(F)c1 ZINC001580250689 986700598 /nfs/dbraw/zinc/70/05/98/986700598.db2.gz RMAOHOCTKBHNRS-UHFFFAOYSA-N 2 2 248.345 2.324 20 0 BEADLP [NH3+]CC12CCC(CC1)[N@H+]2CCc1cccc(F)c1 ZINC001580250689 986700611 /nfs/dbraw/zinc/70/06/11/986700611.db2.gz RMAOHOCTKBHNRS-UHFFFAOYSA-N 2 2 248.345 2.324 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1[nH]c(C)cc1C ZINC001137331963 986791890 /nfs/dbraw/zinc/79/18/90/986791890.db2.gz AMSRWBXCGSCZKL-UHFFFAOYSA-N 2 2 246.358 2.350 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1[nH]c(C)cc1C ZINC001137331963 986791899 /nfs/dbraw/zinc/79/18/99/986791899.db2.gz AMSRWBXCGSCZKL-UHFFFAOYSA-N 2 2 246.358 2.350 20 0 BEADLP Cc1cc(-c2cccc3c[nH+]cn32)c[nH+]c1N ZINC001245539699 986924587 /nfs/dbraw/zinc/92/45/87/986924587.db2.gz OWTQXFNNGKJSEL-UHFFFAOYSA-N 2 2 224.267 2.287 20 0 BEADLP CCCCC[C@H](O)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053272 987345889 /nfs/dbraw/zinc/34/58/89/987345889.db2.gz RBUYHWRCPURNOD-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCC[C@H](O)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053272 987345895 /nfs/dbraw/zinc/34/58/95/987345895.db2.gz RBUYHWRCPURNOD-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246088834 987388577 /nfs/dbraw/zinc/38/85/77/987388577.db2.gz XXEKPPLVSDIEGI-FIYWTHMPSA-N 2 2 228.355 2.245 20 0 BEADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[NH2+]C[C@H]2F)C1 ZINC001246088201 987388995 /nfs/dbraw/zinc/38/89/95/987388995.db2.gz SFZHBPGQNFGIMR-TUAOUCFPSA-N 2 2 228.355 2.245 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088162 987389644 /nfs/dbraw/zinc/38/96/44/987389644.db2.gz RQAOMDQFSZBOAB-SRVKXCTJSA-N 2 2 216.344 2.245 20 0 BEADLP CCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088804 987391543 /nfs/dbraw/zinc/39/15/43/987391543.db2.gz XPQYRRAGRLDVPF-SDDRHHMPSA-N 2 2 216.344 2.245 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246089178 987392736 /nfs/dbraw/zinc/39/27/36/987392736.db2.gz ZRZIXBDAHNYOGL-HBNTYKKESA-N 2 2 248.411 2.196 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccccc2)C1 ZINC000401218852 987419628 /nfs/dbraw/zinc/41/96/28/987419628.db2.gz XGEDOOLPAFSSCL-UONOGXRCSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccccc2)C1 ZINC000401218852 987419637 /nfs/dbraw/zinc/41/96/37/987419637.db2.gz XGEDOOLPAFSSCL-UONOGXRCSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@@H](C)C1 ZINC001246105928 987431383 /nfs/dbraw/zinc/43/13/83/987431383.db2.gz DGWYCABEEMPUDC-FHUSYTEZSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246113331 987449371 /nfs/dbraw/zinc/44/93/71/987449371.db2.gz STUKLPIHNUCHDC-UPJWGTAASA-N 2 2 230.371 2.491 20 0 BEADLP Cc1ccc(CC[C@@H](C)[NH2+][C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001246137305 987495240 /nfs/dbraw/zinc/49/52/40/987495240.db2.gz XZCWHXLGZANNEX-KBMXLJTQSA-N 2 2 244.382 2.268 20 0 BEADLP CCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1OC ZINC001246218914 987618292 /nfs/dbraw/zinc/61/82/92/987618292.db2.gz WBCPCKPBTPZJMZ-BFHYXJOUSA-N 2 2 242.407 2.312 20 0 BEADLP C=Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246235241 987632642 /nfs/dbraw/zinc/63/26/42/987632642.db2.gz JKPNOELUNHGMGE-AWEZNQCLSA-N 2 2 216.328 2.171 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)C[NH2+]1 ZINC001246265658 987658710 /nfs/dbraw/zinc/65/87/10/987658710.db2.gz PIRZHRNBMZNOKF-PMOUVXMZSA-N 2 2 230.355 2.273 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)C[NH2+]1 ZINC001246329016 987736180 /nfs/dbraw/zinc/73/61/80/987736180.db2.gz MTOPWOLVAIAVMO-DFBGVHRSSA-N 2 2 245.370 2.263 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cccc(C)n2)C1 ZINC001474492836 987738336 /nfs/dbraw/zinc/73/83/36/987738336.db2.gz DKWLFBBLMIVRCA-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2cccc(C)n2)C1 ZINC001474492836 987738339 /nfs/dbraw/zinc/73/83/39/987738339.db2.gz DKWLFBBLMIVRCA-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cccc(C)n2)C1 ZINC001474492838 987738382 /nfs/dbraw/zinc/73/83/82/987738382.db2.gz DKWLFBBLMIVRCA-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(C)n2)C1 ZINC001474492838 987738385 /nfs/dbraw/zinc/73/83/85/987738385.db2.gz DKWLFBBLMIVRCA-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001474510443 987746016 /nfs/dbraw/zinc/74/60/16/987746016.db2.gz IKPWSGFTZCOEDU-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP C([NH2+]C1CCCCCCC1)[C@@H]1CSCC[NH2+]1 ZINC001246338479 987749072 /nfs/dbraw/zinc/74/90/72/987749072.db2.gz YHSOEQLXUMFLPL-CYBMUJFWSA-N 2 2 242.432 2.394 20 0 BEADLP COc1cccc(C(C)(C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246361365 987766716 /nfs/dbraw/zinc/76/67/16/987766716.db2.gz KRVMXYYIOKRSHT-CYBMUJFWSA-N 2 2 248.370 2.272 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC001474694271 987801881 /nfs/dbraw/zinc/80/18/81/987801881.db2.gz YGZKWKLXNVFUKE-SNVBAGLBSA-N 2 2 232.318 2.248 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C2(C)CC(F)(F)C2)C1 ZINC001474694271 987801884 /nfs/dbraw/zinc/80/18/84/987801884.db2.gz YGZKWKLXNVFUKE-SNVBAGLBSA-N 2 2 232.318 2.248 20 0 BEADLP c1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246478922 987839206 /nfs/dbraw/zinc/83/92/06/987839206.db2.gz PUSKWENPNPOMPH-MWLCHTKSSA-N 2 2 222.357 2.077 20 0 BEADLP CCSC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508197 987858725 /nfs/dbraw/zinc/85/87/25/987858725.db2.gz RGRVWJQRBAGWKK-DGCLKSJQSA-N 2 2 238.400 2.418 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246506380 987859688 /nfs/dbraw/zinc/85/96/88/987859688.db2.gz GYHAIDGSBCLDDH-WCQYABFASA-N 2 2 238.400 2.418 20 0 BEADLP CCOCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508242 987862718 /nfs/dbraw/zinc/86/27/18/987862718.db2.gz SJLXYMGDXZOGCX-GXTWGEPZSA-N 2 2 236.359 2.091 20 0 BEADLP CCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246507436 987863361 /nfs/dbraw/zinc/86/33/61/987863361.db2.gz PCFFEQCOTJSEST-WCQYABFASA-N 2 2 206.333 2.465 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246532593 987889287 /nfs/dbraw/zinc/88/92/87/987889287.db2.gz WZXJGHNFBHNYJP-WFASDCNBSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@]1([NH3+])CC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001246532593 987889290 /nfs/dbraw/zinc/88/92/90/987889290.db2.gz WZXJGHNFBHNYJP-WFASDCNBSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001246552259 987953865 /nfs/dbraw/zinc/95/38/65/987953865.db2.gz XMWRYMCCAGFHQD-IFUGULHKSA-N 2 2 248.345 2.105 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001246552259 987953873 /nfs/dbraw/zinc/95/38/73/987953873.db2.gz XMWRYMCCAGFHQD-IFUGULHKSA-N 2 2 248.345 2.105 20 0 BEADLP CCCCC[C@@H](CC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246557576 987973174 /nfs/dbraw/zinc/97/31/74/987973174.db2.gz MXDOAVQGXTXKOB-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@@H](CC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246557576 987973190 /nfs/dbraw/zinc/97/31/90/987973190.db2.gz MXDOAVQGXTXKOB-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cccc2c1C[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246568878 988045131 /nfs/dbraw/zinc/04/51/31/988045131.db2.gz SMHSPNHJEVPZEJ-CYBMUJFWSA-N 2 2 216.328 2.063 20 0 BEADLP Cc1cccc2c1C[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246568878 988045145 /nfs/dbraw/zinc/04/51/45/988045145.db2.gz SMHSPNHJEVPZEJ-CYBMUJFWSA-N 2 2 216.328 2.063 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001246582145 988112469 /nfs/dbraw/zinc/11/24/69/988112469.db2.gz QYKVFCQWLJZTIK-VXGBXAGGSA-N 2 2 246.395 2.035 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001246582145 988112485 /nfs/dbraw/zinc/11/24/85/988112485.db2.gz QYKVFCQWLJZTIK-VXGBXAGGSA-N 2 2 246.395 2.035 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665858 988403350 /nfs/dbraw/zinc/40/33/50/988403350.db2.gz UVBQHDOEKMHLFU-WISYIIOYSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665858 988403357 /nfs/dbraw/zinc/40/33/57/988403357.db2.gz UVBQHDOEKMHLFU-WISYIIOYSA-N 2 2 244.329 2.104 20 0 BEADLP CCCC[C@@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246671172 988416128 /nfs/dbraw/zinc/41/61/28/988416128.db2.gz AFLHBOHQZOLYSA-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246671172 988416134 /nfs/dbraw/zinc/41/61/34/988416134.db2.gz AFLHBOHQZOLYSA-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C(F)F)C2)C[NH2+]1 ZINC001246805817 988485293 /nfs/dbraw/zinc/48/52/93/988485293.db2.gz DVQGIMDSSFJMQO-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C(F)F)C2)C[NH2+]1 ZINC001246805817 988485304 /nfs/dbraw/zinc/48/53/04/988485304.db2.gz DVQGIMDSSFJMQO-OUAUKWLOSA-N 2 2 232.318 2.104 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246811445 988499049 /nfs/dbraw/zinc/49/90/49/988499049.db2.gz DAUMIXDUKHYYCT-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246811445 988499057 /nfs/dbraw/zinc/49/90/57/988499057.db2.gz DAUMIXDUKHYYCT-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863555 988611859 /nfs/dbraw/zinc/61/18/59/988611859.db2.gz QPRLIPPBQSKXJZ-DGCLKSJQSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863555 988611869 /nfs/dbraw/zinc/61/18/69/988611869.db2.gz QPRLIPPBQSKXJZ-DGCLKSJQSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246874963 988643187 /nfs/dbraw/zinc/64/31/87/988643187.db2.gz YACZOTQEKGIESG-IUODEOHRSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246874963 988643196 /nfs/dbraw/zinc/64/31/96/988643196.db2.gz YACZOTQEKGIESG-IUODEOHRSA-N 2 2 230.355 2.185 20 0 BEADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246922092 988741774 /nfs/dbraw/zinc/74/17/74/988741774.db2.gz UOKCZJFIRWWVPH-JSGCOSHPSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246922092 988741783 /nfs/dbraw/zinc/74/17/83/988741783.db2.gz UOKCZJFIRWWVPH-JSGCOSHPSA-N 2 2 224.392 2.351 20 0 BEADLP CCCCCC[C@@H](CC)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982137 988816482 /nfs/dbraw/zinc/81/64/82/988816482.db2.gz CJELLZREWJRMKO-HZSPNIEDSA-N 2 2 242.407 2.393 20 0 BEADLP CCCCCC[C@@H](CC)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982137 988816486 /nfs/dbraw/zinc/81/64/86/988816486.db2.gz CJELLZREWJRMKO-HZSPNIEDSA-N 2 2 242.407 2.393 20 0 BEADLP CCCCCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990812 988825876 /nfs/dbraw/zinc/82/58/76/988825876.db2.gz RHSSGTPGGHYZGE-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP CCCCCC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246990812 988825878 /nfs/dbraw/zinc/82/58/78/988825878.db2.gz RHSSGTPGGHYZGE-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc2n1CCC2 ZINC001248824917 989183073 /nfs/dbraw/zinc/18/30/73/989183073.db2.gz IIPZNEUDVJCKSS-UHFFFAOYSA-N 2 2 249.402 2.208 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2n1CCC2 ZINC001248824917 989183077 /nfs/dbraw/zinc/18/30/77/989183077.db2.gz IIPZNEUDVJCKSS-UHFFFAOYSA-N 2 2 249.402 2.208 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(F)cc1F ZINC001326074647 989362877 /nfs/dbraw/zinc/36/28/77/989362877.db2.gz GXDYVSFNOYBANN-VIFPVBQESA-N 2 2 228.286 2.052 20 0 BEADLP Cc1cc(F)cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC001120851616 989925857 /nfs/dbraw/zinc/92/58/57/989925857.db2.gz XWQFHIMAQRLPLX-CQSZACIVSA-N 2 2 249.333 2.061 20 0 BEADLP Cc1cc(F)cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC001120851616 989925864 /nfs/dbraw/zinc/92/58/64/989925864.db2.gz XWQFHIMAQRLPLX-CQSZACIVSA-N 2 2 249.333 2.061 20 0 BEADLP Cc1[nH+]cn([C@@H](C)Cc2ccco2)c1CC[NH3+] ZINC001258176380 991076369 /nfs/dbraw/zinc/07/63/69/991076369.db2.gz SRYWKWPINJZHEO-JTQLQIEISA-N 2 2 233.315 2.089 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258181772 991082391 /nfs/dbraw/zinc/08/23/91/991082391.db2.gz SXQUSHYCNFIWLD-OCCSQVGLSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258181772 991082397 /nfs/dbraw/zinc/08/23/97/991082397.db2.gz SXQUSHYCNFIWLD-OCCSQVGLSA-N 2 2 248.370 2.285 20 0 BEADLP CSCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258224083 991156959 /nfs/dbraw/zinc/15/69/59/991156959.db2.gz KPSDJWZUBFXUFH-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258224083 991156963 /nfs/dbraw/zinc/15/69/63/991156963.db2.gz KPSDJWZUBFXUFH-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258224083 991156964 /nfs/dbraw/zinc/15/69/64/991156964.db2.gz KPSDJWZUBFXUFH-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258224083 991156965 /nfs/dbraw/zinc/15/69/65/991156965.db2.gz KPSDJWZUBFXUFH-RWMBFGLXSA-N 2 2 242.432 2.154 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258456588 991410332 /nfs/dbraw/zinc/41/03/32/991410332.db2.gz OHOMWDHIDPXPFJ-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258456588 991410336 /nfs/dbraw/zinc/41/03/36/991410336.db2.gz OHOMWDHIDPXPFJ-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001258612893 991536296 /nfs/dbraw/zinc/53/62/96/991536296.db2.gz HUIUXFMMRYLHML-ZIAGYGMSSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC001575358115 993022275 /nfs/dbraw/zinc/02/22/75/993022275.db2.gz NHHOMPAITIEUJN-UHFFFAOYSA-N 2 2 224.348 2.404 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccc(F)cc1Cl ZINC001576150427 993190897 /nfs/dbraw/zinc/19/08/97/993190897.db2.gz YYCPAKSCOJXCJX-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccc(F)cc1Cl ZINC001576150427 993190899 /nfs/dbraw/zinc/19/08/99/993190899.db2.gz YYCPAKSCOJXCJX-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1CF ZINC001576488814 993320361 /nfs/dbraw/zinc/32/03/61/993320361.db2.gz GUDTURKPBCJNBS-ZDUSSCGKSA-N 2 2 236.334 2.386 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc2c1OCC2 ZINC001577397223 993641957 /nfs/dbraw/zinc/64/19/57/993641957.db2.gz QPKIPFJNLWIDJU-AWEZNQCLSA-N 2 2 248.370 2.229 20 0 BEADLP C1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C12CCCCC2 ZINC000386954097 993698582 /nfs/dbraw/zinc/69/85/82/993698582.db2.gz XIXJHKJIJLIRQL-VXGBXAGGSA-N 2 2 208.349 2.051 20 0 BEADLP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC001333825484 994528228 /nfs/dbraw/zinc/52/82/28/994528228.db2.gz HGEOIWRIXPQBRE-MGPQQGTHSA-N 2 2 245.370 2.248 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1 ZINC001308180797 995594374 /nfs/dbraw/zinc/59/43/74/995594374.db2.gz PNSPPFAJDHWDQB-UHFFFAOYSA-N 2 2 241.338 2.437 20 0 BEADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745300 1170710173 /nfs/dbraw/zinc/71/01/73/1170710173.db2.gz RHCUBEQKUFOXHZ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745300 1170710180 /nfs/dbraw/zinc/71/01/80/1170710180.db2.gz RHCUBEQKUFOXHZ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[C@@H]3CCC[C@H]13)CC2 ZINC001621269995 1170755157 /nfs/dbraw/zinc/75/51/57/1170755157.db2.gz KTOLJSBKOTXNQX-XDQVBPFNSA-N 2 2 245.370 2.366 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000045653458 1171453227 /nfs/dbraw/zinc/45/32/27/1171453227.db2.gz LXPWXYNTYROZCQ-QWHCGFSZSA-N 2 2 236.359 2.283 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000045653458 1171453228 /nfs/dbraw/zinc/45/32/28/1171453228.db2.gz LXPWXYNTYROZCQ-QWHCGFSZSA-N 2 2 236.359 2.283 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]CCCn1cc[nH+]c1 ZINC000049328056 1171688549 /nfs/dbraw/zinc/68/85/49/1171688549.db2.gz NSKYLJVGTSZWPA-GFCCVEGCSA-N 2 2 233.315 2.087 20 0 BEADLP CCc1cccc2c(C[N@@H+]3CC[C@H]([NH3+])C3)c[nH]c21 ZINC000050228020 1171776390 /nfs/dbraw/zinc/77/63/90/1171776390.db2.gz VCJSDSGXOQJZKO-ZDUSSCGKSA-N 2 2 243.354 2.263 20 0 BEADLP CCc1cccc2c(C[N@H+]3CC[C@H]([NH3+])C3)c[nH]c21 ZINC000050228020 1171776397 /nfs/dbraw/zinc/77/63/97/1171776397.db2.gz VCJSDSGXOQJZKO-ZDUSSCGKSA-N 2 2 243.354 2.263 20 0 BEADLP c1[nH]cc(C2CC[NH+](CCOCC3CC3)CC2)[nH+]1 ZINC000336728903 398136520 /nfs/dbraw/zinc/13/65/20/398136520.db2.gz NUSCLPYFFYGLNZ-UHFFFAOYSA-N 2 2 249.358 2.016 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cs1 ZINC000414994247 398137833 /nfs/dbraw/zinc/13/78/33/398137833.db2.gz UQBNGYPJHXJBGX-QMMMGPOBSA-N 2 2 218.753 2.228 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000161614974 349476579 /nfs/dbraw/zinc/47/65/79/349476579.db2.gz KLZGUIAFNOXADE-VXGBXAGGSA-N 2 2 236.359 2.414 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000161614974 349476581 /nfs/dbraw/zinc/47/65/81/349476581.db2.gz KLZGUIAFNOXADE-VXGBXAGGSA-N 2 2 236.359 2.414 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000092345937 178003936 /nfs/dbraw/zinc/00/39/36/178003936.db2.gz WSISHLDCPAZTDQ-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000092345937 178003937 /nfs/dbraw/zinc/00/39/37/178003937.db2.gz WSISHLDCPAZTDQ-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(F)c1 ZINC000313277441 398180735 /nfs/dbraw/zinc/18/07/35/398180735.db2.gz DXIFIQOORZZZSC-NSHDSACASA-N 2 2 247.317 2.453 20 0 BEADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(F)c1F ZINC000423021860 398161873 /nfs/dbraw/zinc/16/18/73/398161873.db2.gz GJKOQHOMOBFCRJ-IUCAKERBSA-N 2 2 240.297 2.223 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000415119569 398163003 /nfs/dbraw/zinc/16/30/03/398163003.db2.gz IHGJNEFLVUPXEZ-AWEZNQCLSA-N 2 2 248.370 2.267 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000415119569 398163008 /nfs/dbraw/zinc/16/30/08/398163008.db2.gz IHGJNEFLVUPXEZ-AWEZNQCLSA-N 2 2 248.370 2.267 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235652434 178066893 /nfs/dbraw/zinc/06/68/93/178066893.db2.gz XBGPOQWFJDSJPL-GWCFXTLKSA-N 2 2 238.762 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235652434 178066895 /nfs/dbraw/zinc/06/68/95/178066895.db2.gz XBGPOQWFJDSJPL-GWCFXTLKSA-N 2 2 238.762 2.427 20 0 BEADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(O)c1 ZINC000313297573 398190018 /nfs/dbraw/zinc/19/00/18/398190018.db2.gz LTOZLUXNBCBMCH-NSHDSACASA-N 2 2 245.326 2.019 20 0 BEADLP CC1=CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000576237655 365534271 /nfs/dbraw/zinc/53/42/71/365534271.db2.gz GAIOCYHYCIJAND-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP CC1=CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000576237655 365534272 /nfs/dbraw/zinc/53/42/72/365534272.db2.gz GAIOCYHYCIJAND-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000368719684 178116252 /nfs/dbraw/zinc/11/62/52/178116252.db2.gz RCMYAHBCCAQEBJ-NSHDSACASA-N 2 2 243.314 2.158 20 0 BEADLP Cc1nc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000069720610 398213539 /nfs/dbraw/zinc/21/35/39/398213539.db2.gz IGZWVBVUEPJMAN-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1nc(C[N@H+]2CCCC[C@H]2CC[NH3+])cs1 ZINC000069720610 398213540 /nfs/dbraw/zinc/21/35/40/398213540.db2.gz IGZWVBVUEPJMAN-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000576338129 365569549 /nfs/dbraw/zinc/56/95/49/365569549.db2.gz PZHKXCQYFXWQBT-OLZOCXBDSA-N 2 2 230.311 2.402 20 0 BEADLP Cc1cc(NC[C@@H](C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000037988035 178164951 /nfs/dbraw/zinc/16/49/51/178164951.db2.gz PFHWCYVMKOBLRM-LLVKDONJSA-N 2 2 236.363 2.270 20 0 BEADLP Cc1cc(NCCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265396220 178160247 /nfs/dbraw/zinc/16/02/47/178160247.db2.gz WKEZWZJYWXZWIR-UHFFFAOYSA-N 2 2 234.347 2.026 20 0 BEADLP Cc1cc(NCCC[NH+]2CCCCC2)nc[nH+]1 ZINC000301275818 178160617 /nfs/dbraw/zinc/16/06/17/178160617.db2.gz WKRIHELQUCGDRQ-UHFFFAOYSA-N 2 2 234.347 2.073 20 0 BEADLP Cc1cc(NCC[N@@H+](C)C2CCCCC2)nc[nH+]1 ZINC000301237110 178160665 /nfs/dbraw/zinc/16/06/65/178160665.db2.gz MBWUOFDSZOPJLS-UHFFFAOYSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NCC[N@H+](C)C2CCCCC2)nc[nH+]1 ZINC000301237110 178160667 /nfs/dbraw/zinc/16/06/67/178160667.db2.gz MBWUOFDSZOPJLS-UHFFFAOYSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NCC[C@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000110798656 178163528 /nfs/dbraw/zinc/16/35/28/178163528.db2.gz NEUNYGAFGHDLOF-GFCCVEGCSA-N 2 2 248.374 2.320 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC23CC3)c[nH+]1 ZINC000644904847 398225917 /nfs/dbraw/zinc/22/59/17/398225917.db2.gz UOVGPBGIGXIXLT-ZDUSSCGKSA-N 2 2 216.328 2.465 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421365733 192334054 /nfs/dbraw/zinc/33/40/54/192334054.db2.gz CBJXQBPMWWZKCN-UKRRQHHQSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000421365733 192334056 /nfs/dbraw/zinc/33/40/56/192334056.db2.gz CBJXQBPMWWZKCN-UKRRQHHQSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)no1 ZINC000371206008 178240770 /nfs/dbraw/zinc/24/07/70/178240770.db2.gz WLQNMBNTLOEOAN-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)no1 ZINC000371206008 178240771 /nfs/dbraw/zinc/24/07/71/178240771.db2.gz WLQNMBNTLOEOAN-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)no1 ZINC000337463805 178247141 /nfs/dbraw/zinc/24/71/41/178247141.db2.gz SEWHUVIRUBMTKB-LBPRGKRZSA-N 2 2 237.347 2.120 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)o1 ZINC000044730068 178253916 /nfs/dbraw/zinc/25/39/16/178253916.db2.gz XPSHMHXKOODOAF-CMPLNLGQSA-N 2 2 222.332 2.299 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)o1 ZINC000235516025 178251209 /nfs/dbraw/zinc/25/12/09/178251209.db2.gz PCQJZLQDPRIEOE-CMPLNLGQSA-N 2 2 222.332 2.299 20 0 BEADLP C[NH+](C)Cc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000649436576 398238129 /nfs/dbraw/zinc/23/81/29/398238129.db2.gz LDVPFXQJPVBKBW-UHFFFAOYSA-N 2 2 201.273 2.138 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1C ZINC000336700427 398239974 /nfs/dbraw/zinc/23/99/74/398239974.db2.gz PIEMSMFBPADAIQ-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP C[N@H+](Cc1cccc(C2CC2)c1)[C@H]1CC[NH2+]C1 ZINC000094522108 398245043 /nfs/dbraw/zinc/24/50/43/398245043.db2.gz GUUMYNYEMLQSIL-HNNXBMFYSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CC[NH2+]C1 ZINC000094522108 398245047 /nfs/dbraw/zinc/24/50/47/398245047.db2.gz GUUMYNYEMLQSIL-HNNXBMFYSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000576637621 365646236 /nfs/dbraw/zinc/64/62/36/365646236.db2.gz UJSVQMNEDWWQRJ-LLVKDONJSA-N 2 2 236.334 2.354 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000576637621 365646240 /nfs/dbraw/zinc/64/62/40/365646240.db2.gz UJSVQMNEDWWQRJ-LLVKDONJSA-N 2 2 236.334 2.354 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C1 ZINC000381407608 398256197 /nfs/dbraw/zinc/25/61/97/398256197.db2.gz RBBAAJFERYJOIQ-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C1 ZINC000381407608 398256200 /nfs/dbraw/zinc/25/62/00/398256200.db2.gz RBBAAJFERYJOIQ-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C1 ZINC000381407609 398256378 /nfs/dbraw/zinc/25/63/78/398256378.db2.gz RBBAAJFERYJOIQ-RDBSUJKOSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C1 ZINC000381407609 398256382 /nfs/dbraw/zinc/25/63/82/398256382.db2.gz RBBAAJFERYJOIQ-RDBSUJKOSA-N 2 2 242.407 2.121 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]Cc2c[nH+]cn2C)o1 ZINC000289873084 538946507 /nfs/dbraw/zinc/94/65/07/538946507.db2.gz RNVYYWAJBJQBDS-SNVBAGLBSA-N 2 2 233.315 2.426 20 0 BEADLP CCC(CC)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000053343748 168388443 /nfs/dbraw/zinc/38/84/43/168388443.db2.gz ZTICBEGUGPDJSR-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000053343748 168388446 /nfs/dbraw/zinc/38/84/46/168388446.db2.gz ZTICBEGUGPDJSR-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000053343749 168388557 /nfs/dbraw/zinc/38/85/57/168388557.db2.gz ZTICBEGUGPDJSR-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000053343749 168388558 /nfs/dbraw/zinc/38/85/58/168388558.db2.gz ZTICBEGUGPDJSR-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c[nH+]1 ZINC000607753689 342789956 /nfs/dbraw/zinc/78/99/56/342789956.db2.gz CCGOMRWBFDFVQF-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](Cc3ccncc3)C2)c[nH+]1 ZINC000607753689 342789957 /nfs/dbraw/zinc/78/99/57/342789957.db2.gz CCGOMRWBFDFVQF-CQSZACIVSA-N 2 2 242.326 2.115 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040671882 538972111 /nfs/dbraw/zinc/97/21/11/538972111.db2.gz PHIOUENANNZHAT-OLZOCXBDSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040671882 538972112 /nfs/dbraw/zinc/97/21/12/538972112.db2.gz PHIOUENANNZHAT-OLZOCXBDSA-N 2 2 248.370 2.440 20 0 BEADLP CC1(C[NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000309732262 342814150 /nfs/dbraw/zinc/81/41/50/342814150.db2.gz BLLISBQAODWEPN-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C[NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000309732262 342814152 /nfs/dbraw/zinc/81/41/52/342814152.db2.gz BLLISBQAODWEPN-UHFFFAOYSA-N 2 2 224.392 2.498 20 0 BEADLP Cn1cc[nH+]c1-c1ccc2c(c1)[C@@H]([NH3+])CSC2 ZINC000630053670 361923424 /nfs/dbraw/zinc/92/34/24/361923424.db2.gz XRFXBWAPFMZXKW-LBPRGKRZSA-N 2 2 245.351 2.334 20 0 BEADLP Cn1cc[nH+]c1-c1cccc(C[C@H]2CC[NH2+]C2)c1 ZINC000630053402 361923437 /nfs/dbraw/zinc/92/34/37/361923437.db2.gz URZKKNXPBTYFSA-CYBMUJFWSA-N 2 2 241.338 2.239 20 0 BEADLP C[C@H]([NH3+])CCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000630053802 361924978 /nfs/dbraw/zinc/92/49/78/361924978.db2.gz ZQAZOBAIRCQXSF-NSHDSACASA-N 2 2 229.327 2.367 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000393920906 344004079 /nfs/dbraw/zinc/00/40/79/344004079.db2.gz HTADNLOOGBRVAS-CYBMUJFWSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000393920906 344004082 /nfs/dbraw/zinc/00/40/82/344004082.db2.gz HTADNLOOGBRVAS-CYBMUJFWSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1cccc(N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000044725818 538990385 /nfs/dbraw/zinc/99/03/85/538990385.db2.gz MBEUVLYYUOMYRZ-NSHDSACASA-N 2 2 217.316 2.039 20 0 BEADLP Cc1cccc(N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000044725818 538990386 /nfs/dbraw/zinc/99/03/86/538990386.db2.gz MBEUVLYYUOMYRZ-NSHDSACASA-N 2 2 217.316 2.039 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000381746695 539006230 /nfs/dbraw/zinc/00/62/30/539006230.db2.gz QEUZZLKCCCKQSP-LBPRGKRZSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000381746695 539006231 /nfs/dbraw/zinc/00/62/31/539006231.db2.gz QEUZZLKCCCKQSP-LBPRGKRZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000381419584 539000395 /nfs/dbraw/zinc/00/03/95/539000395.db2.gz WWZRDGNWYFIDPF-MCIONIFRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419584 539000396 /nfs/dbraw/zinc/00/03/96/539000396.db2.gz WWZRDGNWYFIDPF-MCIONIFRSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000335644855 136243199 /nfs/dbraw/zinc/24/31/99/136243199.db2.gz VTBZCXKWNJQQDW-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP CCOCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000351332732 136244319 /nfs/dbraw/zinc/24/43/19/136244319.db2.gz UKXOJCILEMFMNS-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CCOCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000351332732 136244320 /nfs/dbraw/zinc/24/43/20/136244320.db2.gz UKXOJCILEMFMNS-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1ccco1 ZINC000013734485 342870903 /nfs/dbraw/zinc/87/09/03/342870903.db2.gz YENPEIGFGMNMGM-UHFFFAOYSA-N 2 2 210.321 2.101 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)C(C)C ZINC000037202018 342924794 /nfs/dbraw/zinc/92/47/94/342924794.db2.gz ISDWCZRJHQXZIC-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1sccc1Cl ZINC000308582592 346885566 /nfs/dbraw/zinc/88/55/66/346885566.db2.gz KOGUEJQPDCMECX-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1sccc1Cl ZINC000308582592 346885570 /nfs/dbraw/zinc/88/55/70/346885570.db2.gz KOGUEJQPDCMECX-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP CC[N@H+](CC[NH2+]CCCC(C)C)C1CC1 ZINC000053377276 346888082 /nfs/dbraw/zinc/88/80/82/346888082.db2.gz HXZXEIHRUIXLAH-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](CC[NH2+]CCCC(C)C)C1CC1 ZINC000053377276 346888084 /nfs/dbraw/zinc/88/80/84/346888084.db2.gz HXZXEIHRUIXLAH-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@H](C)F ZINC000351868685 136258823 /nfs/dbraw/zinc/25/88/23/136258823.db2.gz GJEBGUAIJWIEBV-WCQYABFASA-N 2 2 239.338 2.404 20 0 BEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@H](C)F ZINC000351868685 136258824 /nfs/dbraw/zinc/25/88/24/136258824.db2.gz GJEBGUAIJWIEBV-WCQYABFASA-N 2 2 239.338 2.404 20 0 BEADLP C[C@@H]1C[NH+](CCn2cc[nH+]c2)C[C@@H](C)C1(F)F ZINC000625656198 344025724 /nfs/dbraw/zinc/02/57/24/344025724.db2.gz ZVPZDRNEFVWLLQ-GHMZBOCLSA-N 2 2 243.301 2.106 20 0 BEADLP Cc1ccc2[nH+]c(CSCC[NH+](C)C)cn2c1 ZINC000176246247 365697164 /nfs/dbraw/zinc/69/71/64/365697164.db2.gz UCMGHXRVOBHORV-UHFFFAOYSA-N 2 2 249.383 2.438 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCCCCF ZINC000565221269 323034207 /nfs/dbraw/zinc/03/42/07/323034207.db2.gz GRZHQGUWORCXBG-UHFFFAOYSA-N 2 2 228.355 2.330 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCCCCF ZINC000565221269 323034208 /nfs/dbraw/zinc/03/42/08/323034208.db2.gz GRZHQGUWORCXBG-UHFFFAOYSA-N 2 2 228.355 2.330 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc2ccccc2o1 ZINC000231360924 488201314 /nfs/dbraw/zinc/20/13/14/488201314.db2.gz OVYBCEDAJANPGY-UHFFFAOYSA-N 2 2 218.300 2.213 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc2ccccc2o1 ZINC000231360924 488201322 /nfs/dbraw/zinc/20/13/22/488201322.db2.gz OVYBCEDAJANPGY-UHFFFAOYSA-N 2 2 218.300 2.213 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000128848812 343175527 /nfs/dbraw/zinc/17/55/27/343175527.db2.gz MQPHYMOMWIRMAT-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000128848812 343175528 /nfs/dbraw/zinc/17/55/28/343175528.db2.gz MQPHYMOMWIRMAT-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000132500610 343188080 /nfs/dbraw/zinc/18/80/80/343188080.db2.gz SLXIBWQBUOXNFZ-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CCCC[C@H](CC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000068986858 343254508 /nfs/dbraw/zinc/25/45/08/343254508.db2.gz IUQJSBFZTBICDZ-NEPJUHHUSA-N 2 2 200.370 2.495 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000668154133 488210844 /nfs/dbraw/zinc/21/08/44/488210844.db2.gz GBIKKAPZACIWOM-YUTCNCBUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC000038087711 343369796 /nfs/dbraw/zinc/36/97/96/343369796.db2.gz CTBGZFDWRBHUGR-SWLSCSKDSA-N 2 2 232.371 2.084 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000038090810 343370469 /nfs/dbraw/zinc/37/04/69/343370469.db2.gz MUWOZCMKMYCFPE-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335634953 136300612 /nfs/dbraw/zinc/30/06/12/136300612.db2.gz IDXJBQANFLBVJW-TVQRCGJNSA-N 2 2 240.297 2.052 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)CC)C1 ZINC000070562934 343335123 /nfs/dbraw/zinc/33/51/23/343335123.db2.gz YARXGHGLDRQXHR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)CC)C1 ZINC000070562934 343335124 /nfs/dbraw/zinc/33/51/24/343335124.db2.gz YARXGHGLDRQXHR-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037158351 343337320 /nfs/dbraw/zinc/33/73/20/343337320.db2.gz ROQMYRJVESLELF-CHWSQXEVSA-N 2 2 247.342 2.476 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccco1 ZINC000037157942 343337436 /nfs/dbraw/zinc/33/74/36/343337436.db2.gz BGYNRLXVMJLTOI-GHMZBOCLSA-N 2 2 219.288 2.215 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000037213836 343339610 /nfs/dbraw/zinc/33/96/10/343339610.db2.gz BCZRSVBWTKKRAV-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C(C)C ZINC000037213836 343339612 /nfs/dbraw/zinc/33/96/12/343339612.db2.gz BCZRSVBWTKKRAV-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[C@H]1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348838068 136302087 /nfs/dbraw/zinc/30/20/87/136302087.db2.gz LUKKZUFAGWMUCU-YPMHNXCESA-N 2 2 242.326 2.394 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335644338 136303805 /nfs/dbraw/zinc/30/38/05/136303805.db2.gz TXGVUIRMRIRPPJ-NSHDSACASA-N 2 2 224.373 2.288 20 0 BEADLP CC[N@@H+]1CCC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000037494187 343347398 /nfs/dbraw/zinc/34/73/98/343347398.db2.gz RUPSEPSXBBQDRX-NSHDSACASA-N 2 2 244.342 2.459 20 0 BEADLP CC[N@H+]1CCC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000037494187 343347399 /nfs/dbraw/zinc/34/73/99/343347399.db2.gz RUPSEPSXBBQDRX-NSHDSACASA-N 2 2 244.342 2.459 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1Cl ZINC000335640832 136308692 /nfs/dbraw/zinc/30/86/92/136308692.db2.gz ATJXLPMOQHIIKN-NSHDSACASA-N 2 2 224.735 2.100 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2sccc2C1 ZINC000335667431 136311728 /nfs/dbraw/zinc/31/17/28/136311728.db2.gz WLCICMBIKRNFID-UHFFFAOYSA-N 2 2 247.367 2.082 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCc2sccc2C1 ZINC000335667431 136311729 /nfs/dbraw/zinc/31/17/29/136311729.db2.gz WLCICMBIKRNFID-UHFFFAOYSA-N 2 2 247.367 2.082 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]CCn1cc[nH+]c1 ZINC000041064078 343415028 /nfs/dbraw/zinc/41/50/28/343415028.db2.gz ODBKVZMCEOTXRW-LBPRGKRZSA-N 2 2 233.315 2.087 20 0 BEADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000041259974 343417655 /nfs/dbraw/zinc/41/76/55/343417655.db2.gz ZSTKZTYCZZEZOI-CQSZACIVSA-N 2 2 232.371 2.161 20 0 BEADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000041259974 343417658 /nfs/dbraw/zinc/41/76/58/343417658.db2.gz ZSTKZTYCZZEZOI-CQSZACIVSA-N 2 2 232.371 2.161 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000335679698 136319817 /nfs/dbraw/zinc/31/98/17/136319817.db2.gz UIMIGEDSXPJUBM-LLVKDONJSA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000335679698 136319818 /nfs/dbraw/zinc/31/98/18/136319818.db2.gz UIMIGEDSXPJUBM-LLVKDONJSA-N 2 2 232.352 2.434 20 0 BEADLP Clc1c[nH+]ccc1NCCNc1cccc[nH+]1 ZINC000350254931 136356897 /nfs/dbraw/zinc/35/68/97/136356897.db2.gz RTFANUSVRIIRHA-UHFFFAOYSA-N 2 2 248.717 2.076 20 0 BEADLP Cc1cc(NCC[C@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000166852590 136364280 /nfs/dbraw/zinc/36/42/80/136364280.db2.gz DRODJSLOIUHGOO-GFCCVEGCSA-N 2 2 248.374 2.462 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000083055411 343475976 /nfs/dbraw/zinc/47/59/76/343475976.db2.gz ISRFXNOCPVAUCN-ZYHUDNBSSA-N 2 2 207.321 2.050 20 0 BEADLP Cc1cncc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000582130676 346942293 /nfs/dbraw/zinc/94/22/93/346942293.db2.gz KKALZYIENNUODR-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000582130676 346942296 /nfs/dbraw/zinc/94/22/96/346942296.db2.gz KKALZYIENNUODR-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000582130676 346942298 /nfs/dbraw/zinc/94/22/98/346942298.db2.gz KKALZYIENNUODR-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000582130676 346942301 /nfs/dbraw/zinc/94/23/01/346942301.db2.gz KKALZYIENNUODR-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082837367 343468228 /nfs/dbraw/zinc/46/82/28/343468228.db2.gz VNKPUXKAJDSMJM-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082837367 343468230 /nfs/dbraw/zinc/46/82/30/343468230.db2.gz VNKPUXKAJDSMJM-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C(C)C)C1 ZINC000379948011 365759987 /nfs/dbraw/zinc/75/99/87/365759987.db2.gz RRSAXNBVTYVVSY-FRRDWIJNSA-N 2 2 212.381 2.208 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C(C)C)C1 ZINC000379948011 365759992 /nfs/dbraw/zinc/75/99/92/365759992.db2.gz RRSAXNBVTYVVSY-FRRDWIJNSA-N 2 2 212.381 2.208 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958375 365764067 /nfs/dbraw/zinc/76/40/67/365764067.db2.gz GODSGZHAAVXPRL-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000379958375 365764070 /nfs/dbraw/zinc/76/40/70/365764070.db2.gz GODSGZHAAVXPRL-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000070975901 343579810 /nfs/dbraw/zinc/57/98/10/343579810.db2.gz RVRUAEHKQRRUMV-HNNXBMFYSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2ccncc2)C1 ZINC000070975901 343579811 /nfs/dbraw/zinc/57/98/11/343579811.db2.gz RVRUAEHKQRRUMV-HNNXBMFYSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccn1 ZINC000049553104 343602120 /nfs/dbraw/zinc/60/21/20/343602120.db2.gz XJAGGURWCVNXHL-VXGBXAGGSA-N 2 2 221.348 2.072 20 0 BEADLP CCc1nc(C[NH2+][C@@H](C)CC[NH+](C)C)cs1 ZINC000050165341 343610546 /nfs/dbraw/zinc/61/05/46/343610546.db2.gz BHVLIZRDLHZVLK-JTQLQIEISA-N 2 2 241.404 2.135 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCC1(C)C ZINC000086857334 343630225 /nfs/dbraw/zinc/63/02/25/343630225.db2.gz GYGXKVVQWOIUEB-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCC1(C)C ZINC000086857334 343630228 /nfs/dbraw/zinc/63/02/28/343630228.db2.gz GYGXKVVQWOIUEB-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769585 343660058 /nfs/dbraw/zinc/66/00/58/343660058.db2.gz JHYUYVOXLPZESL-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cc(NCC[N@H+](C)C2CCCC2)nc[nH+]1 ZINC000071377579 343663596 /nfs/dbraw/zinc/66/35/96/343663596.db2.gz SKHGDKQBXASKJK-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1cc(NCC[N@@H+](C)C2CCCC2)nc[nH+]1 ZINC000071377579 343663599 /nfs/dbraw/zinc/66/35/99/343663599.db2.gz SKHGDKQBXASKJK-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CC(C)CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434757 343735985 /nfs/dbraw/zinc/73/59/85/343735985.db2.gz HKECBUIUPPIPBZ-UHFFFAOYSA-N 2 2 207.321 2.204 20 0 BEADLP CC(C)CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434757 343735986 /nfs/dbraw/zinc/73/59/86/343735986.db2.gz HKECBUIUPPIPBZ-UHFFFAOYSA-N 2 2 207.321 2.204 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000584166979 343767731 /nfs/dbraw/zinc/76/77/31/343767731.db2.gz YBYHDCIARIXDED-UONOGXRCSA-N 2 2 233.359 2.140 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336663798 537817004 /nfs/dbraw/zinc/81/70/04/537817004.db2.gz KYYVBDUUYKZNLG-OLZOCXBDSA-N 2 2 221.348 2.297 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027555 343784005 /nfs/dbraw/zinc/78/40/05/343784005.db2.gz RXQFPWJAHTYHBZ-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027555 343784006 /nfs/dbraw/zinc/78/40/06/343784006.db2.gz RXQFPWJAHTYHBZ-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784543 343907511 /nfs/dbraw/zinc/90/75/11/343907511.db2.gz QLJQPEIFCDXBNM-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000621784543 343907513 /nfs/dbraw/zinc/90/75/13/343907513.db2.gz QLJQPEIFCDXBNM-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1F ZINC000110976533 178608622 /nfs/dbraw/zinc/60/86/22/178608622.db2.gz WWQHHBOSXAGZSZ-UHFFFAOYSA-N 2 2 233.290 2.120 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)C[N@@H+]1C1CC1 ZINC000132863927 344309922 /nfs/dbraw/zinc/30/99/22/344309922.db2.gz ONENFHJQTVEEIY-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)C[N@H+]1C1CC1 ZINC000132863927 344309923 /nfs/dbraw/zinc/30/99/23/344309923.db2.gz ONENFHJQTVEEIY-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000385215341 344377287 /nfs/dbraw/zinc/37/72/87/344377287.db2.gz ZKHQIIHGFKFPFH-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000385215341 344377290 /nfs/dbraw/zinc/37/72/90/344377290.db2.gz ZKHQIIHGFKFPFH-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP CCCCc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000634808575 344393074 /nfs/dbraw/zinc/39/30/74/344393074.db2.gz WTGABAXTXMSKHE-DGCLKSJQSA-N 2 2 248.374 2.372 20 0 BEADLP CCCCc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000634808577 344393148 /nfs/dbraw/zinc/39/31/48/344393148.db2.gz WTGABAXTXMSKHE-YPMHNXCESA-N 2 2 248.374 2.372 20 0 BEADLP CCCCc1cc(N[C@@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000634813524 344398547 /nfs/dbraw/zinc/39/85/47/344398547.db2.gz NTQOXLDZFVTIQI-GFCCVEGCSA-N 2 2 248.374 2.373 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000104827810 344461642 /nfs/dbraw/zinc/46/16/42/344461642.db2.gz QCCKCKKBPKZACE-ZDUSSCGKSA-N 2 2 247.342 2.203 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000104827810 344461643 /nfs/dbraw/zinc/46/16/43/344461643.db2.gz QCCKCKKBPKZACE-ZDUSSCGKSA-N 2 2 247.342 2.203 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044686563 344543897 /nfs/dbraw/zinc/54/38/97/344543897.db2.gz PITDMVZPJMRPTB-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044686563 344543900 /nfs/dbraw/zinc/54/39/00/344543900.db2.gz PITDMVZPJMRPTB-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3F)CC[C@H]21 ZINC000641444178 362421958 /nfs/dbraw/zinc/42/19/58/362421958.db2.gz PCPRYQZTPOTXTP-DGCLKSJQSA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3F)CC[C@H]21 ZINC000641444178 362421964 /nfs/dbraw/zinc/42/19/64/362421964.db2.gz PCPRYQZTPOTXTP-DGCLKSJQSA-N 2 2 249.333 2.141 20 0 BEADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451566 362425579 /nfs/dbraw/zinc/42/55/79/362425579.db2.gz YYMZIARMLZVRFL-AAEUAGOBSA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451566 362425583 /nfs/dbraw/zinc/42/55/83/362425583.db2.gz YYMZIARMLZVRFL-AAEUAGOBSA-N 2 2 249.333 2.141 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000336769243 537849596 /nfs/dbraw/zinc/84/95/96/537849596.db2.gz VMMIBVITZBHPMJ-FRRDWIJNSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000336769243 537849601 /nfs/dbraw/zinc/84/96/01/537849601.db2.gz VMMIBVITZBHPMJ-FRRDWIJNSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@@H+]1CCCC12CCN(c1cc[nH+]cc1F)CC2 ZINC000641477164 362445958 /nfs/dbraw/zinc/44/59/58/362445958.db2.gz VZLRJWORRAKMBQ-UHFFFAOYSA-N 2 2 249.333 2.285 20 0 BEADLP C[N@H+]1CCCC12CCN(c1cc[nH+]cc1F)CC2 ZINC000641477164 362445964 /nfs/dbraw/zinc/44/59/64/362445964.db2.gz VZLRJWORRAKMBQ-UHFFFAOYSA-N 2 2 249.333 2.285 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCC1 ZINC000336781645 537852151 /nfs/dbraw/zinc/85/21/51/537852151.db2.gz VETCTOPJVIKOBK-QWHCGFSZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccco1 ZINC000049553144 344652923 /nfs/dbraw/zinc/65/29/23/344652923.db2.gz KVLZYGFYYXUVPA-MNOVXSKESA-N 2 2 210.321 2.270 20 0 BEADLP CC(C)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152754940 344686614 /nfs/dbraw/zinc/68/66/14/344686614.db2.gz TUSANURUJCLOME-LBPRGKRZSA-N 2 2 235.375 2.396 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000628147056 344831265 /nfs/dbraw/zinc/83/12/65/344831265.db2.gz HUHAOYYQTSKDCX-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000628147056 344831267 /nfs/dbraw/zinc/83/12/67/344831267.db2.gz HUHAOYYQTSKDCX-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1scc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000631089644 344896203 /nfs/dbraw/zinc/89/62/03/344896203.db2.gz XCNVRTSAAPMTOD-TVQRCGJNSA-N 2 2 238.400 2.405 20 0 BEADLP Cc1scc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000631089644 344896204 /nfs/dbraw/zinc/89/62/04/344896204.db2.gz XCNVRTSAAPMTOD-TVQRCGJNSA-N 2 2 238.400 2.405 20 0 BEADLP CC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153795873 344975867 /nfs/dbraw/zinc/97/58/67/344975867.db2.gz VHRJZKLJYNECHM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153795873 344975870 /nfs/dbraw/zinc/97/58/70/344975870.db2.gz VHRJZKLJYNECHM-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CN(CCC[NH+]1CCCC1)c1cc[nH+]cc1F ZINC000641549771 362497375 /nfs/dbraw/zinc/49/73/75/362497375.db2.gz FEGNESCRFGDJGX-UHFFFAOYSA-N 2 2 237.322 2.143 20 0 BEADLP Oc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353304 345032726 /nfs/dbraw/zinc/03/27/26/345032726.db2.gz NOYUPTFVNFBLRC-UHFFFAOYSA-N 2 2 245.326 2.159 20 0 BEADLP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]cc3F)C2)C1 ZINC000641611490 362547614 /nfs/dbraw/zinc/54/76/14/362547614.db2.gz VYKLAGVXHMBHPD-AWEZNQCLSA-N 2 2 249.333 2.143 20 0 BEADLP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]cc3F)C2)C1 ZINC000641611490 362547620 /nfs/dbraw/zinc/54/76/20/362547620.db2.gz VYKLAGVXHMBHPD-AWEZNQCLSA-N 2 2 249.333 2.143 20 0 BEADLP CCCC[N@H+](C)C[C@H](C)Nc1cc[nH+]cc1F ZINC000641601927 362539256 /nfs/dbraw/zinc/53/92/56/362539256.db2.gz LLUYGYVIRAWGPK-NSHDSACASA-N 2 2 239.338 2.175 20 0 BEADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]cc1F ZINC000641601927 362539259 /nfs/dbraw/zinc/53/92/59/362539259.db2.gz LLUYGYVIRAWGPK-NSHDSACASA-N 2 2 239.338 2.175 20 0 BEADLP Fc1c[nH+]ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000641657102 362580952 /nfs/dbraw/zinc/58/09/52/362580952.db2.gz MLMMBTGCUYZTOH-UONOGXRCSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000641657102 362580958 /nfs/dbraw/zinc/58/09/58/362580958.db2.gz MLMMBTGCUYZTOH-UONOGXRCSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000641657101 362581505 /nfs/dbraw/zinc/58/15/05/362581505.db2.gz MLMMBTGCUYZTOH-KGLIPLIRSA-N 2 2 249.333 2.071 20 0 BEADLP Fc1c[nH+]ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000641657101 362581507 /nfs/dbraw/zinc/58/15/07/362581507.db2.gz MLMMBTGCUYZTOH-KGLIPLIRSA-N 2 2 249.333 2.071 20 0 BEADLP C[NH+](C)CCSCCc1[nH]c2ccccc2[nH+]1 ZINC000603330213 349924689 /nfs/dbraw/zinc/92/46/89/349924689.db2.gz NNEBHGSNPTZBPS-UHFFFAOYSA-N 2 2 249.383 2.400 20 0 BEADLP CC[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993459 345190287 /nfs/dbraw/zinc/19/02/87/345190287.db2.gz VMISKNMIBQOOAJ-HSBZDZAISA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634993459 345190289 /nfs/dbraw/zinc/19/02/89/345190289.db2.gz VMISKNMIBQOOAJ-HSBZDZAISA-N 2 2 222.376 2.251 20 0 BEADLP C([N@@H+]1CCC[C@@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634992077 345179817 /nfs/dbraw/zinc/17/98/17/345179817.db2.gz CGPNHMLCRBQMJF-HRDQMINSSA-N 2 2 220.360 2.003 20 0 BEADLP C([N@H+]1CCC[C@@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634992077 345179818 /nfs/dbraw/zinc/17/98/18/345179818.db2.gz CGPNHMLCRBQMJF-HRDQMINSSA-N 2 2 220.360 2.003 20 0 BEADLP C[C@H](c1cccc(O)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992317 345180371 /nfs/dbraw/zinc/18/03/71/345180371.db2.gz LIXVAYZVFQSLNX-XIKARTHZSA-N 2 2 246.354 2.137 20 0 BEADLP C[C@H](c1cccc(O)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992317 345180374 /nfs/dbraw/zinc/18/03/74/345180374.db2.gz LIXVAYZVFQSLNX-XIKARTHZSA-N 2 2 246.354 2.137 20 0 BEADLP CCC1(CC)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992287 345180478 /nfs/dbraw/zinc/18/04/78/345180478.db2.gz KDGKCXTWTRXXQL-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CCC1(CC)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992287 345180479 /nfs/dbraw/zinc/18/04/79/345180479.db2.gz KDGKCXTWTRXXQL-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CC(C)C[N@H+](CC12CC(C1)C[NH2+]2)C(C)C ZINC000634992623 345181188 /nfs/dbraw/zinc/18/11/88/345181188.db2.gz WECDUINCLDFAFV-UHFFFAOYSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)C[N@@H+](CC12CC(C1)C[NH2+]2)C(C)C ZINC000634992623 345181190 /nfs/dbraw/zinc/18/11/90/345181190.db2.gz WECDUINCLDFAFV-UHFFFAOYSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)CC1(C)C ZINC000634994869 345182843 /nfs/dbraw/zinc/18/28/43/345182843.db2.gz OTPFSDCANYGVOS-LKSINWNRSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)CC1(C)C ZINC000634994869 345182846 /nfs/dbraw/zinc/18/28/46/345182846.db2.gz OTPFSDCANYGVOS-LKSINWNRSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)CC23CC(C2)C[NH2+]3)c1 ZINC000634994817 345182886 /nfs/dbraw/zinc/18/28/86/345182886.db2.gz NPCZZUCRUNVVGF-UHFFFAOYSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)CC23CC(C2)C[NH2+]3)c1 ZINC000634994817 345182888 /nfs/dbraw/zinc/18/28/88/345182888.db2.gz NPCZZUCRUNVVGF-UHFFFAOYSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995124 345183538 /nfs/dbraw/zinc/18/35/38/345183538.db2.gz VTSQCCWARUBCEU-BZCXBAJXSA-N 2 2 248.292 2.011 20 0 BEADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995124 345183541 /nfs/dbraw/zinc/18/35/41/345183541.db2.gz VTSQCCWARUBCEU-BZCXBAJXSA-N 2 2 248.292 2.011 20 0 BEADLP CC[C@@]1(C)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992994 345188874 /nfs/dbraw/zinc/18/88/74/345188874.db2.gz IIJMMXNTEAYQBF-MOKVOYLWSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@@]1(C)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992994 345188876 /nfs/dbraw/zinc/18/88/76/345188876.db2.gz IIJMMXNTEAYQBF-MOKVOYLWSA-N 2 2 222.376 2.251 20 0 BEADLP CC1(C[N@@H+]2CCCCC[C@H]([NH3+])C2)CCC1 ZINC000634997093 345194228 /nfs/dbraw/zinc/19/42/28/345194228.db2.gz CSQPEWLCQGOKJI-LBPRGKRZSA-N 2 2 210.365 2.380 20 0 BEADLP CC1(C[N@H+]2CCCCC[C@H]([NH3+])C2)CCC1 ZINC000634997093 345194231 /nfs/dbraw/zinc/19/42/31/345194231.db2.gz CSQPEWLCQGOKJI-LBPRGKRZSA-N 2 2 210.365 2.380 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000634997538 345196069 /nfs/dbraw/zinc/19/60/69/345196069.db2.gz NRASHJNJLXHBEI-LLVKDONJSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1ncsc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000634997538 345196070 /nfs/dbraw/zinc/19/60/70/345196070.db2.gz NRASHJNJLXHBEI-LLVKDONJSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000635006380 345210779 /nfs/dbraw/zinc/21/07/79/345210779.db2.gz MIZMFEXBYKPZIC-IQJOONFLSA-N 2 2 239.388 2.243 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000635006381 345210799 /nfs/dbraw/zinc/21/07/99/345210799.db2.gz MIZMFEXBYKPZIC-KKZNHRDASA-N 2 2 239.388 2.243 20 0 BEADLP C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000635011746 345213858 /nfs/dbraw/zinc/21/38/58/345213858.db2.gz GORJWXSRKPAUMN-TVQRCGJNSA-N 2 2 240.297 2.034 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])o1 ZINC000635008497 345216268 /nfs/dbraw/zinc/21/62/68/345216268.db2.gz KIBDKTRYQPWGGP-STQMWFEESA-N 2 2 222.332 2.338 20 0 BEADLP Cc1scc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000635023000 345222243 /nfs/dbraw/zinc/22/22/43/345222243.db2.gz QUACPLZNOIASHO-ZANVPECISA-N 2 2 238.400 2.453 20 0 BEADLP c1cn(CC[N@@H+]2CCCC3(CC3)CC2)c[nH+]1 ZINC000626114513 345314545 /nfs/dbraw/zinc/31/45/45/345314545.db2.gz JKYQGVZVACHYDB-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP c1cn(CC[N@H+]2CCCC3(CC3)CC2)c[nH+]1 ZINC000626114513 345314548 /nfs/dbraw/zinc/31/45/48/345314548.db2.gz JKYQGVZVACHYDB-UHFFFAOYSA-N 2 2 219.332 2.149 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000390210520 345291757 /nfs/dbraw/zinc/29/17/57/345291757.db2.gz VAASVWKEKPBWRM-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000390210520 345291758 /nfs/dbraw/zinc/29/17/58/345291758.db2.gz VAASVWKEKPBWRM-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159251249 345419674 /nfs/dbraw/zinc/41/96/74/345419674.db2.gz RFMNJKHZLCRSRZ-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000159251249 345419676 /nfs/dbraw/zinc/41/96/76/345419676.db2.gz RFMNJKHZLCRSRZ-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159250813 345420001 /nfs/dbraw/zinc/42/00/01/345420001.db2.gz RFMNJKHZLCRSRZ-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000159250813 345420005 /nfs/dbraw/zinc/42/00/05/345420005.db2.gz RFMNJKHZLCRSRZ-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000562653740 345427788 /nfs/dbraw/zinc/42/77/88/345427788.db2.gz NRVNSYMEXIHUNK-OAHLLOKOSA-N 2 2 246.398 2.469 20 0 BEADLP Cc1cccc(CC[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000562653740 345427790 /nfs/dbraw/zinc/42/77/90/345427790.db2.gz NRVNSYMEXIHUNK-OAHLLOKOSA-N 2 2 246.398 2.469 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000090048108 345563529 /nfs/dbraw/zinc/56/35/29/345563529.db2.gz QCWWHPIPHHMPFY-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP Cn1cccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073832 345615442 /nfs/dbraw/zinc/61/54/42/345615442.db2.gz FSPTUFQPQBNHBD-GFCCVEGCSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1cccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073832 345615443 /nfs/dbraw/zinc/61/54/43/345615443.db2.gz FSPTUFQPQBNHBD-GFCCVEGCSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072210 345615532 /nfs/dbraw/zinc/61/55/32/345615532.db2.gz OHBGHVFUIOMUMM-CYBMUJFWSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072210 345615534 /nfs/dbraw/zinc/61/55/34/345615534.db2.gz OHBGHVFUIOMUMM-CYBMUJFWSA-N 2 2 244.342 2.128 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000235530568 178889903 /nfs/dbraw/zinc/88/99/03/178889903.db2.gz ORUPZUQZRLUKHO-JSGCOSHPSA-N 2 2 218.344 2.398 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000091308022 345591146 /nfs/dbraw/zinc/59/11/46/345591146.db2.gz BHJQVRWQPUIBOR-LSDHHAIUSA-N 2 2 247.386 2.463 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccnc1 ZINC000091308022 345591147 /nfs/dbraw/zinc/59/11/47/345591147.db2.gz BHJQVRWQPUIBOR-LSDHHAIUSA-N 2 2 247.386 2.463 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000091308021 345591224 /nfs/dbraw/zinc/59/12/24/345591224.db2.gz BHJQVRWQPUIBOR-GJZGRUSLSA-N 2 2 247.386 2.463 20 0 BEADLP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccnc1 ZINC000091308021 345591226 /nfs/dbraw/zinc/59/12/26/345591226.db2.gz BHJQVRWQPUIBOR-GJZGRUSLSA-N 2 2 247.386 2.463 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OC ZINC000220305301 345745962 /nfs/dbraw/zinc/74/59/62/345745962.db2.gz DAMHFSFJVCCXIN-QWRGUYRKSA-N 2 2 222.332 2.083 20 0 BEADLP C[NH+](C)CC[NH+]1CCC2(CCCC2)CC1 ZINC000089903434 345751626 /nfs/dbraw/zinc/75/16/26/345751626.db2.gz PDDXLLAEVBRAQD-UHFFFAOYSA-N 2 2 210.365 2.204 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000141929053 345853498 /nfs/dbraw/zinc/85/34/98/345853498.db2.gz OLCSOJGEMXRKAV-UHFFFAOYSA-N 2 2 245.370 2.455 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166878406 345925291 /nfs/dbraw/zinc/92/52/91/345925291.db2.gz LEHTWAWSCUCLHB-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166878406 345925293 /nfs/dbraw/zinc/92/52/93/345925293.db2.gz LEHTWAWSCUCLHB-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP c1[nH]c(C[NH+]2CCc3ccccc3CC2)c[nH+]1 ZINC000093385332 345970573 /nfs/dbraw/zinc/97/05/73/345970573.db2.gz LQWZVHKYUFJJAY-UHFFFAOYSA-N 2 2 227.311 2.011 20 0 BEADLP FC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000684358956 488300867 /nfs/dbraw/zinc/30/08/67/488300867.db2.gz XDZSWWWRQVXTHL-LLVKDONJSA-N 2 2 223.295 2.022 20 0 BEADLP FC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000684358956 488300871 /nfs/dbraw/zinc/30/08/71/488300871.db2.gz XDZSWWWRQVXTHL-LLVKDONJSA-N 2 2 223.295 2.022 20 0 BEADLP Cc1ccccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313287464 537951450 /nfs/dbraw/zinc/95/14/50/537951450.db2.gz XKPDUCBVZHLVLG-UHFFFAOYSA-N 2 2 229.327 2.061 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000397533634 346200695 /nfs/dbraw/zinc/20/06/95/346200695.db2.gz MLPUHIVJDDLKLM-OCCSQVGLSA-N 2 2 234.343 2.090 20 0 BEADLP Clc1ccccc1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000215905864 349943912 /nfs/dbraw/zinc/94/39/12/349943912.db2.gz HHSIGTPDFXVNCF-GFCCVEGCSA-N 2 2 238.762 2.224 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020126818 259388755 /nfs/dbraw/zinc/38/87/55/259388755.db2.gz CPSJEIXHAGPTQR-CYBMUJFWSA-N 2 2 248.370 2.442 20 0 BEADLP CSc1ccc(C[NH2+]C2CC([NH+](C)C)C2)o1 ZINC000641765210 362696541 /nfs/dbraw/zinc/69/65/41/362696541.db2.gz WJHQDXRRCGOBHW-UHFFFAOYSA-N 2 2 240.372 2.184 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358078627 179059973 /nfs/dbraw/zinc/05/99/73/179059973.db2.gz DILMVVGMZRCPTL-UKRRQHHQSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358078627 179059976 /nfs/dbraw/zinc/05/99/76/179059976.db2.gz DILMVVGMZRCPTL-UKRRQHHQSA-N 2 2 232.371 2.077 20 0 BEADLP CC(C)[N@H+](C)CC1CC[NH+](CC(F)F)CC1 ZINC000603410457 349959865 /nfs/dbraw/zinc/95/98/65/349959865.db2.gz CRQQDQXYDDQNJT-UHFFFAOYSA-N 2 2 234.334 2.304 20 0 BEADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(F)F)CC1 ZINC000603410457 349959867 /nfs/dbraw/zinc/95/98/67/349959867.db2.gz CRQQDQXYDDQNJT-UHFFFAOYSA-N 2 2 234.334 2.304 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000641797917 362738045 /nfs/dbraw/zinc/73/80/45/362738045.db2.gz AHEUHJOKWARYNQ-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP CCC(F)(F)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000641797917 362738051 /nfs/dbraw/zinc/73/80/51/362738051.db2.gz AHEUHJOKWARYNQ-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP Cc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)n1 ZINC000051573722 179089591 /nfs/dbraw/zinc/08/95/91/179089591.db2.gz BHXPIVDCVDBGAL-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000641798333 362744895 /nfs/dbraw/zinc/74/48/95/362744895.db2.gz FTONQIUYQNHAQN-VWYCJHECSA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000641798333 362744902 /nfs/dbraw/zinc/74/49/02/362744902.db2.gz FTONQIUYQNHAQN-VWYCJHECSA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000641797629 362745077 /nfs/dbraw/zinc/74/50/77/362745077.db2.gz DMTBROXJQMTGPK-SNVBAGLBSA-N 2 2 220.307 2.235 20 0 BEADLP CCC(F)(F)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000641797629 362745081 /nfs/dbraw/zinc/74/50/81/362745081.db2.gz DMTBROXJQMTGPK-SNVBAGLBSA-N 2 2 220.307 2.235 20 0 BEADLP [NH3+]C1CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000641797077 362741703 /nfs/dbraw/zinc/74/17/03/362741703.db2.gz SBAUFHNDECWYNN-UHFFFAOYSA-N 2 2 247.367 2.219 20 0 BEADLP COC(C)(C)C[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563439667 323125775 /nfs/dbraw/zinc/12/57/75/323125775.db2.gz HHHDTKCZDPHKAL-SNVBAGLBSA-N 2 2 239.363 2.022 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000580062461 346502358 /nfs/dbraw/zinc/50/23/58/346502358.db2.gz FCJBLANSYTWOKO-RISCZKNCSA-N 2 2 248.370 2.392 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806405 362764851 /nfs/dbraw/zinc/76/48/51/362764851.db2.gz RQZBKVHLRBCZFM-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806405 362764856 /nfs/dbraw/zinc/76/48/56/362764856.db2.gz RQZBKVHLRBCZFM-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810747 362767595 /nfs/dbraw/zinc/76/75/95/362767595.db2.gz ZCDMDJFUHVZIGL-YDHLFZDLSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810747 362767599 /nfs/dbraw/zinc/76/75/99/362767599.db2.gz ZCDMDJFUHVZIGL-YDHLFZDLSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccc(NCC[N@@H+]2CC=CCC2)[nH+]1 ZINC000280102188 179145667 /nfs/dbraw/zinc/14/56/67/179145667.db2.gz BCQTVYVAKBWSPD-UHFFFAOYSA-N 2 2 217.316 2.064 20 0 BEADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CS1 ZINC000380094375 365875292 /nfs/dbraw/zinc/87/52/92/365875292.db2.gz JVBAYIHLBNQRIS-QJPTWQEYSA-N 2 2 230.421 2.056 20 0 BEADLP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000251183993 179178277 /nfs/dbraw/zinc/17/82/77/179178277.db2.gz JCYOGLULNHMTGV-TZMCWYRMSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000251183993 179178281 /nfs/dbraw/zinc/17/82/81/179178281.db2.gz JCYOGLULNHMTGV-TZMCWYRMSA-N 2 2 218.344 2.479 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000309962722 347208238 /nfs/dbraw/zinc/20/82/38/347208238.db2.gz MCFZJIHKTPIDAU-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000309962722 347208244 /nfs/dbraw/zinc/20/82/44/347208244.db2.gz MCFZJIHKTPIDAU-GFCCVEGCSA-N 2 2 242.432 2.346 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000309983545 347211427 /nfs/dbraw/zinc/21/14/27/347211427.db2.gz PTNBTTVVLJXXJZ-AWEZNQCLSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000309983545 347211430 /nfs/dbraw/zinc/21/14/30/347211430.db2.gz PTNBTTVVLJXXJZ-AWEZNQCLSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000248903459 323137410 /nfs/dbraw/zinc/13/74/10/323137410.db2.gz ZPCIUTGSVGNKDN-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000248903459 323137411 /nfs/dbraw/zinc/13/74/11/323137411.db2.gz ZPCIUTGSVGNKDN-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000380259006 347232764 /nfs/dbraw/zinc/23/27/64/347232764.db2.gz QZMOJELHYTUKJA-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC000380259006 347232767 /nfs/dbraw/zinc/23/27/67/347232767.db2.gz QZMOJELHYTUKJA-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000250370613 362802036 /nfs/dbraw/zinc/80/20/36/362802036.db2.gz VPCWEYBKJOFAEH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000250370613 362802040 /nfs/dbraw/zinc/80/20/40/362802040.db2.gz VPCWEYBKJOFAEH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc(OC)cc1 ZINC000021959075 347352376 /nfs/dbraw/zinc/35/23/76/347352376.db2.gz ORCRDGCHWMVHHM-AWEZNQCLSA-N 2 2 236.359 2.298 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020126984 347408758 /nfs/dbraw/zinc/40/87/58/347408758.db2.gz WGVFWMIXWYYJSZ-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201694 347422929 /nfs/dbraw/zinc/42/29/29/347422929.db2.gz APNDAMVXOVUPIG-NEPJUHHUSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000390681394 347425995 /nfs/dbraw/zinc/42/59/95/347425995.db2.gz ZXVPMFCNHIRAKH-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000390681394 347425997 /nfs/dbraw/zinc/42/59/97/347425997.db2.gz ZXVPMFCNHIRAKH-UWVGGRQHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313259638 347439233 /nfs/dbraw/zinc/43/92/33/347439233.db2.gz FGGZZRFIUMOCFB-DGCLKSJQSA-N 2 2 221.348 2.131 20 0 BEADLP Cc1ccc(CCC[NH2+]CCCCCO)c[nH+]1 ZINC000355144859 187375627 /nfs/dbraw/zinc/37/56/27/187375627.db2.gz AFKDFJYAICRVLK-UHFFFAOYSA-N 2 2 236.359 2.075 20 0 BEADLP CC(C)c1nc(N2CCC[C@@H]2C[NH+](C)C)cc[nH+]1 ZINC000357121539 187377467 /nfs/dbraw/zinc/37/74/67/187377467.db2.gz ISUFELQASNBRFY-GFCCVEGCSA-N 2 2 248.374 2.130 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)c[nH+]1 ZINC000591866978 347707388 /nfs/dbraw/zinc/70/73/88/347707388.db2.gz LHOYLXQLPFAVGE-ZIAGYGMSSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)c[nH+]1 ZINC000591866978 347707390 /nfs/dbraw/zinc/70/73/90/347707390.db2.gz LHOYLXQLPFAVGE-ZIAGYGMSSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](Cc3cscn3)C2)c[nH+]1 ZINC000591866866 347707432 /nfs/dbraw/zinc/70/74/32/347707432.db2.gz IALAMJCKXVOCRQ-LBPRGKRZSA-N 2 2 248.355 2.177 20 0 BEADLP c1cn([C@H]2CCC[N@H+](Cc3cscn3)C2)c[nH+]1 ZINC000591866866 347707434 /nfs/dbraw/zinc/70/74/34/347707434.db2.gz IALAMJCKXVOCRQ-LBPRGKRZSA-N 2 2 248.355 2.177 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324643 179320652 /nfs/dbraw/zinc/32/06/52/179320652.db2.gz NXILAOZYLQFMOZ-CHWSQXEVSA-N 2 2 218.344 2.398 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000361005705 187382609 /nfs/dbraw/zinc/38/26/09/187382609.db2.gz WQAOABSCDNDAID-BBRMVZONSA-N 2 2 244.382 2.412 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000361005705 187382611 /nfs/dbraw/zinc/38/26/11/187382611.db2.gz WQAOABSCDNDAID-BBRMVZONSA-N 2 2 244.382 2.412 20 0 BEADLP CCCC[C@H](COC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000577413304 365950287 /nfs/dbraw/zinc/95/02/87/365950287.db2.gz YHMSWDVHCBXRRN-GFCCVEGCSA-N 2 2 239.363 2.023 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000054475661 348029442 /nfs/dbraw/zinc/02/94/42/348029442.db2.gz OPGNCMISEPXAGD-YPMHNXCESA-N 2 2 206.333 2.322 20 0 BEADLP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000120356270 187385947 /nfs/dbraw/zinc/38/59/47/187385947.db2.gz FKUBPLAUHLEWKG-UHFFFAOYSA-N 2 2 248.370 2.221 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000449555499 201965785 /nfs/dbraw/zinc/96/57/85/201965785.db2.gz HHHOAONDMDBUSF-TUAOUCFPSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000449555498 201964246 /nfs/dbraw/zinc/96/42/46/201964246.db2.gz HHHOAONDMDBUSF-SRVKXCTJSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)SCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594950628 348147317 /nfs/dbraw/zinc/14/73/17/348147317.db2.gz BCLYKLOQTKYYQS-UHFFFAOYSA-N 2 2 239.388 2.061 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CSCCF ZINC000595005649 348157391 /nfs/dbraw/zinc/15/73/91/348157391.db2.gz CHHMUYNBEZAFQN-LLVKDONJSA-N 2 2 236.400 2.009 20 0 BEADLP Cc1cccnc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000161772499 179372242 /nfs/dbraw/zinc/37/22/42/179372242.db2.gz DXPWTHXJTWZTIG-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000161772499 179372243 /nfs/dbraw/zinc/37/22/43/179372243.db2.gz DXPWTHXJTWZTIG-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000397530382 362891158 /nfs/dbraw/zinc/89/11/58/362891158.db2.gz KYOIJUCJAWSLHL-AWEZNQCLSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295107086 179478646 /nfs/dbraw/zinc/47/86/46/179478646.db2.gz ULWKNPFUGUTRMV-HIFRSBDPSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419382983 192134038 /nfs/dbraw/zinc/13/40/38/192134038.db2.gz ZPWFOLCXXOJTFB-SDDRHHMPSA-N 2 2 221.348 2.168 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419382983 192134040 /nfs/dbraw/zinc/13/40/40/192134040.db2.gz ZPWFOLCXXOJTFB-SDDRHHMPSA-N 2 2 221.348 2.168 20 0 BEADLP COc1cccc2c(NCC[C@@H](C)[NH3+])cc[nH+]c12 ZINC000420159327 192165920 /nfs/dbraw/zinc/16/59/20/192165920.db2.gz RQOSFFBGMLQIJI-SNVBAGLBSA-N 2 2 245.326 2.393 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000623825194 348708437 /nfs/dbraw/zinc/70/84/37/348708437.db2.gz YVJUWLLQCXGFOP-JHJVBQTASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000623825194 348708438 /nfs/dbraw/zinc/70/84/38/348708438.db2.gz YVJUWLLQCXGFOP-JHJVBQTASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC([NH2+]CC[NH+]2CCCC2)C[C@@H](C)C1 ZINC000082829491 348820710 /nfs/dbraw/zinc/82/07/10/348820710.db2.gz LSDWTKAXGKDDTA-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC([NH2+]CCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000082849861 348842845 /nfs/dbraw/zinc/84/28/45/348842845.db2.gz OHLRYOKTRJBBFG-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP C(C1CCC1)[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250824611 349180525 /nfs/dbraw/zinc/18/05/25/349180525.db2.gz HCRCMEYOTZQDIE-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CCC1)[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250824611 349180528 /nfs/dbraw/zinc/18/05/28/349180528.db2.gz HCRCMEYOTZQDIE-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000251546586 349188109 /nfs/dbraw/zinc/18/81/09/349188109.db2.gz BUKFEYJWBWULMS-UTUOFQBUSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250548054 349175310 /nfs/dbraw/zinc/17/53/10/349175310.db2.gz GMVCZWXZTOHFOX-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250548054 349175313 /nfs/dbraw/zinc/17/53/13/349175313.db2.gz GMVCZWXZTOHFOX-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250579754 349175714 /nfs/dbraw/zinc/17/57/14/349175714.db2.gz HSSHJGUUIJJASS-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250579754 349175716 /nfs/dbraw/zinc/17/57/16/349175716.db2.gz HSSHJGUUIJJASS-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CCn1cc[nH+]c1Cn1c[nH+]c2c1CCCC2 ZINC000160728151 349314284 /nfs/dbraw/zinc/31/42/84/349314284.db2.gz KCGHGTPLJMDKKU-UHFFFAOYSA-N 2 2 230.315 2.027 20 0 BEADLP CC(C)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131479281 191016349 /nfs/dbraw/zinc/01/63/49/191016349.db2.gz KVRICZOTMBAIEQ-UHFFFAOYSA-N 2 2 221.348 2.251 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@@H]2CCC[C@H]21 ZINC000382333283 350109978 /nfs/dbraw/zinc/10/99/78/350109978.db2.gz XEUGTHICVOZFJU-GARJFASQSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@@H]2CCC[C@H]21 ZINC000382333283 350109981 /nfs/dbraw/zinc/10/99/81/350109981.db2.gz XEUGTHICVOZFJU-GARJFASQSA-N 2 2 232.318 2.104 20 0 BEADLP CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132032171 191023112 /nfs/dbraw/zinc/02/31/12/191023112.db2.gz PKSSPDURUMOHKV-NWDGAFQWSA-N 2 2 210.365 2.391 20 0 BEADLP CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132032171 191023114 /nfs/dbraw/zinc/02/31/14/191023114.db2.gz PKSSPDURUMOHKV-NWDGAFQWSA-N 2 2 210.365 2.391 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219382536 350125256 /nfs/dbraw/zinc/12/52/56/350125256.db2.gz IXVOHGGXEITNNB-OAHLLOKOSA-N 2 2 232.371 2.406 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219382536 350125259 /nfs/dbraw/zinc/12/52/59/350125259.db2.gz IXVOHGGXEITNNB-OAHLLOKOSA-N 2 2 232.371 2.406 20 0 BEADLP CC(C)C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000084856541 535107497 /nfs/dbraw/zinc/10/74/97/535107497.db2.gz YYBHIDSDJJUZAP-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000084856541 535107503 /nfs/dbraw/zinc/10/75/03/535107503.db2.gz YYBHIDSDJJUZAP-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000132391344 191032377 /nfs/dbraw/zinc/03/23/77/191032377.db2.gz PWAFEZFZEWHTLU-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000384126928 350216768 /nfs/dbraw/zinc/21/67/68/350216768.db2.gz PGMZIKAYGAYIIT-FRRDWIJNSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000384126928 350216772 /nfs/dbraw/zinc/21/67/72/350216772.db2.gz PGMZIKAYGAYIIT-FRRDWIJNSA-N 2 2 212.381 2.480 20 0 BEADLP Cc1nc(NCC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000277928497 180197915 /nfs/dbraw/zinc/19/79/15/180197915.db2.gz QMYDCXLHZFDJPP-UHFFFAOYSA-N 2 2 246.358 2.071 20 0 BEADLP Cc1nc(NC2CC[NH+](CC(C)C)CC2)cc[nH+]1 ZINC000266083098 180198419 /nfs/dbraw/zinc/19/84/19/180198419.db2.gz BRMRFZKFLMJHSU-UHFFFAOYSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NCC[NH+](C(C)C)C(C)C)cc[nH+]1 ZINC000054935646 180198637 /nfs/dbraw/zinc/19/86/37/180198637.db2.gz CGYHLMVHWIJJRS-UHFFFAOYSA-N 2 2 236.363 2.316 20 0 BEADLP Cc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)cc[nH+]1 ZINC000266413938 180201455 /nfs/dbraw/zinc/20/14/55/180201455.db2.gz QXBSJBRLBMJSNN-CYBMUJFWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@H]2CCC[N@H+](C(C)C)C2)cc[nH+]1 ZINC000266413938 180201457 /nfs/dbraw/zinc/20/14/57/180201457.db2.gz QXBSJBRLBMJSNN-CYBMUJFWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc[nH+]1 ZINC000361016465 180202114 /nfs/dbraw/zinc/20/21/14/180202114.db2.gz IEDZAXBOVCYUHJ-GFCCVEGCSA-N 2 2 246.358 2.214 20 0 BEADLP Cc1nc(N[C@@H]2CC[N@H+](C3CCCC3)C2)cc[nH+]1 ZINC000361016465 180202115 /nfs/dbraw/zinc/20/21/15/180202115.db2.gz IEDZAXBOVCYUHJ-GFCCVEGCSA-N 2 2 246.358 2.214 20 0 BEADLP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(F)F ZINC000120502284 180231841 /nfs/dbraw/zinc/23/18/41/180231841.db2.gz OYOLXMJYURVYRX-UHFFFAOYSA-N 2 2 231.290 2.169 20 0 BEADLP Cc1[nH+]ccn1CCCC[N@H+](C)CC(F)F ZINC000120502284 180231842 /nfs/dbraw/zinc/23/18/42/180231842.db2.gz OYOLXMJYURVYRX-UHFFFAOYSA-N 2 2 231.290 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000336705930 180252372 /nfs/dbraw/zinc/25/23/72/180252372.db2.gz ODITZBFPEYCBCI-CQSZACIVSA-N 2 2 233.359 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000336705930 180252374 /nfs/dbraw/zinc/25/23/74/180252374.db2.gz ODITZBFPEYCBCI-CQSZACIVSA-N 2 2 233.359 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(C)C)C1 ZINC000336685501 180254645 /nfs/dbraw/zinc/25/46/45/180254645.db2.gz VIZNFIOUCOVFFW-ZDUSSCGKSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(C)C)C1 ZINC000336685501 180254646 /nfs/dbraw/zinc/25/46/46/180254646.db2.gz VIZNFIOUCOVFFW-ZDUSSCGKSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000335485506 180256045 /nfs/dbraw/zinc/25/60/45/180256045.db2.gz FPFUPLRVDIMAPC-RYUDHWBXSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000335485506 180256047 /nfs/dbraw/zinc/25/60/47/180256047.db2.gz FPFUPLRVDIMAPC-RYUDHWBXSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353168454 180241814 /nfs/dbraw/zinc/24/18/14/180241814.db2.gz CCJHNCNAIJNSJC-NSHDSACASA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C(F)F ZINC000353168454 180241816 /nfs/dbraw/zinc/24/18/16/180241816.db2.gz CCJHNCNAIJNSJC-NSHDSACASA-N 2 2 243.301 2.311 20 0 BEADLP Cc1ccncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000162689261 350323540 /nfs/dbraw/zinc/32/35/40/350323540.db2.gz GGOYWEKYOHZCKR-TZMCWYRMSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ncsc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000228290391 180315683 /nfs/dbraw/zinc/31/56/83/180315683.db2.gz YFBTXLNCFBMDLU-GXSJLCMTSA-N 2 2 239.388 2.153 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000228290391 180315685 /nfs/dbraw/zinc/31/56/85/180315685.db2.gz YFBTXLNCFBMDLU-GXSJLCMTSA-N 2 2 239.388 2.153 20 0 BEADLP CC(C)c1cnc(C[N@H+](C)CCC[NH3+])s1 ZINC000309412231 350372231 /nfs/dbraw/zinc/37/22/31/350372231.db2.gz ITGJBTHCZHWNJS-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP CC(C)c1cnc(C[N@@H+](C)CCC[NH3+])s1 ZINC000309412231 350372233 /nfs/dbraw/zinc/37/22/33/350372233.db2.gz ITGJBTHCZHWNJS-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP Cc1ncsc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000071213744 180320403 /nfs/dbraw/zinc/32/04/03/180320403.db2.gz PHPJQGSCRGLREG-LBPRGKRZSA-N 2 2 247.367 2.241 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CCSC1 ZINC000162803769 350433410 /nfs/dbraw/zinc/43/34/10/350433410.db2.gz PYFQQIYNMOLMME-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH+](CC1CC1)CC1CC1 ZINC000070064390 350500907 /nfs/dbraw/zinc/50/09/07/350500907.db2.gz XGORUMPRJYYAQW-CQSZACIVSA-N 2 2 224.392 2.482 20 0 BEADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000070558446 350534715 /nfs/dbraw/zinc/53/47/15/350534715.db2.gz SSSRXQCLYLZVRW-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000577505977 365973164 /nfs/dbraw/zinc/97/31/64/365973164.db2.gz RYYXVXUWLVIYHE-CHWSQXEVSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C ZINC000577505977 365973169 /nfs/dbraw/zinc/97/31/69/365973169.db2.gz RYYXVXUWLVIYHE-CHWSQXEVSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)c1ncc(C[N@H+](C)CCC[NH3+])s1 ZINC000309519381 350695792 /nfs/dbraw/zinc/69/57/92/350695792.db2.gz ZOYSCWGSBLQLMT-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP CC(C)c1ncc(C[N@@H+](C)CCC[NH3+])s1 ZINC000309519381 350695796 /nfs/dbraw/zinc/69/57/96/350695796.db2.gz ZOYSCWGSBLQLMT-UHFFFAOYSA-N 2 2 227.377 2.047 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC000238855702 350775650 /nfs/dbraw/zinc/77/56/50/350775650.db2.gz SSHNDDOPBFBFMU-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC000238855702 350775651 /nfs/dbraw/zinc/77/56/51/350775651.db2.gz SSHNDDOPBFBFMU-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP COc1cccc([C@@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616616522 350855821 /nfs/dbraw/zinc/85/58/21/350855821.db2.gz RJRPNGWZURLHLM-AWEZNQCLSA-N 2 2 234.343 2.181 20 0 BEADLP COc1cccc([C@@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616616522 350855825 /nfs/dbraw/zinc/85/58/25/350855825.db2.gz RJRPNGWZURLHLM-AWEZNQCLSA-N 2 2 234.343 2.181 20 0 BEADLP C[NH2+]CCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000382647663 350938573 /nfs/dbraw/zinc/93/85/73/350938573.db2.gz NDKCHQUOLYNUJQ-UHFFFAOYSA-N 2 2 247.367 2.325 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000129176157 351002686 /nfs/dbraw/zinc/00/26/86/351002686.db2.gz MZSQXECDNBZURN-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000129176157 351002690 /nfs/dbraw/zinc/00/26/90/351002690.db2.gz MZSQXECDNBZURN-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ncc(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000398106378 351006353 /nfs/dbraw/zinc/00/63/53/351006353.db2.gz PGJHHZZUXZDBHU-UHFFFAOYSA-N 2 2 231.299 2.019 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]C[C@H](C)[NH+](C)C ZINC000300859920 191129092 /nfs/dbraw/zinc/12/90/92/191129092.db2.gz GISGZABLQVDZCJ-RYUDHWBXSA-N 2 2 200.370 2.208 20 0 BEADLP Cc1ncc(C[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000628323418 351224984 /nfs/dbraw/zinc/22/49/84/351224984.db2.gz SLBUBVYKCZJNMA-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP Cc1ncc(C[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000628323418 351224988 /nfs/dbraw/zinc/22/49/88/351224988.db2.gz SLBUBVYKCZJNMA-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000266348029 351290140 /nfs/dbraw/zinc/29/01/40/351290140.db2.gz IZOUWDXOJZFSMY-LBPRGKRZSA-N 2 2 234.347 2.071 20 0 BEADLP CC[N@H+]1CCCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000266348029 351290142 /nfs/dbraw/zinc/29/01/42/351290142.db2.gz IZOUWDXOJZFSMY-LBPRGKRZSA-N 2 2 234.347 2.071 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000628350902 351312052 /nfs/dbraw/zinc/31/20/52/351312052.db2.gz RALJURCAOHBUMR-ZYHUDNBSSA-N 2 2 246.345 2.494 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000628350902 351312054 /nfs/dbraw/zinc/31/20/54/351312054.db2.gz RALJURCAOHBUMR-ZYHUDNBSSA-N 2 2 246.345 2.494 20 0 BEADLP CCc1cc(N[C@@H](C)C[NH+](CC)CC)nc[nH+]1 ZINC000041676923 351558637 /nfs/dbraw/zinc/55/86/37/351558637.db2.gz DJEHMNGQBNPWDA-NSHDSACASA-N 2 2 236.363 2.181 20 0 BEADLP CCc1ncc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000577741835 366049613 /nfs/dbraw/zinc/04/96/13/366049613.db2.gz GUBVWOFUGBSGLI-NXEZZACHSA-N 2 2 239.388 2.017 20 0 BEADLP CCc1ncc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)s1 ZINC000577741835 366049622 /nfs/dbraw/zinc/04/96/22/366049622.db2.gz GUBVWOFUGBSGLI-NXEZZACHSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](F)C2)n1C ZINC000577769353 366059007 /nfs/dbraw/zinc/05/90/07/366059007.db2.gz IQYMICRCESZWQG-MNOVXSKESA-N 2 2 225.311 2.099 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CCC[C@H]3CCO3)C2)c[nH+]1 ZINC000638017462 351896521 /nfs/dbraw/zinc/89/65/21/351896521.db2.gz HJCRAVWHVJMTDP-KBPBESRZSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CCC[C@H]3CCO3)C2)c[nH+]1 ZINC000638017462 351896524 /nfs/dbraw/zinc/89/65/24/351896524.db2.gz HJCRAVWHVJMTDP-KBPBESRZSA-N 2 2 249.358 2.089 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000638281027 352116996 /nfs/dbraw/zinc/11/69/96/352116996.db2.gz NATCFJIRZTXEDC-ZDUSSCGKSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000638281027 352116997 /nfs/dbraw/zinc/11/69/97/352116997.db2.gz NATCFJIRZTXEDC-ZDUSSCGKSA-N 2 2 242.432 2.204 20 0 BEADLP CCC[C@H](C[NH2+]C[C@H](CC)[NH+]1CCCC1)OC ZINC000638353913 352167690 /nfs/dbraw/zinc/16/76/90/352167690.db2.gz DLLHFQXADYWQDD-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@@H+]1CCCC[C@H]1C)OC ZINC000638363181 352172871 /nfs/dbraw/zinc/17/28/71/352172871.db2.gz KRDBYGGTBJSZKT-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@H+]1CCCC[C@H]1C)OC ZINC000638363181 352172873 /nfs/dbraw/zinc/17/28/73/352172873.db2.gz KRDBYGGTBJSZKT-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)OC ZINC000638363930 352177160 /nfs/dbraw/zinc/17/71/60/352177160.db2.gz SXNYZOAUBLMHBF-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@H+]1CCC[C@H](C)C1)OC ZINC000638363930 352177162 /nfs/dbraw/zinc/17/71/62/352177162.db2.gz SXNYZOAUBLMHBF-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1CC1(F)F ZINC000638364208 352177222 /nfs/dbraw/zinc/17/72/22/352177222.db2.gz XLMHURLVQKBELY-NEPJUHHUSA-N 2 2 246.345 2.352 20 0 BEADLP COc1cccc(C)c1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000638409744 352216716 /nfs/dbraw/zinc/21/67/16/352216716.db2.gz RECNICSHKRNUAA-ZDUSSCGKSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cccc(C)c1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000638409744 352216720 /nfs/dbraw/zinc/21/67/20/352216720.db2.gz RECNICSHKRNUAA-ZDUSSCGKSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc2ccccc2o1 ZINC000638462906 352273855 /nfs/dbraw/zinc/27/38/55/352273855.db2.gz AOFVWGMLLHBWRJ-LLVKDONJSA-N 2 2 247.342 2.258 20 0 BEADLP CC[N@H+](CC[NH2+]CC1CCSCC1)C1CC1 ZINC000638479564 352288442 /nfs/dbraw/zinc/28/84/42/352288442.db2.gz RAQWUHGJBHUQKB-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@@H+](CC[NH2+]CC1CCSCC1)C1CC1 ZINC000638479564 352288444 /nfs/dbraw/zinc/28/84/44/352288444.db2.gz RAQWUHGJBHUQKB-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638478391 352288825 /nfs/dbraw/zinc/28/88/25/352288825.db2.gz YGXBOYISNPZETA-UHFFFAOYSA-N 2 2 230.421 2.059 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CC1CCSCC1 ZINC000638478391 352288828 /nfs/dbraw/zinc/28/88/28/352288828.db2.gz YGXBOYISNPZETA-UHFFFAOYSA-N 2 2 230.421 2.059 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)s1 ZINC000414970040 352395723 /nfs/dbraw/zinc/39/57/23/352395723.db2.gz ZZRSYLRUWVLWMM-SECBINFHSA-N 2 2 212.362 2.144 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC1(F)F ZINC000638582202 352415209 /nfs/dbraw/zinc/41/52/09/352415209.db2.gz JLGKNKPGGMRMAD-MVWJERBFSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC1(F)F ZINC000638582202 352415213 /nfs/dbraw/zinc/41/52/13/352415213.db2.gz JLGKNKPGGMRMAD-MVWJERBFSA-N 2 2 244.329 2.104 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000041027502 352600311 /nfs/dbraw/zinc/60/03/11/352600311.db2.gz VJCMHOAGKDZZRW-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000041027502 352600313 /nfs/dbraw/zinc/60/03/13/352600313.db2.gz VJCMHOAGKDZZRW-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000638759248 352691059 /nfs/dbraw/zinc/69/10/59/352691059.db2.gz JDMGUNXMFKHWDT-RKQHYHRCSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C[N@H+]1C1CC1 ZINC000638759248 352691060 /nfs/dbraw/zinc/69/10/60/352691060.db2.gz JDMGUNXMFKHWDT-RKQHYHRCSA-N 2 2 234.387 2.247 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336665274 187817544 /nfs/dbraw/zinc/81/75/44/187817544.db2.gz LLBKLRIBLXVBHM-RYUDHWBXSA-N 2 2 221.348 2.222 20 0 BEADLP CCOC1CC(C[NH2+]CCc2cc[nH+]cc2C)C1 ZINC000638792543 352754467 /nfs/dbraw/zinc/75/44/67/352754467.db2.gz HIQZFHXNGVKVAC-UHFFFAOYSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000334191619 352782810 /nfs/dbraw/zinc/78/28/10/352782810.db2.gz HSEBXALVNUWLPU-JQWIXIFHSA-N 2 2 247.367 2.175 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336757267 353158323 /nfs/dbraw/zinc/15/83/23/353158323.db2.gz JCSMMRPWLARABW-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336757267 353158327 /nfs/dbraw/zinc/15/83/27/353158327.db2.gz JCSMMRPWLARABW-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1csc(C[NH2+]CC2([NH3+])CCCCC2)n1 ZINC000049539152 353168426 /nfs/dbraw/zinc/16/84/26/353168426.db2.gz UEFCTSMNMSUDFJ-UHFFFAOYSA-N 2 2 239.388 2.203 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000149330295 188156671 /nfs/dbraw/zinc/15/66/71/188156671.db2.gz ZZAVRXKDNJMXEE-HNNXBMFYSA-N 2 2 241.338 2.469 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000309583258 188168723 /nfs/dbraw/zinc/16/87/23/188168723.db2.gz UIPLWPDJZWWZMI-ZDUSSCGKSA-N 2 2 222.376 2.395 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+](C)C ZINC000310552185 188172152 /nfs/dbraw/zinc/17/21/52/188172152.db2.gz UWEGRDTXLQQMRJ-KGLIPLIRSA-N 3 2 243.439 2.070 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)C[C@H](C)O)c[nH+]1 ZINC000354639753 188178236 /nfs/dbraw/zinc/17/82/36/188178236.db2.gz WNURHODOBUSSPD-STQMWFEESA-N 2 2 236.359 2.072 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226010839 188181905 /nfs/dbraw/zinc/18/19/05/188181905.db2.gz SKVYXMPJYKIYHG-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226010839 188181906 /nfs/dbraw/zinc/18/19/06/188181906.db2.gz SKVYXMPJYKIYHG-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP C(=C/c1ccccc1)\C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291502623 188211812 /nfs/dbraw/zinc/21/18/12/188211812.db2.gz HNGXMOHAJRMCDC-QPJJXVBHSA-N 2 2 239.322 2.412 20 0 BEADLP C(=C/c1ccccc1)\C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291502623 188211813 /nfs/dbraw/zinc/21/18/13/188211813.db2.gz HNGXMOHAJRMCDC-QPJJXVBHSA-N 2 2 239.322 2.412 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251707584 353287181 /nfs/dbraw/zinc/28/71/81/353287181.db2.gz JGDMYTDFLRUZFD-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@H]1[NH3+] ZINC000251707584 353287184 /nfs/dbraw/zinc/28/71/84/353287184.db2.gz JGDMYTDFLRUZFD-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252172841 353296818 /nfs/dbraw/zinc/29/68/18/353296818.db2.gz OICBJEAPPOWDLN-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252172841 353296822 /nfs/dbraw/zinc/29/68/22/353296822.db2.gz OICBJEAPPOWDLN-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336770486 353303096 /nfs/dbraw/zinc/30/30/96/353303096.db2.gz SYJGLAPWVURCDG-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336770486 353303099 /nfs/dbraw/zinc/30/30/99/353303099.db2.gz SYJGLAPWVURCDG-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000515830316 324115637 /nfs/dbraw/zinc/11/56/37/324115637.db2.gz XJOWEOKVGSXGFO-TUAOUCFPSA-N 2 2 236.359 2.390 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000387637183 491052735 /nfs/dbraw/zinc/05/27/35/491052735.db2.gz HGXVYNKPWNBILT-AAEUAGOBSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000459370119 324145935 /nfs/dbraw/zinc/14/59/35/324145935.db2.gz WYCLBQYIDVDAHE-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000459370119 324145941 /nfs/dbraw/zinc/14/59/41/324145941.db2.gz WYCLBQYIDVDAHE-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528396507 324220256 /nfs/dbraw/zinc/22/02/56/324220256.db2.gz IEPCQZHTWCRWDB-JXDHDYMSSA-N 2 2 230.783 2.403 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528396507 324220263 /nfs/dbraw/zinc/22/02/63/324220263.db2.gz IEPCQZHTWCRWDB-JXDHDYMSSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528396507 324220265 /nfs/dbraw/zinc/22/02/65/324220265.db2.gz IEPCQZHTWCRWDB-JXDHDYMSSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528396507 324220269 /nfs/dbraw/zinc/22/02/69/324220269.db2.gz IEPCQZHTWCRWDB-JXDHDYMSSA-N 2 2 230.783 2.403 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cncc(F)c2)n1C ZINC000580346846 353811147 /nfs/dbraw/zinc/81/11/47/353811147.db2.gz BCGAHRVJNCRBRT-VIFPVBQESA-N 2 2 248.305 2.113 20 0 BEADLP Cc1nc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000343531021 353929788 /nfs/dbraw/zinc/92/97/88/353929788.db2.gz PUVTYQZWRYAFAT-WCQYABFASA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000343531021 353929790 /nfs/dbraw/zinc/92/97/90/353929790.db2.gz PUVTYQZWRYAFAT-WCQYABFASA-N 2 2 248.374 2.296 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000343696374 353966304 /nfs/dbraw/zinc/96/63/04/353966304.db2.gz BJHZMDKHFMQKIH-SWLSCSKDSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000343696374 353966308 /nfs/dbraw/zinc/96/63/08/353966308.db2.gz BJHZMDKHFMQKIH-SWLSCSKDSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000343696375 353966596 /nfs/dbraw/zinc/96/65/96/353966596.db2.gz BJHZMDKHFMQKIH-WFASDCNBSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000343696375 353966597 /nfs/dbraw/zinc/96/65/97/353966597.db2.gz BJHZMDKHFMQKIH-WFASDCNBSA-N 2 2 248.370 2.125 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](CCc1c[nH+]cn1C)C2 ZINC000334541408 353975887 /nfs/dbraw/zinc/97/58/87/353975887.db2.gz PFFOFFJMZKETPF-UHFFFAOYSA-N 2 2 241.338 2.287 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](CCc1c[nH+]cn1C)C2 ZINC000334541408 353975891 /nfs/dbraw/zinc/97/58/91/353975891.db2.gz PFFOFFJMZKETPF-UHFFFAOYSA-N 2 2 241.338 2.287 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCOC2)c[nH+]1 ZINC000343644025 353952081 /nfs/dbraw/zinc/95/20/81/353952081.db2.gz WALDIRRHGVQWTD-ZFWWWQNUSA-N 2 2 248.370 2.337 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000639165978 354002779 /nfs/dbraw/zinc/00/27/79/354002779.db2.gz VHDVOHGJKDLVNL-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000639165978 354002781 /nfs/dbraw/zinc/00/27/81/354002781.db2.gz VHDVOHGJKDLVNL-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000334565247 354085747 /nfs/dbraw/zinc/08/57/47/354085747.db2.gz WIIZWCAQZHLBGD-GFCCVEGCSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000334565247 354085749 /nfs/dbraw/zinc/08/57/49/354085749.db2.gz WIIZWCAQZHLBGD-GFCCVEGCSA-N 2 2 235.375 2.331 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](CCc2ccc3ccccc3c2)C1 ZINC000334560702 354112856 /nfs/dbraw/zinc/11/28/56/354112856.db2.gz RUIJAYUXGAFEIV-MRXNPFEDSA-N 2 2 240.350 2.415 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](CCc2ccc3ccccc3c2)C1 ZINC000334560702 354112862 /nfs/dbraw/zinc/11/28/62/354112862.db2.gz RUIJAYUXGAFEIV-MRXNPFEDSA-N 2 2 240.350 2.415 20 0 BEADLP C[C@H](C[NH2+]C1C2CC3CC(C2)CC1C3)[NH+](C)C ZINC000038087742 358483195 /nfs/dbraw/zinc/48/31/95/358483195.db2.gz ORSFHRADZDJZCA-IBEXFIOLSA-N 2 2 236.403 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@H+](C)C1CC1 ZINC000529539320 324330887 /nfs/dbraw/zinc/33/08/87/324330887.db2.gz VEGDQDGJWZHPEH-UWVGGRQHSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)[N@@H+](C)C1CC1 ZINC000529539320 324330891 /nfs/dbraw/zinc/33/08/91/324330891.db2.gz VEGDQDGJWZHPEH-UWVGGRQHSA-N 2 2 246.345 2.493 20 0 BEADLP CCC1(CC)[C@H]([NH2+]C[C@H](C)[NH+](C)C)C[C@@H]1OC ZINC000344164170 354169010 /nfs/dbraw/zinc/16/90/10/354169010.db2.gz IIJUTXOOFQVUTP-XQQFMLRXSA-N 2 2 242.407 2.120 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccns1 ZINC000639174453 354183743 /nfs/dbraw/zinc/18/37/43/354183743.db2.gz BVOHTVWHEYMMAP-UHFFFAOYSA-N 2 2 241.404 2.307 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccns1 ZINC000639174453 354183745 /nfs/dbraw/zinc/18/37/45/354183745.db2.gz BVOHTVWHEYMMAP-UHFFFAOYSA-N 2 2 241.404 2.307 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742654 202018197 /nfs/dbraw/zinc/01/81/97/202018197.db2.gz PXZVHPMBQNLOLC-UEEZHKSASA-N 2 2 234.387 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742654 202018201 /nfs/dbraw/zinc/01/82/01/202018201.db2.gz PXZVHPMBQNLOLC-UEEZHKSASA-N 2 2 234.387 2.105 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334584349 354206143 /nfs/dbraw/zinc/20/61/43/354206143.db2.gz BTNOPDFOIVJMJX-OCCSQVGLSA-N 2 2 234.318 2.236 20 0 BEADLP [NH3+][C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334584349 354206148 /nfs/dbraw/zinc/20/61/48/354206148.db2.gz BTNOPDFOIVJMJX-OCCSQVGLSA-N 2 2 234.318 2.236 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000334586456 354211285 /nfs/dbraw/zinc/21/12/85/354211285.db2.gz UJSJJAUDPSXVFH-ZIAGYGMSSA-N 2 2 247.386 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000334586456 354211287 /nfs/dbraw/zinc/21/12/87/354211287.db2.gz UJSJJAUDPSXVFH-ZIAGYGMSSA-N 2 2 247.386 2.473 20 0 BEADLP Cc1[nH+]ccc(N2CCn3c[nH+]cc3C2)c1Cl ZINC000334595664 354228593 /nfs/dbraw/zinc/22/85/93/354228593.db2.gz OZXDGROUVHWIIK-UHFFFAOYSA-N 2 2 248.717 2.260 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000344340169 354235846 /nfs/dbraw/zinc/23/58/46/354235846.db2.gz LBRBVOGMLPXWLN-LGQYFOJISA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000344340169 354235848 /nfs/dbraw/zinc/23/58/48/354235848.db2.gz LBRBVOGMLPXWLN-LGQYFOJISA-N 2 2 230.355 2.240 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634704 366199867 /nfs/dbraw/zinc/19/98/67/366199867.db2.gz USDJIZPDOVUEFL-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634704 366199878 /nfs/dbraw/zinc/19/98/78/366199878.db2.gz USDJIZPDOVUEFL-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000335097706 354638381 /nfs/dbraw/zinc/63/83/81/354638381.db2.gz TWSCDWCLCWKQBB-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000335097706 354638384 /nfs/dbraw/zinc/63/83/84/354638384.db2.gz TWSCDWCLCWKQBB-VXGBXAGGSA-N 2 2 221.348 2.083 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CCC23CCC3)[nH+]1 ZINC000335087516 354622783 /nfs/dbraw/zinc/62/27/83/354622783.db2.gz YPSLMQZLGCQZOK-UHFFFAOYSA-N 2 2 227.311 2.463 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CCC23CCC3)[nH+]1 ZINC000335087516 354622785 /nfs/dbraw/zinc/62/27/85/354622785.db2.gz YPSLMQZLGCQZOK-UHFFFAOYSA-N 2 2 227.311 2.463 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000335135140 354783733 /nfs/dbraw/zinc/78/37/33/354783733.db2.gz ZLGTUOAZNSDGSV-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000335135140 354783734 /nfs/dbraw/zinc/78/37/34/354783734.db2.gz ZLGTUOAZNSDGSV-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000335144534 354852279 /nfs/dbraw/zinc/85/22/79/354852279.db2.gz KTARDLCHTPQHPE-LBPRGKRZSA-N 2 2 247.367 2.471 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000335144534 354852284 /nfs/dbraw/zinc/85/22/84/354852284.db2.gz KTARDLCHTPQHPE-LBPRGKRZSA-N 2 2 247.367 2.471 20 0 BEADLP COC1CCC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000346329417 354898296 /nfs/dbraw/zinc/89/82/96/354898296.db2.gz MQQIDADIKLUGFL-ABXWRUBCSA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000346329417 354898297 /nfs/dbraw/zinc/89/82/97/354898297.db2.gz MQQIDADIKLUGFL-ABXWRUBCSA-N 2 2 240.391 2.016 20 0 BEADLP c1[nH]cc(C2CC[NH+](CC[C@H]3CCCO3)CC2)[nH+]1 ZINC000346447518 354944218 /nfs/dbraw/zinc/94/42/18/354944218.db2.gz RUIMTGHKUKDVJK-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[NH+]1CCCC1 ZINC000346468351 354954647 /nfs/dbraw/zinc/95/46/47/354954647.db2.gz AISDELLJPJYLDX-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346785479 355115731 /nfs/dbraw/zinc/11/57/31/355115731.db2.gz CWIFZRSTOSJYRT-MCIONIFRSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346785479 355115732 /nfs/dbraw/zinc/11/57/32/355115732.db2.gz CWIFZRSTOSJYRT-MCIONIFRSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346785481 355115987 /nfs/dbraw/zinc/11/59/87/355115987.db2.gz CWIFZRSTOSJYRT-MJBXVCDLSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346785481 355115990 /nfs/dbraw/zinc/11/59/90/355115990.db2.gz CWIFZRSTOSJYRT-MJBXVCDLSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)([NH3+])C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000347000724 355197935 /nfs/dbraw/zinc/19/79/35/355197935.db2.gz ZXCAYWWAZIAPOA-UHFFFAOYSA-N 2 2 238.297 2.388 20 0 BEADLP CC(C)([NH3+])C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000347000724 355197936 /nfs/dbraw/zinc/19/79/36/355197936.db2.gz ZXCAYWWAZIAPOA-UHFFFAOYSA-N 2 2 238.297 2.388 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@@H+]1CCCC1(C)C)OC ZINC000639243738 355232192 /nfs/dbraw/zinc/23/21/92/355232192.db2.gz ZPVTWQBICCRTEQ-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@H+]1CCCC1(C)C)OC ZINC000639243738 355232194 /nfs/dbraw/zinc/23/21/94/355232194.db2.gz ZPVTWQBICCRTEQ-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)C[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347678899 355265262 /nfs/dbraw/zinc/26/52/62/355265262.db2.gz SPNCFQDQIZOCDN-UHFFFAOYSA-N 2 2 241.404 2.293 20 0 BEADLP CC(C)C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347678899 355265263 /nfs/dbraw/zinc/26/52/63/355265263.db2.gz SPNCFQDQIZOCDN-UHFFFAOYSA-N 2 2 241.404 2.293 20 0 BEADLP CCc1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000583500654 355333166 /nfs/dbraw/zinc/33/31/66/355333166.db2.gz WGJXQVXQZFSVJO-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000583500654 355333170 /nfs/dbraw/zinc/33/31/70/355333170.db2.gz WGJXQVXQZFSVJO-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000414819514 191580762 /nfs/dbraw/zinc/58/07/62/191580762.db2.gz AJAMEWMDXVXGSL-UHFFFAOYSA-N 2 2 241.338 2.058 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)CF)n2c1 ZINC000349823513 355470086 /nfs/dbraw/zinc/47/00/86/355470086.db2.gz USEZRPFIZGEEOI-UHFFFAOYSA-N 2 2 235.306 2.480 20 0 BEADLP Fc1ccc2oc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2c1 ZINC000414845476 191599317 /nfs/dbraw/zinc/59/93/17/191599317.db2.gz LZMBTKZBSGODBH-LBPRGKRZSA-N 2 2 248.301 2.414 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000414972574 191637304 /nfs/dbraw/zinc/63/73/04/191637304.db2.gz ASKDHNBQRGCXNC-JTQLQIEISA-N 2 2 241.404 2.169 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639303764 355656596 /nfs/dbraw/zinc/65/65/96/355656596.db2.gz TXSIEFXZMALPGQ-XJFOESAGSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639303764 355656598 /nfs/dbraw/zinc/65/65/98/355656598.db2.gz TXSIEFXZMALPGQ-XJFOESAGSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC1(F)F ZINC000639304767 355660167 /nfs/dbraw/zinc/66/01/67/355660167.db2.gz BEKDBALOAPBNNL-AXFHLTTASA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC1(F)F ZINC000639304767 355660170 /nfs/dbraw/zinc/66/01/70/355660170.db2.gz BEKDBALOAPBNNL-AXFHLTTASA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000335865998 355629879 /nfs/dbraw/zinc/62/98/79/355629879.db2.gz FLFGXRCFZUCKBK-SNVBAGLBSA-N 2 2 239.388 2.060 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000335865998 355629881 /nfs/dbraw/zinc/62/98/81/355629881.db2.gz FLFGXRCFZUCKBK-SNVBAGLBSA-N 2 2 239.388 2.060 20 0 BEADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000608492291 355812522 /nfs/dbraw/zinc/81/25/22/355812522.db2.gz FIWQZGFRZUCMMD-LBPRGKRZSA-N 2 2 233.359 2.169 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](CCC3CC3)C2)c[nH+]1 ZINC000608494995 355820825 /nfs/dbraw/zinc/82/08/25/355820825.db2.gz DUICCWSNEYRHIM-CYBMUJFWSA-N 2 2 219.332 2.320 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](CCC3CC3)C2)c[nH+]1 ZINC000608494995 355820827 /nfs/dbraw/zinc/82/08/27/355820827.db2.gz DUICCWSNEYRHIM-CYBMUJFWSA-N 2 2 219.332 2.320 20 0 BEADLP Cc1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000608495587 355821547 /nfs/dbraw/zinc/82/15/47/355821547.db2.gz SODUGCPERSCXLD-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000608495587 355821549 /nfs/dbraw/zinc/82/15/49/355821549.db2.gz SODUGCPERSCXLD-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351321606 355977945 /nfs/dbraw/zinc/97/79/45/355977945.db2.gz BNTFVZGKCQDWLW-UTUOFQBUSA-N 2 2 219.332 2.245 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351321606 355977949 /nfs/dbraw/zinc/97/79/49/355977949.db2.gz BNTFVZGKCQDWLW-UTUOFQBUSA-N 2 2 219.332 2.245 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420269392 192195042 /nfs/dbraw/zinc/19/50/42/192195042.db2.gz HVQBUPJELPIVDV-GFCCVEGCSA-N 2 2 224.373 2.104 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000420269392 192195044 /nfs/dbraw/zinc/19/50/44/192195044.db2.gz HVQBUPJELPIVDV-GFCCVEGCSA-N 2 2 224.373 2.104 20 0 BEADLP CCC[N@H+](CCO)Cc1c(C)cc(C)[nH+]c1C ZINC000639453076 356237268 /nfs/dbraw/zinc/23/72/68/356237268.db2.gz YRFJRIGOGODILS-UHFFFAOYSA-N 2 2 236.359 2.211 20 0 BEADLP CCC[N@@H+](CCO)Cc1c(C)cc(C)[nH+]c1C ZINC000639453076 356237272 /nfs/dbraw/zinc/23/72/72/356237272.db2.gz YRFJRIGOGODILS-UHFFFAOYSA-N 2 2 236.359 2.211 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000420291566 192203697 /nfs/dbraw/zinc/20/36/97/192203697.db2.gz NXYWKCZEIXDGFQ-JTQLQIEISA-N 2 2 238.297 2.403 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000420291566 192203699 /nfs/dbraw/zinc/20/36/99/192203699.db2.gz NXYWKCZEIXDGFQ-JTQLQIEISA-N 2 2 238.297 2.403 20 0 BEADLP CC(C)c1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC000420291486 192203424 /nfs/dbraw/zinc/20/34/24/192203424.db2.gz XEHXGBFYUOLWAB-BXUZGUMPSA-N 2 2 248.374 2.021 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420335526 192214387 /nfs/dbraw/zinc/21/43/87/192214387.db2.gz HXFFVOSAKSQPGV-CABCVRRESA-N 2 2 230.355 2.043 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420335526 192214390 /nfs/dbraw/zinc/21/43/90/192214390.db2.gz HXFFVOSAKSQPGV-CABCVRRESA-N 2 2 230.355 2.043 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000420342713 192215651 /nfs/dbraw/zinc/21/56/51/192215651.db2.gz XKMLCAVUYXZHBR-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000420342713 192215654 /nfs/dbraw/zinc/21/56/54/192215654.db2.gz XKMLCAVUYXZHBR-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCO[C@@H]1CCCC[C@@H]1C ZINC000420350376 192217074 /nfs/dbraw/zinc/21/70/74/192217074.db2.gz GQHLGBKDKPYHSB-XDQVBPFNSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCO[C@@H]1CCCC[C@@H]1C ZINC000420350376 192217077 /nfs/dbraw/zinc/21/70/77/192217077.db2.gz GQHLGBKDKPYHSB-XDQVBPFNSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000420350374 192217357 /nfs/dbraw/zinc/21/73/57/192217357.db2.gz GQHLGBKDKPYHSB-RFGFWPKPSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000420350374 192217361 /nfs/dbraw/zinc/21/73/61/192217361.db2.gz GQHLGBKDKPYHSB-RFGFWPKPSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccccc1 ZINC000420353907 192217862 /nfs/dbraw/zinc/21/78/62/192217862.db2.gz AVIDRXITKYUXAP-MBNYWOFBSA-N 2 2 218.344 2.163 20 0 BEADLP C[C@H]1OCC[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000639514291 356347668 /nfs/dbraw/zinc/34/76/68/356347668.db2.gz MZUSPOVCNTUTDL-DGCLKSJQSA-N 2 2 249.358 2.014 20 0 BEADLP CCC(F)(F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000639518509 356361844 /nfs/dbraw/zinc/36/18/44/356361844.db2.gz IVRPDDQOJILVTF-NEPJUHHUSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000639518509 356361848 /nfs/dbraw/zinc/36/18/48/356361848.db2.gz IVRPDDQOJILVTF-NEPJUHHUSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000639518509 356361850 /nfs/dbraw/zinc/36/18/50/356361850.db2.gz IVRPDDQOJILVTF-NEPJUHHUSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000639518509 356361852 /nfs/dbraw/zinc/36/18/52/356361852.db2.gz IVRPDDQOJILVTF-NEPJUHHUSA-N 2 2 246.345 2.448 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420363332 192224572 /nfs/dbraw/zinc/22/45/72/192224572.db2.gz JLBSKVSQOSFMLK-VNHYZAJKSA-N 2 2 232.371 2.471 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420367697 192224949 /nfs/dbraw/zinc/22/49/49/192224949.db2.gz NCWAIHPWYXDSAC-GZBFAFLISA-N 2 2 232.371 2.471 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1cccc(OC(F)(F)F)c1 ZINC000420400526 192238084 /nfs/dbraw/zinc/23/80/84/192238084.db2.gz IORKXUGNFZBCEX-QMMMGPOBSA-N 2 2 248.248 2.195 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H](C3CCCC3)C2)c[nH+]1 ZINC000420960165 192280966 /nfs/dbraw/zinc/28/09/66/192280966.db2.gz GILJKZMUIUMVJR-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H](C3CCCC3)C2)c[nH+]1 ZINC000420960165 192280967 /nfs/dbraw/zinc/28/09/67/192280967.db2.gz GILJKZMUIUMVJR-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449784820 202034498 /nfs/dbraw/zinc/03/44/98/202034498.db2.gz YMXQTZGLEWWJQQ-UHFFFAOYSA-N 2 2 242.432 2.346 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449784820 202034499 /nfs/dbraw/zinc/03/44/99/202034499.db2.gz YMXQTZGLEWWJQQ-UHFFFAOYSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@@H](C)O1 ZINC000449782247 202035519 /nfs/dbraw/zinc/03/55/19/202035519.db2.gz KIXLVJUHTZRUQP-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@@H](C)O1 ZINC000449782247 202035523 /nfs/dbraw/zinc/03/55/23/202035523.db2.gz KIXLVJUHTZRUQP-JHJVBQTASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449781956 202036430 /nfs/dbraw/zinc/03/64/30/202036430.db2.gz JTEGNZFRWWTBCI-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449781956 202036431 /nfs/dbraw/zinc/03/64/31/202036431.db2.gz JTEGNZFRWWTBCI-NWDGAFQWSA-N 2 2 242.432 2.202 20 0 BEADLP CCC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450467073 202175583 /nfs/dbraw/zinc/17/55/83/202175583.db2.gz KHULMFFBGCUZJR-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000450467073 202175587 /nfs/dbraw/zinc/17/55/87/202175587.db2.gz KHULMFFBGCUZJR-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000450467073 202175591 /nfs/dbraw/zinc/17/55/91/202175591.db2.gz KHULMFFBGCUZJR-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000450467073 202175594 /nfs/dbraw/zinc/17/55/94/202175594.db2.gz KHULMFFBGCUZJR-QWHCGFSZSA-N 2 2 240.391 2.160 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000623364706 356826475 /nfs/dbraw/zinc/82/64/75/356826475.db2.gz OOXVVFGGLVDCPP-ZDUSSCGKSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)n1 ZINC000623364706 356826477 /nfs/dbraw/zinc/82/64/77/356826477.db2.gz OOXVVFGGLVDCPP-ZDUSSCGKSA-N 2 2 247.386 2.352 20 0 BEADLP CCc1cc(NCCc2cccc(C)[nH+]2)cc[nH+]1 ZINC000450490149 202182448 /nfs/dbraw/zinc/18/24/48/202182448.db2.gz JZFUHXNKLTWLRR-UHFFFAOYSA-N 2 2 241.338 2.424 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000359303843 356888204 /nfs/dbraw/zinc/88/82/04/356888204.db2.gz NRBBRYKGNYGMPU-HUBLWGQQSA-N 2 2 247.386 2.245 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000359303843 356888206 /nfs/dbraw/zinc/88/82/06/356888206.db2.gz NRBBRYKGNYGMPU-HUBLWGQQSA-N 2 2 247.386 2.245 20 0 BEADLP C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1[nH]cc[nH+]1 ZINC000353686114 538760681 /nfs/dbraw/zinc/76/06/81/538760681.db2.gz JTMHPSGCQPSLAW-VIFPVBQESA-N 2 2 241.298 2.470 20 0 BEADLP C[NH2+]CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423199161 192623091 /nfs/dbraw/zinc/62/30/91/192623091.db2.gz JJDAMNBJOXUKOC-SECBINFHSA-N 2 2 228.286 2.225 20 0 BEADLP C[NH2+]CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423198850 192623796 /nfs/dbraw/zinc/62/37/96/192623796.db2.gz IGVWXAZSRYZWGQ-GFCCVEGCSA-N 2 2 240.297 2.151 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423238885 192645984 /nfs/dbraw/zinc/64/59/84/192645984.db2.gz FPPRQQJKDMYPBL-JTQLQIEISA-N 2 2 240.322 2.094 20 0 BEADLP CC(C)[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000390567234 357105298 /nfs/dbraw/zinc/10/52/98/357105298.db2.gz UEEBJZBOMLNYCY-ZDUSSCGKSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389932605 357069228 /nfs/dbraw/zinc/06/92/28/357069228.db2.gz LMWYJLMLIPRAMX-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389932605 357069232 /nfs/dbraw/zinc/06/92/32/357069232.db2.gz LMWYJLMLIPRAMX-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000390373683 357091144 /nfs/dbraw/zinc/09/11/44/357091144.db2.gz WTDSDTIOIFUHEO-JSGCOSHPSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000390373683 357091148 /nfs/dbraw/zinc/09/11/48/357091148.db2.gz WTDSDTIOIFUHEO-JSGCOSHPSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000390373682 357091349 /nfs/dbraw/zinc/09/13/49/357091349.db2.gz WTDSDTIOIFUHEO-GXTWGEPZSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000390373682 357091350 /nfs/dbraw/zinc/09/13/50/357091350.db2.gz WTDSDTIOIFUHEO-GXTWGEPZSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373107394 357118084 /nfs/dbraw/zinc/11/80/84/357118084.db2.gz SCNGZVWZYPGZBR-GFCCVEGCSA-N 2 2 221.348 2.256 20 0 BEADLP CC(C)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373107394 357118088 /nfs/dbraw/zinc/11/80/88/357118088.db2.gz SCNGZVWZYPGZBR-GFCCVEGCSA-N 2 2 221.348 2.256 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000131079213 325113167 /nfs/dbraw/zinc/11/31/67/325113167.db2.gz GPDUHXSTQZXIAE-QWRGUYRKSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000131079213 325113171 /nfs/dbraw/zinc/11/31/71/325113171.db2.gz GPDUHXSTQZXIAE-QWRGUYRKSA-N 2 2 212.381 2.493 20 0 BEADLP Cc1ncccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000237589890 357238664 /nfs/dbraw/zinc/23/86/64/357238664.db2.gz DHWBOBPGAOQVPK-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC000393608792 357288959 /nfs/dbraw/zinc/28/89/59/357288959.db2.gz RFHWLKZSAUSLBS-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CC1 ZINC000393608792 357288964 /nfs/dbraw/zinc/28/89/64/357288964.db2.gz RFHWLKZSAUSLBS-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC(F)(F)CC2)n1C ZINC000628422430 357245063 /nfs/dbraw/zinc/24/50/63/357245063.db2.gz HGWNTCWZWVFCKE-UHFFFAOYSA-N 2 2 243.301 2.350 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC(F)(F)CC2)n1C ZINC000628422430 357245065 /nfs/dbraw/zinc/24/50/65/357245065.db2.gz HGWNTCWZWVFCKE-UHFFFAOYSA-N 2 2 243.301 2.350 20 0 BEADLP CC[C@]1(C)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131523432 325161364 /nfs/dbraw/zinc/16/13/64/325161364.db2.gz BCMGEOOWWRCEAW-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@]1(C)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131523432 325161366 /nfs/dbraw/zinc/16/13/66/325161366.db2.gz BCMGEOOWWRCEAW-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1cccc(O)c1 ZINC000582892635 357424000 /nfs/dbraw/zinc/42/40/00/357424000.db2.gz NMNZMLCSDXGJGF-ZDUSSCGKSA-N 2 2 236.359 2.197 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(O)c1 ZINC000582892635 357424005 /nfs/dbraw/zinc/42/40/05/357424005.db2.gz NMNZMLCSDXGJGF-ZDUSSCGKSA-N 2 2 236.359 2.197 20 0 BEADLP CC[N@H+](CC[NH2+]C1CCC(OC)CC1)C1CC1 ZINC000230388926 357531716 /nfs/dbraw/zinc/53/17/16/357531716.db2.gz VMDKYHKAUFPDMZ-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CCC(OC)CC1)C1CC1 ZINC000230388926 357531722 /nfs/dbraw/zinc/53/17/22/357531722.db2.gz VMDKYHKAUFPDMZ-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CCOCC(C)(C)[NH2+]CCc1cc[nH+]cc1C ZINC000397535030 357558567 /nfs/dbraw/zinc/55/85/67/357558567.db2.gz OGKGMYCTNBZTAG-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@H]1CC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)O1 ZINC000188573444 357562424 /nfs/dbraw/zinc/56/24/24/357562424.db2.gz YUBCKLUEFCAJET-GXTWGEPZSA-N 2 2 249.358 2.088 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C(C)(C)C(C)(C)O ZINC000397538632 357562971 /nfs/dbraw/zinc/56/29/71/357562971.db2.gz SJHCEAYYRRJQFN-UHFFFAOYSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)CC1(O)CCCC1 ZINC000397630940 357617599 /nfs/dbraw/zinc/61/75/99/357617599.db2.gz CFVRMDNMSYOYRD-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)CC1(O)CCCC1 ZINC000397630940 357617603 /nfs/dbraw/zinc/61/76/03/357617603.db2.gz CFVRMDNMSYOYRD-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+]C(C)(C)c1nccs1 ZINC000232622393 357669861 /nfs/dbraw/zinc/66/98/61/357669861.db2.gz ZITVDWUHKSCLIG-JTQLQIEISA-N 2 2 241.404 2.341 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)no1 ZINC000583316281 357898948 /nfs/dbraw/zinc/89/89/48/357898948.db2.gz DPJZNFFHVSBQME-NSHDSACASA-N 2 2 225.336 2.022 20 0 BEADLP Cc1ccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c(C)[nH+]1 ZINC000399396420 357905735 /nfs/dbraw/zinc/90/57/35/357905735.db2.gz VBQMKRZQYZJTQV-GXFFZTMASA-N 2 2 249.358 2.256 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000133146047 325271218 /nfs/dbraw/zinc/27/12/18/325271218.db2.gz XUWFBJPFQFZKTA-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000133146047 325271223 /nfs/dbraw/zinc/27/12/23/325271223.db2.gz XUWFBJPFQFZKTA-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000583740342 357931520 /nfs/dbraw/zinc/93/15/20/357931520.db2.gz RRBYTTNDEKZUDE-NSHDSACASA-N 2 2 242.313 2.428 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCC(CCF)CC1 ZINC000639990563 358037478 /nfs/dbraw/zinc/03/74/78/358037478.db2.gz YJEIJTAMZVMTEJ-UHFFFAOYSA-N 2 2 239.338 2.263 20 0 BEADLP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)c(C)s1 ZINC000668538735 491127376 /nfs/dbraw/zinc/12/73/76/491127376.db2.gz BDTZEASXZYIAEK-UHFFFAOYSA-N 2 2 238.400 2.358 20 0 BEADLP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)c(C)s1 ZINC000668538735 491127377 /nfs/dbraw/zinc/12/73/77/491127377.db2.gz BDTZEASXZYIAEK-UHFFFAOYSA-N 2 2 238.400 2.358 20 0 BEADLP CCSCC[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000309914921 491128491 /nfs/dbraw/zinc/12/84/91/491128491.db2.gz OSAJILJAUZDBEI-GFCCVEGCSA-N 2 2 244.448 2.450 20 0 BEADLP CCSCC[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000309914921 491128492 /nfs/dbraw/zinc/12/84/92/491128492.db2.gz OSAJILJAUZDBEI-GFCCVEGCSA-N 2 2 244.448 2.450 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000226010519 358332835 /nfs/dbraw/zinc/33/28/35/358332835.db2.gz CEQCNIQMTMPKQO-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000226010519 358332839 /nfs/dbraw/zinc/33/28/39/358332839.db2.gz CEQCNIQMTMPKQO-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccnc2ccccc12 ZINC000228717264 358384465 /nfs/dbraw/zinc/38/44/65/358384465.db2.gz UMIVDJLYQNAHOU-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C(C)C)CC2 ZINC000174218141 134279420 /nfs/dbraw/zinc/27/94/20/134279420.db2.gz PBASXZDPGQXYRE-OLZOCXBDSA-N 2 2 210.365 2.342 20 0 BEADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C(C)C)CC2 ZINC000174218141 134279421 /nfs/dbraw/zinc/27/94/21/134279421.db2.gz PBASXZDPGQXYRE-OLZOCXBDSA-N 2 2 210.365 2.342 20 0 BEADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C(C)C)CC2 ZINC000174218141 134279422 /nfs/dbraw/zinc/27/94/22/134279422.db2.gz PBASXZDPGQXYRE-OLZOCXBDSA-N 2 2 210.365 2.342 20 0 BEADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C(C)C)CC2 ZINC000174218141 134279423 /nfs/dbraw/zinc/27/94/23/134279423.db2.gz PBASXZDPGQXYRE-OLZOCXBDSA-N 2 2 210.365 2.342 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2cncs2)CC1 ZINC000125211141 358535552 /nfs/dbraw/zinc/53/55/52/358535552.db2.gz FDIITMDHWACHFM-UHFFFAOYSA-N 2 2 239.388 2.059 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2cncs2)CC1 ZINC000125211141 358535558 /nfs/dbraw/zinc/53/55/58/358535558.db2.gz FDIITMDHWACHFM-UHFFFAOYSA-N 2 2 239.388 2.059 20 0 BEADLP c1cn(CC[NH2+]Cc2coc3ccccc23)c[nH+]1 ZINC000130965198 358654457 /nfs/dbraw/zinc/65/44/57/358654457.db2.gz ZDQUFVWJEGYOTP-UHFFFAOYSA-N 2 2 241.294 2.419 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)Nc1[nH]c2ccccc2[nH+]1 ZINC000049235884 358677106 /nfs/dbraw/zinc/67/71/06/358677106.db2.gz DLCBRPVYSAHKAP-SNVBAGLBSA-N 2 2 241.298 2.260 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132060020 358705626 /nfs/dbraw/zinc/70/56/26/358705626.db2.gz KZVOSBBGCYLGHT-UGFHNGPFSA-N 3 2 247.386 2.061 20 0 BEADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000135610775 358846779 /nfs/dbraw/zinc/84/67/79/358846779.db2.gz RSAMMOPCSJVPGH-CVEARBPZSA-N 2 2 244.382 2.476 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000054081344 358850590 /nfs/dbraw/zinc/85/05/90/358850590.db2.gz PHWBKKFTYPRCGJ-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000054081344 358850593 /nfs/dbraw/zinc/85/05/93/358850593.db2.gz PHWBKKFTYPRCGJ-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1c[nH+]ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000070047248 359040400 /nfs/dbraw/zinc/04/04/00/359040400.db2.gz QZFXZYCWULUNEK-NSHDSACASA-N 2 2 216.288 2.087 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CCO1 ZINC000070345996 359050351 /nfs/dbraw/zinc/05/03/51/359050351.db2.gz UVBQSFXVXNPXKI-STQMWFEESA-N 2 2 242.407 2.120 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070142989 359042890 /nfs/dbraw/zinc/04/28/90/359042890.db2.gz CRLXOHNHGZBUCG-LLVKDONJSA-N 2 2 238.379 2.010 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143850 359043295 /nfs/dbraw/zinc/04/32/95/359043295.db2.gz ZAVMUHHKXVUGGO-GHMZBOCLSA-N 2 2 238.379 2.010 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419819 359079470 /nfs/dbraw/zinc/07/94/70/359079470.db2.gz BVHVSPQNJOSHFL-ZFWWWQNUSA-N 2 2 247.386 2.244 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419819 359079471 /nfs/dbraw/zinc/07/94/71/359079471.db2.gz BVHVSPQNJOSHFL-ZFWWWQNUSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419819 359079473 /nfs/dbraw/zinc/07/94/73/359079473.db2.gz BVHVSPQNJOSHFL-ZFWWWQNUSA-N 2 2 247.386 2.244 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccn2)[C@@H](C)C1 ZINC000246419819 359079474 /nfs/dbraw/zinc/07/94/74/359079474.db2.gz BVHVSPQNJOSHFL-ZFWWWQNUSA-N 2 2 247.386 2.244 20 0 BEADLP Cc1cc(NC[C@@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000070447777 359056492 /nfs/dbraw/zinc/05/64/92/359056492.db2.gz RZSWWMKQTKWBIU-LLVKDONJSA-N 2 2 236.363 2.304 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070562805 359059932 /nfs/dbraw/zinc/05/99/32/359059932.db2.gz QRSHUOIPNDIFSO-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CC(C)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247630818 359237335 /nfs/dbraw/zinc/23/73/35/359237335.db2.gz NUKVLELIUDTMDW-CHWSQXEVSA-N 2 2 221.348 2.422 20 0 BEADLP CC(C)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247630818 359237338 /nfs/dbraw/zinc/23/73/38/359237338.db2.gz NUKVLELIUDTMDW-CHWSQXEVSA-N 2 2 221.348 2.422 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000308892559 491139797 /nfs/dbraw/zinc/13/97/97/491139797.db2.gz YDUDZQGSJDLPSE-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000308892559 491139798 /nfs/dbraw/zinc/13/97/98/491139798.db2.gz YDUDZQGSJDLPSE-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC3(CC3)CC2)n1C ZINC000628480211 359318321 /nfs/dbraw/zinc/31/83/21/359318321.db2.gz DZBWZCVNGJUYES-UHFFFAOYSA-N 2 2 233.359 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000628477258 359312406 /nfs/dbraw/zinc/31/24/06/359312406.db2.gz OKRLSHZAWNVDGN-OWCLPIDISA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000628477258 359312410 /nfs/dbraw/zinc/31/24/10/359312410.db2.gz OKRLSHZAWNVDGN-OWCLPIDISA-N 2 2 244.382 2.474 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423386507 192760803 /nfs/dbraw/zinc/76/08/03/192760803.db2.gz SAMABHDJRMHLOW-RISCZKNCSA-N 2 2 248.370 2.270 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423472341 192785353 /nfs/dbraw/zinc/78/53/53/192785353.db2.gz QCXLBJRSJCDCCE-VXGBXAGGSA-N 2 2 236.359 2.392 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000308973661 491141641 /nfs/dbraw/zinc/14/16/41/491141641.db2.gz AOHXAYKMCCXUSD-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCF)C1 ZINC000308996542 491142013 /nfs/dbraw/zinc/14/20/13/491142013.db2.gz PVTLNMNEQFZQHI-LBPRGKRZSA-N 2 2 216.344 2.199 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCF)C1 ZINC000308996542 491142014 /nfs/dbraw/zinc/14/20/14/491142014.db2.gz PVTLNMNEQFZQHI-LBPRGKRZSA-N 2 2 216.344 2.199 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000308992182 491142055 /nfs/dbraw/zinc/14/20/55/491142055.db2.gz LLLHYUAERCVNTP-RYUDHWBXSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308978628 491141705 /nfs/dbraw/zinc/14/17/05/491141705.db2.gz HIXNPLKKJQKMAK-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308978628 491141706 /nfs/dbraw/zinc/14/17/06/491141706.db2.gz HIXNPLKKJQKMAK-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000309038722 491143090 /nfs/dbraw/zinc/14/30/90/491143090.db2.gz JUBNDPCRBQUIIX-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP FCC1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000578360382 366538614 /nfs/dbraw/zinc/53/86/14/366538614.db2.gz GWUZLMWUCJKUTQ-UHFFFAOYSA-N 2 2 226.339 2.095 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000578533512 366592265 /nfs/dbraw/zinc/59/22/65/366592265.db2.gz PXJVURIHXWJKML-TZMCWYRMSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000578533510 366593646 /nfs/dbraw/zinc/59/36/46/366593646.db2.gz PXJVURIHXWJKML-JSGCOSHPSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2(C)CCC2)n1C ZINC000578643909 366617966 /nfs/dbraw/zinc/61/79/66/366617966.db2.gz GLRJDGZWTQYVEI-UHFFFAOYSA-N 2 2 207.321 2.008 20 0 BEADLP COCc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000088555216 359965469 /nfs/dbraw/zinc/96/54/69/359965469.db2.gz QKCRXAPLYXLOEU-HNNXBMFYSA-N 2 2 248.370 2.146 20 0 BEADLP COCc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000088555216 359965474 /nfs/dbraw/zinc/96/54/74/359965474.db2.gz QKCRXAPLYXLOEU-HNNXBMFYSA-N 2 2 248.370 2.146 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000309313479 491146762 /nfs/dbraw/zinc/14/67/62/491146762.db2.gz OQROWXNOWUEWIF-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccco1 ZINC000091892457 360134037 /nfs/dbraw/zinc/13/40/37/360134037.db2.gz UVDNJMYNFSSMLT-OLZOCXBDSA-N 2 2 234.343 2.338 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccco1 ZINC000091892457 360134038 /nfs/dbraw/zinc/13/40/38/360134038.db2.gz UVDNJMYNFSSMLT-OLZOCXBDSA-N 2 2 234.343 2.338 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000091892457 360134039 /nfs/dbraw/zinc/13/40/39/360134039.db2.gz UVDNJMYNFSSMLT-OLZOCXBDSA-N 2 2 234.343 2.338 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000091892457 360134040 /nfs/dbraw/zinc/13/40/40/360134040.db2.gz UVDNJMYNFSSMLT-OLZOCXBDSA-N 2 2 234.343 2.338 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000094365962 360305377 /nfs/dbraw/zinc/30/53/77/360305377.db2.gz JKWITMGEFHGQCW-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC23CC3)n1C ZINC000631193035 360590342 /nfs/dbraw/zinc/59/03/42/360590342.db2.gz MNBSHUDQEQWRSJ-LBPRGKRZSA-N 2 2 219.332 2.151 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309554401 491151311 /nfs/dbraw/zinc/15/13/11/491151311.db2.gz LUBRKTOUUYMSAL-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000309606414 491152292 /nfs/dbraw/zinc/15/22/92/491152292.db2.gz YTGJRQUIDVMOMP-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000309606414 491152293 /nfs/dbraw/zinc/15/22/93/491152293.db2.gz YTGJRQUIDVMOMP-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309609362 491152409 /nfs/dbraw/zinc/15/24/09/491152409.db2.gz ZNMRNZJEPDLVSW-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309609362 491152410 /nfs/dbraw/zinc/15/24/10/491152410.db2.gz ZNMRNZJEPDLVSW-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H]([NH3+])c1ccc(C[NH2+]CC[NH2+]C(C)(C)C)cc1 ZINC000414815264 200766594 /nfs/dbraw/zinc/76/65/94/200766594.db2.gz OYZCUIHVIQVWCP-LBPRGKRZSA-N 3 2 249.402 2.184 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000629407153 361055020 /nfs/dbraw/zinc/05/50/20/361055020.db2.gz VYBWWYBFHXHFBH-SMDDNHRTSA-N 2 2 241.338 2.075 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1nccc2ccccc21 ZINC000629407612 361056428 /nfs/dbraw/zinc/05/64/28/361056428.db2.gz FOSPGKNKFBGTFH-SMDDNHRTSA-N 2 2 241.338 2.075 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1C ZINC000629389854 361036596 /nfs/dbraw/zinc/03/65/96/361036596.db2.gz CGFNPUAFYZISST-UONOGXRCSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC000629390228 361038034 /nfs/dbraw/zinc/03/80/34/361038034.db2.gz BCCAPXYGZXWZFK-UONOGXRCSA-N 2 2 218.344 2.225 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629394838 361043579 /nfs/dbraw/zinc/04/35/79/361043579.db2.gz MNFSCLCHEPUABT-OCCSQVGLSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629390564 361044727 /nfs/dbraw/zinc/04/47/27/361044727.db2.gz IGTXVSKERXIOHO-LSDHHAIUSA-N 2 2 248.370 2.315 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631572701 361075352 /nfs/dbraw/zinc/07/53/52/361075352.db2.gz DQORZDSKWZBLBZ-SWLSCSKDSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631572701 361075357 /nfs/dbraw/zinc/07/53/57/361075357.db2.gz DQORZDSKWZBLBZ-SWLSCSKDSA-N 2 2 245.370 2.143 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000158513107 361200662 /nfs/dbraw/zinc/20/06/62/361200662.db2.gz GCZMZLCWKREGCD-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000158513107 361200665 /nfs/dbraw/zinc/20/06/65/361200665.db2.gz GCZMZLCWKREGCD-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]CC1CCCCCC1 ZINC000159077403 361220612 /nfs/dbraw/zinc/22/06/12/361220612.db2.gz ZWSLJODHHBKXOB-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579121906 366716198 /nfs/dbraw/zinc/71/61/98/366716198.db2.gz IAMLKNFWZURJCD-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000579121906 366716201 /nfs/dbraw/zinc/71/62/01/366716201.db2.gz IAMLKNFWZURJCD-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH]c(CNc2ccc(N(C)C)c[nH+]2)[nH+]c1C ZINC000579131063 366720629 /nfs/dbraw/zinc/72/06/29/366720629.db2.gz YORLSWKKTKKSPW-UHFFFAOYSA-N 2 2 245.330 2.100 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)[C@@H]1C ZINC000082858900 491156681 /nfs/dbraw/zinc/15/66/81/491156681.db2.gz WQDRSFNXMOSOPW-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)[C@@H]1C ZINC000082858900 491156682 /nfs/dbraw/zinc/15/66/82/491156682.db2.gz WQDRSFNXMOSOPW-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)CCC1 ZINC000429516811 201112133 /nfs/dbraw/zinc/11/21/33/201112133.db2.gz FGNIKFQIOJIWHH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)CCC1 ZINC000429516811 201112135 /nfs/dbraw/zinc/11/21/35/201112135.db2.gz FGNIKFQIOJIWHH-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560022 201115569 /nfs/dbraw/zinc/11/55/69/201115569.db2.gz IVKKJLDSCNRZST-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560022 201115571 /nfs/dbraw/zinc/11/55/71/201115571.db2.gz IVKKJLDSCNRZST-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560017 201116827 /nfs/dbraw/zinc/11/68/27/201116827.db2.gz IVKKJLDSCNRZST-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000429560017 201116833 /nfs/dbraw/zinc/11/68/33/201116833.db2.gz IVKKJLDSCNRZST-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000629544250 361423633 /nfs/dbraw/zinc/42/36/33/361423633.db2.gz HAGSLKKIWNPTSP-ZLKJLUDKSA-N 2 2 246.354 2.110 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000629547856 361431588 /nfs/dbraw/zinc/43/15/88/361431588.db2.gz KWXCLAKTESRLSX-TUKIKUTGSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cs1 ZINC000629548283 361432967 /nfs/dbraw/zinc/43/29/67/361432967.db2.gz YUWGCMSEBBLTTR-JBLDHEPKSA-N 2 2 224.373 2.458 20 0 BEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(F)c1)C2 ZINC000629584269 361469789 /nfs/dbraw/zinc/46/97/89/361469789.db2.gz NRBUCDNDIXNWRO-GASCZTMLSA-N 2 2 248.345 2.257 20 0 BEADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(F)c1)C2 ZINC000629584269 361469791 /nfs/dbraw/zinc/46/97/91/361469791.db2.gz NRBUCDNDIXNWRO-GASCZTMLSA-N 2 2 248.345 2.257 20 0 BEADLP CC[N@H+](CC[NH3+])CCc1nsc2ccccc21 ZINC000629557697 361452135 /nfs/dbraw/zinc/45/21/35/361452135.db2.gz CYHSPPAICMMCPG-UHFFFAOYSA-N 2 2 249.383 2.119 20 0 BEADLP CC[N@@H+](CC[NH3+])CCc1nsc2ccccc21 ZINC000629557697 361452139 /nfs/dbraw/zinc/45/21/39/361452139.db2.gz CYHSPPAICMMCPG-UHFFFAOYSA-N 2 2 249.383 2.119 20 0 BEADLP COC1(C[NH2+]C[C@H]([NH3+])c2ccccc2)CCCC1 ZINC000629647651 361537668 /nfs/dbraw/zinc/53/76/68/361537668.db2.gz DBCVRMANCCFORA-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655678 361560650 /nfs/dbraw/zinc/56/06/50/361560650.db2.gz XMZIXJXKRUTQDU-UPJWGTAASA-N 2 2 242.432 2.330 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655678 361560653 /nfs/dbraw/zinc/56/06/53/361560653.db2.gz XMZIXJXKRUTQDU-UPJWGTAASA-N 2 2 242.432 2.330 20 0 BEADLP C[NH2+]c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000629652653 361552023 /nfs/dbraw/zinc/55/20/23/361552023.db2.gz BBYPGJFHFFMPNJ-ZWNOBZJWSA-N 2 2 219.332 2.410 20 0 BEADLP C[NH2+]c1ccc(N[C@@H]2C[NH2+]C[C@H](C)C2)cc1 ZINC000629653688 361552634 /nfs/dbraw/zinc/55/26/34/361552634.db2.gz MFBDOHGSDNOBHK-MFKMUULPSA-N 2 2 219.332 2.138 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc2nc(C)sc2c1 ZINC000629651069 361555767 /nfs/dbraw/zinc/55/57/67/361555767.db2.gz IPYPGSZXVMJXJH-UHFFFAOYSA-N 2 2 249.383 2.385 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc2nc(C)sc2c1 ZINC000629651069 361555774 /nfs/dbraw/zinc/55/57/74/361555774.db2.gz IPYPGSZXVMJXJH-UHFFFAOYSA-N 2 2 249.383 2.385 20 0 BEADLP Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000629651865 361556905 /nfs/dbraw/zinc/55/69/05/361556905.db2.gz MJRXMGAHPIYTRQ-CABCVRRESA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000629651865 361556907 /nfs/dbraw/zinc/55/69/07/361556907.db2.gz MJRXMGAHPIYTRQ-CABCVRRESA-N 2 2 247.386 2.132 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2cnccc2c1 ZINC000629671792 361591421 /nfs/dbraw/zinc/59/14/21/361591421.db2.gz HBHBRKARCDACAH-XHDPSFHLSA-N 2 2 241.338 2.075 20 0 BEADLP Cc1[nH]cc(-c2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC000629701326 361632015 /nfs/dbraw/zinc/63/20/15/361632015.db2.gz VBMGFMDGANWIBC-UHFFFAOYSA-N 2 2 245.326 2.326 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nccs1 ZINC000153314571 201231379 /nfs/dbraw/zinc/23/13/79/201231379.db2.gz PHZLDYWPIHUJLI-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nccs1 ZINC000153314571 201231382 /nfs/dbraw/zinc/23/13/82/201231382.db2.gz PHZLDYWPIHUJLI-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154598685 201285604 /nfs/dbraw/zinc/28/56/04/201285604.db2.gz JDIZORRKBUGLRP-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154598685 201285608 /nfs/dbraw/zinc/28/56/08/201285608.db2.gz JDIZORRKBUGLRP-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)N(C)c1ccc(C2=CC[NH2+]CC2)c[nH+]1 ZINC000629722526 361662726 /nfs/dbraw/zinc/66/27/26/361662726.db2.gz BPUXQNGVNDQLKB-UHFFFAOYSA-N 2 2 231.343 2.303 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000155781080 201353446 /nfs/dbraw/zinc/35/34/46/201353446.db2.gz QRCJMONMMIQWGX-NSHDSACASA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000155781080 201353450 /nfs/dbraw/zinc/35/34/50/201353450.db2.gz QRCJMONMMIQWGX-NSHDSACASA-N 2 2 200.370 2.351 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398959889 364280597 /nfs/dbraw/zinc/28/05/97/364280597.db2.gz LPQMHQOUFFHQEH-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)C(F)(F)F)n1C ZINC000579496709 366835239 /nfs/dbraw/zinc/83/52/39/366835239.db2.gz OUTVXBYVUGZDSG-ZETCQYMHSA-N 2 2 235.253 2.017 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000226508476 541365146 /nfs/dbraw/zinc/36/51/46/541365146.db2.gz OMPZXEHZATWGHE-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000226508476 541365148 /nfs/dbraw/zinc/36/51/48/541365148.db2.gz OMPZXEHZATWGHE-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cncs1 ZINC000573530072 364855281 /nfs/dbraw/zinc/85/52/81/364855281.db2.gz QPTRFJOIXBEKNR-DTWKUNHWSA-N 2 2 248.355 2.074 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cncs1 ZINC000573530072 364855283 /nfs/dbraw/zinc/85/52/83/364855283.db2.gz QPTRFJOIXBEKNR-DTWKUNHWSA-N 2 2 248.355 2.074 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000299921041 364821496 /nfs/dbraw/zinc/82/14/96/364821496.db2.gz PLXXFGRFWZLYOE-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000299921041 364821503 /nfs/dbraw/zinc/82/15/03/364821503.db2.gz PLXXFGRFWZLYOE-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2(C(C)C)CC2)n1C ZINC000573743037 364907974 /nfs/dbraw/zinc/90/79/74/364907974.db2.gz DNXKYHDPIPPQBW-UHFFFAOYSA-N 2 2 207.321 2.007 20 0 BEADLP [NH3+]CCC[N@@H+](Cc1ccon1)CC1CCCC1 ZINC000352507990 181379551 /nfs/dbraw/zinc/37/95/51/181379551.db2.gz FUQBOPMLRRPMGO-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP [NH3+]CCC[N@H+](Cc1ccon1)CC1CCCC1 ZINC000352507990 181379553 /nfs/dbraw/zinc/37/95/53/181379553.db2.gz FUQBOPMLRRPMGO-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@H](C)C2)n1C ZINC000574220108 365014467 /nfs/dbraw/zinc/01/44/67/365014467.db2.gz AZXLBXDXRBIZON-JQWIXIFHSA-N 2 2 221.348 2.254 20 0 BEADLP [NH3+]CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000057529583 181392315 /nfs/dbraw/zinc/39/23/15/181392315.db2.gz CLCRPTCSKLWJJZ-UHFFFAOYSA-N 2 2 238.762 2.478 20 0 BEADLP Cc1ccc(F)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000574531946 365084859 /nfs/dbraw/zinc/08/48/59/365084859.db2.gz WRFNEDDUOXVJGF-UHFFFAOYSA-N 2 2 236.334 2.320 20 0 BEADLP Cc1ccc(NC(=O)CCC(C)(C)[NH3+])c(C)[nH+]1 ZINC000094665954 541451606 /nfs/dbraw/zinc/45/16/06/541451606.db2.gz VUHRNKJVBZAJLY-UHFFFAOYSA-N 2 2 235.331 2.154 20 0 BEADLP [NH3+]CC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000062620182 181396151 /nfs/dbraw/zinc/39/61/51/181396151.db2.gz JTCQXQSVXQAXAW-LLVKDONJSA-N 2 2 240.734 2.102 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000171416197 365197928 /nfs/dbraw/zinc/19/79/28/365197928.db2.gz KTSQVDOWZXIARH-GFCCVEGCSA-N 2 2 244.342 2.012 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC2(F)F)n1C ZINC000575936253 365422016 /nfs/dbraw/zinc/42/20/16/365422016.db2.gz PHBFRHVHDXLFFA-JTQLQIEISA-N 2 2 243.301 2.254 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccoc1 ZINC000087289864 365496082 /nfs/dbraw/zinc/49/60/82/365496082.db2.gz RBVDZUHMWIPDMF-WDEREUQCSA-N 2 2 219.288 2.215 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccoc1 ZINC000087289863 365496274 /nfs/dbraw/zinc/49/62/74/365496274.db2.gz RBVDZUHMWIPDMF-MNOVXSKESA-N 2 2 219.288 2.215 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182622055 366923165 /nfs/dbraw/zinc/92/31/65/366923165.db2.gz FNRWOTTUJNRBOV-BETUJISGSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182622055 366923171 /nfs/dbraw/zinc/92/31/71/366923171.db2.gz FNRWOTTUJNRBOV-BETUJISGSA-N 2 2 221.348 2.251 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000579822676 367024500 /nfs/dbraw/zinc/02/45/00/367024500.db2.gz GSVWPNLBGPRPTA-VXGBXAGGSA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000579822673 367024560 /nfs/dbraw/zinc/02/45/60/367024560.db2.gz GSVWPNLBGPRPTA-NEPJUHHUSA-N 2 2 236.359 2.392 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)C(C)C)n1C ZINC000581381023 367411890 /nfs/dbraw/zinc/41/18/90/367411890.db2.gz NGOPKXDLWRYMDF-SNVBAGLBSA-N 2 2 209.337 2.110 20 0 BEADLP CC(C)C(C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)C ZINC000381276135 367373494 /nfs/dbraw/zinc/37/34/94/367373494.db2.gz XACCLQZFDJKMPB-OCCSQVGLSA-N 2 2 226.408 2.454 20 0 BEADLP CC(C)C(C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000381276135 367373502 /nfs/dbraw/zinc/37/35/02/367373502.db2.gz XACCLQZFDJKMPB-OCCSQVGLSA-N 2 2 226.408 2.454 20 0 BEADLP CCc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])s1 ZINC000383002672 367584401 /nfs/dbraw/zinc/58/44/01/367584401.db2.gz WLHKUMOSDUIHMV-VIFPVBQESA-N 2 2 212.362 2.090 20 0 BEADLP CCc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])s1 ZINC000383002672 367584406 /nfs/dbraw/zinc/58/44/06/367584406.db2.gz WLHKUMOSDUIHMV-VIFPVBQESA-N 2 2 212.362 2.090 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccncc1 ZINC000383959899 367664318 /nfs/dbraw/zinc/66/43/18/367664318.db2.gz OOPVPIPTIJXFPQ-OCCSQVGLSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000383959899 367664323 /nfs/dbraw/zinc/66/43/23/367664323.db2.gz OOPVPIPTIJXFPQ-OCCSQVGLSA-N 2 2 235.375 2.448 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000384776083 367729840 /nfs/dbraw/zinc/72/98/40/367729840.db2.gz PQLUISUFJJGXMQ-MNOVXSKESA-N 2 2 200.370 2.351 20 0 BEADLP Cc1cnccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000384920527 367757070 /nfs/dbraw/zinc/75/70/70/367757070.db2.gz FFEGFXCEMPJZIH-UHFFFAOYSA-N 2 2 244.342 2.157 20 0 BEADLP Cc1cnccc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000385049250 367779036 /nfs/dbraw/zinc/77/90/36/367779036.db2.gz QHAPBGNUPCAXAM-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cnccc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000385049250 367779043 /nfs/dbraw/zinc/77/90/43/367779043.db2.gz QHAPBGNUPCAXAM-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@@H]1[C@H](C)C[N@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000581734854 367798313 /nfs/dbraw/zinc/79/83/13/367798313.db2.gz YVILPUWFWRHLLO-UPJWGTAASA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1[C@H](C)C[N@@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000581734854 367798317 /nfs/dbraw/zinc/79/83/17/367798317.db2.gz YVILPUWFWRHLLO-UPJWGTAASA-N 2 2 235.375 2.329 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000581735812 367799823 /nfs/dbraw/zinc/79/98/23/367799823.db2.gz CLLWYSREPYTXOR-UHFFFAOYSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000386624349 368003881 /nfs/dbraw/zinc/00/38/81/368003881.db2.gz YPWDMWMYXVJXGN-GXTWGEPZSA-N 2 2 233.359 2.010 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C[NH2+]1 ZINC000399283572 368066833 /nfs/dbraw/zinc/06/68/33/368066833.db2.gz YHSWKJUWRGSOCD-NTZNESFSSA-N 2 2 234.343 2.387 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399243990 368045153 /nfs/dbraw/zinc/04/51/53/368045153.db2.gz VKHXVZAEENMGDY-OCCSQVGLSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252799307 368095200 /nfs/dbraw/zinc/09/52/00/368095200.db2.gz RQBLVYRCKTVKHE-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP c1c(CCNc2cccc[nH+]2)[nH+]c2ccccn12 ZINC000073448499 368806525 /nfs/dbraw/zinc/80/65/25/368806525.db2.gz XXHVRRFPPWZZKW-UHFFFAOYSA-N 2 2 238.294 2.384 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000164466338 203118134 /nfs/dbraw/zinc/11/81/34/203118134.db2.gz ZTXCKJDRDJXPPM-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H](C1CC1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459292335 203248309 /nfs/dbraw/zinc/24/83/09/203248309.db2.gz DINUZTGZGAHKBD-NSHDSACASA-N 2 2 233.359 2.226 20 0 BEADLP C[C@@H](C1CC1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459292335 203248312 /nfs/dbraw/zinc/24/83/12/203248312.db2.gz DINUZTGZGAHKBD-NSHDSACASA-N 2 2 233.359 2.226 20 0 BEADLP C[C@H]1CCC[C@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297583 203249949 /nfs/dbraw/zinc/24/99/49/203249949.db2.gz JLYJUWOQIYIALJ-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCC[C@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297583 203249951 /nfs/dbraw/zinc/24/99/51/203249951.db2.gz JLYJUWOQIYIALJ-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)C(C)C ZINC000459310696 203252322 /nfs/dbraw/zinc/25/23/22/203252322.db2.gz WTJXDTJLHCMWDG-UHFFFAOYSA-N 2 2 223.364 2.329 20 0 BEADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)C(C)C ZINC000459310696 203252325 /nfs/dbraw/zinc/25/23/25/203252325.db2.gz WTJXDTJLHCMWDG-UHFFFAOYSA-N 2 2 223.364 2.329 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459381521 203271375 /nfs/dbraw/zinc/27/13/75/203271375.db2.gz CMLUKFXBOFASFJ-BPCQOVAHSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459381521 203271379 /nfs/dbraw/zinc/27/13/79/203271379.db2.gz CMLUKFXBOFASFJ-BPCQOVAHSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)C(C)C ZINC000459333198 203257851 /nfs/dbraw/zinc/25/78/51/203257851.db2.gz YRTZAGGMXSFNRY-GFCCVEGCSA-N 2 2 223.364 2.329 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)C(C)C ZINC000459333198 203257853 /nfs/dbraw/zinc/25/78/53/203257853.db2.gz YRTZAGGMXSFNRY-GFCCVEGCSA-N 2 2 223.364 2.329 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000459321909 203258530 /nfs/dbraw/zinc/25/85/30/203258530.db2.gz BGTPJHPXYLQBJJ-CQSZACIVSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000459321909 203258532 /nfs/dbraw/zinc/25/85/32/203258532.db2.gz BGTPJHPXYLQBJJ-CQSZACIVSA-N 2 2 233.359 2.227 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CCC[N@@H+]1C ZINC000459486657 203291602 /nfs/dbraw/zinc/29/16/02/203291602.db2.gz RPGQJXHIGSNONG-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CCC[N@H+]1C ZINC000459486657 203291605 /nfs/dbraw/zinc/29/16/05/203291605.db2.gz RPGQJXHIGSNONG-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459452968 203283576 /nfs/dbraw/zinc/28/35/76/203283576.db2.gz ZHVZOGZOKQNFQB-CYBMUJFWSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459452968 203283577 /nfs/dbraw/zinc/28/35/77/203283577.db2.gz ZHVZOGZOKQNFQB-CYBMUJFWSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)(C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000108424018 369392876 /nfs/dbraw/zinc/39/28/76/369392876.db2.gz KZWQZLDLMSYDCU-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)(C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108424018 369392880 /nfs/dbraw/zinc/39/28/80/369392880.db2.gz KZWQZLDLMSYDCU-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859036 369446418 /nfs/dbraw/zinc/44/64/18/369446418.db2.gz ICSGTXYHUREXBF-JSGCOSHPSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631859036 369446421 /nfs/dbraw/zinc/44/64/21/369446421.db2.gz ICSGTXYHUREXBF-JSGCOSHPSA-N 2 2 248.370 2.395 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631857635 369435770 /nfs/dbraw/zinc/43/57/70/369435770.db2.gz LENOYIWQOXMQMO-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631857635 369435772 /nfs/dbraw/zinc/43/57/72/369435772.db2.gz LENOYIWQOXMQMO-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000459651976 203330709 /nfs/dbraw/zinc/33/07/09/203330709.db2.gz BFBJXJNRTMALDN-UONOGXRCSA-N 2 2 233.359 2.131 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459672724 203333784 /nfs/dbraw/zinc/33/37/84/203333784.db2.gz YBRLLBIYXNNFPY-KGLIPLIRSA-N 2 2 235.375 2.377 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631859295 369468620 /nfs/dbraw/zinc/46/86/20/369468620.db2.gz MGBKAOBZXXOZDV-TZMCWYRMSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631859295 369468626 /nfs/dbraw/zinc/46/86/26/369468626.db2.gz MGBKAOBZXXOZDV-TZMCWYRMSA-N 2 2 248.370 2.395 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631032210 370969898 /nfs/dbraw/zinc/96/98/98/370969898.db2.gz VWJKOMVCBQINQG-UHFFFAOYSA-N 2 2 243.301 2.061 20 0 BEADLP Fc1cccc(F)c1C[NH2+]CCC[NH+]1CCC1 ZINC000568236825 326331738 /nfs/dbraw/zinc/33/17/38/326331738.db2.gz VTZQNVQAJKYZAR-UHFFFAOYSA-N 2 2 240.297 2.150 20 0 BEADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000568239904 326332863 /nfs/dbraw/zinc/33/28/63/326332863.db2.gz VBUJUKGXVQIXJT-UHFFFAOYSA-N 2 2 218.344 2.177 20 0 BEADLP CC[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568643228 326370528 /nfs/dbraw/zinc/37/05/28/326370528.db2.gz GYIQORXWEVYPHF-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP CC[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568643228 326370529 /nfs/dbraw/zinc/37/05/29/326370529.db2.gz GYIQORXWEVYPHF-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)n1 ZINC000623987790 371220528 /nfs/dbraw/zinc/22/05/28/371220528.db2.gz OJQRCYPOKDHEAM-ONGXEEELSA-N 2 2 241.404 2.300 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101260 371306154 /nfs/dbraw/zinc/30/61/54/371306154.db2.gz VAASVWKEKPBWRM-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101260 371306160 /nfs/dbraw/zinc/30/61/60/371306160.db2.gz VAASVWKEKPBWRM-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000624101708 371308269 /nfs/dbraw/zinc/30/82/69/371308269.db2.gz WYEIWLSRMYLTKX-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000624101708 371308273 /nfs/dbraw/zinc/30/82/73/371308273.db2.gz WYEIWLSRMYLTKX-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624200342 371391986 /nfs/dbraw/zinc/39/19/86/371391986.db2.gz JQEWUBYEEVBQBF-XYTFPVCRSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624200342 371391990 /nfs/dbraw/zinc/39/19/90/371391990.db2.gz JQEWUBYEEVBQBF-XYTFPVCRSA-N 2 2 248.414 2.495 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188768 371377861 /nfs/dbraw/zinc/37/78/61/371377861.db2.gz BRSQIFMEAYGXPF-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188768 371377869 /nfs/dbraw/zinc/37/78/69/371377869.db2.gz BRSQIFMEAYGXPF-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189500 371378548 /nfs/dbraw/zinc/37/85/48/371378548.db2.gz OPQGLNDOSYRONE-YPMHNXCESA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@@H]1CCSC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189500 371378553 /nfs/dbraw/zinc/37/85/53/371378553.db2.gz OPQGLNDOSYRONE-YPMHNXCESA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189497 371378563 /nfs/dbraw/zinc/37/85/63/371378563.db2.gz OPQGLNDOSYRONE-AAEUAGOBSA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189497 371378564 /nfs/dbraw/zinc/37/85/64/371378564.db2.gz OPQGLNDOSYRONE-AAEUAGOBSA-N 2 2 240.416 2.098 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000624271827 371452893 /nfs/dbraw/zinc/45/28/93/371452893.db2.gz GGINZSNKYGYAPS-RQJABVFESA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000624271827 371452899 /nfs/dbraw/zinc/45/28/99/371452899.db2.gz GGINZSNKYGYAPS-RQJABVFESA-N 2 2 222.376 2.249 20 0 BEADLP CN(CC1C[NH+](C)C1)c1cc2ccccc2c[nH+]1 ZINC000631358179 372313056 /nfs/dbraw/zinc/31/30/56/372313056.db2.gz NLJLPTYOTKJUFB-UHFFFAOYSA-N 2 2 241.338 2.233 20 0 BEADLP Cc1cc(C)c(CN2CC[NH2+][C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000631824905 372603237 /nfs/dbraw/zinc/60/32/37/372603237.db2.gz UCIAFFCTAKOZCW-OCCSQVGLSA-N 2 2 247.386 2.189 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834325 372615901 /nfs/dbraw/zinc/61/59/01/372615901.db2.gz VBHAMWJUZCCCNC-OCCSQVGLSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834325 372615905 /nfs/dbraw/zinc/61/59/05/372615905.db2.gz VBHAMWJUZCCCNC-OCCSQVGLSA-N 2 2 233.359 2.346 20 0 BEADLP Cc1cc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)ccn1 ZINC000631835150 372620844 /nfs/dbraw/zinc/62/08/44/372620844.db2.gz NPUKSJPJJKKGBU-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1cc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)ccn1 ZINC000631835150 372620853 /nfs/dbraw/zinc/62/08/53/372620853.db2.gz NPUKSJPJJKKGBU-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631863216 372664548 /nfs/dbraw/zinc/66/45/48/372664548.db2.gz YGMOGIYRYRXAHA-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631863216 372664556 /nfs/dbraw/zinc/66/45/56/372664556.db2.gz YGMOGIYRYRXAHA-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000631862532 372665238 /nfs/dbraw/zinc/66/52/38/372665238.db2.gz QVVXZFNZBXVKRU-CMPLNLGQSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000631862532 372665240 /nfs/dbraw/zinc/66/52/40/372665240.db2.gz QVVXZFNZBXVKRU-CMPLNLGQSA-N 2 2 222.307 2.056 20 0 BEADLP COc1ccccc1CCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862602 372665412 /nfs/dbraw/zinc/66/54/12/372665412.db2.gz ROMRXHLSCYZXAP-GXTWGEPZSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1CCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631862602 372665416 /nfs/dbraw/zinc/66/54/16/372665416.db2.gz ROMRXHLSCYZXAP-GXTWGEPZSA-N 2 2 248.370 2.049 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000040502608 373361027 /nfs/dbraw/zinc/36/10/27/373361027.db2.gz YEFSXEAWKAQKDX-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C2(C)CC2)C1 ZINC000040502608 373361035 /nfs/dbraw/zinc/36/10/35/373361035.db2.gz YEFSXEAWKAQKDX-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672427 373588436 /nfs/dbraw/zinc/58/84/36/373588436.db2.gz LJBDHYKBJVSYSZ-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672427 373588440 /nfs/dbraw/zinc/58/84/40/373588440.db2.gz LJBDHYKBJVSYSZ-DZGCQCFKSA-N 2 2 232.371 2.474 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC000414938804 205791738 /nfs/dbraw/zinc/79/17/38/205791738.db2.gz DNMVEMMGTPBAAO-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP CC[C@@]1(C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459374415 206125482 /nfs/dbraw/zinc/12/54/82/206125482.db2.gz UNHHAKOHPIHYGL-ZDUSSCGKSA-N 2 2 221.348 2.085 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459374415 206125487 /nfs/dbraw/zinc/12/54/87/206125487.db2.gz UNHHAKOHPIHYGL-ZDUSSCGKSA-N 2 2 221.348 2.085 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000459651974 206135476 /nfs/dbraw/zinc/13/54/76/206135476.db2.gz BFBJXJNRTMALDN-KBPBESRZSA-N 2 2 233.359 2.131 20 0 BEADLP OCCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000077466835 183062613 /nfs/dbraw/zinc/06/26/13/183062613.db2.gz RBWVQLYPYDXANC-CQSZACIVSA-N 2 2 245.326 2.013 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000266205761 169079306 /nfs/dbraw/zinc/07/93/06/169079306.db2.gz KVDQCWAUWZRXEB-ZDUSSCGKSA-N 2 2 233.359 2.250 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000266205761 169079308 /nfs/dbraw/zinc/07/93/08/169079308.db2.gz KVDQCWAUWZRXEB-ZDUSSCGKSA-N 2 2 233.359 2.250 20 0 BEADLP CCC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267380168 169130325 /nfs/dbraw/zinc/13/03/25/169130325.db2.gz MLEBNMNQFKPARM-UHFFFAOYSA-N 2 2 244.342 2.499 20 0 BEADLP CCC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267380168 169130328 /nfs/dbraw/zinc/13/03/28/169130328.db2.gz MLEBNMNQFKPARM-UHFFFAOYSA-N 2 2 244.342 2.499 20 0 BEADLP CCC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000112738271 169175859 /nfs/dbraw/zinc/17/58/59/169175859.db2.gz DWEMHTIDPQXBMO-AWEZNQCLSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000112738271 169175861 /nfs/dbraw/zinc/17/58/61/169175861.db2.gz DWEMHTIDPQXBMO-AWEZNQCLSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182751207 169155940 /nfs/dbraw/zinc/15/59/40/169155940.db2.gz MQCSXUQEYLAVNX-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CCC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182751207 169155943 /nfs/dbraw/zinc/15/59/43/169155943.db2.gz MQCSXUQEYLAVNX-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CCC[N@H+](Cc1cscn1)C1CC[NH2+]CC1 ZINC000037653865 169182011 /nfs/dbraw/zinc/18/20/11/169182011.db2.gz IXLHTFVKGHSPCN-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP CCC[N@@H+](Cc1cscn1)C1CC[NH2+]CC1 ZINC000037653865 169182012 /nfs/dbraw/zinc/18/20/12/169182012.db2.gz IXLHTFVKGHSPCN-UHFFFAOYSA-N 2 2 239.388 2.107 20 0 BEADLP CCC[NH+]1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC000266187053 169187222 /nfs/dbraw/zinc/18/72/22/169187222.db2.gz BDKSROQPORPDIW-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP c1c[nH+]c([C@H]2CCCN2CC[NH+]2CCCCC2)[nH]1 ZINC000374878964 183327330 /nfs/dbraw/zinc/32/73/30/183327330.db2.gz QSVAYHOTEIUBQT-CYBMUJFWSA-N 2 2 248.374 2.033 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000353971149 169196288 /nfs/dbraw/zinc/19/62/88/169196288.db2.gz IJRHYADKCQAJFC-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000353971149 169196291 /nfs/dbraw/zinc/19/62/91/169196291.db2.gz IJRHYADKCQAJFC-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](COC)C(C)C ZINC000353995379 169197491 /nfs/dbraw/zinc/19/74/91/169197491.db2.gz IFFWAXYLORXVCU-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](COC)C(C)C ZINC000353995379 169197492 /nfs/dbraw/zinc/19/74/92/169197492.db2.gz IFFWAXYLORXVCU-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C2CC2)c1 ZINC000335391342 183345626 /nfs/dbraw/zinc/34/56/26/183345626.db2.gz QNMTXWDTSCOQTI-CVEARBPZSA-N 2 2 242.366 2.358 20 0 BEADLP c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C2CC2)c1 ZINC000335391342 183345628 /nfs/dbraw/zinc/34/56/28/183345628.db2.gz QNMTXWDTSCOQTI-CVEARBPZSA-N 2 2 242.366 2.358 20 0 BEADLP c1cc2cccc(C[NH2+]CC[NH+]3CCCC3)c2[nH]1 ZINC000134521650 183349515 /nfs/dbraw/zinc/34/95/15/183349515.db2.gz BNJONCZEYXQMSK-UHFFFAOYSA-N 2 2 243.354 2.353 20 0 BEADLP c1cn2c(cccc2C[NH2+][C@@H]2CCCSC2)[nH+]1 ZINC000270347281 183352140 /nfs/dbraw/zinc/35/21/40/183352140.db2.gz RKCOBHGSPBHNOZ-LLVKDONJSA-N 2 2 247.367 2.320 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(OCC)cc1 ZINC000228717188 169259678 /nfs/dbraw/zinc/25/96/78/169259678.db2.gz VRKZGEIOAUJRDM-UHFFFAOYSA-N 2 2 236.359 2.175 20 0 BEADLP c1cn(CC[NH2+]C2(c3ccccc3)CC2)c[nH+]1 ZINC000271874272 183389447 /nfs/dbraw/zinc/38/94/47/183389447.db2.gz XGINMENPGMJNQM-UHFFFAOYSA-N 2 2 227.311 2.162 20 0 BEADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000042545002 169319228 /nfs/dbraw/zinc/31/92/28/169319228.db2.gz JKPUORNWKGMVBK-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000042545002 169319230 /nfs/dbraw/zinc/31/92/30/169319230.db2.gz JKPUORNWKGMVBK-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCCOc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000041166556 169326967 /nfs/dbraw/zinc/32/69/67/169326967.db2.gz CCVKOLOSAKERJM-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CCCOc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000041166556 169326968 /nfs/dbraw/zinc/32/69/68/169326968.db2.gz CCVKOLOSAKERJM-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP c1cn(C2CC[NH+](C[C@@H]3CCCCO3)CC2)c[nH+]1 ZINC000111243152 183465073 /nfs/dbraw/zinc/46/50/73/183465073.db2.gz WXSFCLLYWIPRNW-AWEZNQCLSA-N 2 2 249.358 2.089 20 0 BEADLP CCC[C@@H](C)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000377624620 169358647 /nfs/dbraw/zinc/35/86/47/169358647.db2.gz LBUBHNHHDVDLBO-GFCCVEGCSA-N 2 2 210.365 2.203 20 0 BEADLP CCC[C@@H](C)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000377624620 169358650 /nfs/dbraw/zinc/35/86/50/169358650.db2.gz LBUBHNHHDVDLBO-GFCCVEGCSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[NH+](C)C ZINC000336736760 171049828 /nfs/dbraw/zinc/04/98/28/171049828.db2.gz PQGWOAKCYQDYBS-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000235189594 383825240 /nfs/dbraw/zinc/82/52/40/383825240.db2.gz ARICLCQGZDSLTI-MFKMUULPSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000070911505 383958497 /nfs/dbraw/zinc/95/84/97/383958497.db2.gz CBUKKPVMTFATTE-DTWKUNHWSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070911505 383958502 /nfs/dbraw/zinc/95/85/02/383958502.db2.gz CBUKKPVMTFATTE-DTWKUNHWSA-N 2 2 224.270 2.141 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000564634028 384013442 /nfs/dbraw/zinc/01/34/42/384013442.db2.gz WKUPFOFBPZQVRY-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000564634028 384013451 /nfs/dbraw/zinc/01/34/51/384013451.db2.gz WKUPFOFBPZQVRY-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1CC1 ZINC000090846966 384062149 /nfs/dbraw/zinc/06/21/49/384062149.db2.gz BEIAOFJZJIIENW-NSHDSACASA-N 2 2 204.317 2.321 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000163178619 384066903 /nfs/dbraw/zinc/06/69/03/384066903.db2.gz QQKRNXZNTYMRFW-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000163178619 384066909 /nfs/dbraw/zinc/06/69/09/384066909.db2.gz QQKRNXZNTYMRFW-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000163179221 384067643 /nfs/dbraw/zinc/06/76/43/384067643.db2.gz HOAMFVHGEWLZHW-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000163179221 384067646 /nfs/dbraw/zinc/06/76/46/384067646.db2.gz HOAMFVHGEWLZHW-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C(CF)CF ZINC000449378152 384076293 /nfs/dbraw/zinc/07/62/93/384076293.db2.gz CKYGKKPFAFYLGH-UHFFFAOYSA-N 2 2 228.286 2.220 20 0 BEADLP C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000647258042 384080298 /nfs/dbraw/zinc/08/02/98/384080298.db2.gz LHNSLGNDQBYMGY-JQWIXIFHSA-N 2 2 247.367 2.318 20 0 BEADLP C[C@H]1SCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000647258044 384080973 /nfs/dbraw/zinc/08/09/73/384080973.db2.gz LHNSLGNDQBYMGY-ZYHUDNBSSA-N 2 2 247.367 2.318 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000290402051 384098587 /nfs/dbraw/zinc/09/85/87/384098587.db2.gz SYVDJRVBMODTSI-RISCZKNCSA-N 2 2 218.344 2.386 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCSCC1 ZINC000187064992 384175064 /nfs/dbraw/zinc/17/50/64/384175064.db2.gz NLAAQEJJGCGQLY-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCSCC1 ZINC000187064992 384175070 /nfs/dbraw/zinc/17/50/70/384175070.db2.gz NLAAQEJJGCGQLY-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000041064043 384175857 /nfs/dbraw/zinc/17/58/57/384175857.db2.gz LWLXJPOJTQTDCB-NSHDSACASA-N 2 2 233.290 2.373 20 0 BEADLP CCc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063293 384176372 /nfs/dbraw/zinc/17/63/72/384176372.db2.gz ZLXXRTTUIIMINO-UHFFFAOYSA-N 2 2 229.327 2.235 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C2CCCCCC2)c1 ZINC000313267371 384182114 /nfs/dbraw/zinc/18/21/14/384182114.db2.gz STKMVNGIXUWIHV-UHFFFAOYSA-N 2 2 221.348 2.275 20 0 BEADLP Cn1cccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092659267 384188556 /nfs/dbraw/zinc/18/85/56/384188556.db2.gz HCYSMSYCSUKGGQ-UHFFFAOYSA-N 2 2 244.342 2.059 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccsc1 ZINC000050344527 384192981 /nfs/dbraw/zinc/19/29/81/384192981.db2.gz CKCJHXGQTIESFB-SNVBAGLBSA-N 2 2 221.329 2.295 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081623066 384197005 /nfs/dbraw/zinc/19/70/05/384197005.db2.gz LYEZNZHMHGQMAL-STQMWFEESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000235439309 384231449 /nfs/dbraw/zinc/23/14/49/384231449.db2.gz LHOMZMUDNSSCIY-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000235439309 384231455 /nfs/dbraw/zinc/23/14/55/384231455.db2.gz LHOMZMUDNSSCIY-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000235439098 384231470 /nfs/dbraw/zinc/23/14/70/384231470.db2.gz FIUMKYYWKOMCKO-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000235439098 384231476 /nfs/dbraw/zinc/23/14/76/384231476.db2.gz FIUMKYYWKOMCKO-ZDUSSCGKSA-N 2 2 240.297 2.136 20 0 BEADLP Cc1cc(C)cc(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000313296348 384237717 /nfs/dbraw/zinc/23/77/17/384237717.db2.gz KXMPDHWIBRYNGF-UHFFFAOYSA-N 2 2 243.354 2.369 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313295572 384238392 /nfs/dbraw/zinc/23/83/92/384238392.db2.gz KKAUCXNDHAWZTO-MBNYWOFBSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cncs1 ZINC000132383576 384228137 /nfs/dbraw/zinc/22/81/37/384228137.db2.gz HFIHJICWKUMGGX-VHSXEESVSA-N 2 2 236.344 2.079 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000313278986 384228495 /nfs/dbraw/zinc/22/84/95/384228495.db2.gz HIVPAMZKMMNQBG-NSHDSACASA-N 2 2 221.348 2.131 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000042544039 384230050 /nfs/dbraw/zinc/23/00/50/384230050.db2.gz BLRQMBGXUBPPLR-WCQYABFASA-N 2 2 204.317 2.041 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000042544039 384230056 /nfs/dbraw/zinc/23/00/56/384230056.db2.gz BLRQMBGXUBPPLR-WCQYABFASA-N 2 2 204.317 2.041 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644887 384254720 /nfs/dbraw/zinc/25/47/20/384254720.db2.gz MLQYUQGDLANSLB-IUODEOHRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644887 384254724 /nfs/dbraw/zinc/25/47/24/384254724.db2.gz MLQYUQGDLANSLB-IUODEOHRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644887 384254730 /nfs/dbraw/zinc/25/47/30/384254730.db2.gz MLQYUQGDLANSLB-IUODEOHRSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644887 384254734 /nfs/dbraw/zinc/25/47/34/384254734.db2.gz MLQYUQGDLANSLB-IUODEOHRSA-N 2 2 247.386 2.305 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000644166425 384257150 /nfs/dbraw/zinc/25/71/50/384257150.db2.gz CEEFGPSSGKBVSO-MCIONIFRSA-N 2 2 245.370 2.319 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000093692730 384263126 /nfs/dbraw/zinc/26/31/26/384263126.db2.gz YOWHUKCIHPGYGB-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000093692730 384263128 /nfs/dbraw/zinc/26/31/28/384263128.db2.gz YOWHUKCIHPGYGB-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP c1ccc2c(C[NH2+][C@@H]3CCC[NH2+]C3)ccnc2c1 ZINC000569572321 384267249 /nfs/dbraw/zinc/26/72/49/384267249.db2.gz CXNIPMPJVZZYJI-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)o2)C1 ZINC000093770147 384268924 /nfs/dbraw/zinc/26/89/24/384268924.db2.gz JLYSTUDFWRFKSW-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)o2)C1 ZINC000093770147 384268928 /nfs/dbraw/zinc/26/89/28/384268928.db2.gz JLYSTUDFWRFKSW-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000093770147 384268931 /nfs/dbraw/zinc/26/89/31/384268931.db2.gz JLYSTUDFWRFKSW-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000093770147 384268936 /nfs/dbraw/zinc/26/89/36/384268936.db2.gz JLYSTUDFWRFKSW-ZDUSSCGKSA-N 2 2 236.359 2.362 20 0 BEADLP CC(C)n1c[nH+]cc1C[NH+]1CCC2(CCO2)CC1 ZINC000644903270 384308957 /nfs/dbraw/zinc/30/89/57/384308957.db2.gz OLATURFNRWIEOB-UHFFFAOYSA-N 2 2 249.358 2.219 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000083055774 384279000 /nfs/dbraw/zinc/27/90/00/384279000.db2.gz OXDBKLQXAUZEOO-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)C1CC1 ZINC000083055774 384279004 /nfs/dbraw/zinc/27/90/04/384279004.db2.gz OXDBKLQXAUZEOO-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000083064908 384282154 /nfs/dbraw/zinc/28/21/54/384282154.db2.gz AGCISERRSLJHMD-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CC1 ZINC000083064908 384282159 /nfs/dbraw/zinc/28/21/59/384282159.db2.gz AGCISERRSLJHMD-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[NH+](C)C ZINC000300060344 384288293 /nfs/dbraw/zinc/28/82/93/384288293.db2.gz DUPUWMYQNDOULN-GRYCIOLGSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452056 384290150 /nfs/dbraw/zinc/29/01/50/384290150.db2.gz YBAOVLXDFOTWGT-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452056 384290156 /nfs/dbraw/zinc/29/01/56/384290156.db2.gz YBAOVLXDFOTWGT-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000119786694 384302066 /nfs/dbraw/zinc/30/20/66/384302066.db2.gz CHEMLOXIYSLORA-UHFFFAOYSA-N 2 2 215.300 2.015 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000119786694 384302071 /nfs/dbraw/zinc/30/20/71/384302071.db2.gz CHEMLOXIYSLORA-UHFFFAOYSA-N 2 2 215.300 2.015 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120410939 384352519 /nfs/dbraw/zinc/35/25/19/384352519.db2.gz AAFKHHWQKNURSX-VXGBXAGGSA-N 2 2 222.376 2.391 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120410939 384352527 /nfs/dbraw/zinc/35/25/27/384352527.db2.gz AAFKHHWQKNURSX-VXGBXAGGSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](CCC1CCCC1)[NH2+]CC[NH+](C)C ZINC000308892734 384409299 /nfs/dbraw/zinc/40/92/99/384409299.db2.gz YHHWZFWPBSAFMX-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000335644277 384416369 /nfs/dbraw/zinc/41/63/69/384416369.db2.gz SQIYEUGDRZQFFE-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1F ZINC000335641550 384416576 /nfs/dbraw/zinc/41/65/76/384416576.db2.gz AYKJBPIMNAIPKB-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP [NH3+]C[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000084213451 384376644 /nfs/dbraw/zinc/37/66/44/384376644.db2.gz SWILFNYZLYLOQU-WDEREUQCSA-N 2 2 205.305 2.011 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC000335607851 384386476 /nfs/dbraw/zinc/38/64/76/384386476.db2.gz TXWWJRCUIPSLRA-JOYOIKCWSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000335607851 384386481 /nfs/dbraw/zinc/38/64/81/384386481.db2.gz TXWWJRCUIPSLRA-JOYOIKCWSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](CO)C2)c[nH+]1 ZINC000449429475 384388445 /nfs/dbraw/zinc/38/84/45/384388445.db2.gz UMVMTZAVWZFYQZ-CABCVRRESA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000223200049 384447543 /nfs/dbraw/zinc/44/75/43/384447543.db2.gz KJOZPBRTQWOSKY-RYUDHWBXSA-N 2 2 238.350 2.296 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000309160280 384434021 /nfs/dbraw/zinc/43/40/21/384434021.db2.gz YSQVUDFCPYJTPS-SNVBAGLBSA-N 2 2 208.349 2.001 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000309160280 384434028 /nfs/dbraw/zinc/43/40/28/384434028.db2.gz YSQVUDFCPYJTPS-SNVBAGLBSA-N 2 2 208.349 2.001 20 0 BEADLP CCSCC[NH2+]CCCNc1cccc[nH+]1 ZINC000276331086 384442112 /nfs/dbraw/zinc/44/21/12/384442112.db2.gz XVHPFZWNOXSQBJ-UHFFFAOYSA-N 2 2 239.388 2.226 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000385210774 384463620 /nfs/dbraw/zinc/46/36/20/384463620.db2.gz WYLUDMKZAUIRGN-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1C ZINC000385210774 384463624 /nfs/dbraw/zinc/46/36/24/384463624.db2.gz WYLUDMKZAUIRGN-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1C ZINC000385210779 384464532 /nfs/dbraw/zinc/46/45/32/384464532.db2.gz WYLUDMKZAUIRGN-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1C ZINC000385210779 384464535 /nfs/dbraw/zinc/46/45/35/384464535.db2.gz WYLUDMKZAUIRGN-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000385210777 384465570 /nfs/dbraw/zinc/46/55/70/384465570.db2.gz WYLUDMKZAUIRGN-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000385210777 384465575 /nfs/dbraw/zinc/46/55/75/384465575.db2.gz WYLUDMKZAUIRGN-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cscn1 ZINC000161128368 384465758 /nfs/dbraw/zinc/46/57/58/384465758.db2.gz DNGNPXNMSOXQSK-JTQLQIEISA-N 2 2 241.404 2.382 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000224593877 384470054 /nfs/dbraw/zinc/47/00/54/384470054.db2.gz YIGLXOFCHRWTIB-NEPJUHHUSA-N 2 2 209.337 2.440 20 0 BEADLP C[N@H+](CC[NH2+]Cc1cc[nH]c1)Cc1ccccc1 ZINC000175700728 384480123 /nfs/dbraw/zinc/48/01/23/384480123.db2.gz OMYJYRNUUBARRQ-UHFFFAOYSA-N 2 2 243.354 2.236 20 0 BEADLP C[N@@H+](CC[NH2+]Cc1cc[nH]c1)Cc1ccccc1 ZINC000175700728 384480130 /nfs/dbraw/zinc/48/01/30/384480130.db2.gz OMYJYRNUUBARRQ-UHFFFAOYSA-N 2 2 243.354 2.236 20 0 BEADLP C[C@H]1C[C@H]1c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)o1 ZINC000565593377 384484850 /nfs/dbraw/zinc/48/48/50/384484850.db2.gz SVJZVHNOEXATNY-WVWOOGAGSA-N 2 2 248.370 2.491 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312749710 384458646 /nfs/dbraw/zinc/45/86/46/384458646.db2.gz UKVXNXQNDJCPJT-SECBINFHSA-N 2 2 232.780 2.474 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335039991 384505727 /nfs/dbraw/zinc/50/57/27/384505727.db2.gz FXZKOBOQUHWUGQ-OCCSQVGLSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccco1 ZINC000037249046 384489661 /nfs/dbraw/zinc/48/96/61/384489661.db2.gz OLHAJSKZKWYUKL-JTQLQIEISA-N 2 2 208.305 2.024 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000122797284 384511304 /nfs/dbraw/zinc/51/13/04/384511304.db2.gz RJIPJPBNEYQZSW-HIFRSBDPSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@H+]1C1CC1 ZINC000122797284 384511306 /nfs/dbraw/zinc/51/13/06/384511306.db2.gz RJIPJPBNEYQZSW-HIFRSBDPSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1cc2ccccc2o1 ZINC000037712575 384513001 /nfs/dbraw/zinc/51/30/01/384513001.db2.gz LBYZUFFQFQWJMI-SECBINFHSA-N 2 2 204.273 2.042 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CO1 ZINC000647178706 384518247 /nfs/dbraw/zinc/51/82/47/384518247.db2.gz DNRCCGARHUYPAW-QWHCGFSZSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1C1CC1)[NH+](C)C ZINC000449554138 384525387 /nfs/dbraw/zinc/52/53/87/384525387.db2.gz ASONWXPUFZIHRQ-FPMFFAJLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[NH+](C)C ZINC000449557424 384525907 /nfs/dbraw/zinc/52/59/07/384525907.db2.gz RCRBOPIFACWVOL-DRZSPHRISA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)C1 ZINC000449558381 384530976 /nfs/dbraw/zinc/53/09/76/384530976.db2.gz XHELHFQEAFUAFX-ZOBORPQBSA-N 2 2 224.392 2.208 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)C1 ZINC000449558381 384530981 /nfs/dbraw/zinc/53/09/81/384530981.db2.gz XHELHFQEAFUAFX-ZOBORPQBSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1(C)CC1 ZINC000049574761 384550876 /nfs/dbraw/zinc/55/08/76/384550876.db2.gz QXEMMDPSZGABOM-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP c1ccc2[nH+]c(NCC[NH+]3CCCC3)[nH]c2c1 ZINC000049633294 384552303 /nfs/dbraw/zinc/55/23/03/384552303.db2.gz GLZCUTQPYIWJSJ-UHFFFAOYSA-N 2 2 230.315 2.071 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000309714854 384557520 /nfs/dbraw/zinc/55/75/20/384557520.db2.gz SKJPEHSJWFLPKS-XQHKEYJVSA-N 2 2 242.432 2.200 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000309714854 384557528 /nfs/dbraw/zinc/55/75/28/384557528.db2.gz SKJPEHSJWFLPKS-XQHKEYJVSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCC3)CCC[N@@H+]1C ZINC000309734821 384572844 /nfs/dbraw/zinc/57/28/44/384572844.db2.gz CAXBOHYDFRGVCP-FRRDWIJNSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCC3)CCC[N@H+]1C ZINC000309734821 384572847 /nfs/dbraw/zinc/57/28/47/384572847.db2.gz CAXBOHYDFRGVCP-FRRDWIJNSA-N 2 2 222.376 2.391 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643069234 384576429 /nfs/dbraw/zinc/57/64/29/384576429.db2.gz PXSOSSFGRXLPNX-CVEARBPZSA-N 2 2 244.382 2.303 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643069234 384576432 /nfs/dbraw/zinc/57/64/32/384576432.db2.gz PXSOSSFGRXLPNX-CVEARBPZSA-N 2 2 244.382 2.303 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065411 384577269 /nfs/dbraw/zinc/57/72/69/384577269.db2.gz BAZLODBENHYSGT-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065411 384577273 /nfs/dbraw/zinc/57/72/73/384577273.db2.gz BAZLODBENHYSGT-JKSUJKDBSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066951 384578801 /nfs/dbraw/zinc/57/88/01/384578801.db2.gz VWJIKJZSBMJYAQ-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066951 384578805 /nfs/dbraw/zinc/57/88/05/384578805.db2.gz VWJIKJZSBMJYAQ-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643071181 384590778 /nfs/dbraw/zinc/59/07/78/384590778.db2.gz ZLKLTKVNLNWZEZ-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643071181 384590786 /nfs/dbraw/zinc/59/07/86/384590786.db2.gz ZLKLTKVNLNWZEZ-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066097 384581123 /nfs/dbraw/zinc/58/11/23/384581123.db2.gz KEOAVPXVJWNTDZ-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066097 384581127 /nfs/dbraw/zinc/58/11/27/384581127.db2.gz KEOAVPXVJWNTDZ-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000272899165 384582610 /nfs/dbraw/zinc/58/26/10/384582610.db2.gz PBFDOHJGQMIBRP-CYBMUJFWSA-N 2 2 248.374 2.242 20 0 BEADLP CCc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000272899165 384582621 /nfs/dbraw/zinc/58/26/21/384582621.db2.gz PBFDOHJGQMIBRP-CYBMUJFWSA-N 2 2 248.374 2.242 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1 ZINC000020506280 384618713 /nfs/dbraw/zinc/61/87/13/384618713.db2.gz NAOFOTYLRMRJAW-GFCCVEGCSA-N 2 2 230.315 2.019 20 0 BEADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC000020523971 384620347 /nfs/dbraw/zinc/62/03/47/384620347.db2.gz BSJZOGMIXSCSSV-FUDCBSFHSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC000020523971 384620350 /nfs/dbraw/zinc/62/03/50/384620350.db2.gz BSJZOGMIXSCSSV-FUDCBSFHSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccncc1 ZINC000020506281 384620364 /nfs/dbraw/zinc/62/03/64/384620364.db2.gz NAOFOTYLRMRJAW-LBPRGKRZSA-N 2 2 230.315 2.019 20 0 BEADLP CC(C)CCC[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000336653650 384631493 /nfs/dbraw/zinc/63/14/93/384631493.db2.gz GFSKZFSUCLHYEA-CYBMUJFWSA-N 2 2 244.448 2.450 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643069776 384591231 /nfs/dbraw/zinc/59/12/31/384591231.db2.gz XTZKMUJFVDUAIO-UKRRQHHQSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643069776 384591241 /nfs/dbraw/zinc/59/12/41/384591241.db2.gz XTZKMUJFVDUAIO-UKRRQHHQSA-N 2 2 230.355 2.179 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449456693 384665911 /nfs/dbraw/zinc/66/59/11/384665911.db2.gz MXYDTKMHEQYNNJ-YBLMTZRHSA-N 2 2 208.349 2.025 20 0 BEADLP CC/C=C\C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449456693 384665918 /nfs/dbraw/zinc/66/59/18/384665918.db2.gz MXYDTKMHEQYNNJ-YBLMTZRHSA-N 2 2 208.349 2.025 20 0 BEADLP Clc1csc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000086332573 384634813 /nfs/dbraw/zinc/63/48/13/384634813.db2.gz RKUIWFIQPPQXJF-UHFFFAOYSA-N 2 2 241.747 2.388 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000647532813 384639806 /nfs/dbraw/zinc/63/98/06/384639806.db2.gz DWDDWQCHYNKQNB-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000647532813 384639810 /nfs/dbraw/zinc/63/98/10/384639810.db2.gz DWDDWQCHYNKQNB-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000647533573 384643944 /nfs/dbraw/zinc/64/39/44/384643944.db2.gz UVROYELCOVSQMM-DGCLKSJQSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)s1 ZINC000647533573 384643948 /nfs/dbraw/zinc/64/39/48/384643948.db2.gz UVROYELCOVSQMM-DGCLKSJQSA-N 2 2 236.384 2.240 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)C[C@H]1[NH3+] ZINC000647539264 384675531 /nfs/dbraw/zinc/67/55/31/384675531.db2.gz LOWREDAYUWZQJJ-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)C[C@H]1[NH3+] ZINC000647539264 384675534 /nfs/dbraw/zinc/67/55/34/384675534.db2.gz LOWREDAYUWZQJJ-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP C[N@H+](Cc1cccs1)C1(C[NH3+])CCC1 ZINC000086474967 384652866 /nfs/dbraw/zinc/65/28/66/384652866.db2.gz VDYHECGQEYQWOC-UHFFFAOYSA-N 2 2 210.346 2.061 20 0 BEADLP C[N@@H+](Cc1cccs1)C1(C[NH3+])CCC1 ZINC000086474967 384652873 /nfs/dbraw/zinc/65/28/73/384652873.db2.gz VDYHECGQEYQWOC-UHFFFAOYSA-N 2 2 210.346 2.061 20 0 BEADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccnc1 ZINC000184868396 384660267 /nfs/dbraw/zinc/66/02/67/384660267.db2.gz HOTWVRRJCIRYNR-CQSZACIVSA-N 2 2 244.342 2.409 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CC1CCCCC1 ZINC000647539676 384679869 /nfs/dbraw/zinc/67/98/69/384679869.db2.gz ANJILUAWZLTTTA-STQMWFEESA-N 2 2 228.355 2.199 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CC1CCCCC1 ZINC000647539676 384679875 /nfs/dbraw/zinc/67/98/75/384679875.db2.gz ANJILUAWZLTTTA-STQMWFEESA-N 2 2 228.355 2.199 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000309978712 384682784 /nfs/dbraw/zinc/68/27/84/384682784.db2.gz VCJJUOPJEOBHRY-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000309978712 384682788 /nfs/dbraw/zinc/68/27/88/384682788.db2.gz VCJJUOPJEOBHRY-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000309874514 384685075 /nfs/dbraw/zinc/68/50/75/384685075.db2.gz SATHSLJITAMHNF-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000309874514 384685079 /nfs/dbraw/zinc/68/50/79/384685079.db2.gz SATHSLJITAMHNF-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(F)(F)CC1 ZINC000647282837 384701838 /nfs/dbraw/zinc/70/18/38/384701838.db2.gz WSELANCHMNPOGH-SNVBAGLBSA-N 2 2 243.301 2.439 20 0 BEADLP Cc1cnc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000125259268 384706907 /nfs/dbraw/zinc/70/69/07/384706907.db2.gz BVWJWIIIBGAZBO-SNVBAGLBSA-N 2 2 239.388 2.196 20 0 BEADLP CC[C@H](C[NH2+][C@@H](COC)C(C)C)[NH+]1CCCC1 ZINC000151703887 384715343 /nfs/dbraw/zinc/71/53/43/384715343.db2.gz MOIBRLXZROEETP-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000309937495 384733419 /nfs/dbraw/zinc/73/34/19/384733419.db2.gz AJTMUYHSJUSCKZ-RYUDHWBXSA-N 2 2 221.348 2.366 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000568274877 384741494 /nfs/dbraw/zinc/74/14/94/384741494.db2.gz INXDISANLULUEP-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000568274877 384741497 /nfs/dbraw/zinc/74/14/97/384741497.db2.gz INXDISANLULUEP-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000568274884 384741663 /nfs/dbraw/zinc/74/16/63/384741663.db2.gz INXDISANLULUEP-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000568274884 384741667 /nfs/dbraw/zinc/74/16/67/384741667.db2.gz INXDISANLULUEP-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553888 384768320 /nfs/dbraw/zinc/76/83/20/384768320.db2.gz MECKYWHSPFXPTG-CQSZACIVSA-N 2 2 246.354 2.157 20 0 BEADLP c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554320 384771917 /nfs/dbraw/zinc/77/19/17/384771917.db2.gz WRLKTMZYGGGVLV-AWEZNQCLSA-N 2 2 230.355 2.451 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000054110412 384821025 /nfs/dbraw/zinc/82/10/25/384821025.db2.gz UGTAHDMNLNYTEL-OAHLLOKOSA-N 2 2 232.371 2.085 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000054110412 384821029 /nfs/dbraw/zinc/82/10/29/384821029.db2.gz UGTAHDMNLNYTEL-OAHLLOKOSA-N 2 2 232.371 2.085 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000054110214 384821327 /nfs/dbraw/zinc/82/13/27/384821327.db2.gz WECDZRYQLYVCSQ-GFCCVEGCSA-N 2 2 224.348 2.142 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000054110214 384821329 /nfs/dbraw/zinc/82/13/29/384821329.db2.gz WECDZRYQLYVCSQ-GFCCVEGCSA-N 2 2 224.348 2.142 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000301002418 384825040 /nfs/dbraw/zinc/82/50/40/384825040.db2.gz XHENZBQNHXUTOS-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000301002418 384825044 /nfs/dbraw/zinc/82/50/44/384825044.db2.gz XHENZBQNHXUTOS-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nc1C ZINC000314149334 384830656 /nfs/dbraw/zinc/83/06/56/384830656.db2.gz KSOJBPBDTBWESB-JSGCOSHPSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1C ZINC000314149334 384830663 /nfs/dbraw/zinc/83/06/63/384830663.db2.gz KSOJBPBDTBWESB-JSGCOSHPSA-N 2 2 247.386 2.271 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CS1 ZINC000277288752 384781511 /nfs/dbraw/zinc/78/15/11/384781511.db2.gz RAQHADHIWTZBGL-NWDGAFQWSA-N 2 2 239.388 2.003 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCOC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186327256 384836404 /nfs/dbraw/zinc/83/64/04/384836404.db2.gz ZPAJOVRMDCUSJS-CFVMTHIKSA-N 2 2 248.370 2.056 20 0 BEADLP Cc1ccoc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000126735189 384798435 /nfs/dbraw/zinc/79/84/35/384798435.db2.gz HYYBURQSTDRVFH-LLVKDONJSA-N 2 2 210.321 2.018 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000126734963 384798746 /nfs/dbraw/zinc/79/87/46/384798746.db2.gz HYYBURQSTDRVFH-NSHDSACASA-N 2 2 210.321 2.018 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000310041307 384809312 /nfs/dbraw/zinc/80/93/12/384809312.db2.gz YMFXFPJUGDICHE-MNOVXSKESA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000310041307 384809318 /nfs/dbraw/zinc/80/93/18/384809318.db2.gz YMFXFPJUGDICHE-MNOVXSKESA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H](C[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC000084547928 384880936 /nfs/dbraw/zinc/88/09/36/384880936.db2.gz PTXPIIGOJMDTNN-UTSBKAFOSA-N 2 2 218.344 2.240 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403639456 384847345 /nfs/dbraw/zinc/84/73/45/384847345.db2.gz HDJWNCXIRFIUDA-FRRDWIJNSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127006154 384853313 /nfs/dbraw/zinc/85/33/13/384853313.db2.gz BRUKTBUCYFGOLY-NEPJUHHUSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127006154 384853320 /nfs/dbraw/zinc/85/33/20/384853320.db2.gz BRUKTBUCYFGOLY-NEPJUHHUSA-N 2 2 222.332 2.160 20 0 BEADLP C([N@@H+]1CCC[C@H]1C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000634992544 384897931 /nfs/dbraw/zinc/89/79/31/384897931.db2.gz SQRNKJGXCGOBBS-BLZCZZARSA-N 2 2 234.387 2.393 20 0 BEADLP C([N@H+]1CCC[C@H]1C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000634992544 384897937 /nfs/dbraw/zinc/89/79/37/384897937.db2.gz SQRNKJGXCGOBBS-BLZCZZARSA-N 2 2 234.387 2.393 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])nc1 ZINC000156597964 384902965 /nfs/dbraw/zinc/90/29/65/384902965.db2.gz DHAJBYAICGADGF-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])nc1 ZINC000156597964 384902973 /nfs/dbraw/zinc/90/29/73/384902973.db2.gz DHAJBYAICGADGF-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccoc1 ZINC000087289679 384932420 /nfs/dbraw/zinc/93/24/20/384932420.db2.gz YHKBCOKJJKXHMB-LLVKDONJSA-N 2 2 219.288 2.217 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000258755246 384941441 /nfs/dbraw/zinc/94/14/41/384941441.db2.gz AIUPONOYSCNGBU-ZIAGYGMSSA-N 2 2 248.370 2.363 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000127749659 384942356 /nfs/dbraw/zinc/94/23/56/384942356.db2.gz IDBCMFNOHYPXPG-BFHYXJOUSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000127749659 384942364 /nfs/dbraw/zinc/94/23/64/384942364.db2.gz IDBCMFNOHYPXPG-BFHYXJOUSA-N 2 2 245.370 2.359 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358325538 384968497 /nfs/dbraw/zinc/96/84/97/384968497.db2.gz FFAITCFLAZXGEJ-IUODEOHRSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358325538 384968504 /nfs/dbraw/zinc/96/85/04/384968504.db2.gz FFAITCFLAZXGEJ-IUODEOHRSA-N 2 2 248.370 2.043 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000094279427 384984316 /nfs/dbraw/zinc/98/43/16/384984316.db2.gz JNLLXSDYAXECEF-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000094279427 384984321 /nfs/dbraw/zinc/98/43/21/384984321.db2.gz JNLLXSDYAXECEF-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H](C)C[NH+](C)C ZINC000300924694 385060288 /nfs/dbraw/zinc/06/02/88/385060288.db2.gz NEBCIIYKONLYLI-NWDGAFQWSA-N 2 2 200.370 2.208 20 0 BEADLP CCC1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000336665030 385063595 /nfs/dbraw/zinc/06/35/95/385063595.db2.gz DYHWMXODDLTLPM-ABXWRUBCSA-N 2 2 224.392 2.495 20 0 BEADLP CCC1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000336665030 385063601 /nfs/dbraw/zinc/06/36/01/385063601.db2.gz DYHWMXODDLTLPM-ABXWRUBCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CC1(C)C ZINC000397617012 385067124 /nfs/dbraw/zinc/06/71/24/385067124.db2.gz CTOIFJDLKFIHDY-QWHCGFSZSA-N 2 2 235.375 2.377 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131126233 385069000 /nfs/dbraw/zinc/06/90/00/385069000.db2.gz QJJXHGQCOREGDN-MFKMUULPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131126233 385069011 /nfs/dbraw/zinc/06/90/11/385069011.db2.gz QJJXHGQCOREGDN-MFKMUULPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000310020277 385041345 /nfs/dbraw/zinc/04/13/45/385041345.db2.gz MYDJIIALCHDKRS-MNOVXSKESA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000310020277 385041347 /nfs/dbraw/zinc/04/13/47/385041347.db2.gz MYDJIIALCHDKRS-MNOVXSKESA-N 2 2 221.348 2.291 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cncc(F)c1 ZINC000151147553 385088673 /nfs/dbraw/zinc/08/86/73/385088673.db2.gz PWEGSRZHENQJKK-NSHDSACASA-N 2 2 248.305 2.158 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000449735989 385092300 /nfs/dbraw/zinc/09/23/00/385092300.db2.gz UCHUARPPQPFRLU-DOMZBBRYSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000449735989 385092302 /nfs/dbraw/zinc/09/23/02/385092302.db2.gz UCHUARPPQPFRLU-DOMZBBRYSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000164638081 385194324 /nfs/dbraw/zinc/19/43/24/385194324.db2.gz VOJNGOVLOGTOQE-RYUDHWBXSA-N 2 2 219.332 2.333 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227667524 385195121 /nfs/dbraw/zinc/19/51/21/385195121.db2.gz QITVFMDUZHPKDR-TZMCWYRMSA-N 2 2 218.344 2.084 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227667524 385195126 /nfs/dbraw/zinc/19/51/26/385195126.db2.gz QITVFMDUZHPKDR-TZMCWYRMSA-N 2 2 218.344 2.084 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CSC[C@@H]1C)[NH+](C)C ZINC000304501840 385144095 /nfs/dbraw/zinc/14/40/95/385144095.db2.gz NHQGNHNRWSLNMZ-XQQFMLRXSA-N 2 2 244.448 2.304 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000308834858 385200611 /nfs/dbraw/zinc/20/06/11/385200611.db2.gz KVDGQNDLWYNOTC-LBPRGKRZSA-N 2 2 208.349 2.005 20 0 BEADLP CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257462 385210270 /nfs/dbraw/zinc/21/02/70/385210270.db2.gz ZGCJCQAFULKDKO-UHFFFAOYSA-N 2 2 247.386 2.040 20 0 BEADLP CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257462 385210275 /nfs/dbraw/zinc/21/02/75/385210275.db2.gz ZGCJCQAFULKDKO-UHFFFAOYSA-N 2 2 247.386 2.040 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C)C[NH+](C)C ZINC000130068515 385214044 /nfs/dbraw/zinc/21/40/44/385214044.db2.gz SZNLZIPWMPWINL-NEPJUHHUSA-N 2 2 224.348 2.140 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000019843369 385255374 /nfs/dbraw/zinc/25/53/74/385255374.db2.gz LEGVRSGXLXKXLI-ZDUSSCGKSA-N 2 2 222.307 2.139 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000019843369 385255381 /nfs/dbraw/zinc/25/53/81/385255381.db2.gz LEGVRSGXLXKXLI-ZDUSSCGKSA-N 2 2 222.307 2.139 20 0 BEADLP CCc1ccc(C[NH2+]CC[NH+]2CCCC2)s1 ZINC000051717253 385260746 /nfs/dbraw/zinc/26/07/46/385260746.db2.gz FTDDVTGBOYWVFP-UHFFFAOYSA-N 2 2 238.400 2.496 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)C1CC1 ZINC000308906313 385281966 /nfs/dbraw/zinc/28/19/66/385281966.db2.gz CPILBGKZQPPKCM-KGYLQXTDSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)C1CC1 ZINC000308906313 385281976 /nfs/dbraw/zinc/28/19/76/385281976.db2.gz CPILBGKZQPPKCM-KGYLQXTDSA-N 2 2 210.365 2.247 20 0 BEADLP C[N@H+](Cc1cccc2cnccc21)[C@H]1CC[NH2+]C1 ZINC000647495098 385361647 /nfs/dbraw/zinc/36/16/47/385361647.db2.gz VSPDZQQIXMOXKY-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1cccc2cnccc21)[C@H]1CC[NH2+]C1 ZINC000647495098 385361651 /nfs/dbraw/zinc/36/16/51/385361651.db2.gz VSPDZQQIXMOXKY-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+](Cc1cccc2cnccc21)[C@@H]1CC[NH2+]C1 ZINC000647495099 385362900 /nfs/dbraw/zinc/36/29/00/385362900.db2.gz VSPDZQQIXMOXKY-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1cccc2cnccc21)[C@@H]1CC[NH2+]C1 ZINC000647495099 385362905 /nfs/dbraw/zinc/36/29/05/385362905.db2.gz VSPDZQQIXMOXKY-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000131926029 385369727 /nfs/dbraw/zinc/36/97/27/385369727.db2.gz XWBIGEKAHUASBL-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000309027164 385377149 /nfs/dbraw/zinc/37/71/49/385377149.db2.gz BIRMISIIVLBSOQ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000309027164 385377153 /nfs/dbraw/zinc/37/71/53/385377153.db2.gz BIRMISIIVLBSOQ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000309033245 385380991 /nfs/dbraw/zinc/38/09/91/385380991.db2.gz GJIKJTPLVXWBOM-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000309033245 385380992 /nfs/dbraw/zinc/38/09/92/385380992.db2.gz GJIKJTPLVXWBOM-LBPRGKRZSA-N 2 2 230.421 2.204 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309048471 385382349 /nfs/dbraw/zinc/38/23/49/385382349.db2.gz POSPMTYJSSDDGF-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CCSCCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309048471 385382352 /nfs/dbraw/zinc/38/23/52/385382352.db2.gz POSPMTYJSSDDGF-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc2cnccc2c1 ZINC000647496148 385384238 /nfs/dbraw/zinc/38/42/38/385384238.db2.gz WYEWXRNMBAQNRM-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000647496148 385384244 /nfs/dbraw/zinc/38/42/44/385384244.db2.gz WYEWXRNMBAQNRM-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC(C)(C)C2)CCC1 ZINC000309042889 385387847 /nfs/dbraw/zinc/38/78/47/385387847.db2.gz MGOITJNIJUOXOP-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cncc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000299986638 385388296 /nfs/dbraw/zinc/38/82/96/385388296.db2.gz MWQOJMWIOVRHIR-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cncc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000299986638 385388298 /nfs/dbraw/zinc/38/82/98/385388298.db2.gz MWQOJMWIOVRHIR-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CCCCC2)CCC[N@@H+]1C ZINC000309119401 385424841 /nfs/dbraw/zinc/42/48/41/385424841.db2.gz MZHYULCFAWQYIG-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CCCCC2)CCC[N@H+]1C ZINC000309119401 385424843 /nfs/dbraw/zinc/42/48/43/385424843.db2.gz MZHYULCFAWQYIG-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155678693 385404431 /nfs/dbraw/zinc/40/44/31/385404431.db2.gz WAGKWOUINUJUMC-IUODEOHRSA-N 2 2 241.338 2.406 20 0 BEADLP C[C@@H](CSC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000155689327 385405908 /nfs/dbraw/zinc/40/59/08/385405908.db2.gz XUKMZQLTTLGHSW-NSHDSACASA-N 2 2 241.404 2.393 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309074217 385406136 /nfs/dbraw/zinc/40/61/36/385406136.db2.gz IMGDYOUBFGGBFM-NWDGAFQWSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309074217 385406144 /nfs/dbraw/zinc/40/61/44/385406144.db2.gz IMGDYOUBFGGBFM-NWDGAFQWSA-N 2 2 212.381 2.208 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCC1 ZINC000309095193 385407574 /nfs/dbraw/zinc/40/75/74/385407574.db2.gz DQNYZWYGSCSULJ-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCC1 ZINC000309095193 385407576 /nfs/dbraw/zinc/40/75/76/385407576.db2.gz DQNYZWYGSCSULJ-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)n1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)cn1 ZINC000155738960 385410816 /nfs/dbraw/zinc/41/08/16/385410816.db2.gz XABWCRVYCPQKJL-LBPRGKRZSA-N 2 2 247.346 2.011 20 0 BEADLP Cc1ccc(CCC[NH2+]C2CCC2)c[nH+]1 ZINC000309164723 385444982 /nfs/dbraw/zinc/44/49/82/385444982.db2.gz ILRGNIBGHVZULW-UHFFFAOYSA-N 2 2 204.317 2.465 20 0 BEADLP CCC1CC([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000309164753 385445514 /nfs/dbraw/zinc/44/55/14/385445514.db2.gz IMRIUUNDPQVESA-VOMCLLRMSA-N 2 2 210.365 2.247 20 0 BEADLP CCC1CC([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC000309164753 385445516 /nfs/dbraw/zinc/44/55/16/385445516.db2.gz IMRIUUNDPQVESA-VOMCLLRMSA-N 2 2 210.365 2.247 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309167308 385446391 /nfs/dbraw/zinc/44/63/91/385446391.db2.gz JPWUYDUAIQWUBC-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309167308 385446393 /nfs/dbraw/zinc/44/63/93/385446393.db2.gz JPWUYDUAIQWUBC-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)c1ccc(CC[N@H+](C)CC[NH3+])cc1 ZINC000077331447 385450893 /nfs/dbraw/zinc/45/08/93/385450893.db2.gz FYZVACZMUNOUMW-UHFFFAOYSA-N 2 2 220.360 2.243 20 0 BEADLP CC(C)c1ccc(CC[N@@H+](C)CC[NH3+])cc1 ZINC000077331447 385450895 /nfs/dbraw/zinc/45/08/95/385450895.db2.gz FYZVACZMUNOUMW-UHFFFAOYSA-N 2 2 220.360 2.243 20 0 BEADLP Cc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000157035185 385482700 /nfs/dbraw/zinc/48/27/00/385482700.db2.gz MRVMFQIXTSOBHW-CYBMUJFWSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000157035185 385482705 /nfs/dbraw/zinc/48/27/05/385482705.db2.gz MRVMFQIXTSOBHW-CYBMUJFWSA-N 2 2 231.343 2.065 20 0 BEADLP Cc1nc(N2CCCC[C@H]2CC[NH3+])c(C)c(C)[nH+]1 ZINC000257664491 385484373 /nfs/dbraw/zinc/48/43/73/385484373.db2.gz CLSSJRCGWVJVSP-ZDUSSCGKSA-N 2 2 248.374 2.110 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313259632 385459072 /nfs/dbraw/zinc/45/90/72/385459072.db2.gz FGGZZRFIUMOCFB-AAEUAGOBSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](C)[NH+](C)C ZINC000157365366 385498480 /nfs/dbraw/zinc/49/84/80/385498480.db2.gz JIFGOYOUGFHMOU-NEPJUHHUSA-N 2 2 238.350 2.296 20 0 BEADLP CC(C)CCC[N@@H+]1CC[NH+]2CCC1CC2 ZINC000367691058 385490412 /nfs/dbraw/zinc/49/04/12/385490412.db2.gz ZVAGKQQJMVOGHI-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CCC[N@H+]1CC[NH+]2CCC1CC2 ZINC000367691058 385490417 /nfs/dbraw/zinc/49/04/17/385490417.db2.gz ZVAGKQQJMVOGHI-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)on1 ZINC000171942922 385535441 /nfs/dbraw/zinc/53/54/41/385535441.db2.gz GQMUDUNESKTXIX-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@]2(C)CCO[C@@H]2C)c[nH+]1 ZINC000354630722 385602868 /nfs/dbraw/zinc/60/28/68/385602868.db2.gz DCMODQSFXWCAIW-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1CC1(C)C)C1CC1 ZINC000309440450 385583170 /nfs/dbraw/zinc/58/31/70/385583170.db2.gz IIPKEQJIWCCEPD-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1CC1(C)C)C1CC1 ZINC000309440450 385583172 /nfs/dbraw/zinc/58/31/72/385583172.db2.gz IIPKEQJIWCCEPD-AAEUAGOBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccn1 ZINC000181804629 385605845 /nfs/dbraw/zinc/60/58/45/385605845.db2.gz XVGLVVIULJYFAC-STQMWFEESA-N 2 2 233.359 2.217 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC2(CCC2)C1 ZINC000309446268 385586965 /nfs/dbraw/zinc/58/69/65/385586965.db2.gz LKNJRAIVRQEEQG-LLVKDONJSA-N 2 2 219.332 2.194 20 0 BEADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccn1 ZINC000181804629 385605850 /nfs/dbraw/zinc/60/58/50/385605850.db2.gz XVGLVVIULJYFAC-STQMWFEESA-N 2 2 233.359 2.217 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414849057 385617583 /nfs/dbraw/zinc/61/75/83/385617583.db2.gz QOGLPVILTGCNJA-UHFFFAOYSA-N 2 2 230.714 2.178 20 0 BEADLP Cc1ccncc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000269723774 385629838 /nfs/dbraw/zinc/62/98/38/385629838.db2.gz UAGFNGWZLNZMCD-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000309503980 385639706 /nfs/dbraw/zinc/63/97/06/385639706.db2.gz VLADJUBMTQPYSL-OLZOCXBDSA-N 2 2 220.360 2.330 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000336682020 385640674 /nfs/dbraw/zinc/64/06/74/385640674.db2.gz DEMMMGJMDWGFLX-DLOFLVKXSA-N 2 2 222.376 2.247 20 0 BEADLP CCC1CC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000336682020 385640683 /nfs/dbraw/zinc/64/06/83/385640683.db2.gz DEMMMGJMDWGFLX-DLOFLVKXSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000337420068 385652654 /nfs/dbraw/zinc/65/26/54/385652654.db2.gz PHNMGANJXOPHSY-CYBMUJFWSA-N 2 2 233.359 2.311 20 0 BEADLP Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414854267 385692153 /nfs/dbraw/zinc/69/21/53/385692153.db2.gz YYXKYBJBEOEWDJ-LBPRGKRZSA-N 2 2 242.725 2.321 20 0 BEADLP Fc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414854266 385693194 /nfs/dbraw/zinc/69/31/94/385693194.db2.gz YYXKYBJBEOEWDJ-GFCCVEGCSA-N 2 2 242.725 2.321 20 0 BEADLP CC(C)[N@H+](CCCn1cc[nH+]c1)CC(F)F ZINC000182865989 385713683 /nfs/dbraw/zinc/71/36/83/385713683.db2.gz YXVHOFQWMAVGFO-UHFFFAOYSA-N 2 2 231.290 2.249 20 0 BEADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CC(F)F ZINC000182865989 385713686 /nfs/dbraw/zinc/71/36/86/385713686.db2.gz YXVHOFQWMAVGFO-UHFFFAOYSA-N 2 2 231.290 2.249 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CCC1CC1 ZINC000186201981 385746370 /nfs/dbraw/zinc/74/63/70/385746370.db2.gz MWYMLRCVKWDRJV-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000270825698 385748807 /nfs/dbraw/zinc/74/88/07/385748807.db2.gz KLVHQRQOLUXJQL-GFCCVEGCSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000270825698 385748809 /nfs/dbraw/zinc/74/88/09/385748809.db2.gz KLVHQRQOLUXJQL-GFCCVEGCSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000414862010 385749944 /nfs/dbraw/zinc/74/99/44/385749944.db2.gz GRIRHLUDRBXHFI-YPMHNXCESA-N 2 2 236.334 2.098 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000414861775 385753512 /nfs/dbraw/zinc/75/35/12/385753512.db2.gz GHSLVTSSHLTMNY-SNVBAGLBSA-N 2 2 239.388 2.108 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCC1CC1 ZINC000186308130 385753926 /nfs/dbraw/zinc/75/39/26/385753926.db2.gz WHUXNKCBYHEFCF-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCC1CC1 ZINC000186308130 385753932 /nfs/dbraw/zinc/75/39/32/385753932.db2.gz WHUXNKCBYHEFCF-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCC1CC1 ZINC000186308150 385753954 /nfs/dbraw/zinc/75/39/54/385753954.db2.gz WHUXNKCBYHEFCF-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCC1CC1 ZINC000186308150 385753957 /nfs/dbraw/zinc/75/39/57/385753957.db2.gz WHUXNKCBYHEFCF-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414862800 385754311 /nfs/dbraw/zinc/75/43/11/385754311.db2.gz IAODBGZDRKLSOR-PXYYCUNGSA-N 2 2 216.328 2.041 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1Cl ZINC000414863280 385763215 /nfs/dbraw/zinc/76/32/15/385763215.db2.gz IFZLBBYLDFRZKI-LBPRGKRZSA-N 2 2 238.762 2.490 20 0 BEADLP CCc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C1 ZINC000414865177 385768512 /nfs/dbraw/zinc/76/85/12/385768512.db2.gz CWQSKALFTIQNTQ-NSHDSACASA-N 2 2 244.338 2.447 20 0 BEADLP CC(C)CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336656505 385783421 /nfs/dbraw/zinc/78/34/21/385783421.db2.gz HYZMSHNSYOUSNI-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336656505 385783423 /nfs/dbraw/zinc/78/34/23/385783423.db2.gz HYZMSHNSYOUSNI-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](CCC(C)(C)C)[NH2+]CC[NH+](C)C ZINC000336691312 385724802 /nfs/dbraw/zinc/72/48/02/385724802.db2.gz PTSHNIKIPSOUJF-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@H]1CCC[C@H](C[NH2+]CC[NH2+]CCOC)C1 ZINC000414867185 385797794 /nfs/dbraw/zinc/79/77/94/385797794.db2.gz BYJJGNBKYOHECQ-KBPBESRZSA-N 2 2 242.407 2.028 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271346848 385819188 /nfs/dbraw/zinc/81/91/88/385819188.db2.gz XVOVMQNCEHJZQP-NWDGAFQWSA-N 2 2 207.321 2.174 20 0 BEADLP CC(C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271346848 385819189 /nfs/dbraw/zinc/81/91/89/385819189.db2.gz XVOVMQNCEHJZQP-NWDGAFQWSA-N 2 2 207.321 2.174 20 0 BEADLP CCCCOc1ccccc1C[NH2+][C@@H](C)C[NH3+] ZINC000414948626 385819900 /nfs/dbraw/zinc/81/99/00/385819900.db2.gz XWRPGHMEXAWTTE-LBPRGKRZSA-N 2 2 236.359 2.302 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000340171831 385820773 /nfs/dbraw/zinc/82/07/73/385820773.db2.gz ALEHKNSEHNKTEP-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000271377296 385822569 /nfs/dbraw/zinc/82/25/69/385822569.db2.gz HVIOHNWNLKUTKR-STQMWFEESA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000271377296 385822573 /nfs/dbraw/zinc/82/25/73/385822573.db2.gz HVIOHNWNLKUTKR-STQMWFEESA-N 2 2 233.359 2.135 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccncc1F ZINC000340177052 385823056 /nfs/dbraw/zinc/82/30/56/385823056.db2.gz VEHVQSUFCAHPOY-GHMZBOCLSA-N 2 2 248.305 2.157 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000414868652 385826663 /nfs/dbraw/zinc/82/66/63/385826663.db2.gz DWEYUPOYRCGOBJ-STQMWFEESA-N 2 2 242.407 2.027 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000340185120 385828404 /nfs/dbraw/zinc/82/84/04/385828404.db2.gz PNBSGAFRAXILLE-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000340185120 385828406 /nfs/dbraw/zinc/82/84/06/385828406.db2.gz PNBSGAFRAXILLE-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000271482249 385832966 /nfs/dbraw/zinc/83/29/66/385832966.db2.gz SPOAKKPRFRRJIN-CYBMUJFWSA-N 2 2 244.342 2.327 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336740899 385841361 /nfs/dbraw/zinc/84/13/61/385841361.db2.gz MSPHTXYLJQGNNN-GRYCIOLGSA-N 2 2 221.348 2.296 20 0 BEADLP FCCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000336717776 385841420 /nfs/dbraw/zinc/84/14/20/385841420.db2.gz WZQTXDHKKCUWTA-UHFFFAOYSA-N 2 2 221.279 2.174 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCC)cc1 ZINC000414957204 385844615 /nfs/dbraw/zinc/84/46/15/385844615.db2.gz NXQMDHWOROXWHS-GFCCVEGCSA-N 2 2 236.359 2.173 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCCC1 ZINC000309687323 385788619 /nfs/dbraw/zinc/78/86/19/385788619.db2.gz HTMSOPXKLYEQCJ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCCC1 ZINC000309687323 385788620 /nfs/dbraw/zinc/78/86/20/385788620.db2.gz HTMSOPXKLYEQCJ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)CC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000309697492 385797692 /nfs/dbraw/zinc/79/76/92/385797692.db2.gz RTZBPFWQOCTRGQ-CHWSQXEVSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)CC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000309697492 385797697 /nfs/dbraw/zinc/79/76/97/385797697.db2.gz RTZBPFWQOCTRGQ-CHWSQXEVSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)CC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000309697494 385797735 /nfs/dbraw/zinc/79/77/35/385797735.db2.gz RTZBPFWQOCTRGQ-QWHCGFSZSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)CC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000309697494 385797743 /nfs/dbraw/zinc/79/77/43/385797743.db2.gz RTZBPFWQOCTRGQ-QWHCGFSZSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414874243 385885186 /nfs/dbraw/zinc/88/51/86/385885186.db2.gz YXITYSLGIZJAFO-AWEZNQCLSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000647845742 385885534 /nfs/dbraw/zinc/88/55/34/385885534.db2.gz DHYLEBWEYRZVQS-GRYCIOLGSA-N 2 2 237.347 2.103 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000647845742 385885536 /nfs/dbraw/zinc/88/55/36/385885536.db2.gz DHYLEBWEYRZVQS-GRYCIOLGSA-N 2 2 237.347 2.103 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000336726258 385889584 /nfs/dbraw/zinc/88/95/84/385889584.db2.gz GEGDJVUGUMCPTC-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336726258 385889591 /nfs/dbraw/zinc/88/95/91/385889591.db2.gz GEGDJVUGUMCPTC-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000217677076 385891127 /nfs/dbraw/zinc/89/11/27/385891127.db2.gz BDWFGICOJHVPJC-QEJZJMRPSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000217677076 385891132 /nfs/dbraw/zinc/89/11/32/385891132.db2.gz BDWFGICOJHVPJC-QEJZJMRPSA-N 2 2 245.370 2.359 20 0 BEADLP Cc1cc(N)cc(C[NH2+]CC[NH2+]C(C)(C)C)c1 ZINC000414965225 385913206 /nfs/dbraw/zinc/91/32/06/385913206.db2.gz NJGJJSCHBZWYNW-UHFFFAOYSA-N 2 2 235.375 2.055 20 0 BEADLP CC(C)Cc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000087316426 385918503 /nfs/dbraw/zinc/91/85/03/385918503.db2.gz QXSTVTLVEYRZBI-UHFFFAOYSA-N 2 2 220.360 2.276 20 0 BEADLP CC(C)Cc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000087316426 385918510 /nfs/dbraw/zinc/91/85/10/385918510.db2.gz QXSTVTLVEYRZBI-UHFFFAOYSA-N 2 2 220.360 2.276 20 0 BEADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[NH+](C)C ZINC000336768023 385921024 /nfs/dbraw/zinc/92/10/24/385921024.db2.gz UFFSEEHFGALNJA-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000122468563 385922247 /nfs/dbraw/zinc/92/22/47/385922247.db2.gz IOBAHQJLKVAGIZ-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000308799974 385865664 /nfs/dbraw/zinc/86/56/64/385865664.db2.gz MHLFEWQJLXALGS-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000308799974 385865668 /nfs/dbraw/zinc/86/56/68/385865668.db2.gz MHLFEWQJLXALGS-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000337993798 385871644 /nfs/dbraw/zinc/87/16/44/385871644.db2.gz TXMHMBHGCQFRBH-UONOGXRCSA-N 2 2 233.359 2.442 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(C)c1 ZINC000221159649 385982579 /nfs/dbraw/zinc/98/25/79/385982579.db2.gz KFDVHTCJRZZTPA-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000221159649 385982581 /nfs/dbraw/zinc/98/25/81/385982581.db2.gz KFDVHTCJRZZTPA-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397773482 385931040 /nfs/dbraw/zinc/93/10/40/385931040.db2.gz MOXOORWFQQWDFZ-ITGUQSILSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(F)c1F ZINC000335043833 385935947 /nfs/dbraw/zinc/93/59/47/385935947.db2.gz WZQTWONXBQYXCF-VIFPVBQESA-N 2 2 240.297 2.367 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(C)(C)C1 ZINC000336768343 385945206 /nfs/dbraw/zinc/94/52/06/385945206.db2.gz UNPDUNDFMLEHNQ-JTQLQIEISA-N 2 2 207.321 2.050 20 0 BEADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@H]1C ZINC000414077835 385950089 /nfs/dbraw/zinc/95/00/89/385950089.db2.gz ZKAGTTVLBUDEEB-DYEKYZERSA-N 2 2 247.386 2.396 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057102 385955365 /nfs/dbraw/zinc/95/53/65/385955365.db2.gz XBANSKGHBPONQI-BXUZGUMPSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057102 385955369 /nfs/dbraw/zinc/95/53/69/385955369.db2.gz XBANSKGHBPONQI-BXUZGUMPSA-N 2 2 245.370 2.407 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414090322 385957257 /nfs/dbraw/zinc/95/72/57/385957257.db2.gz CPRGIFSDGIGRDZ-LBPRGKRZSA-N 2 2 244.342 2.017 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1CC1(C)C ZINC000414091147 385957619 /nfs/dbraw/zinc/95/76/19/385957619.db2.gz LGZYFRCCSDSVDA-FVCCEPFGSA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CC1(C)C ZINC000414091147 385957623 /nfs/dbraw/zinc/95/76/23/385957623.db2.gz LGZYFRCCSDSVDA-FVCCEPFGSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000414879796 385958107 /nfs/dbraw/zinc/95/81/07/385958107.db2.gz JGSODHRSGQMVOD-JTQLQIEISA-N 2 2 238.400 2.497 20 0 BEADLP C[C@@H]1CC[NH2+]CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058099 385959125 /nfs/dbraw/zinc/95/91/25/385959125.db2.gz XXUAXEOJXNONOI-RISCZKNCSA-N 2 2 245.370 2.455 20 0 BEADLP CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285744773 385959767 /nfs/dbraw/zinc/95/97/67/385959767.db2.gz RIDDLKVACOFYJR-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285744773 385959773 /nfs/dbraw/zinc/95/97/73/385959773.db2.gz RIDDLKVACOFYJR-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285744773 385959776 /nfs/dbraw/zinc/95/97/76/385959776.db2.gz RIDDLKVACOFYJR-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285744773 385959784 /nfs/dbraw/zinc/95/97/84/385959784.db2.gz RIDDLKVACOFYJR-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)o1 ZINC000335059541 385961055 /nfs/dbraw/zinc/96/10/55/385961055.db2.gz CIUFISUCWXLVJT-VXGBXAGGSA-N 2 2 222.332 2.381 20 0 BEADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@H]1C[C@H]1C ZINC000414108250 385969133 /nfs/dbraw/zinc/96/91/33/385969133.db2.gz JYABQIRUSWAWDP-VOAKCMCISA-N 2 2 242.432 2.058 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1C[C@@H]1C ZINC000414108381 385969984 /nfs/dbraw/zinc/96/99/84/385969984.db2.gz LQDSMLUFEDICFD-ZUWCUPBKSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1C[C@@H]1C ZINC000414108381 385969989 /nfs/dbraw/zinc/96/99/89/385969989.db2.gz LQDSMLUFEDICFD-ZUWCUPBKSA-N 2 2 224.392 2.493 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000338345493 385973585 /nfs/dbraw/zinc/97/35/85/385973585.db2.gz ANNRYJILEXETLB-IHRRRGAJSA-N 2 2 242.407 2.216 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000338345493 385973589 /nfs/dbraw/zinc/97/35/89/385973589.db2.gz ANNRYJILEXETLB-IHRRRGAJSA-N 2 2 242.407 2.216 20 0 BEADLP Cc1nocc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000295361204 386020764 /nfs/dbraw/zinc/02/07/64/386020764.db2.gz NUCWCERZABXOAH-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc[nH+]c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000286304845 386021123 /nfs/dbraw/zinc/02/11/23/386021123.db2.gz JSKBGOYHOZZATQ-ZIAGYGMSSA-N 2 2 245.370 2.453 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000334428605 386036278 /nfs/dbraw/zinc/03/62/78/386036278.db2.gz SQGWDTAKIKYWNR-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)nc1 ZINC000334428605 386036282 /nfs/dbraw/zinc/03/62/82/386036282.db2.gz SQGWDTAKIKYWNR-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)nc1 ZINC000334428605 386036287 /nfs/dbraw/zinc/03/62/87/386036287.db2.gz SQGWDTAKIKYWNR-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)nc1 ZINC000334428605 386036292 /nfs/dbraw/zinc/03/62/92/386036292.db2.gz SQGWDTAKIKYWNR-UKRRQHHQSA-N 2 2 247.386 2.162 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000335075811 386045325 /nfs/dbraw/zinc/04/53/25/386045325.db2.gz ROCFKWZPIBIEHL-SWLSCSKDSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@H+](C)C1CC1 ZINC000340232737 386049276 /nfs/dbraw/zinc/04/92/76/386049276.db2.gz RSGQGIJEEQUIFU-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)[N@@H+](C)C1CC1 ZINC000340232737 386049279 /nfs/dbraw/zinc/04/92/79/386049279.db2.gz RSGQGIJEEQUIFU-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000273399949 385995942 /nfs/dbraw/zinc/99/59/42/385995942.db2.gz OWAKLDQZBGNBMY-OAHLLOKOSA-N 2 2 232.371 2.159 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414149536 385996662 /nfs/dbraw/zinc/99/66/62/385996662.db2.gz XQULFJWVZVGGFN-MCIONIFRSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414149536 385996668 /nfs/dbraw/zinc/99/66/68/385996668.db2.gz XQULFJWVZVGGFN-MCIONIFRSA-N 2 2 222.376 2.273 20 0 BEADLP Cc1nocc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000295228235 385996825 /nfs/dbraw/zinc/99/68/25/385996825.db2.gz CNUGXPQITMZNJZ-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1nocc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000295228235 385996829 /nfs/dbraw/zinc/99/68/29/385996829.db2.gz CNUGXPQITMZNJZ-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCSC2)c[nH+]1 ZINC000336729247 386107658 /nfs/dbraw/zinc/10/76/58/386107658.db2.gz HQUWHYKYZVGZKL-ZDUSSCGKSA-N 2 2 236.384 2.418 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1sccc1Cl)C1CC1 ZINC000414889166 386112280 /nfs/dbraw/zinc/11/22/80/386112280.db2.gz KXRYLLITCYMGGH-SECBINFHSA-N 2 2 230.764 2.228 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC000189916182 386117805 /nfs/dbraw/zinc/11/78/05/386117805.db2.gz ZPAQDZQLVCKCCE-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC000189916182 386117812 /nfs/dbraw/zinc/11/78/12/386117812.db2.gz ZPAQDZQLVCKCCE-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC000189916182 386117818 /nfs/dbraw/zinc/11/78/18/386117818.db2.gz ZPAQDZQLVCKCCE-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000189916182 386117823 /nfs/dbraw/zinc/11/78/23/386117823.db2.gz ZPAQDZQLVCKCCE-CQSZACIVSA-N 2 2 247.386 2.164 20 0 BEADLP FC(F)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000353181462 386118971 /nfs/dbraw/zinc/11/89/71/386118971.db2.gz MEEITFTVBRYIIM-JTQLQIEISA-N 2 2 229.274 2.003 20 0 BEADLP FC(F)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000353181462 386118975 /nfs/dbraw/zinc/11/89/75/386118975.db2.gz MEEITFTVBRYIIM-JTQLQIEISA-N 2 2 229.274 2.003 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000334443440 386064074 /nfs/dbraw/zinc/06/40/74/386064074.db2.gz DVGVOEVTZBVFDI-LBPRGKRZSA-N 2 2 245.301 2.196 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000334443440 386064081 /nfs/dbraw/zinc/06/40/81/386064081.db2.gz DVGVOEVTZBVFDI-LBPRGKRZSA-N 2 2 245.301 2.196 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414655762 386082168 /nfs/dbraw/zinc/08/21/68/386082168.db2.gz LXXZZYWRVORVAT-ZNMIVQPWSA-N 2 2 230.355 2.084 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414655762 386082173 /nfs/dbraw/zinc/08/21/73/386082173.db2.gz LXXZZYWRVORVAT-ZNMIVQPWSA-N 2 2 230.355 2.084 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)CCC1CCCC1 ZINC000414887557 386091999 /nfs/dbraw/zinc/09/19/99/386091999.db2.gz QLZQATJDOFUHAO-CYBMUJFWSA-N 2 2 242.407 2.171 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H](C)CCC1CCCC1 ZINC000414887559 386092081 /nfs/dbraw/zinc/09/20/81/386092081.db2.gz QLZQATJDOFUHAO-ZDUSSCGKSA-N 2 2 242.407 2.171 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000345307511 386098810 /nfs/dbraw/zinc/09/88/10/386098810.db2.gz FSHGFWRNRRHOBH-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CSC1(C[NH2+]CCCn2cc[nH+]c2)CCC1 ZINC000235228836 386144826 /nfs/dbraw/zinc/14/48/26/386144826.db2.gz JYIDVWWPAGGSFV-UHFFFAOYSA-N 2 2 239.388 2.149 20 0 BEADLP CCc1cccc(OCC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000346110020 386150841 /nfs/dbraw/zinc/15/08/41/386150841.db2.gz VMJQSLHAXRHUJE-AWEZNQCLSA-N 2 2 248.370 2.051 20 0 BEADLP CCc1cccc(OCC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000346110020 386150846 /nfs/dbraw/zinc/15/08/46/386150846.db2.gz VMJQSLHAXRHUJE-AWEZNQCLSA-N 2 2 248.370 2.051 20 0 BEADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335156218 386151190 /nfs/dbraw/zinc/15/11/90/386151190.db2.gz MLRYDXFDXWPLEI-YPMHNXCESA-N 2 2 236.746 2.279 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000440801724 386161827 /nfs/dbraw/zinc/16/18/27/386161827.db2.gz RIVSTJOXFILKJI-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000440801724 386161831 /nfs/dbraw/zinc/16/18/31/386161831.db2.gz RIVSTJOXFILKJI-OLZOCXBDSA-N 2 2 230.371 2.398 20 0 BEADLP CC[C@](C)(C[NH2+]C(C)(C)C[NH+]1CCCC1)OC ZINC000319812941 386162259 /nfs/dbraw/zinc/16/22/59/386162259.db2.gz HMYQXRJEAFFDQI-CQSZACIVSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC=CCC2)CCC[N@@H+]1C ZINC000336722722 386164400 /nfs/dbraw/zinc/16/44/00/386164400.db2.gz ATHWDNCFXVSPMQ-MCIONIFRSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CC=CCC2)CCC[N@H+]1C ZINC000336722722 386164404 /nfs/dbraw/zinc/16/44/04/386164404.db2.gz ATHWDNCFXVSPMQ-MCIONIFRSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CC=CCC2)CCC[N@@H+]1C ZINC000336722721 386164915 /nfs/dbraw/zinc/16/49/15/386164915.db2.gz ATHWDNCFXVSPMQ-HZSPNIEDSA-N 2 2 222.376 2.415 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CC=CCC2)CCC[N@H+]1C ZINC000336722721 386164920 /nfs/dbraw/zinc/16/49/20/386164920.db2.gz ATHWDNCFXVSPMQ-HZSPNIEDSA-N 2 2 222.376 2.415 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000414987917 386125082 /nfs/dbraw/zinc/12/50/82/386125082.db2.gz ZLGJRQRWHRFKSD-JTQLQIEISA-N 2 2 212.724 2.167 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000334466105 386126232 /nfs/dbraw/zinc/12/62/32/386126232.db2.gz CYSUPIYGPNLAMM-BXUZGUMPSA-N 2 2 248.345 2.355 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000334466107 386127368 /nfs/dbraw/zinc/12/73/68/386127368.db2.gz CYSUPIYGPNLAMM-RISCZKNCSA-N 2 2 248.345 2.355 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000275333667 386202350 /nfs/dbraw/zinc/20/23/50/386202350.db2.gz WLZQBTDEIPJEDR-ZIAGYGMSSA-N 2 2 248.370 2.432 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000414697037 386202663 /nfs/dbraw/zinc/20/26/63/386202663.db2.gz PPXPWEKKEAQURU-KBPBESRZSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000414697037 386202665 /nfs/dbraw/zinc/20/26/65/386202665.db2.gz PPXPWEKKEAQURU-KBPBESRZSA-N 2 2 242.407 2.107 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000131417425 386206928 /nfs/dbraw/zinc/20/69/28/386206928.db2.gz FRFPCYDOBISAQL-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000131417425 386206932 /nfs/dbraw/zinc/20/69/32/386206932.db2.gz FRFPCYDOBISAQL-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414706909 386221628 /nfs/dbraw/zinc/22/16/28/386221628.db2.gz LTHHFRAJEVAVGB-UONOGXRCSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414706909 386221631 /nfs/dbraw/zinc/22/16/31/386221631.db2.gz LTHHFRAJEVAVGB-UONOGXRCSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)CO[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414706912 386221698 /nfs/dbraw/zinc/22/16/98/386221698.db2.gz LTHHFRAJEVAVGB-ZIAGYGMSSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414706912 386221699 /nfs/dbraw/zinc/22/16/99/386221699.db2.gz LTHHFRAJEVAVGB-ZIAGYGMSSA-N 2 2 242.407 2.107 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000415001450 386233093 /nfs/dbraw/zinc/23/30/93/386233093.db2.gz CJJFSBZUVIEVNI-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000415001455 386233328 /nfs/dbraw/zinc/23/33/28/386233328.db2.gz CJJFSBZUVIEVNI-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@H](F)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347095459 386246820 /nfs/dbraw/zinc/24/68/20/386246820.db2.gz RKQBPKLXQSNARK-AAEUAGOBSA-N 2 2 238.306 2.283 20 0 BEADLP C[C@H](F)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347095459 386246823 /nfs/dbraw/zinc/24/68/23/386246823.db2.gz RKQBPKLXQSNARK-AAEUAGOBSA-N 2 2 238.306 2.283 20 0 BEADLP CCc1[nH+]ccn1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000319824921 386194314 /nfs/dbraw/zinc/19/43/14/386194314.db2.gz WJNHTWMGMQWTGD-CHWSQXEVSA-N 2 2 235.375 2.423 20 0 BEADLP CCOC[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414698479 386199873 /nfs/dbraw/zinc/19/98/73/386199873.db2.gz QZFJOVQDTLDPRT-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CCOC[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414698479 386199878 /nfs/dbraw/zinc/19/98/78/386199878.db2.gz QZFJOVQDTLDPRT-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@H+]1C ZINC000289291650 386280858 /nfs/dbraw/zinc/28/08/58/386280858.db2.gz PSCAWDDMKIFRMO-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000289291650 386280862 /nfs/dbraw/zinc/28/08/62/386280862.db2.gz PSCAWDDMKIFRMO-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c(C2CC2)n1 ZINC000264889528 386281014 /nfs/dbraw/zinc/28/10/14/386281014.db2.gz STYAUESTLQKIJJ-JTQLQIEISA-N 2 2 234.347 2.106 20 0 BEADLP C(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000336666819 386292818 /nfs/dbraw/zinc/29/28/18/386292818.db2.gz LKEMYDIKHWVVPY-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000336666819 386292819 /nfs/dbraw/zinc/29/28/19/386292819.db2.gz LKEMYDIKHWVVPY-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000336666816 386292966 /nfs/dbraw/zinc/29/29/66/386292966.db2.gz LKEMYDIKHWVVPY-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP C(C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000336666816 386292967 /nfs/dbraw/zinc/29/29/67/386292967.db2.gz LKEMYDIKHWVVPY-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187081892 386303411 /nfs/dbraw/zinc/30/34/11/386303411.db2.gz UANXCNVOHAQLQK-NSHDSACASA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187081892 386303413 /nfs/dbraw/zinc/30/34/13/386303413.db2.gz UANXCNVOHAQLQK-NSHDSACASA-N 2 2 230.421 2.059 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C)s1 ZINC000289479139 386312876 /nfs/dbraw/zinc/31/28/76/386312876.db2.gz QHAJBMIUQJQSJO-UHFFFAOYSA-N 2 2 241.404 2.225 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)s1 ZINC000289479139 386312882 /nfs/dbraw/zinc/31/28/82/386312882.db2.gz QHAJBMIUQJQSJO-UHFFFAOYSA-N 2 2 241.404 2.225 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000289494842 386316828 /nfs/dbraw/zinc/31/68/28/386316828.db2.gz BUMVVKFRNOUYCV-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000289494842 386316833 /nfs/dbraw/zinc/31/68/33/386316833.db2.gz BUMVVKFRNOUYCV-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCC1(O)CCC1 ZINC000289532578 386323494 /nfs/dbraw/zinc/32/34/94/386323494.db2.gz PYRHKNKXNMZYSA-UHFFFAOYSA-N 2 2 248.370 2.217 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1C ZINC000289174817 386267876 /nfs/dbraw/zinc/26/78/76/386267876.db2.gz SFQTYIIHMREPSL-CYBMUJFWSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1C ZINC000289174817 386267879 /nfs/dbraw/zinc/26/78/79/386267879.db2.gz SFQTYIIHMREPSL-CYBMUJFWSA-N 2 2 234.343 2.043 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccc(F)cc1 ZINC000289694739 386343120 /nfs/dbraw/zinc/34/31/20/386343120.db2.gz FTXCGDNJPYJFDN-RYUDHWBXSA-N 2 2 238.350 2.469 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000647933413 386362456 /nfs/dbraw/zinc/36/24/56/386362456.db2.gz NKHGLZMPCXLRML-UHFFFAOYSA-N 2 2 219.332 2.348 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+](CC1CCCCC1)C2 ZINC000647933413 386362460 /nfs/dbraw/zinc/36/24/60/386362460.db2.gz NKHGLZMPCXLRML-UHFFFAOYSA-N 2 2 219.332 2.348 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)Cc1ccccc1 ZINC000289884167 386368298 /nfs/dbraw/zinc/36/82/98/386368298.db2.gz SFPZAVNQYYXHQZ-KGLIPLIRSA-N 2 2 234.387 2.405 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000276488453 386333367 /nfs/dbraw/zinc/33/33/67/386333367.db2.gz UUXLNNUUBGRUJI-HIFRSBDPSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336718587 386441433 /nfs/dbraw/zinc/44/14/33/386441433.db2.gz XKIZZANCYCWAPA-GRYCIOLGSA-N 2 2 244.448 2.446 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H]2c2ccccc2)c[nH+]1 ZINC000336715933 386444931 /nfs/dbraw/zinc/44/49/31/386444931.db2.gz VFYXNGCAQQAXBV-CQSZACIVSA-N 2 2 227.311 2.330 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H]2c2ccccc2)c[nH+]1 ZINC000336715933 386444936 /nfs/dbraw/zinc/44/49/36/386444936.db2.gz VFYXNGCAQQAXBV-CQSZACIVSA-N 2 2 227.311 2.330 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCOCC1CC1 ZINC000290516962 386447474 /nfs/dbraw/zinc/44/74/74/386447474.db2.gz XHUGHDACHCTVKU-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP CSCC[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000290124127 386396873 /nfs/dbraw/zinc/39/68/73/386396873.db2.gz UJYYNEQCJBSKPX-LLVKDONJSA-N 2 2 241.404 2.036 20 0 BEADLP CSCC[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290124127 386396876 /nfs/dbraw/zinc/39/68/76/386396876.db2.gz UJYYNEQCJBSKPX-LLVKDONJSA-N 2 2 241.404 2.036 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000290166063 386401047 /nfs/dbraw/zinc/40/10/47/386401047.db2.gz QMGLDTYISMNUMU-ITKZLYELSA-N 2 2 236.334 2.379 20 0 BEADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000290164404 386401090 /nfs/dbraw/zinc/40/10/90/386401090.db2.gz MCHRNFZZWHKELM-NHYWBVRUSA-N 2 2 246.354 2.192 20 0 BEADLP Cc1ccoc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000266166563 386405692 /nfs/dbraw/zinc/40/56/92/386405692.db2.gz AOBDAHSSJXWDKX-LLVKDONJSA-N 2 2 233.315 2.210 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@H](C)C1 ZINC000414757848 386405804 /nfs/dbraw/zinc/40/58/04/386405804.db2.gz LVOGDSBQJKITJN-STQMWFEESA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@H](C)C1 ZINC000414757848 386405805 /nfs/dbraw/zinc/40/58/05/386405805.db2.gz LVOGDSBQJKITJN-STQMWFEESA-N 2 2 212.381 2.482 20 0 BEADLP C[NH+](C)[C@@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000277218395 386418321 /nfs/dbraw/zinc/41/83/21/386418321.db2.gz RLWKNWKXNNKLIW-GFCCVEGCSA-N 2 2 219.332 2.002 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCOCC1 ZINC000290302700 386420322 /nfs/dbraw/zinc/42/03/22/386420322.db2.gz IBMBJTRTNRJOSQ-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccn1 ZINC000391195656 386474457 /nfs/dbraw/zinc/47/44/57/386474457.db2.gz LDPMTCKZNSPXJN-TZMCWYRMSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1cnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266924546 386480957 /nfs/dbraw/zinc/48/09/57/386480957.db2.gz MZPOWHRHOHVAHJ-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266924546 386480960 /nfs/dbraw/zinc/48/09/60/386480960.db2.gz MZPOWHRHOHVAHJ-NSHDSACASA-N 2 2 246.314 2.086 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000417350594 386487913 /nfs/dbraw/zinc/48/79/13/386487913.db2.gz AKRCLWKFPUBWJP-CHWSQXEVSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCSCC1 ZINC000417353358 386490679 /nfs/dbraw/zinc/49/06/79/386490679.db2.gz IUASOQRGXJQVDS-NSHDSACASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)[C@H](C)[NH3+] ZINC000415013081 386492058 /nfs/dbraw/zinc/49/20/58/386492058.db2.gz KAAAWSSMLFXJNJ-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C[NH3+])C(C)(C)C)c[nH+]1 ZINC000415050423 386504855 /nfs/dbraw/zinc/50/48/55/386504855.db2.gz CLTHQULSZQPPEI-CQSZACIVSA-N 3 2 249.402 2.286 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC000336784106 386508881 /nfs/dbraw/zinc/50/88/81/386508881.db2.gz LJJVAXOICPXXMZ-AWEZNQCLSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC000336784106 386508888 /nfs/dbraw/zinc/50/88/88/386508888.db2.gz LJJVAXOICPXXMZ-AWEZNQCLSA-N 2 2 247.386 2.475 20 0 BEADLP Cc1ccncc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000135499519 386519808 /nfs/dbraw/zinc/51/98/08/386519808.db2.gz YORHCCDGKYTCGV-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000135499519 386519815 /nfs/dbraw/zinc/51/98/15/386519815.db2.gz YORHCCDGKYTCGV-OCCSQVGLSA-N 2 2 233.359 2.092 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336780093 386521768 /nfs/dbraw/zinc/52/17/68/386521768.db2.gz QJQLCVOVQDIEMN-FRRDWIJNSA-N 2 2 244.448 2.448 20 0 BEADLP CCSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336780093 386521775 /nfs/dbraw/zinc/52/17/75/386521775.db2.gz QJQLCVOVQDIEMN-FRRDWIJNSA-N 2 2 244.448 2.448 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)c[nH+]1 ZINC000415036961 386523601 /nfs/dbraw/zinc/52/36/01/386523601.db2.gz KTCAITVRIBBDPA-CQSZACIVSA-N 3 2 247.386 2.053 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336778261 386458644 /nfs/dbraw/zinc/45/86/44/386458644.db2.gz KWAHTVYMMZSZOI-CHWSQXEVSA-N 2 2 230.371 2.446 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336778261 386458651 /nfs/dbraw/zinc/45/86/51/386458651.db2.gz KWAHTVYMMZSZOI-CHWSQXEVSA-N 2 2 230.371 2.446 20 0 BEADLP C[C@H]1OCC[C@H]1[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797087 386578715 /nfs/dbraw/zinc/57/87/15/386578715.db2.gz ARKPLAXWZCUVTN-TZMCWYRMSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336757237 386580122 /nfs/dbraw/zinc/58/01/22/386580122.db2.gz JXWBVYOOCDMXKP-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336757237 386580125 /nfs/dbraw/zinc/58/01/25/386580125.db2.gz JXWBVYOOCDMXKP-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(F)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335414889 386582318 /nfs/dbraw/zinc/58/23/18/386582318.db2.gz UBVAAVLBUYDNOL-UHFFFAOYSA-N 2 2 248.345 2.462 20 0 BEADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1F ZINC000278825382 386590419 /nfs/dbraw/zinc/59/04/19/386590419.db2.gz YHNQOUAVJVYIHO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1F ZINC000278825382 386590423 /nfs/dbraw/zinc/59/04/23/386590423.db2.gz YHNQOUAVJVYIHO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000278825382 386590432 /nfs/dbraw/zinc/59/04/32/386590432.db2.gz YHNQOUAVJVYIHO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000278825382 386590440 /nfs/dbraw/zinc/59/04/40/386590440.db2.gz YHNQOUAVJVYIHO-OKILXGFUSA-N 2 2 248.345 2.128 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000453405123 386592236 /nfs/dbraw/zinc/59/22/36/386592236.db2.gz JFSQBOUCTQWHAP-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCOC(C)(C)CC)C1 ZINC000453405123 386592244 /nfs/dbraw/zinc/59/22/44/386592244.db2.gz JFSQBOUCTQWHAP-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)c1cnc(C[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000414803222 386598985 /nfs/dbraw/zinc/59/89/85/386598985.db2.gz WGOHXUIOEJXPOX-JTQLQIEISA-N 2 2 241.404 2.339 20 0 BEADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CC(C)C ZINC000415065489 386548920 /nfs/dbraw/zinc/54/89/20/386548920.db2.gz MWUNYZFNNNTICV-AWEZNQCLSA-N 2 2 220.360 2.494 20 0 BEADLP CC(C)CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291490923 386550922 /nfs/dbraw/zinc/55/09/22/386550922.db2.gz GORUPPDICGSYBJ-UHFFFAOYSA-N 2 2 207.321 2.135 20 0 BEADLP CC(C)CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000291490923 386550927 /nfs/dbraw/zinc/55/09/27/386550927.db2.gz GORUPPDICGSYBJ-UHFFFAOYSA-N 2 2 207.321 2.135 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000063191498 386551882 /nfs/dbraw/zinc/55/18/82/386551882.db2.gz BFSJTJXCTAXWPK-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000063191498 386551887 /nfs/dbraw/zinc/55/18/87/386551887.db2.gz BFSJTJXCTAXWPK-WFASDCNBSA-N 2 2 248.370 2.397 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415071340 386556227 /nfs/dbraw/zinc/55/62/27/386556227.db2.gz SORRKIDBLSBSNK-HNNXBMFYSA-N 2 2 248.370 2.065 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071386 386556539 /nfs/dbraw/zinc/55/65/39/386556539.db2.gz SXPMECJSZPRDKP-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983924 386557841 /nfs/dbraw/zinc/55/78/41/386557841.db2.gz VINYCDSJUHTFAI-VXGBXAGGSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983924 386557849 /nfs/dbraw/zinc/55/78/49/386557849.db2.gz VINYCDSJUHTFAI-VXGBXAGGSA-N 2 2 210.365 2.391 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000365647735 386572450 /nfs/dbraw/zinc/57/24/50/386572450.db2.gz FGBUONIYSRQSAQ-JOAKQRRISA-N 2 2 239.750 2.352 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000365647735 386572458 /nfs/dbraw/zinc/57/24/58/386572458.db2.gz FGBUONIYSRQSAQ-JOAKQRRISA-N 2 2 239.750 2.352 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228655407 386598040 /nfs/dbraw/zinc/59/80/40/386598040.db2.gz YFRZMCVHYZRKFO-GJZGRUSLSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228655407 386598043 /nfs/dbraw/zinc/59/80/43/386598043.db2.gz YFRZMCVHYZRKFO-GJZGRUSLSA-N 2 2 245.370 2.106 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccc(F)cc1F ZINC000415111563 386619569 /nfs/dbraw/zinc/61/95/69/386619569.db2.gz REMCWAMOHQZSNV-ONGXEEELSA-N 2 2 240.297 2.020 20 0 BEADLP CC(C)COc1cccc(C[N@H+](C)CC[NH3+])c1 ZINC000415100586 386619854 /nfs/dbraw/zinc/61/98/54/386619854.db2.gz ATKPAAAXSCEBFE-UHFFFAOYSA-N 2 2 236.359 2.112 20 0 BEADLP CC(C)COc1cccc(C[N@@H+](C)CC[NH3+])c1 ZINC000415100586 386619862 /nfs/dbraw/zinc/61/98/62/386619862.db2.gz ATKPAAAXSCEBFE-UHFFFAOYSA-N 2 2 236.359 2.112 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335498600 386622987 /nfs/dbraw/zinc/62/29/87/386622987.db2.gz QKWVZWHSNJGUOS-OCCSQVGLSA-N 2 2 246.354 2.160 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cncc(F)c1 ZINC000335498628 386623560 /nfs/dbraw/zinc/62/35/60/386623560.db2.gz RLXFSNYIGCLMNY-ZWNOBZJWSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cncc(F)c1 ZINC000335498627 386624408 /nfs/dbraw/zinc/62/44/08/386624408.db2.gz RLXFSNYIGCLMNY-MFKMUULPSA-N 2 2 237.322 2.013 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000335498896 386626467 /nfs/dbraw/zinc/62/64/67/386626467.db2.gz YJEJOSBTGMUMST-IUODEOHRSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000268277652 386635236 /nfs/dbraw/zinc/63/52/36/386635236.db2.gz AFPAKLFZFIFXMI-AWEZNQCLSA-N 2 2 245.370 2.455 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000414814069 386639513 /nfs/dbraw/zinc/63/95/13/386639513.db2.gz YXOJUIVCYSXZHG-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1ccnn1C(C)C ZINC000414813225 386642726 /nfs/dbraw/zinc/64/27/26/386642726.db2.gz STXOYCDSJXWQRZ-UHFFFAOYSA-N 2 2 238.379 2.071 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336782412 386643716 /nfs/dbraw/zinc/64/37/16/386643716.db2.gz XNSCLQXKKSYJFO-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000414803841 386606881 /nfs/dbraw/zinc/60/68/81/386606881.db2.gz OIIQMZODWZWVLX-LLVKDONJSA-N 2 2 242.725 2.306 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1c(F)cccc1F ZINC000414804758 386609934 /nfs/dbraw/zinc/60/99/34/386609934.db2.gz XUNOMSATWLYJBO-GFCCVEGCSA-N 2 2 228.286 2.038 20 0 BEADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091095 386611689 /nfs/dbraw/zinc/61/16/89/386611689.db2.gz BOOAQAHTUOMMRD-IHRRRGAJSA-N 2 2 242.407 2.025 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414821923 386671437 /nfs/dbraw/zinc/67/14/37/386671437.db2.gz FRRQRCNUQVXXDD-UHFFFAOYSA-N 2 2 238.278 2.076 20 0 BEADLP C[NH2+]CC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000414824056 386680918 /nfs/dbraw/zinc/68/09/18/386680918.db2.gz JRSDJRNQIKXPKH-UHFFFAOYSA-N 2 2 226.751 2.266 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414927060 386690052 /nfs/dbraw/zinc/69/00/52/386690052.db2.gz LUJSCSZBFXYRDN-UKRRQHHQSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414927588 386692053 /nfs/dbraw/zinc/69/20/53/386692053.db2.gz LPVKOOBRAPTBQK-LLVKDONJSA-N 2 2 230.311 2.383 20 0 BEADLP Cc1ccc(CCCN2C[C@@H](C)[NH2+]C[C@@H]2C)c[nH+]1 ZINC000340687590 386695204 /nfs/dbraw/zinc/69/52/04/386695204.db2.gz BWMCGEQSOMIVLR-KGLIPLIRSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCCN2C[C@@H](C)[NH2+]C[C@H]2C)c[nH+]1 ZINC000340687595 386696596 /nfs/dbraw/zinc/69/65/96/386696596.db2.gz BWMCGEQSOMIVLR-ZIAGYGMSSA-N 2 2 247.386 2.005 20 0 BEADLP [NH3+][C@H](C[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000414828005 386697911 /nfs/dbraw/zinc/69/79/11/386697911.db2.gz IEKOMMHSQAJJHF-QWHCGFSZSA-N 2 2 236.384 2.172 20 0 BEADLP c1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000043326575 386702059 /nfs/dbraw/zinc/70/20/59/386702059.db2.gz BRRBWMHXGDTDKQ-GJZGRUSLSA-N 2 2 230.355 2.479 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1c(C)oc2ccccc21 ZINC000414828864 386703058 /nfs/dbraw/zinc/70/30/58/386703058.db2.gz LHOCDBXTABTITP-UHFFFAOYSA-N 2 2 232.327 2.440 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@H]1C)[NH+](C)C ZINC000268848808 386705272 /nfs/dbraw/zinc/70/52/72/386705272.db2.gz GUPCLOXJMYWLPB-XUJVJEKNSA-N 2 2 232.371 2.460 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1F ZINC000414836339 386720609 /nfs/dbraw/zinc/72/06/09/386720609.db2.gz IMYDOUSFWBDSCC-GFCCVEGCSA-N 2 2 224.323 2.289 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000414832948 386720825 /nfs/dbraw/zinc/72/08/25/386720825.db2.gz RQYZJOIEFFCOFL-UHFFFAOYSA-N 2 2 246.276 2.323 20 0 BEADLP COc1ccccc1C[NH2+][C@H](C[NH3+])CC(C)C ZINC000414832909 386721472 /nfs/dbraw/zinc/72/14/72/386721472.db2.gz FEZRASLTRRQMFU-ZDUSSCGKSA-N 2 2 236.359 2.158 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000414835631 386728074 /nfs/dbraw/zinc/72/80/74/386728074.db2.gz VIGPABMNWONKOI-UHFFFAOYSA-N 2 2 236.359 2.030 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cscn1)C1CCCCC1 ZINC000414842165 386747837 /nfs/dbraw/zinc/74/78/37/386747837.db2.gz NYJPKWVMXCBZAZ-LBPRGKRZSA-N 2 2 239.388 2.140 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000394957606 386759773 /nfs/dbraw/zinc/75/97/73/386759773.db2.gz BYPXECMSKFILMK-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000394957606 386759777 /nfs/dbraw/zinc/75/97/77/386759777.db2.gz BYPXECMSKFILMK-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[NH2+][C@H](C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414497904 386742897 /nfs/dbraw/zinc/74/28/97/386742897.db2.gz VCSLWUAPHNYABZ-ZJUUUORDSA-N 2 2 240.351 2.176 20 0 BEADLP CCc1ncc(C[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000414838970 386743282 /nfs/dbraw/zinc/74/32/82/386743282.db2.gz LDSBIOPCUDROGE-JTQLQIEISA-N 2 2 241.404 2.169 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1OCC ZINC000414934064 386793654 /nfs/dbraw/zinc/79/36/54/386793654.db2.gz AEOIJQBLWWUYAE-GFCCVEGCSA-N 2 2 236.359 2.173 20 0 BEADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336672828 386821283 /nfs/dbraw/zinc/82/12/83/386821283.db2.gz ODKNJLPGLSDVGM-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@H](CSC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336762003 386800607 /nfs/dbraw/zinc/80/06/07/386800607.db2.gz NIPZYGBEDSQWKQ-UTUOFQBUSA-N 2 2 230.421 2.058 20 0 BEADLP CC[C@H](CSC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336762003 386800611 /nfs/dbraw/zinc/80/06/11/386800611.db2.gz NIPZYGBEDSQWKQ-UTUOFQBUSA-N 2 2 230.421 2.058 20 0 BEADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCC2 ZINC000334786500 386846900 /nfs/dbraw/zinc/84/69/00/386846900.db2.gz SQZXTUSDACWGGW-TZMCWYRMSA-N 2 2 234.318 2.155 20 0 BEADLP Cn1c[nH+]c(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000645185895 386850625 /nfs/dbraw/zinc/85/06/25/386850625.db2.gz DBYZAELIBSDVQG-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP CCCCOc1ccccc1C[NH2+][C@H](C)C[NH3+] ZINC000414938730 386855099 /nfs/dbraw/zinc/85/50/99/386855099.db2.gz XWRPGHMEXAWTTE-GFCCVEGCSA-N 2 2 236.359 2.302 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000414938916 386866927 /nfs/dbraw/zinc/86/69/27/386866927.db2.gz WLMVBKQGUSHQKX-DOMZBBRYSA-N 2 2 232.371 2.391 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CC[C@H]1SC)[NH+]1CCCC1 ZINC000425350785 386871140 /nfs/dbraw/zinc/87/11/40/386871140.db2.gz GCVHDBDYQLHDFS-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CC[C@@H]1SC)[NH+]1CCCC1 ZINC000425350787 386871172 /nfs/dbraw/zinc/87/11/72/386871172.db2.gz GCVHDBDYQLHDFS-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336744931 386883488 /nfs/dbraw/zinc/88/34/88/386883488.db2.gz AUQBULVFYCILTF-NTZNESFSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336744931 386883492 /nfs/dbraw/zinc/88/34/92/386883492.db2.gz AUQBULVFYCILTF-NTZNESFSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@@H](C)[NH+]1Cc1cccc2[nH+]ccn21 ZINC000334843010 386888704 /nfs/dbraw/zinc/88/87/04/386888704.db2.gz QUDGRGUUACROPD-GHMZBOCLSA-N 2 2 215.300 2.317 20 0 BEADLP C[C@H]1C[C@H](C)[NH+]1Cc1cccc2[nH+]ccn21 ZINC000334843012 386890963 /nfs/dbraw/zinc/89/09/63/386890963.db2.gz QUDGRGUUACROPD-QWRGUYRKSA-N 2 2 215.300 2.317 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000334863239 386917903 /nfs/dbraw/zinc/91/79/03/386917903.db2.gz LWCUYTWXUDDNLO-SCZZXKLOSA-N 2 2 244.791 2.489 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1C ZINC000334850133 386898673 /nfs/dbraw/zinc/89/86/73/386898673.db2.gz SJGGNUADTJJUPV-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334864477 386919863 /nfs/dbraw/zinc/91/98/63/386919863.db2.gz GCJYLCXWBALUQP-BXUZGUMPSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358390332 386946940 /nfs/dbraw/zinc/94/69/40/386946940.db2.gz BXJZLSAGVJSFHN-BZPMIXESSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358390332 386946946 /nfs/dbraw/zinc/94/69/46/386946946.db2.gz BXJZLSAGVJSFHN-BZPMIXESSA-N 2 2 236.359 2.140 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000334869899 386930402 /nfs/dbraw/zinc/93/04/02/386930402.db2.gz QEWPIKMJBOZOSH-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000334869899 386930404 /nfs/dbraw/zinc/93/04/04/386930404.db2.gz QEWPIKMJBOZOSH-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334869926 386930954 /nfs/dbraw/zinc/93/09/54/386930954.db2.gz QWWFKWOCXFIBFE-NSHDSACASA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334869926 386930960 /nfs/dbraw/zinc/93/09/60/386930960.db2.gz QWWFKWOCXFIBFE-NSHDSACASA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000336762671 386932358 /nfs/dbraw/zinc/93/23/58/386932358.db2.gz OIWXDWSCVBSQJO-CYBMUJFWSA-N 2 2 208.349 2.003 20 0 BEADLP C([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000336762671 386932364 /nfs/dbraw/zinc/93/23/64/386932364.db2.gz OIWXDWSCVBSQJO-CYBMUJFWSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccoc1 ZINC000368100618 386940575 /nfs/dbraw/zinc/94/05/75/386940575.db2.gz IIZNPCHDOGQLQC-KOLCDFICSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccoc1 ZINC000368100618 386940580 /nfs/dbraw/zinc/94/05/80/386940580.db2.gz IIZNPCHDOGQLQC-KOLCDFICSA-N 2 2 231.299 2.211 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000425351653 386961653 /nfs/dbraw/zinc/96/16/53/386961653.db2.gz MECHPFIEYDXOKN-STQMWFEESA-N 2 2 236.384 2.416 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000425354277 386964279 /nfs/dbraw/zinc/96/42/79/386964279.db2.gz JRHVCQNLQJIUHT-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000336763188 386951402 /nfs/dbraw/zinc/95/14/02/386951402.db2.gz OPNLVIGTBDFAIA-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP CCSCC[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000336763188 386951407 /nfs/dbraw/zinc/95/14/07/386951407.db2.gz OPNLVIGTBDFAIA-GFCCVEGCSA-N 2 2 230.421 2.204 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499609 387066921 /nfs/dbraw/zinc/06/69/21/387066921.db2.gz VAKTZXPOJQUTHS-INIZCTEOSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499609 387066923 /nfs/dbraw/zinc/06/69/23/387066923.db2.gz VAKTZXPOJQUTHS-INIZCTEOSA-N 2 2 244.382 2.359 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000126818662 387058754 /nfs/dbraw/zinc/05/87/54/387058754.db2.gz NXTFQYOMJFYCBF-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000126818662 387058756 /nfs/dbraw/zinc/05/87/56/387058756.db2.gz NXTFQYOMJFYCBF-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP [NH3+]CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486098 387061429 /nfs/dbraw/zinc/06/14/29/387061429.db2.gz DASSIWZMULMQSG-UHFFFAOYSA-N 2 2 233.237 2.251 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945176 387017395 /nfs/dbraw/zinc/01/73/95/387017395.db2.gz NMTVSYAANJZJCM-TZMCWYRMSA-N 2 2 230.355 2.215 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945176 387017396 /nfs/dbraw/zinc/01/73/96/387017396.db2.gz NMTVSYAANJZJCM-TZMCWYRMSA-N 2 2 230.355 2.215 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000425364800 387021471 /nfs/dbraw/zinc/02/14/71/387021471.db2.gz XROVSECHJTUTSW-RWMBFGLXSA-N 2 2 244.448 2.446 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000425364801 387021748 /nfs/dbraw/zinc/02/17/48/387021748.db2.gz XROVSECHJTUTSW-YNEHKIRRSA-N 2 2 244.448 2.446 20 0 BEADLP Cc1nc(N[C@@H](C)C[NH+]2CCCCCC2)cc[nH+]1 ZINC000185963750 387070372 /nfs/dbraw/zinc/07/03/72/387070372.db2.gz ODKRLAVNXMDIJY-LBPRGKRZSA-N 2 2 248.374 2.461 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000111380969 387076880 /nfs/dbraw/zinc/07/68/80/387076880.db2.gz RXOCPNXBBGUSTP-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000111380969 387076886 /nfs/dbraw/zinc/07/68/86/387076886.db2.gz RXOCPNXBBGUSTP-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000334991216 387080361 /nfs/dbraw/zinc/08/03/61/387080361.db2.gz BZJYMACJTOVLQW-TZMCWYRMSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000334991216 387080363 /nfs/dbraw/zinc/08/03/63/387080363.db2.gz BZJYMACJTOVLQW-TZMCWYRMSA-N 2 2 249.358 2.120 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000423298855 387130637 /nfs/dbraw/zinc/13/06/37/387130637.db2.gz OZPONGSRSZRMIS-UWVGGRQHSA-N 2 2 227.377 2.311 20 0 BEADLP C[N@H+](Cc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000071311515 387103015 /nfs/dbraw/zinc/10/30/15/387103015.db2.gz SVCJXSOAYHITRE-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000071311515 387103019 /nfs/dbraw/zinc/10/30/19/387103019.db2.gz SVCJXSOAYHITRE-CQSZACIVSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CCCCC1 ZINC000335007562 387103401 /nfs/dbraw/zinc/10/34/01/387103401.db2.gz QPWHZLYSWWYNID-WCQYABFASA-N 2 2 208.349 2.074 20 0 BEADLP [NH3+]C1(C[NH2+][C@H]2CCCc3occc32)CCC1 ZINC000335024507 387116421 /nfs/dbraw/zinc/11/64/21/387116421.db2.gz PIROUWGKGCXQDS-NSHDSACASA-N 2 2 220.316 2.128 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335030251 387124450 /nfs/dbraw/zinc/12/44/50/387124450.db2.gz AQXGSUUKHIWLAH-OCCSQVGLSA-N 2 2 234.318 2.155 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000370590560 387129830 /nfs/dbraw/zinc/12/98/30/387129830.db2.gz WYJREKFIHYRVOI-HIFRSBDPSA-N 2 2 247.386 2.259 20 0 BEADLP CCc1nc2c(s1)[C@H]([NH2+][C@H](C)C[NH3+])CCC2 ZINC000423316927 387156062 /nfs/dbraw/zinc/15/60/62/387156062.db2.gz BQZWONDSYVMFHK-RKDXNWHRSA-N 2 2 239.388 2.020 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423315840 387157635 /nfs/dbraw/zinc/15/76/35/387157635.db2.gz BBNCJDQMYLBJTC-LLVKDONJSA-N 2 2 234.343 2.227 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423323259 387167455 /nfs/dbraw/zinc/16/74/55/387167455.db2.gz OTHPXDJWBSKPOU-GXFFZTMASA-N 2 2 234.343 2.083 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423328333 387169912 /nfs/dbraw/zinc/16/99/12/387169912.db2.gz NZEJGGLTTQYNCD-GHMZBOCLSA-N 2 2 229.327 2.233 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423328309 387171090 /nfs/dbraw/zinc/17/10/90/387171090.db2.gz NYPYROCPFZGMPL-HTQZYQBOSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)cc(F)c1 ZINC000423331367 387174736 /nfs/dbraw/zinc/17/47/36/387174736.db2.gz QCWUIHNVAITEIL-SECBINFHSA-N 2 2 240.297 2.497 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423331885 387177902 /nfs/dbraw/zinc/17/79/02/387177902.db2.gz NDCZDZQRZFWPNV-IUODEOHRSA-N 2 2 248.370 2.061 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])s1 ZINC000423331980 387178294 /nfs/dbraw/zinc/17/82/94/387178294.db2.gz QOQNKXBPHPUIBP-HTQZYQBOSA-N 2 2 227.377 2.012 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)C1CCCCC1 ZINC000423333831 387180381 /nfs/dbraw/zinc/18/03/81/387180381.db2.gz WBNCVMZAKWTSHH-CQSZACIVSA-N 2 2 242.407 2.171 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)no1 ZINC000423335515 387184521 /nfs/dbraw/zinc/18/45/21/387184521.db2.gz IZSMOPVJGDFPFZ-DGCLKSJQSA-N 2 2 237.347 2.023 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C[C@@H]2CCCO2)c[nH+]1 ZINC000353363838 387187359 /nfs/dbraw/zinc/18/73/59/387187359.db2.gz NCJFOXHKWCONQS-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C[C@@H]2CCCO2)c[nH+]1 ZINC000353363838 387187364 /nfs/dbraw/zinc/18/73/64/387187364.db2.gz NCJFOXHKWCONQS-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423340849 387190736 /nfs/dbraw/zinc/19/07/36/387190736.db2.gz XRWTYIKFBWWEJH-RKDXNWHRSA-N 2 2 242.750 2.346 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cncc(F)c1 ZINC000423301467 387133971 /nfs/dbraw/zinc/13/39/71/387133971.db2.gz TVEKAFJFEKTAMZ-MFKMUULPSA-N 2 2 239.338 2.389 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccn1 ZINC000423304276 387136335 /nfs/dbraw/zinc/13/63/35/387136335.db2.gz YHBOFIUVZWUCEK-NWDGAFQWSA-N 2 2 221.348 2.250 20 0 BEADLP Cl/C=C/C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370733900 387137945 /nfs/dbraw/zinc/13/79/45/387137945.db2.gz SOLHSAICXCQBER-DAFODLJHSA-N 2 2 225.723 2.342 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccco1 ZINC000423304563 387139155 /nfs/dbraw/zinc/13/91/55/387139155.db2.gz YZJHUGRANWZOPP-GHMZBOCLSA-N 2 2 210.321 2.448 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccco1 ZINC000423304566 387140089 /nfs/dbraw/zinc/14/00/89/387140089.db2.gz YZJHUGRANWZOPP-WDEREUQCSA-N 2 2 210.321 2.448 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423357963 387210884 /nfs/dbraw/zinc/21/08/84/387210884.db2.gz MSPMUCDUUJXQJL-LNSITVRQSA-N 2 2 230.355 2.262 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(F)cc1F ZINC000423359562 387211179 /nfs/dbraw/zinc/21/11/79/387211179.db2.gz DEFZMNZIVKDSFZ-QPUJVOFHSA-N 2 2 228.286 2.353 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423363482 387215874 /nfs/dbraw/zinc/21/58/74/387215874.db2.gz JDKRCSOMMPYVHY-BQBZGAKWSA-N 2 2 232.249 2.102 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000423363251 387216785 /nfs/dbraw/zinc/21/67/85/387216785.db2.gz NUBVYRQTAKOICP-NTZNESFSSA-N 2 2 236.359 2.491 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423369182 387220314 /nfs/dbraw/zinc/22/03/14/387220314.db2.gz SOMNCQPNKQDWIX-OBJOEFQTSA-N 2 2 218.344 2.335 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423368570 387220331 /nfs/dbraw/zinc/22/03/31/387220331.db2.gz BECLGMHCLDJPEH-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP CCc1[nH+]ccn1CCC[NH+]1CCCCC1 ZINC000187697111 387223345 /nfs/dbraw/zinc/22/33/45/387223345.db2.gz GROSEFMGZNCBTC-UHFFFAOYSA-N 2 2 221.348 2.322 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000336396225 387224686 /nfs/dbraw/zinc/22/46/86/387224686.db2.gz GOBSMCJOILXTSW-NXEZZACHSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000336396225 387224689 /nfs/dbraw/zinc/22/46/89/387224689.db2.gz GOBSMCJOILXTSW-NXEZZACHSA-N 2 2 231.299 2.211 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000423325374 387229178 /nfs/dbraw/zinc/22/91/78/387229178.db2.gz IOUXACXUCGLRHI-KGLIPLIRSA-N 2 2 242.407 2.027 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cs1 ZINC000423408288 387243275 /nfs/dbraw/zinc/24/32/75/387243275.db2.gz XEWKTJCQVFVAPT-ATZCPNFKSA-N 2 2 239.388 2.100 20 0 BEADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C(C)C)cc1 ZINC000423344884 387195661 /nfs/dbraw/zinc/19/56/61/387195661.db2.gz XEFSWEOHIZBYIO-CABCVRRESA-N 2 2 248.370 2.139 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1ccsc1 ZINC000423347231 387197959 /nfs/dbraw/zinc/19/79/59/387197959.db2.gz ZXPBJNXOIJDMBW-GFCCVEGCSA-N 2 2 242.388 2.025 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccccc1 ZINC000058839859 387200349 /nfs/dbraw/zinc/20/03/49/387200349.db2.gz HIPFETZJSLFJLW-GFCCVEGCSA-N 2 2 206.333 2.337 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccccc1OC ZINC000423464198 387312612 /nfs/dbraw/zinc/31/26/12/387312612.db2.gz LXZCOIYIUUFWEN-DGCLKSJQSA-N 2 2 236.359 2.473 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000423467088 387315606 /nfs/dbraw/zinc/31/56/06/387315606.db2.gz NXRMQMHDWRYEPX-YPMHNXCESA-N 2 2 239.338 2.245 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423375594 387257529 /nfs/dbraw/zinc/25/75/29/387257529.db2.gz UGHCKLDILHPAPF-QWRGUYRKSA-N 2 2 229.327 2.233 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423378791 387260825 /nfs/dbraw/zinc/26/08/25/387260825.db2.gz ZXLNMEQNBHEEKL-DYEKYZERSA-N 2 2 233.359 2.039 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cn1 ZINC000423387302 387271999 /nfs/dbraw/zinc/27/19/99/387271999.db2.gz RXWAGRWTMCZMPV-CKYFFXLPSA-N 2 2 237.322 2.012 20 0 BEADLP C[NH2+]CCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000643498409 387277860 /nfs/dbraw/zinc/27/78/60/387277860.db2.gz ZTOPADWFTVDHSL-MRVPVSSYSA-N 2 2 227.377 2.020 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000120995812 387287262 /nfs/dbraw/zinc/28/72/62/387287262.db2.gz ZSCPKMRMFLDRJM-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000120995812 387287266 /nfs/dbraw/zinc/28/72/66/387287266.db2.gz ZSCPKMRMFLDRJM-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000423439214 387288491 /nfs/dbraw/zinc/28/84/91/387288491.db2.gz HRQRRMPOWXBEPT-YVZVNANGSA-N 2 2 240.297 2.277 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423441215 387291154 /nfs/dbraw/zinc/29/11/54/387291154.db2.gz BCAZLEUUGYFZEG-UWVGGRQHSA-N 2 2 240.322 2.222 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423449532 387297280 /nfs/dbraw/zinc/29/72/80/387297280.db2.gz RTKVKEAIIPWCMK-TUAOUCFPSA-N 2 2 236.359 2.472 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(F)cn1 ZINC000423449537 387298297 /nfs/dbraw/zinc/29/82/97/387298297.db2.gz RTSWVZFSSMCKTI-KWBADKCTSA-N 2 2 239.338 2.243 20 0 BEADLP CC(C)C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccn1 ZINC000423453412 387301542 /nfs/dbraw/zinc/30/15/42/387301542.db2.gz XKVYDMFITYCBBK-SCRDCRAPSA-N 2 2 235.375 2.494 20 0 BEADLP c1coc(CC[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000354273168 387354364 /nfs/dbraw/zinc/35/43/64/387354364.db2.gz RWRSPSKRNLXXCN-UHFFFAOYSA-N 2 2 241.294 2.260 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cncs1 ZINC000423526919 387354709 /nfs/dbraw/zinc/35/47/09/387354709.db2.gz LWVPKRUFKMCPKV-ONGXEEELSA-N 2 2 239.388 2.311 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000643501439 387354988 /nfs/dbraw/zinc/35/49/88/387354988.db2.gz GRWFNPRWGUFGSI-MWLCHTKSSA-N 2 2 239.388 2.244 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cncs1 ZINC000423526917 387355730 /nfs/dbraw/zinc/35/57/30/387355730.db2.gz LWVPKRUFKMCPKV-KOLCDFICSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648584067 387359190 /nfs/dbraw/zinc/35/91/90/387359190.db2.gz JRQNDRDPLCLFHR-BBRMVZONSA-N 2 2 246.398 2.474 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000321522108 387384732 /nfs/dbraw/zinc/38/47/32/387384732.db2.gz OGDFZTZLYYITNP-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@H](COC)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354421565 387375100 /nfs/dbraw/zinc/37/51/00/387375100.db2.gz RPGRLMQDFXKXOQ-CQSZACIVSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000336501070 387327545 /nfs/dbraw/zinc/32/75/45/387327545.db2.gz OJAOFZHUAVLAHZ-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000336501070 387327548 /nfs/dbraw/zinc/32/75/48/387327548.db2.gz OJAOFZHUAVLAHZ-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000423479008 387327595 /nfs/dbraw/zinc/32/75/95/387327595.db2.gz VBJICBXHJLOVQS-ZWNOBZJWSA-N 2 2 249.358 2.033 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423484060 387329011 /nfs/dbraw/zinc/32/90/11/387329011.db2.gz YHSFJTZDGKLYFD-PSASIEDQSA-N 2 2 227.739 2.123 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000423483177 387329376 /nfs/dbraw/zinc/32/93/76/387329376.db2.gz SDBFHBNAXBUFIB-IUODEOHRSA-N 2 2 247.386 2.007 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(N)c2)C1 ZINC000423483177 387329381 /nfs/dbraw/zinc/32/93/81/387329381.db2.gz SDBFHBNAXBUFIB-IUODEOHRSA-N 2 2 247.386 2.007 20 0 BEADLP COC(C)(C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354488337 387382955 /nfs/dbraw/zinc/38/29/55/387382955.db2.gz AOXAPSQMKYOGNO-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000515069879 387332558 /nfs/dbraw/zinc/33/25/58/387332558.db2.gz RCKJLFDNPSPMLL-GFCCVEGCSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000515069879 387332563 /nfs/dbraw/zinc/33/25/63/387332563.db2.gz RCKJLFDNPSPMLL-GFCCVEGCSA-N 2 2 235.375 2.473 20 0 BEADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000354123685 387334805 /nfs/dbraw/zinc/33/48/05/387334805.db2.gz BAYNQXJWBYOUEV-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000354123685 387334809 /nfs/dbraw/zinc/33/48/09/387334809.db2.gz BAYNQXJWBYOUEV-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1C[C@@H]1C ZINC000321972591 387340024 /nfs/dbraw/zinc/34/00/24/387340024.db2.gz BBVDICZXIZGCIY-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1C[C@@H]1C ZINC000321972591 387340028 /nfs/dbraw/zinc/34/00/28/387340028.db2.gz BBVDICZXIZGCIY-CYDGBPFRSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nccs1 ZINC000423503086 387342282 /nfs/dbraw/zinc/34/22/82/387342282.db2.gz MLQCWBWPLOGKEW-KOLCDFICSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000309805230 387344220 /nfs/dbraw/zinc/34/42/20/387344220.db2.gz RZQZBFHRVDTBAH-JQWIXIFHSA-N 2 2 220.360 2.144 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000309805230 387344224 /nfs/dbraw/zinc/34/42/24/387344224.db2.gz RZQZBFHRVDTBAH-JQWIXIFHSA-N 2 2 220.360 2.144 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000354750980 387427546 /nfs/dbraw/zinc/42/75/46/387427546.db2.gz XAFLVTKPUJQMRD-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](O)CC1 ZINC000354750980 387427550 /nfs/dbraw/zinc/42/75/50/387427550.db2.gz XAFLVTKPUJQMRD-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506397 387459363 /nfs/dbraw/zinc/45/93/63/387459363.db2.gz UYPNYARXLWKWSV-LBPRGKRZSA-N 2 2 248.370 2.406 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)CCCO)c[nH+]1 ZINC000354510684 387388227 /nfs/dbraw/zinc/38/82/27/387388227.db2.gz LWRSSEMFZOCJKS-GFCCVEGCSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CO2 ZINC000643467365 387397667 /nfs/dbraw/zinc/39/76/67/387397667.db2.gz NQHAANNIKOHYSH-BNOWGMLFSA-N 2 2 246.354 2.159 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506411 387460385 /nfs/dbraw/zinc/46/03/85/387460385.db2.gz VZMSGWSXYLDISG-CQSZACIVSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643506358 387460441 /nfs/dbraw/zinc/46/04/41/387460441.db2.gz SUGZJZGCIGBETE-GFCCVEGCSA-N 2 2 218.344 2.398 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCOC1 ZINC000361235797 387419825 /nfs/dbraw/zinc/41/98/25/387419825.db2.gz FQXILKREELGRNN-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCOC1 ZINC000361235797 387419829 /nfs/dbraw/zinc/41/98/29/387419829.db2.gz FQXILKREELGRNN-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@H](CC1CC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375270700 387520987 /nfs/dbraw/zinc/52/09/87/387520987.db2.gz WPBNIGVHOCPQGN-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccncc1 ZINC000361762394 387531117 /nfs/dbraw/zinc/53/11/17/387531117.db2.gz CYRFDIZIJKIAFB-XBFCOCLRSA-N 2 2 233.359 2.072 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccncc1 ZINC000361762394 387531120 /nfs/dbraw/zinc/53/11/20/387531120.db2.gz CYRFDIZIJKIAFB-XBFCOCLRSA-N 2 2 233.359 2.072 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C[C@@H]2CCOC2)c[nH+]1 ZINC000361800725 387535433 /nfs/dbraw/zinc/53/54/33/387535433.db2.gz TXMVFRDRXSICCR-HNNXBMFYSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C[C@@H]2CCOC2)c[nH+]1 ZINC000361800725 387535437 /nfs/dbraw/zinc/53/54/37/387535437.db2.gz TXMVFRDRXSICCR-HNNXBMFYSA-N 2 2 248.370 2.291 20 0 BEADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(F)CC1 ZINC000527220174 387536540 /nfs/dbraw/zinc/53/65/40/387536540.db2.gz FUNFWDXEJJUQEY-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(F)CC1 ZINC000527220174 387536545 /nfs/dbraw/zinc/53/65/45/387536545.db2.gz FUNFWDXEJJUQEY-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(F)CC1 ZINC000527220174 387536550 /nfs/dbraw/zinc/53/65/50/387536550.db2.gz FUNFWDXEJJUQEY-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(F)CC1 ZINC000527220174 387536555 /nfs/dbraw/zinc/53/65/55/387536555.db2.gz FUNFWDXEJJUQEY-LBPRGKRZSA-N 2 2 228.355 2.295 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506088 387465581 /nfs/dbraw/zinc/46/55/81/387465581.db2.gz KBGZJRVAJCYREF-LBPRGKRZSA-N 2 2 236.384 2.467 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc2C1)[NH+](C)C ZINC000648498049 387467159 /nfs/dbraw/zinc/46/71/59/387467159.db2.gz GRHCOZMDMSATJI-CJNGLKHVSA-N 2 2 246.398 2.474 20 0 BEADLP CSC1(C[NH2+]CC2([NH+](C)C)CCC2)CCC1 ZINC000304360061 387469327 /nfs/dbraw/zinc/46/93/27/387469327.db2.gz YLWFRZWTRYKONL-UHFFFAOYSA-N 2 2 242.432 2.346 20 0 BEADLP c1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643506950 387473285 /nfs/dbraw/zinc/47/32/85/387473285.db2.gz NRPWUVUUEZYKSU-HNNXBMFYSA-N 2 2 230.355 2.479 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507109 387474225 /nfs/dbraw/zinc/47/42/25/387474225.db2.gz SKGHEZUJCYWLCX-ABAIWWIYSA-N 2 2 230.355 2.262 20 0 BEADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507255 387474756 /nfs/dbraw/zinc/47/47/56/387474756.db2.gz XGUVFXRYCRZNJM-AWEZNQCLSA-N 2 2 246.354 2.242 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507110 387474796 /nfs/dbraw/zinc/47/47/96/387474796.db2.gz SKGHEZUJCYWLCX-IAQYHMDHSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507112 387475462 /nfs/dbraw/zinc/47/54/62/387475462.db2.gz SKGHEZUJCYWLCX-XHDPSFHLSA-N 2 2 230.355 2.262 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396705139 387482799 /nfs/dbraw/zinc/48/27/99/387482799.db2.gz OHJXZJAGYQMIBQ-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1occc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000643472149 387483962 /nfs/dbraw/zinc/48/39/62/387483962.db2.gz ABPVZOIXJSYTFP-QWHCGFSZSA-N 2 2 222.332 2.338 20 0 BEADLP Fc1cncc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)c1 ZINC000643507393 387484691 /nfs/dbraw/zinc/48/46/91/387484691.db2.gz BNTBESYEOSMTSR-CQSZACIVSA-N 2 2 249.333 2.013 20 0 BEADLP Cc1occc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000643472150 387485470 /nfs/dbraw/zinc/48/54/70/387485470.db2.gz ABPVZOIXJSYTFP-STQMWFEESA-N 2 2 222.332 2.338 20 0 BEADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507464 387486943 /nfs/dbraw/zinc/48/69/43/387486943.db2.gz FOZILMKBCJJFOL-OAHLLOKOSA-N 2 2 245.370 2.275 20 0 BEADLP C[N@H+](CC[NH2+]CC1(F)CC1)Cc1ccccc1 ZINC000527519387 387592452 /nfs/dbraw/zinc/59/24/52/387592452.db2.gz BHTNURXPPLTWGB-UHFFFAOYSA-N 2 2 236.334 2.210 20 0 BEADLP C[N@@H+](CC[NH2+]CC1(F)CC1)Cc1ccccc1 ZINC000527519387 387592459 /nfs/dbraw/zinc/59/24/59/387592459.db2.gz BHTNURXPPLTWGB-UHFFFAOYSA-N 2 2 236.334 2.210 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cccnc21 ZINC000643511303 387593563 /nfs/dbraw/zinc/59/35/63/387593563.db2.gz XARJDLGSRZXKNC-UONOGXRCSA-N 2 2 247.386 2.422 20 0 BEADLP Cc1nc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)s1 ZINC000643512742 387595900 /nfs/dbraw/zinc/59/59/00/387595900.db2.gz WRBMMFBYUKSZAT-HQJQHLMTSA-N 2 2 239.388 2.148 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1c(F)cccc1F ZINC000422715638 387629093 /nfs/dbraw/zinc/62/90/93/387629093.db2.gz STGAPUXMEJTGQJ-DTWKUNHWSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1cccc(F)c1F)C1CC1 ZINC000430580132 387630671 /nfs/dbraw/zinc/63/06/71/387630671.db2.gz DMODZTGIZAJISW-CYBMUJFWSA-N 2 2 240.297 2.182 20 0 BEADLP CC(C)Oc1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422722362 387633412 /nfs/dbraw/zinc/63/34/12/387633412.db2.gz XKEVTVKOTLBKFL-KGLIPLIRSA-N 2 2 248.370 2.443 20 0 BEADLP CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422731708 387640736 /nfs/dbraw/zinc/64/07/36/387640736.db2.gz OBTFBJUTGVNFSH-CABCVRRESA-N 2 2 248.370 2.488 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422739499 387646005 /nfs/dbraw/zinc/64/60/05/387646005.db2.gz LOHWDTSVJNVNKW-STQMWFEESA-N 2 2 234.343 2.055 20 0 BEADLP CO[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745997 387648563 /nfs/dbraw/zinc/64/85/63/387648563.db2.gz YSBDBLDCHHFDCZ-SNPRPXQTSA-N 2 2 248.370 2.104 20 0 BEADLP CO[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422745999 387649842 /nfs/dbraw/zinc/64/98/42/387649842.db2.gz YSBDBLDCHHFDCZ-YUELXQCFSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422747834 387651002 /nfs/dbraw/zinc/65/10/02/387651002.db2.gz RAAYXRJCDJKHMO-YRGRVCCFSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000422747932 387652985 /nfs/dbraw/zinc/65/29/85/387652985.db2.gz RFADLXGOFYVZLI-DOMZBBRYSA-N 2 2 244.338 2.328 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672149 387653070 /nfs/dbraw/zinc/65/30/70/387653070.db2.gz CNSVTGWQRUFJND-DKDKVSGOSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672149 387653075 /nfs/dbraw/zinc/65/30/75/387653075.db2.gz CNSVTGWQRUFJND-DKDKVSGOSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671220 387653092 /nfs/dbraw/zinc/65/30/92/387653092.db2.gz VBPUGCIMEMWREO-UXOAXIEHSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671220 387653096 /nfs/dbraw/zinc/65/30/96/387653096.db2.gz VBPUGCIMEMWREO-UXOAXIEHSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1F ZINC000422748103 387653057 /nfs/dbraw/zinc/65/30/57/387653057.db2.gz RZGSADJSMLZMNE-DTWKUNHWSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)[N@H+](C)C1CC1 ZINC000527655987 387662014 /nfs/dbraw/zinc/66/20/14/387662014.db2.gz UETKAUVQRSLDPF-PKIAMQTDSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)[N@@H+](C)C1CC1 ZINC000527655987 387662018 /nfs/dbraw/zinc/66/20/18/387662018.db2.gz UETKAUVQRSLDPF-PKIAMQTDSA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@@H]([NH2+]Cc1scnc1C)[C@@H]1CCC[NH2+]1 ZINC000422743064 387689188 /nfs/dbraw/zinc/68/91/88/387689188.db2.gz QVWFUAXRXMWFRY-MNOVXSKESA-N 2 2 239.388 2.072 20 0 BEADLP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527753172 387692890 /nfs/dbraw/zinc/69/28/90/387692890.db2.gz QFDNJNGPTVNTQM-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP COC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527753172 387692893 /nfs/dbraw/zinc/69/28/93/387692893.db2.gz QFDNJNGPTVNTQM-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527847048 387753583 /nfs/dbraw/zinc/75/35/83/387753583.db2.gz NTFBAGNZJOQAEB-YNEHKIRRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527847048 387753588 /nfs/dbraw/zinc/75/35/88/387753588.db2.gz NTFBAGNZJOQAEB-YNEHKIRRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000440778962 387697835 /nfs/dbraw/zinc/69/78/35/387697835.db2.gz MEHXEORNZUWJOD-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000440778962 387697838 /nfs/dbraw/zinc/69/78/38/387697838.db2.gz MEHXEORNZUWJOD-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000440778962 387697842 /nfs/dbraw/zinc/69/78/42/387697842.db2.gz MEHXEORNZUWJOD-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000440778962 387697848 /nfs/dbraw/zinc/69/78/48/387697848.db2.gz MEHXEORNZUWJOD-VXGBXAGGSA-N 2 2 216.344 2.008 20 0 BEADLP COCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422803686 387701685 /nfs/dbraw/zinc/70/16/85/387701685.db2.gz GEPXCLMGISZWRU-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000367436681 387709345 /nfs/dbraw/zinc/70/93/45/387709345.db2.gz HAVVBLKZFUHBOP-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)n1 ZINC000643521091 387709691 /nfs/dbraw/zinc/70/96/91/387709691.db2.gz ANAIOLZHYPXLFJ-DGFSRKRXSA-N 2 2 247.386 2.347 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527788914 387714085 /nfs/dbraw/zinc/71/40/85/387714085.db2.gz MCDGTHXMMAFBHS-HZSPNIEDSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527788914 387714090 /nfs/dbraw/zinc/71/40/90/387714090.db2.gz MCDGTHXMMAFBHS-HZSPNIEDSA-N 2 2 222.376 2.273 20 0 BEADLP c1coc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127752829 387726739 /nfs/dbraw/zinc/72/67/39/387726739.db2.gz BUVRSUXJCSGOBW-UHFFFAOYSA-N 2 2 234.343 2.340 20 0 BEADLP c1cn(CCC[N@@H+]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000377589437 387730294 /nfs/dbraw/zinc/73/02/94/387730294.db2.gz GZBYFCVPFNWCOW-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CCC[N@H+]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000377589437 387730300 /nfs/dbraw/zinc/73/03/00/387730300.db2.gz GZBYFCVPFNWCOW-AWEZNQCLSA-N 2 2 233.359 2.395 20 0 BEADLP CC(C)(C)CC[N@@H+]1CC[NH+]2CCC1CC2 ZINC000377627298 387733250 /nfs/dbraw/zinc/73/32/50/387733250.db2.gz ORXSUFTYINQZOP-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)CC[N@H+]1CC[NH+]2CCC1CC2 ZINC000377627298 387733252 /nfs/dbraw/zinc/73/32/52/387733252.db2.gz ORXSUFTYINQZOP-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527873917 387766276 /nfs/dbraw/zinc/76/62/76/387766276.db2.gz WXXLXLSTUYIRSG-RFHZTLPTSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527873917 387766281 /nfs/dbraw/zinc/76/62/81/387766281.db2.gz WXXLXLSTUYIRSG-RFHZTLPTSA-N 2 2 234.387 2.247 20 0 BEADLP CC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(O)c1 ZINC000442646299 387811905 /nfs/dbraw/zinc/81/19/05/387811905.db2.gz GOIQORHMNMWVOO-GHMZBOCLSA-N 2 2 222.332 2.122 20 0 BEADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1cccc(O)c1 ZINC000442646299 387811912 /nfs/dbraw/zinc/81/19/12/387811912.db2.gz GOIQORHMNMWVOO-GHMZBOCLSA-N 2 2 222.332 2.122 20 0 BEADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528184 387768467 /nfs/dbraw/zinc/76/84/67/387768467.db2.gz FHHPLRPFQBRTOS-BDAKNGLRSA-N 2 2 242.750 2.346 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000643528856 387773035 /nfs/dbraw/zinc/77/30/35/387773035.db2.gz QFGAXCFGGRWANE-RQJHMYQMSA-N 2 2 232.249 2.102 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH3+])CCCO2 ZINC000643529342 387776672 /nfs/dbraw/zinc/77/66/72/387776672.db2.gz YUBFEXNHQSQNFV-YPMHNXCESA-N 2 2 234.343 2.146 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC12CC2 ZINC000527897103 387777186 /nfs/dbraw/zinc/77/71/86/387777186.db2.gz ZJOZYAVPFARDBU-VXGBXAGGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422926636 387780301 /nfs/dbraw/zinc/78/03/01/387780301.db2.gz XEMQCZPVBPDSAJ-BVUBDWEXSA-N 2 2 244.382 2.205 20 0 BEADLP CCN(CC)c1ccc(N[C@H]2CCC[C@H]2[NH3+])c[nH+]1 ZINC000422978971 387789738 /nfs/dbraw/zinc/78/97/38/387789738.db2.gz IIBGBUWBZOQAFB-OLZOCXBDSA-N 2 2 248.374 2.220 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2O)[C@@H]1CCC[NH2+]1 ZINC000422979447 387790208 /nfs/dbraw/zinc/79/02/08/387790208.db2.gz MUMGGMWOKDOREE-BPNCWPANSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422979771 387791677 /nfs/dbraw/zinc/79/16/77/387791677.db2.gz KEJMSEDSGMIEDH-NEPJUHHUSA-N 2 2 248.374 2.220 20 0 BEADLP CC(C)[N@@H+](Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000442649998 387811629 /nfs/dbraw/zinc/81/16/29/387811629.db2.gz ODGYRVMYMQNWTC-LLVKDONJSA-N 2 2 224.323 2.383 20 0 BEADLP CC(C)[N@H+](Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000442649998 387811634 /nfs/dbraw/zinc/81/16/34/387811634.db2.gz ODGYRVMYMQNWTC-LLVKDONJSA-N 2 2 224.323 2.383 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527854825 387758173 /nfs/dbraw/zinc/75/81/73/387758173.db2.gz XFKVLYIOXFTPQD-MGPQQGTHSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC12CC2 ZINC000527854825 387758180 /nfs/dbraw/zinc/75/81/80/387758180.db2.gz XFKVLYIOXFTPQD-MGPQQGTHSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1CC12CC2 ZINC000527856013 387758195 /nfs/dbraw/zinc/75/81/95/387758195.db2.gz ZPCZODSIHYGDLP-UONOGXRCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527861017 387759620 /nfs/dbraw/zinc/75/96/20/387759620.db2.gz ZMZLZOGOTFAHFJ-GVXVVHGQSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527861017 387759625 /nfs/dbraw/zinc/75/96/25/387759625.db2.gz ZMZLZOGOTFAHFJ-GVXVVHGQSA-N 2 2 220.360 2.001 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cc(C)ccc1OC ZINC000643527032 387760264 /nfs/dbraw/zinc/76/02/64/387760264.db2.gz BYAAWJNACQEVOT-DGCLKSJQSA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010212 387822570 /nfs/dbraw/zinc/82/25/70/387822570.db2.gz JGGOOTFJKKEOIK-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010212 387822574 /nfs/dbraw/zinc/82/25/74/387822574.db2.gz JGGOOTFJKKEOIK-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010208 387823784 /nfs/dbraw/zinc/82/37/84/387823784.db2.gz JGGOOTFJKKEOIK-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010208 387823788 /nfs/dbraw/zinc/82/37/88/387823788.db2.gz JGGOOTFJKKEOIK-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)[NH+](CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423003550 387825970 /nfs/dbraw/zinc/82/59/70/387825970.db2.gz HWCOTVPWYGAWOM-KGLIPLIRSA-N 3 2 243.439 2.211 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423016236 387839163 /nfs/dbraw/zinc/83/91/63/387839163.db2.gz SKRYVDXFQVOXOG-GJZGRUSLSA-N 3 2 247.386 2.182 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423016237 387839699 /nfs/dbraw/zinc/83/96/99/387839699.db2.gz SKRYVDXFQVOXOG-HUUCEWRRSA-N 3 2 247.386 2.182 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423051762 387859537 /nfs/dbraw/zinc/85/95/37/387859537.db2.gz OZDLEKZUIDHWCI-XHNCKOQMSA-N 2 2 224.270 2.057 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(F)cc1 ZINC000643535330 387862770 /nfs/dbraw/zinc/86/27/70/387862770.db2.gz BRVRUXDHANGXRB-ICCXJUOJSA-N 2 2 240.297 2.176 20 0 BEADLP CC[C@](C)([NH2+]C[C@@H](C)[NH3+])c1nc(C)cs1 ZINC000442654392 387814734 /nfs/dbraw/zinc/81/47/34/387814734.db2.gz BIEZZGFPAHVWMQ-KCJUWKMLSA-N 2 2 227.377 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000442663156 387816588 /nfs/dbraw/zinc/81/65/88/387816588.db2.gz IWIGSVWZPKMOCQ-UKRRQHHQSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000442663156 387816592 /nfs/dbraw/zinc/81/65/92/387816592.db2.gz IWIGSVWZPKMOCQ-UKRRQHHQSA-N 2 2 248.370 2.015 20 0 BEADLP COc1cccc([C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC000442667145 387819458 /nfs/dbraw/zinc/81/94/58/387819458.db2.gz YGJAXQUTODAHIU-FZMZJTMJSA-N 2 2 234.343 2.179 20 0 BEADLP COc1cccc([C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC000442667145 387819463 /nfs/dbraw/zinc/81/94/63/387819463.db2.gz YGJAXQUTODAHIU-FZMZJTMJSA-N 2 2 234.343 2.179 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000442665726 387819480 /nfs/dbraw/zinc/81/94/80/387819480.db2.gz QKBDQSJDMVGCPY-LLVKDONJSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000442665726 387819483 /nfs/dbraw/zinc/81/94/83/387819483.db2.gz QKBDQSJDMVGCPY-LLVKDONJSA-N 2 2 236.334 2.180 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)no1 ZINC000423105826 387890946 /nfs/dbraw/zinc/89/09/46/387890946.db2.gz CMNXUPQMUQHDQV-GRYCIOLGSA-N 2 2 237.347 2.022 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccsc1 ZINC000643537170 387875842 /nfs/dbraw/zinc/87/58/42/387875842.db2.gz AAFISSPZCBAZJG-MIMYLULJSA-N 2 2 228.336 2.099 20 0 BEADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538458 387876339 /nfs/dbraw/zinc/87/63/39/387876339.db2.gz KPNRPPOYZPWXMC-VOAKCMCISA-N 2 2 230.371 2.491 20 0 BEADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538457 387876453 /nfs/dbraw/zinc/87/64/53/387876453.db2.gz KPNRPPOYZPWXMC-RNJOBUHISA-N 2 2 230.371 2.491 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C(C)(C)C ZINC000643538816 387877223 /nfs/dbraw/zinc/87/72/23/387877223.db2.gz WTWRBYHPDYEMCT-SRVKXCTJSA-N 2 2 230.371 2.491 20 0 BEADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538736 387877778 /nfs/dbraw/zinc/87/77/78/387877778.db2.gz UBLIUVMETJNXNM-ZDEQEGDKSA-N 2 2 246.345 2.194 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538771 387877924 /nfs/dbraw/zinc/87/79/24/387877924.db2.gz UXSWAPMZYYTYIN-BJDJZHNGSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538634 387878724 /nfs/dbraw/zinc/87/87/24/387878724.db2.gz QGPHIIFRKARXIP-QNWJLWSRSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)[C@H](C)[NH3+] ZINC000643539858 387881822 /nfs/dbraw/zinc/88/18/22/387881822.db2.gz HAWQBWCTPTWSAV-DAROEXNTSA-N 2 2 240.297 2.277 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643540620 387881877 /nfs/dbraw/zinc/88/18/77/387881877.db2.gz YRKOZOBJLHPOSM-RNCFNFMXSA-N 2 2 240.297 2.279 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)[C@@H]1C[C@@H]1C ZINC000322077163 387882798 /nfs/dbraw/zinc/88/27/98/387882798.db2.gz UCRVGIUTEWZWIP-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000423135339 387913137 /nfs/dbraw/zinc/91/31/37/387913137.db2.gz NSZLFWKEXHCCMA-SFYZADRCSA-N 2 2 246.276 2.319 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)C ZINC000158135288 387921785 /nfs/dbraw/zinc/92/17/85/387921785.db2.gz SYTIVVAXZKWVPW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CCCC[NH2+]1 ZINC000423145463 387922289 /nfs/dbraw/zinc/92/22/89/387922289.db2.gz KSDWYZUYKYSVRO-WUHRBBMRSA-N 2 2 228.355 2.387 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)[C@H]1CCCC[NH2+]1 ZINC000423145461 387923047 /nfs/dbraw/zinc/92/30/47/387923047.db2.gz KSDWYZUYKYSVRO-UMSGYPCISA-N 2 2 228.355 2.387 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221161874 387928823 /nfs/dbraw/zinc/92/88/23/387928823.db2.gz ZHEOUBMGMBIZCR-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221161874 387928828 /nfs/dbraw/zinc/92/88/28/387928828.db2.gz ZHEOUBMGMBIZCR-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000221157064 387929060 /nfs/dbraw/zinc/92/90/60/387929060.db2.gz ZMTYGCMOWFDZBQ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000221157064 387929067 /nfs/dbraw/zinc/92/90/67/387929067.db2.gz ZMTYGCMOWFDZBQ-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@H](c1ccccn1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459394963 387937514 /nfs/dbraw/zinc/93/75/14/387937514.db2.gz SUGOUQIVCJGOGC-GFCCVEGCSA-N 2 2 244.342 2.051 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459394963 387937521 /nfs/dbraw/zinc/93/75/21/387937521.db2.gz SUGOUQIVCJGOGC-GFCCVEGCSA-N 2 2 244.342 2.051 20 0 BEADLP CC[C@H]([NH2+]Cc1cnccc1C)[C@@H]1CCC[NH2+]1 ZINC000423158431 387939514 /nfs/dbraw/zinc/93/95/14/387939514.db2.gz WTSDXGUALOPGQG-KBPBESRZSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070748162 134922942 /nfs/dbraw/zinc/92/29/42/134922942.db2.gz UIEXBWYODUZORN-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC[NH3+])c1 ZINC000423178782 387964708 /nfs/dbraw/zinc/96/47/08/387964708.db2.gz IOLJJSHQSUDIGH-VIFPVBQESA-N 2 2 244.285 2.206 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccccn1 ZINC000423180032 387966085 /nfs/dbraw/zinc/96/60/85/387966085.db2.gz NGNOXMXGRJFYJJ-LBPRGKRZSA-N 2 2 233.359 2.394 20 0 BEADLP CC[C@H]([NH2+]CC[NH3+])c1ccc(Cl)s1 ZINC000423179218 387966864 /nfs/dbraw/zinc/96/68/64/387966864.db2.gz JFPHCEPDRDDYOA-ZETCQYMHSA-N 2 2 218.753 2.401 20 0 BEADLP CC[C@@H]([NH2+]CC[NH3+])c1cc(Cl)ccc1OC ZINC000423184151 387969151 /nfs/dbraw/zinc/96/91/51/387969151.db2.gz NBJONNVOIWCXDB-LLVKDONJSA-N 2 2 242.750 2.348 20 0 BEADLP C[C@H]1CC[N@H+](CCCF)C[C@H]1n1cc[nH+]c1 ZINC000245748581 387979747 /nfs/dbraw/zinc/97/97/47/387979747.db2.gz YNOPWPZFEVILRH-NWDGAFQWSA-N 2 2 225.311 2.126 20 0 BEADLP C[C@H]1CC[N@@H+](CCCF)C[C@H]1n1cc[nH+]c1 ZINC000245748581 387979751 /nfs/dbraw/zinc/97/97/51/387979751.db2.gz YNOPWPZFEVILRH-NWDGAFQWSA-N 2 2 225.311 2.126 20 0 BEADLP CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cs1 ZINC000424339049 387980612 /nfs/dbraw/zinc/98/06/12/387980612.db2.gz VJGXZEXIWWAWMX-GHMZBOCLSA-N 2 2 239.388 2.065 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423195723 387980729 /nfs/dbraw/zinc/98/07/29/387980729.db2.gz YDXBAJAJCGOSCN-GFCCVEGCSA-N 2 2 241.338 2.358 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000423196188 387981362 /nfs/dbraw/zinc/98/13/62/387981362.db2.gz UTBRYLKIWFNNCB-ZFWWWQNUSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccc([C@H]([NH2+]CC[NH3+])C2CCCC2)o1 ZINC000423192947 387977383 /nfs/dbraw/zinc/97/73/83/387977383.db2.gz WAUSPMFPMXJCKY-CYBMUJFWSA-N 2 2 222.332 2.368 20 0 BEADLP Fc1cncc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423192985 387977688 /nfs/dbraw/zinc/97/76/88/387977688.db2.gz QLPQPKJXRSWUIR-ZIAGYGMSSA-N 2 2 249.333 2.013 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccncn1 ZINC000423201861 387987372 /nfs/dbraw/zinc/98/73/72/387987372.db2.gz PYSVNTRZZMZOAD-GFCCVEGCSA-N 2 2 248.374 2.179 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000423204951 387989236 /nfs/dbraw/zinc/98/92/36/387989236.db2.gz BBTMWALHROUXEE-GHMZBOCLSA-N 2 2 210.346 2.151 20 0 BEADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000423204184 387989408 /nfs/dbraw/zinc/98/94/08/387989408.db2.gz NXISEMWCIMPLJN-DZGCQCFKSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000423208420 387994060 /nfs/dbraw/zinc/99/40/60/387994060.db2.gz DYYHYDRGKFNHTL-VXGBXAGGSA-N 2 2 234.343 2.016 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424369081 387994355 /nfs/dbraw/zinc/99/43/55/387994355.db2.gz BBEOEHVYCLFBLC-RQJABVFESA-N 2 2 234.318 2.093 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423212515 387995125 /nfs/dbraw/zinc/99/51/25/387995125.db2.gz JRZZTOXQPXNDGK-QWHCGFSZSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197465 387982559 /nfs/dbraw/zinc/98/25/59/387982559.db2.gz ZNPGFDHRNHFRFM-WDBKCZKBSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1nocc1C[NH2+]CCc1cc[nH+]cc1C ZINC000293194468 387983490 /nfs/dbraw/zinc/98/34/90/387983490.db2.gz IEKWZULEMBIHBB-UHFFFAOYSA-N 2 2 231.299 2.019 20 0 BEADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423197487 387983605 /nfs/dbraw/zinc/98/36/05/387983605.db2.gz ZPBVZPWAJDIVPX-GXTWGEPZSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400503923 387984227 /nfs/dbraw/zinc/98/42/27/387984227.db2.gz CRZXLKJYSWINSP-RNCFNFMXSA-N 2 2 240.297 2.195 20 0 BEADLP CCC[C@@H]([NH2+]CC[N@H+](C)CCOC)C(C)(C)C ZINC000453099227 387984361 /nfs/dbraw/zinc/98/43/61/387984361.db2.gz WBCREVRJETVQKR-CYBMUJFWSA-N 2 2 244.423 2.369 20 0 BEADLP CCC[C@@H]([NH2+]CC[N@@H+](C)CCOC)C(C)(C)C ZINC000453099227 387984363 /nfs/dbraw/zinc/98/43/63/387984363.db2.gz WBCREVRJETVQKR-CYBMUJFWSA-N 2 2 244.423 2.369 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423197489 387984629 /nfs/dbraw/zinc/98/46/29/387984629.db2.gz ZPBVZPWAJDIVPX-OCCSQVGLSA-N 2 2 233.359 2.264 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000423217946 387999508 /nfs/dbraw/zinc/99/95/08/387999508.db2.gz SWGSOXITBAHGSF-UONOGXRCSA-N 2 2 218.344 2.398 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423222877 388003871 /nfs/dbraw/zinc/00/38/71/388003871.db2.gz DAPWQEDPZLICOC-CYBMUJFWSA-N 2 2 222.332 2.238 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]C)c1ccccc1 ZINC000423225619 388006857 /nfs/dbraw/zinc/00/68/57/388006857.db2.gz NMWYAJWNVWZBEL-CYBMUJFWSA-N 2 2 206.333 2.337 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000423226550 388008819 /nfs/dbraw/zinc/00/88/19/388008819.db2.gz RDSZNVGDVCKMTP-GFCCVEGCSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000423227472 388011180 /nfs/dbraw/zinc/01/11/80/388011180.db2.gz VYMAMUDEVPONCY-BXUZGUMPSA-N 2 2 218.344 2.037 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000423225811 388009816 /nfs/dbraw/zinc/00/98/16/388009816.db2.gz OIGFHIJASLKOOH-DGCLKSJQSA-N 2 2 218.344 2.352 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]C)c1ccc(OC)cc1 ZINC000423227369 388010587 /nfs/dbraw/zinc/01/05/87/388010587.db2.gz VKQQWLXINNWWKO-CQSZACIVSA-N 2 2 236.359 2.345 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000423227241 388010745 /nfs/dbraw/zinc/01/07/45/388010745.db2.gz VASQBKBGUHSMDH-NSHDSACASA-N 2 2 218.344 2.045 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000423227440 388011874 /nfs/dbraw/zinc/01/18/74/388011874.db2.gz VUDYRQQESPTQCI-AWEZNQCLSA-N 2 2 248.370 2.326 20 0 BEADLP C[NH+](C)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453214178 388011937 /nfs/dbraw/zinc/01/19/37/388011937.db2.gz DUUQFBQCBSYELV-ZDUSSCGKSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000423227441 388012060 /nfs/dbraw/zinc/01/20/60/388012060.db2.gz VUDYRQQESPTQCI-CQSZACIVSA-N 2 2 248.370 2.326 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C)c1cc(C)ccc1OC ZINC000423227121 388012239 /nfs/dbraw/zinc/01/22/39/388012239.db2.gz UNXCWKUHDYVPPE-ZDUSSCGKSA-N 2 2 236.359 2.264 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000423227920 388012899 /nfs/dbraw/zinc/01/28/99/388012899.db2.gz XMLWFFGPLBFOGD-GFCCVEGCSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423227990 388013295 /nfs/dbraw/zinc/01/32/95/388013295.db2.gz XUOXOSDZBHAWDU-ZETCQYMHSA-N 2 2 218.753 2.272 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000423228432 388013366 /nfs/dbraw/zinc/01/33/66/388013366.db2.gz ZPNIUCTWFCJRAH-SECBINFHSA-N 2 2 224.373 2.107 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000423243425 388025813 /nfs/dbraw/zinc/02/58/13/388025813.db2.gz WLGWWXSREMHLQQ-DZGCQCFKSA-N 2 2 248.370 2.488 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423227989 388013949 /nfs/dbraw/zinc/01/39/49/388013949.db2.gz XUOXOSDZBHAWDU-SSDOTTSWSA-N 2 2 218.753 2.272 20 0 BEADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230135 388014995 /nfs/dbraw/zinc/01/49/95/388014995.db2.gz CQESDWQPEAZDQU-SMDDNHRTSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1CCCOC1 ZINC000423233670 388018058 /nfs/dbraw/zinc/01/80/58/388018058.db2.gz DZSLOSJRUGGPGW-AEGPPILISA-N 2 2 248.370 2.091 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423235537 388018375 /nfs/dbraw/zinc/01/83/75/388018375.db2.gz NHCJQVFIXBKQFB-QWHCGFSZSA-N 2 2 248.370 2.406 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000423235430 388019618 /nfs/dbraw/zinc/01/96/18/388019618.db2.gz AXJVYAWNUZRTTP-GFCCVEGCSA-N 2 2 236.384 2.423 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000423243428 388026042 /nfs/dbraw/zinc/02/60/42/388026042.db2.gz WLGWWXSREMHLQQ-ZFWWWQNUSA-N 2 2 248.370 2.488 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1(C)CC1 ZINC000309681731 388021235 /nfs/dbraw/zinc/02/12/35/388021235.db2.gz ZQXJFDSDGZGGQH-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1(C)CC1 ZINC000309681731 388021238 /nfs/dbraw/zinc/02/12/38/388021238.db2.gz ZQXJFDSDGZGGQH-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237596 388021270 /nfs/dbraw/zinc/02/12/70/388021270.db2.gz PZHFFRPMUIGFLR-YPMHNXCESA-N 2 2 233.359 2.047 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423250441 388033134 /nfs/dbraw/zinc/03/31/34/388033134.db2.gz QFLUIWIIPZOQJX-KWCYVHTRSA-N 2 2 218.344 2.465 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000423250543 388033140 /nfs/dbraw/zinc/03/31/40/388033140.db2.gz UHFPIOAXQWPPRO-ZDUSSCGKSA-N 2 2 234.343 2.099 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cncs1 ZINC000423251135 388033428 /nfs/dbraw/zinc/03/34/28/388033428.db2.gz WEYMPEFNHSRYLM-JQWIXIFHSA-N 2 2 247.367 2.494 20 0 BEADLP Cc1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000082666808 388039248 /nfs/dbraw/zinc/03/92/48/388039248.db2.gz OKWVWHYOZRCULD-GFCCVEGCSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000082666808 388039249 /nfs/dbraw/zinc/03/92/49/388039249.db2.gz OKWVWHYOZRCULD-GFCCVEGCSA-N 2 2 239.388 2.025 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423262400 388040747 /nfs/dbraw/zinc/04/07/47/388040747.db2.gz MJFJEPVAIRWMKH-GXFFZTMASA-N 2 2 239.338 2.245 20 0 BEADLP COCC[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446850103 388042003 /nfs/dbraw/zinc/04/20/03/388042003.db2.gz VPFKCXAVGCFCHZ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446850103 388042008 /nfs/dbraw/zinc/04/20/08/388042008.db2.gz VPFKCXAVGCFCHZ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249146773 388042258 /nfs/dbraw/zinc/04/22/58/388042258.db2.gz WYJFFPBEGVOONI-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249146773 388042261 /nfs/dbraw/zinc/04/22/61/388042261.db2.gz WYJFFPBEGVOONI-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP COCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446850102 388042509 /nfs/dbraw/zinc/04/25/09/388042509.db2.gz VPFKCXAVGCFCHZ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446850102 388042511 /nfs/dbraw/zinc/04/25/11/388042511.db2.gz VPFKCXAVGCFCHZ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000423265269 388043795 /nfs/dbraw/zinc/04/37/95/388043795.db2.gz CSDYJYNPWDCPPK-NEPJUHHUSA-N 2 2 221.348 2.024 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000423245267 388027527 /nfs/dbraw/zinc/02/75/27/388027527.db2.gz MEMLYPAVGXZMLQ-DOMZBBRYSA-N 2 2 232.371 2.427 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423245102 388027616 /nfs/dbraw/zinc/02/76/16/388027616.db2.gz YDDJBZHARZKVLG-VHSXEESVSA-N 2 2 240.372 2.159 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423274692 388055758 /nfs/dbraw/zinc/05/57/58/388055758.db2.gz KUAAPSKHRKGADI-SDBXPKJASA-N 2 2 240.297 2.353 20 0 BEADLP Cc1ccc([C@@H]([NH2+][C@H](C)C[NH3+])C2CCC2)o1 ZINC000423325516 388064912 /nfs/dbraw/zinc/06/49/12/388064912.db2.gz LNAKDYJGZDQPOD-RNCFNFMXSA-N 2 2 222.332 2.366 20 0 BEADLP Cc1c([C@H](C)[NH2+]CC(C)(C)[NH3+])cnn1C(C)C ZINC000423282231 388064977 /nfs/dbraw/zinc/06/49/77/388064977.db2.gz CNCITJGSQNJBTH-JTQLQIEISA-N 2 2 238.379 2.160 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(F)cn1 ZINC000423285643 388070023 /nfs/dbraw/zinc/07/00/23/388070023.db2.gz ZMQJLVGNYLTCQV-NWDGAFQWSA-N 2 2 239.338 2.245 20 0 BEADLP CC(C)[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cn1 ZINC000423286684 388072025 /nfs/dbraw/zinc/07/20/25/388072025.db2.gz IDFKMZWAWJXJIK-GFCCVEGCSA-N 2 2 239.338 2.245 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccnc1 ZINC000423295839 388078070 /nfs/dbraw/zinc/07/80/70/388078070.db2.gz FVTMJIMLIFLYCA-AAEUAGOBSA-N 2 2 221.348 2.250 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1nccs1 ZINC000423297375 388079248 /nfs/dbraw/zinc/07/92/48/388079248.db2.gz KARMTQVSAWGIKR-UWVGGRQHSA-N 2 2 227.377 2.311 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453432754 388081951 /nfs/dbraw/zinc/08/19/51/388081951.db2.gz SGAKMQJZWPKWLO-ZYHUDNBSSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453432754 388081954 /nfs/dbraw/zinc/08/19/54/388081954.db2.gz SGAKMQJZWPKWLO-ZYHUDNBSSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000086471399 388103796 /nfs/dbraw/zinc/10/37/96/388103796.db2.gz RCXGXGMLJQBRKR-NEPJUHHUSA-N 2 2 248.374 2.095 20 0 BEADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727605 388107438 /nfs/dbraw/zinc/10/74/38/388107438.db2.gz PJPFBBYLJNYXFS-ZYHUDNBSSA-N 2 2 234.368 2.175 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000160982529 388108209 /nfs/dbraw/zinc/10/82/09/388108209.db2.gz RGULHKCAVOWEQG-ZDUSSCGKSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000160982529 388108211 /nfs/dbraw/zinc/10/82/11/388108211.db2.gz RGULHKCAVOWEQG-ZDUSSCGKSA-N 2 2 240.297 2.149 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cncs1 ZINC000423267092 388045088 /nfs/dbraw/zinc/04/50/88/388045088.db2.gz SOPDZPREVNBENQ-UWVGGRQHSA-N 2 2 227.377 2.167 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccn1 ZINC000423271836 388050652 /nfs/dbraw/zinc/05/06/52/388050652.db2.gz YFUCWNHEFOKOSJ-RYUDHWBXSA-N 2 2 221.348 2.106 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000449260211 388164148 /nfs/dbraw/zinc/16/41/48/388164148.db2.gz VIAWCKLWPRPJQL-STQMWFEESA-N 2 2 233.359 2.366 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000449267055 388164530 /nfs/dbraw/zinc/16/45/30/388164530.db2.gz XZXPUFASERERFS-LBPRGKRZSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCC[C@H]1C ZINC000449268958 388164560 /nfs/dbraw/zinc/16/45/60/388164560.db2.gz KPQQPPCHERMBRF-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000449267054 388164998 /nfs/dbraw/zinc/16/49/98/388164998.db2.gz XZXPUFASERERFS-GFCCVEGCSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCCC(C)(F)F)[C@@H](C)C1 ZINC000449351292 388178566 /nfs/dbraw/zinc/17/85/66/388178566.db2.gz OCVMXBAGNKHPII-QWRGUYRKSA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CCCC(C)(F)F)[C@@H](C)C1 ZINC000449351292 388178568 /nfs/dbraw/zinc/17/85/68/388178568.db2.gz OCVMXBAGNKHPII-QWRGUYRKSA-N 2 2 234.334 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000449355256 388180851 /nfs/dbraw/zinc/18/08/51/388180851.db2.gz XIFFKZJFDSJSDQ-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(C)(F)F ZINC000449355256 388180852 /nfs/dbraw/zinc/18/08/52/388180852.db2.gz XIFFKZJFDSJSDQ-GXSJLCMTSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000449374640 388185996 /nfs/dbraw/zinc/18/59/96/388185996.db2.gz BHCRHVPRIUHSPK-TZMCWYRMSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000449374640 388185998 /nfs/dbraw/zinc/18/59/98/388185998.db2.gz BHCRHVPRIUHSPK-TZMCWYRMSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1nocc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000646071550 388136863 /nfs/dbraw/zinc/13/68/63/388136863.db2.gz QTSXKCOKWCLGQA-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1nocc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000646071550 388136865 /nfs/dbraw/zinc/13/68/65/388136865.db2.gz QTSXKCOKWCLGQA-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449077649 388139952 /nfs/dbraw/zinc/13/99/52/388139952.db2.gz SIYXSRIZIYAVEY-NWDGAFQWSA-N 2 2 233.315 2.085 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CSC[C@@H]1C ZINC000449141449 388147927 /nfs/dbraw/zinc/14/79/27/388147927.db2.gz LMOTZGJGIISSBT-XQQFMLRXSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CSC[C@@H]1C ZINC000449141449 388147928 /nfs/dbraw/zinc/14/79/28/388147928.db2.gz LMOTZGJGIISSBT-XQQFMLRXSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165144478 388251203 /nfs/dbraw/zinc/25/12/03/388251203.db2.gz USFUYDGEGNVNLD-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389723 388192214 /nfs/dbraw/zinc/19/22/14/388192214.db2.gz TWISFTWZSMNQLG-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389723 388192215 /nfs/dbraw/zinc/19/22/15/388192215.db2.gz TWISFTWZSMNQLG-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313304745 256547163 /nfs/dbraw/zinc/54/71/63/256547163.db2.gz RUKCNKWUQQSTEP-YPMHNXCESA-N 2 2 235.375 2.377 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487330 388216829 /nfs/dbraw/zinc/21/68/29/388216829.db2.gz XYGNNPNLUKCKNB-WCQYABFASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000449487330 388216830 /nfs/dbraw/zinc/21/68/30/388216830.db2.gz XYGNNPNLUKCKNB-WCQYABFASA-N 2 2 224.392 2.352 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557183 388231480 /nfs/dbraw/zinc/23/14/80/388231480.db2.gz QERAUJYTRWBUGQ-KBPBESRZSA-N 2 2 234.387 2.466 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC000449558314 388232008 /nfs/dbraw/zinc/23/20/08/388232008.db2.gz WWUVNHBQUAPBAX-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000449558684 388232306 /nfs/dbraw/zinc/23/23/06/388232306.db2.gz ZHBDUWOAUUABNX-YNEHKIRRSA-N 2 2 212.381 2.351 20 0 BEADLP CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000164453270 388238619 /nfs/dbraw/zinc/23/86/19/388238619.db2.gz DFINWIQRWUXUFT-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000164453270 388238621 /nfs/dbraw/zinc/23/86/21/388238621.db2.gz DFINWIQRWUXUFT-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000415012337 256630550 /nfs/dbraw/zinc/63/05/50/256630550.db2.gz SISSAAOKPWEXKX-SFYZADRCSA-N 2 2 230.714 2.304 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2ccc(C)c(C)n2)CC1 ZINC000314208156 256601866 /nfs/dbraw/zinc/60/18/66/256601866.db2.gz SFWCVMLYXNZASU-UHFFFAOYSA-N 2 2 247.386 2.272 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000516571187 388350456 /nfs/dbraw/zinc/35/04/56/388350456.db2.gz TXSOIDFEZPSAMM-OAHLLOKOSA-N 2 2 248.370 2.221 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000234841923 388361386 /nfs/dbraw/zinc/36/13/86/388361386.db2.gz GSSXOGCWVQEMPE-QWRGUYRKSA-N 2 2 222.332 2.001 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000235188996 388366243 /nfs/dbraw/zinc/36/62/43/388366243.db2.gz NHFXSDIDKPNQCY-MNOVXSKESA-N 2 2 224.373 2.459 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000235530779 388370818 /nfs/dbraw/zinc/37/08/18/388370818.db2.gz QAJNVHJQDFVOAG-JSGCOSHPSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000572721728 388370814 /nfs/dbraw/zinc/37/08/14/388370814.db2.gz BVONCVDYMLCBQJ-YPMHNXCESA-N 3 2 235.375 2.038 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000572721727 388370859 /nfs/dbraw/zinc/37/08/59/388370859.db2.gz BVONCVDYMLCBQJ-WCQYABFASA-N 3 2 235.375 2.038 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCOC1(C)C ZINC000294855643 388405636 /nfs/dbraw/zinc/40/56/36/388405636.db2.gz SQUREWVCJPSVIB-CYBMUJFWSA-N 2 2 234.343 2.090 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300788095 388394099 /nfs/dbraw/zinc/39/40/99/388394099.db2.gz BIUGLSWOCOWCEP-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300788095 388394100 /nfs/dbraw/zinc/39/41/00/388394100.db2.gz BIUGLSWOCOWCEP-WDEREUQCSA-N 2 2 232.318 2.106 20 0 BEADLP Cc1sccc1C[NH2+]CCn1cc[nH+]c1 ZINC000294094736 388395036 /nfs/dbraw/zinc/39/50/36/388395036.db2.gz LZSYMEMQCZTXHA-UHFFFAOYSA-N 2 2 221.329 2.043 20 0 BEADLP Cc1nc(NC(C)(C)C[NH+]2CCCC2)cc[nH+]1 ZINC000308668527 388446891 /nfs/dbraw/zinc/44/68/91/388446891.db2.gz RPVDEHYHAICBAT-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000335354907 388450005 /nfs/dbraw/zinc/45/00/05/388450005.db2.gz CVLVZRKAYMDAKE-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP CO[C@@H]1CCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000397524686 388476061 /nfs/dbraw/zinc/47/60/61/388476061.db2.gz OQFBVEUWTWTVOF-ZIAGYGMSSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000166888749 388434248 /nfs/dbraw/zinc/43/42/48/388434248.db2.gz IILKKMAWGYTVHX-CMPLNLGQSA-N 2 2 208.305 2.024 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccoc1 ZINC000166888749 388434250 /nfs/dbraw/zinc/43/42/50/388434250.db2.gz IILKKMAWGYTVHX-CMPLNLGQSA-N 2 2 208.305 2.024 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3occc32)n1C ZINC000517395633 388550409 /nfs/dbraw/zinc/55/04/09/388550409.db2.gz LOMYBZIMMWAKOS-CYBMUJFWSA-N 2 2 245.326 2.489 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000517223544 388543306 /nfs/dbraw/zinc/54/33/06/388543306.db2.gz PUNJEVZGXMXNRV-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000517223544 388543309 /nfs/dbraw/zinc/54/33/09/388543309.db2.gz PUNJEVZGXMXNRV-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP Cc1ccc(C[NH2+]CC2([NH+](C)C)CC2)c(C)c1 ZINC000397770361 388498184 /nfs/dbraw/zinc/49/81/84/388498184.db2.gz AEAYYINKHVRYND-UHFFFAOYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1CC1(C)C ZINC000397785052 388499013 /nfs/dbraw/zinc/49/90/13/388499013.db2.gz YBYLMVHLSJGKLW-TUAOUCFPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC1 ZINC000397833229 388504276 /nfs/dbraw/zinc/50/42/76/388504276.db2.gz NTCYFRYAXVHURZ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000397839087 388504333 /nfs/dbraw/zinc/50/43/33/388504333.db2.gz FYZVVJZYZXFURF-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397867400 388507502 /nfs/dbraw/zinc/50/75/02/388507502.db2.gz AMJAVJILXSKAEQ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000397871079 388508091 /nfs/dbraw/zinc/50/80/91/388508091.db2.gz SQOPQPLERMHJJH-OAHLLOKOSA-N 2 2 244.382 2.228 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000397888980 388508869 /nfs/dbraw/zinc/50/88/69/388508869.db2.gz NTYHXAYKROWDNF-MNOVXSKESA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000398005414 388515061 /nfs/dbraw/zinc/51/50/61/388515061.db2.gz VLMNJEGVWAQHMD-ZDUSSCGKSA-N 2 2 232.371 2.474 20 0 BEADLP C/C(Cl)=C/C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000528385072 388518889 /nfs/dbraw/zinc/51/88/89/388518889.db2.gz ZLBNIHSGAZFCNK-FGUAACIASA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000528385072 388518890 /nfs/dbraw/zinc/51/88/90/388518890.db2.gz ZLBNIHSGAZFCNK-FGUAACIASA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C/C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000528385077 388519659 /nfs/dbraw/zinc/51/96/59/388519659.db2.gz ZLBNIHSGAZFCNK-NEOSZVFXSA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000528385077 388519661 /nfs/dbraw/zinc/51/96/61/388519661.db2.gz ZLBNIHSGAZFCNK-NEOSZVFXSA-N 2 2 216.756 2.013 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000347093871 388522059 /nfs/dbraw/zinc/52/20/59/388522059.db2.gz GUNRJOGVBPZPEL-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000347093871 388522062 /nfs/dbraw/zinc/52/20/62/388522062.db2.gz GUNRJOGVBPZPEL-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000245532387 388587688 /nfs/dbraw/zinc/58/76/88/388587688.db2.gz ICRHUBBZTAKLBR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000245532387 388587690 /nfs/dbraw/zinc/58/76/90/388587690.db2.gz ICRHUBBZTAKLBR-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245783354 388605554 /nfs/dbraw/zinc/60/55/54/388605554.db2.gz VMXUQCHFZZOJAC-STQMWFEESA-N 2 2 221.348 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245783354 388605558 /nfs/dbraw/zinc/60/55/58/388605558.db2.gz VMXUQCHFZZOJAC-STQMWFEESA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245891524 388609767 /nfs/dbraw/zinc/60/97/67/388609767.db2.gz MFJDGGVFISXFHS-KBPBESRZSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245891524 388609768 /nfs/dbraw/zinc/60/97/68/388609768.db2.gz MFJDGGVFISXFHS-KBPBESRZSA-N 2 2 218.344 2.430 20 0 BEADLP c1cn(Cc2cn3ccccc3[nH+]2)c(C2CC2)[nH+]1 ZINC000530131969 388614758 /nfs/dbraw/zinc/61/47/58/388614758.db2.gz ZFFUHGFVYSPDNX-UHFFFAOYSA-N 2 2 238.294 2.457 20 0 BEADLP C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000517582651 388554626 /nfs/dbraw/zinc/55/46/26/388554626.db2.gz MNYFPBIJBKNKFP-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000517582651 388554629 /nfs/dbraw/zinc/55/46/29/388554629.db2.gz MNYFPBIJBKNKFP-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP CCC[N@H+](CC1CC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000530207761 388626129 /nfs/dbraw/zinc/62/61/29/388626129.db2.gz FTDMTBZJMBTVAS-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CCC[N@@H+](CC1CC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000530207761 388626131 /nfs/dbraw/zinc/62/61/31/388626131.db2.gz FTDMTBZJMBTVAS-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000530218285 388632171 /nfs/dbraw/zinc/63/21/71/388632171.db2.gz IONWKUBGSBLSHA-YPMHNXCESA-N 2 2 231.343 2.017 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530225182 388635887 /nfs/dbraw/zinc/63/58/87/388635887.db2.gz WWCLKIBHKVCMJE-OCCSQVGLSA-N 2 2 245.370 2.325 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000247045567 388657503 /nfs/dbraw/zinc/65/75/03/388657503.db2.gz MYETYJJHPXGWDF-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000247045567 388657504 /nfs/dbraw/zinc/65/75/04/388657504.db2.gz MYETYJJHPXGWDF-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP COc1ccc[nH+]c1NC[C@H](C)C[NH+]1CCCC1 ZINC000128037664 388736587 /nfs/dbraw/zinc/73/65/87/388736587.db2.gz OQEMXWDTKICMGO-LBPRGKRZSA-N 2 2 249.358 2.234 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000227599898 388753730 /nfs/dbraw/zinc/75/37/30/388753730.db2.gz NCZOFTCWJOIWLV-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000251884534 388756495 /nfs/dbraw/zinc/75/64/95/388756495.db2.gz VMFMZGOCYJUGLC-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000251884534 388756502 /nfs/dbraw/zinc/75/65/02/388756502.db2.gz VMFMZGOCYJUGLC-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CCCC[NH2+][C@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000554349039 388811049 /nfs/dbraw/zinc/81/10/49/388811049.db2.gz GQNHCMUERHJPEC-KBPBESRZSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000229293741 388784164 /nfs/dbraw/zinc/78/41/64/388784164.db2.gz ZTXCKJDRDJXPPM-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C ZINC000308915209 135431325 /nfs/dbraw/zinc/43/13/25/135431325.db2.gz BBJBNCUHCQDTDC-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c(C)[nH+]1 ZINC000288770462 388860653 /nfs/dbraw/zinc/86/06/53/388860653.db2.gz PDEZRVGDWLNRTR-ZYHUDNBSSA-N 2 2 247.342 2.025 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556045334 388864827 /nfs/dbraw/zinc/86/48/27/388864827.db2.gz VWROGHFBCCEWGY-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000556045334 388864831 /nfs/dbraw/zinc/86/48/31/388864831.db2.gz VWROGHFBCCEWGY-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000400627789 533459809 /nfs/dbraw/zinc/45/98/09/533459809.db2.gz KZZNRPNIVCGUBN-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000334289515 132296128 /nfs/dbraw/zinc/29/61/28/132296128.db2.gz BDSQTSGTZVVCKD-JSGCOSHPSA-N 2 2 245.370 2.439 20 0 BEADLP CC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932200 132342999 /nfs/dbraw/zinc/34/29/99/132342999.db2.gz AWBHBLINZCSBJC-GFCCVEGCSA-N 2 2 233.359 2.439 20 0 BEADLP CC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932201 132343040 /nfs/dbraw/zinc/34/30/40/132343040.db2.gz AWBHBLINZCSBJC-LBPRGKRZSA-N 2 2 233.359 2.439 20 0 BEADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000036932219 132343088 /nfs/dbraw/zinc/34/30/88/132343088.db2.gz PUDIWOKDOGLMPL-LBPRGKRZSA-N 2 2 245.370 2.439 20 0 BEADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000336023825 134054656 /nfs/dbraw/zinc/05/46/56/134054656.db2.gz XIMBPMFUMXRASB-STQMWFEESA-N 2 2 233.359 2.394 20 0 BEADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000336023825 134054657 /nfs/dbraw/zinc/05/46/57/134054657.db2.gz XIMBPMFUMXRASB-STQMWFEESA-N 2 2 233.359 2.394 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000336096053 134080179 /nfs/dbraw/zinc/08/01/79/134080179.db2.gz BPYUAICWJULOBT-CPCZMJQVSA-N 2 2 233.359 2.222 20 0 BEADLP [NH3+]C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000168295805 134166810 /nfs/dbraw/zinc/16/68/10/134166810.db2.gz FOZWDGNXBHTGRI-UHFFFAOYSA-N 2 2 242.725 2.402 20 0 BEADLP c1cc2cccc(C[NH2+]CCn3cc[nH+]c3)c2[nH]1 ZINC000218070962 134251695 /nfs/dbraw/zinc/25/16/95/134251695.db2.gz TXKRDIMJKQAHDM-UHFFFAOYSA-N 2 2 240.310 2.154 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221148587 134317223 /nfs/dbraw/zinc/31/72/23/134317223.db2.gz DDRSFKVNRRHGKQ-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221148587 134317224 /nfs/dbraw/zinc/31/72/24/134317224.db2.gz DDRSFKVNRRHGKQ-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000222010306 134328949 /nfs/dbraw/zinc/32/89/49/134328949.db2.gz LOMVXXOMXCASGN-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000222024270 134329492 /nfs/dbraw/zinc/32/94/92/134329492.db2.gz QQEOIGYCDUNGIR-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1(C)C ZINC000085380060 134344897 /nfs/dbraw/zinc/34/48/97/134344897.db2.gz CODWICHRIMRKDL-RYUDHWBXSA-N 2 2 242.407 2.120 20 0 BEADLP CC1CC[NH+](CC[NH2+]C[C@H]2CCSC2)CC1 ZINC000224398582 134346382 /nfs/dbraw/zinc/34/63/82/134346382.db2.gz CVFMVEOLKULVOY-CYBMUJFWSA-N 2 2 242.432 2.061 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c[nH+]1 ZINC000226833386 134370058 /nfs/dbraw/zinc/37/00/58/134370058.db2.gz ZHHRAXFEIPUVMH-RYUDHWBXSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c[nH+]1 ZINC000226833386 134370059 /nfs/dbraw/zinc/37/00/59/134370059.db2.gz ZHHRAXFEIPUVMH-RYUDHWBXSA-N 2 2 219.332 2.285 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC(C)(C)C1)[NH+](C)C ZINC000070683162 135008421 /nfs/dbraw/zinc/00/84/21/135008421.db2.gz JYCSSWAIKGNZPE-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000251577444 135071089 /nfs/dbraw/zinc/07/10/89/135071089.db2.gz BXBSGGPTCKYSCL-UPJWGTAASA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000251577444 135071090 /nfs/dbraw/zinc/07/10/90/135071090.db2.gz BXBSGGPTCKYSCL-UPJWGTAASA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251953059 135081165 /nfs/dbraw/zinc/08/11/65/135081165.db2.gz USTBBZAKRNRBHF-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@H](C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251953059 135081167 /nfs/dbraw/zinc/08/11/67/135081167.db2.gz USTBBZAKRNRBHF-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@H](C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251953059 135081169 /nfs/dbraw/zinc/08/11/69/135081169.db2.gz USTBBZAKRNRBHF-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@H](C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000251953059 135081170 /nfs/dbraw/zinc/08/11/70/135081170.db2.gz USTBBZAKRNRBHF-STQMWFEESA-N 2 2 210.365 2.203 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000252091052 135083801 /nfs/dbraw/zinc/08/38/01/135083801.db2.gz HDOHXVDJXSRBNV-UTUOFQBUSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000252091052 135083803 /nfs/dbraw/zinc/08/38/03/135083803.db2.gz HDOHXVDJXSRBNV-UTUOFQBUSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000252171282 135085886 /nfs/dbraw/zinc/08/58/86/135085886.db2.gz NZAHPVGIUWLFBT-FZMZJTMJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)[C@H]1C[NH3+] ZINC000252171282 135085887 /nfs/dbraw/zinc/08/58/87/135085887.db2.gz NZAHPVGIUWLFBT-FZMZJTMJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000252458123 135089761 /nfs/dbraw/zinc/08/97/61/135089761.db2.gz MJTSFNZVPVQIAI-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000086729901 135095531 /nfs/dbraw/zinc/09/55/31/135095531.db2.gz KSPTTYSJLXJIRC-GXSJLCMTSA-N 2 2 222.357 2.077 20 0 BEADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000252733867 135104957 /nfs/dbraw/zinc/10/49/57/135104957.db2.gz SVMHKQXYPHEGHF-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000252733867 135104959 /nfs/dbraw/zinc/10/49/59/135104959.db2.gz SVMHKQXYPHEGHF-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC000252787552 135109445 /nfs/dbraw/zinc/10/94/45/135109445.db2.gz QODVNPOHHQVYKJ-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC000252787552 135109448 /nfs/dbraw/zinc/10/94/48/135109448.db2.gz QODVNPOHHQVYKJ-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1csc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000087393660 135128041 /nfs/dbraw/zinc/12/80/41/135128041.db2.gz ABVZFISSGYIDFW-LLVKDONJSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1csc(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000087393660 135128042 /nfs/dbraw/zinc/12/80/42/135128042.db2.gz ABVZFISSGYIDFW-LLVKDONJSA-N 2 2 239.388 2.155 20 0 BEADLP c1sc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000258758597 135134128 /nfs/dbraw/zinc/13/41/28/135134128.db2.gz AMILMCHCQMVDJW-LLVKDONJSA-N 2 2 232.352 2.353 20 0 BEADLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1C ZINC000258819310 135134699 /nfs/dbraw/zinc/13/46/99/135134699.db2.gz LJDBNQOCBDYVNR-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1C ZINC000258819310 135134700 /nfs/dbraw/zinc/13/47/00/135134700.db2.gz LJDBNQOCBDYVNR-UHFFFAOYSA-N 2 2 236.359 2.173 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000258956135 135136032 /nfs/dbraw/zinc/13/60/32/135136032.db2.gz KSMYRZJATBVBSZ-CHWSQXEVSA-N 2 2 240.297 2.324 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000259014004 135136910 /nfs/dbraw/zinc/13/69/10/135136910.db2.gz NUKVXXVRNZHHIU-AWEZNQCLSA-N 2 2 218.344 2.063 20 0 BEADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000259218003 135141828 /nfs/dbraw/zinc/14/18/28/135141828.db2.gz XLLLPGRZRQIJSU-OAHLLOKOSA-N 2 2 232.371 2.337 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c(C)o1 ZINC000261530280 135157351 /nfs/dbraw/zinc/15/73/51/135157351.db2.gz CEZNRQUBLZMYRY-BBBLOLIVSA-N 2 2 210.321 2.283 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000261531055 135159092 /nfs/dbraw/zinc/15/90/92/135159092.db2.gz FALGFFJWYQSTLM-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000261531055 135159094 /nfs/dbraw/zinc/15/90/94/135159094.db2.gz FALGFFJWYQSTLM-VIFPVBQESA-N 2 2 244.791 2.443 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000261533555 135165197 /nfs/dbraw/zinc/16/51/97/135165197.db2.gz KXGTUQCKHHBHIF-UWVGGRQHSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccs1 ZINC000261533555 135165198 /nfs/dbraw/zinc/16/51/98/135165198.db2.gz KXGTUQCKHHBHIF-UWVGGRQHSA-N 2 2 210.346 2.232 20 0 BEADLP CSc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534339 135166956 /nfs/dbraw/zinc/16/69/56/135166956.db2.gz PZAHVCYKCZFBQZ-GXFFZTMASA-N 2 2 236.384 2.188 20 0 BEADLP CSc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261534339 135166957 /nfs/dbraw/zinc/16/69/57/135166957.db2.gz PZAHVCYKCZFBQZ-GXFFZTMASA-N 2 2 236.384 2.188 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000261534781 135167531 /nfs/dbraw/zinc/16/75/31/135167531.db2.gz MZGCDJAHHNMHJT-ZDUSSCGKSA-N 2 2 206.333 2.193 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000261534779 135168217 /nfs/dbraw/zinc/16/82/17/135168217.db2.gz MZGCDJAHHNMHJT-CYBMUJFWSA-N 2 2 206.333 2.193 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC(C)(C)[NH3+])c(C)o1 ZINC000261534908 135168580 /nfs/dbraw/zinc/16/85/80/135168580.db2.gz NJMBPXOAJLWMKC-VIFPVBQESA-N 2 2 210.321 2.284 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535234 135169124 /nfs/dbraw/zinc/16/91/24/135169124.db2.gz XBGPOQWFJDSJPL-ZWNOBZJWSA-N 2 2 238.762 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535234 135169125 /nfs/dbraw/zinc/16/91/25/135169125.db2.gz XBGPOQWFJDSJPL-ZWNOBZJWSA-N 2 2 238.762 2.427 20 0 BEADLP Cc1noc(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000261538304 135175643 /nfs/dbraw/zinc/17/56/43/135175643.db2.gz XQTQGAVGYHCKJM-UHFFFAOYSA-N 2 2 237.347 2.043 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1[NH3+] ZINC000261539601 135177651 /nfs/dbraw/zinc/17/76/51/135177651.db2.gz AJKIRSFYMNSEGW-IAQYHMDHSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1[NH3+] ZINC000261539601 135177652 /nfs/dbraw/zinc/17/76/52/135177652.db2.gz AJKIRSFYMNSEGW-IAQYHMDHSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1[NH3+] ZINC000261541939 135182181 /nfs/dbraw/zinc/18/21/81/135182181.db2.gz MTKNLJRVFYUIET-GXFFZTMASA-N 2 2 230.311 2.212 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1[NH3+] ZINC000261541939 135182183 /nfs/dbraw/zinc/18/21/83/135182183.db2.gz MTKNLJRVFYUIET-GXFFZTMASA-N 2 2 230.311 2.212 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544050 135185300 /nfs/dbraw/zinc/18/53/00/135185300.db2.gz DNVRPUTVNLAKCK-IAQYHMDHSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544050 135185301 /nfs/dbraw/zinc/18/53/01/135185301.db2.gz DNVRPUTVNLAKCK-IAQYHMDHSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000261550918 135190484 /nfs/dbraw/zinc/19/04/84/135190484.db2.gz PYJFQLSPBFEPCO-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000261550918 135190485 /nfs/dbraw/zinc/19/04/85/135190485.db2.gz PYJFQLSPBFEPCO-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@H]1[NH3+] ZINC000261551483 135190668 /nfs/dbraw/zinc/19/06/68/135190668.db2.gz VQERWZOULGFWPN-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1[NH3+] ZINC000261551483 135190670 /nfs/dbraw/zinc/19/06/70/135190670.db2.gz VQERWZOULGFWPN-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261551564 135190711 /nfs/dbraw/zinc/19/07/11/135190711.db2.gz MGBKWPCPWKOANT-FZMZJTMJSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000261551564 135190713 /nfs/dbraw/zinc/19/07/13/135190713.db2.gz MGBKWPCPWKOANT-FZMZJTMJSA-N 2 2 234.343 2.007 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261560603 135200930 /nfs/dbraw/zinc/20/09/30/135200930.db2.gz ACTINISEJWCZFH-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261560603 135200931 /nfs/dbraw/zinc/20/09/31/135200931.db2.gz ACTINISEJWCZFH-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1coc2ccccc12 ZINC000261563685 135205163 /nfs/dbraw/zinc/20/51/63/135205163.db2.gz XDIKNKOHFXWATR-GXFFZTMASA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1coc2ccccc12 ZINC000261563685 135205164 /nfs/dbraw/zinc/20/51/64/135205164.db2.gz XDIKNKOHFXWATR-GXFFZTMASA-N 2 2 230.311 2.354 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1F ZINC000261564144 135206346 /nfs/dbraw/zinc/20/63/46/135206346.db2.gz CHODGYQHDLGNAJ-CYBMUJFWSA-N 2 2 224.323 2.289 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccncc1Cl ZINC000261563827 135206385 /nfs/dbraw/zinc/20/63/85/135206385.db2.gz CAXGJHFBQDQMOM-GFCCVEGCSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@H]([NH3+])C[N@H+](CC1CC1)C1CCCCC1 ZINC000261564853 135207196 /nfs/dbraw/zinc/20/71/96/135207196.db2.gz CUKIOFSASQHREG-NSHDSACASA-N 2 2 210.365 2.378 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](CC1CC1)C1CCCCC1 ZINC000261564853 135207198 /nfs/dbraw/zinc/20/71/98/135207198.db2.gz CUKIOFSASQHREG-NSHDSACASA-N 2 2 210.365 2.378 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261565639 135208039 /nfs/dbraw/zinc/20/80/39/135208039.db2.gz DCAKQNBEYLAIAQ-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261565639 135208041 /nfs/dbraw/zinc/20/80/41/135208041.db2.gz DCAKQNBEYLAIAQ-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261569745 135211884 /nfs/dbraw/zinc/21/18/84/135211884.db2.gz GNHUXNCXIZFQHB-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261569745 135211886 /nfs/dbraw/zinc/21/18/86/135211886.db2.gz GNHUXNCXIZFQHB-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000164146391 135215142 /nfs/dbraw/zinc/21/51/42/135215142.db2.gz XVKQXGHQIACEON-CYBMUJFWSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000164146391 135215143 /nfs/dbraw/zinc/21/51/43/135215143.db2.gz XVKQXGHQIACEON-CYBMUJFWSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261577297 135218484 /nfs/dbraw/zinc/21/84/84/135218484.db2.gz KXZVZQRRGJLSDK-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000261577297 135218485 /nfs/dbraw/zinc/21/84/85/135218485.db2.gz KXZVZQRRGJLSDK-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000261576838 135218707 /nfs/dbraw/zinc/21/87/07/135218707.db2.gz KPUQEUXKIZDHOS-NSHDSACASA-N 2 2 228.405 2.085 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCSC2(CCCCC2)C1 ZINC000261576838 135218708 /nfs/dbraw/zinc/21/87/08/135218708.db2.gz KPUQEUXKIZDHOS-NSHDSACASA-N 2 2 228.405 2.085 20 0 BEADLP C[C@@H]1C[N@H+](CC[NH3+])CC[C@H]1c1ccccc1 ZINC000261589934 135230862 /nfs/dbraw/zinc/23/08/62/135230862.db2.gz UERRWLRDTLIVAP-TZMCWYRMSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@@H]1C[N@@H+](CC[NH3+])CC[C@H]1c1ccccc1 ZINC000261589934 135230863 /nfs/dbraw/zinc/23/08/63/135230863.db2.gz UERRWLRDTLIVAP-TZMCWYRMSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@H]1C[N@H+](CC[NH3+])CC[C@H]1c1ccccc1 ZINC000261589931 135230929 /nfs/dbraw/zinc/23/09/29/135230929.db2.gz UERRWLRDTLIVAP-GXTWGEPZSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@H]1C[N@@H+](CC[NH3+])CC[C@H]1c1ccccc1 ZINC000261589931 135230930 /nfs/dbraw/zinc/23/09/30/135230930.db2.gz UERRWLRDTLIVAP-GXTWGEPZSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000261592476 135232927 /nfs/dbraw/zinc/23/29/27/135232927.db2.gz YMGGDEYABCDZKY-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2ncccc2c1 ZINC000261592476 135232928 /nfs/dbraw/zinc/23/29/28/135232928.db2.gz YMGGDEYABCDZKY-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000261596115 135235638 /nfs/dbraw/zinc/23/56/38/135235638.db2.gz YMWSNFLTHREYGQ-WDEREUQCSA-N 2 2 228.405 2.084 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000261596115 135235639 /nfs/dbraw/zinc/23/56/39/135235639.db2.gz YMWSNFLTHREYGQ-WDEREUQCSA-N 2 2 228.405 2.084 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000261599009 135237369 /nfs/dbraw/zinc/23/73/69/135237369.db2.gz ZRHUQPKUJOHSJJ-VGMNWLOBSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000261599027 135237606 /nfs/dbraw/zinc/23/76/06/135237606.db2.gz ZRZRILSQKTXANR-HLTSFMKQSA-N 2 2 228.286 2.351 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000261599007 135238020 /nfs/dbraw/zinc/23/80/20/135238020.db2.gz ZRHUQPKUJOHSJJ-CIUDSAMLSA-N 2 2 228.286 2.351 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1Cl ZINC000261547366 135240211 /nfs/dbraw/zinc/24/02/11/135240211.db2.gz MFTJXBHQKQZKOF-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1Cl ZINC000261547366 135240212 /nfs/dbraw/zinc/24/02/12/135240212.db2.gz MFTJXBHQKQZKOF-SNVBAGLBSA-N 2 2 226.751 2.427 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789391 135253859 /nfs/dbraw/zinc/25/38/59/135253859.db2.gz GAIFEPZHGXNFBZ-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789391 135253861 /nfs/dbraw/zinc/25/38/61/135253861.db2.gz GAIFEPZHGXNFBZ-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP FC(F)[C@@H]1C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342233009 135254756 /nfs/dbraw/zinc/25/47/56/135254756.db2.gz OQNKVAGSZUEHJX-NXEZZACHSA-N 2 2 237.253 2.078 20 0 BEADLP FC(F)[C@H]1C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342233019 135254945 /nfs/dbraw/zinc/25/49/45/135254945.db2.gz OQNKVAGSZUEHJX-VHSXEESVSA-N 2 2 237.253 2.078 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261954991 135265755 /nfs/dbraw/zinc/26/57/55/135265755.db2.gz GPFOIKANUGYLGQ-GXTWGEPZSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261954991 135265757 /nfs/dbraw/zinc/26/57/57/135265757.db2.gz GPFOIKANUGYLGQ-GXTWGEPZSA-N 2 2 248.370 2.253 20 0 BEADLP CCOc1ccc2c(c1)CC[N@@H+](CC(C)(C)[NH3+])C2 ZINC000262028179 135273631 /nfs/dbraw/zinc/27/36/31/135273631.db2.gz WWXYXOKDDIRJMJ-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP CCOc1ccc2c(c1)CC[N@H+](CC(C)(C)[NH3+])C2 ZINC000262028179 135273632 /nfs/dbraw/zinc/27/36/32/135273632.db2.gz WWXYXOKDDIRJMJ-UHFFFAOYSA-N 2 2 248.370 2.181 20 0 BEADLP COc1c(C)cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000262041054 135275080 /nfs/dbraw/zinc/27/50/80/135275080.db2.gz PCSYOQKPOSPLLK-OCCSQVGLSA-N 2 2 248.370 2.091 20 0 BEADLP COc1c(C)cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000262041054 135275081 /nfs/dbraw/zinc/27/50/81/135275081.db2.gz PCSYOQKPOSPLLK-OCCSQVGLSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC000262194655 135285713 /nfs/dbraw/zinc/28/57/13/135285713.db2.gz ZDYISVOOVYWZAK-ZDUSSCGKSA-N 2 2 240.297 2.182 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](CC2CCC2)CC1 ZINC000342771260 135327895 /nfs/dbraw/zinc/32/78/95/135327895.db2.gz ZKVYJHQGUPWARD-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](C2CCCC2)CC1 ZINC000334225303 135329719 /nfs/dbraw/zinc/32/97/19/135329719.db2.gz YKCSZFBICMJACR-UHFFFAOYSA-N 2 2 245.370 2.455 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343141623 135360703 /nfs/dbraw/zinc/36/07/03/135360703.db2.gz LPPLTXHYESUACX-ZDUSSCGKSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343141623 135360704 /nfs/dbraw/zinc/36/07/04/135360704.db2.gz LPPLTXHYESUACX-ZDUSSCGKSA-N 2 2 221.348 2.394 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079979118 135364991 /nfs/dbraw/zinc/36/49/91/135364991.db2.gz OKHMKAVQYKTVPJ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079979118 135364994 /nfs/dbraw/zinc/36/49/94/135364994.db2.gz OKHMKAVQYKTVPJ-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299912352 135381557 /nfs/dbraw/zinc/38/15/57/135381557.db2.gz BNCPDMPMUQDCFO-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299912352 135381558 /nfs/dbraw/zinc/38/15/58/135381558.db2.gz BNCPDMPMUQDCFO-CVEARBPZSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385960 135382115 /nfs/dbraw/zinc/38/21/15/135382115.db2.gz NPSXNVKCLHGHMY-PWSUYJOCSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385960 135382117 /nfs/dbraw/zinc/38/21/17/135382117.db2.gz NPSXNVKCLHGHMY-PWSUYJOCSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000084340593 135469456 /nfs/dbraw/zinc/46/94/56/135469456.db2.gz XFHXHILTKJBOHS-KBPBESRZSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087770972 135511920 /nfs/dbraw/zinc/51/19/20/135511920.db2.gz AKERRPBEECJFPG-VXGBXAGGSA-N 2 2 221.348 2.440 20 0 BEADLP Cc1cc(N2CC[C@@](C)(C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000232762520 135673127 /nfs/dbraw/zinc/67/31/27/135673127.db2.gz QQUFOJIZWDRATO-AWEZNQCLSA-N 2 2 248.374 2.084 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2ncsc2c1 ZINC000335061561 135886512 /nfs/dbraw/zinc/88/65/12/135886512.db2.gz BEINQHVAHSLLLE-KOLCDFICSA-N 2 2 247.367 2.309 20 0 BEADLP C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000335282772 136000812 /nfs/dbraw/zinc/00/08/12/136000812.db2.gz VJEVGFOTJJENBD-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000335282772 136000813 /nfs/dbraw/zinc/00/08/13/136000813.db2.gz VJEVGFOTJJENBD-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cncs1 ZINC000335283673 136001826 /nfs/dbraw/zinc/00/18/26/136001826.db2.gz GMAKRIGHICOIAO-UWVGGRQHSA-N 2 2 248.355 2.005 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)C1CCCCC1 ZINC000347714320 136002911 /nfs/dbraw/zinc/00/29/11/136002911.db2.gz CZGBGTLXGMOZPF-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CCCCC1 ZINC000347714320 136002912 /nfs/dbraw/zinc/00/29/12/136002912.db2.gz CZGBGTLXGMOZPF-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(CCO)CC1 ZINC000348176946 136042596 /nfs/dbraw/zinc/04/25/96/136042596.db2.gz WVFNDVOVQCPNIF-UHFFFAOYSA-N 2 2 248.370 2.075 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[C@H](C)O ZINC000348219094 136046830 /nfs/dbraw/zinc/04/68/30/136046830.db2.gz KTWVQZSJALWDSS-STQMWFEESA-N 2 2 236.359 2.072 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000348227454 136048304 /nfs/dbraw/zinc/04/83/04/136048304.db2.gz DPQCDNHUUNFAIW-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(CO)CCC1 ZINC000348227499 136048318 /nfs/dbraw/zinc/04/83/18/136048318.db2.gz DRYKKSYWMABRHY-UHFFFAOYSA-N 2 2 248.370 2.075 20 0 BEADLP CCC1(CC)[C@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@H]1OC ZINC000348275140 136059326 /nfs/dbraw/zinc/05/93/26/136059326.db2.gz CBWGNQRLXXUGFH-YNEHKIRRSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000348296225 136062929 /nfs/dbraw/zinc/06/29/29/136062929.db2.gz VPEHBZMMTWMTHU-UONOGXRCSA-N 2 2 234.387 2.466 20 0 BEADLP C[C@H](CCc1cccc(F)c1)[NH2+]CC[NH+](C)C ZINC000348334961 136075634 /nfs/dbraw/zinc/07/56/34/136075634.db2.gz QKUURSYTAGXQHQ-GFCCVEGCSA-N 2 2 238.350 2.298 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348410339 136077631 /nfs/dbraw/zinc/07/76/31/136077631.db2.gz OKQUCQLOMWUQFQ-DGCLKSJQSA-N 2 2 240.366 2.341 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(F)CCC1 ZINC000348410339 136077632 /nfs/dbraw/zinc/07/76/32/136077632.db2.gz OKQUCQLOMWUQFQ-DGCLKSJQSA-N 2 2 240.366 2.341 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335374959 136085100 /nfs/dbraw/zinc/08/51/00/136085100.db2.gz QTFZIQQYBSUFPS-MOENNCHZSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335374959 136085101 /nfs/dbraw/zinc/08/51/01/136085101.db2.gz QTFZIQQYBSUFPS-MOENNCHZSA-N 2 2 233.359 2.291 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000348554397 136096533 /nfs/dbraw/zinc/09/65/33/136096533.db2.gz LYFDPINRNJOPAU-LSDHHAIUSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000348554397 136096534 /nfs/dbraw/zinc/09/65/34/136096534.db2.gz LYFDPINRNJOPAU-LSDHHAIUSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000348554394 136096718 /nfs/dbraw/zinc/09/67/18/136096718.db2.gz LYFDPINRNJOPAU-HUUCEWRRSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000348554394 136096719 /nfs/dbraw/zinc/09/67/19/136096719.db2.gz LYFDPINRNJOPAU-HUUCEWRRSA-N 2 2 248.370 2.168 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000647531277 397779073 /nfs/dbraw/zinc/77/90/73/397779073.db2.gz LKMJNRNXZSOPRJ-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP CC(C)[N@H+](C)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000264830626 397928122 /nfs/dbraw/zinc/92/81/22/397928122.db2.gz CWBVXZIWDKMABU-UHFFFAOYSA-N 2 2 248.374 2.496 20 0 BEADLP CC(C)[N@@H+](C)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000264830626 397928130 /nfs/dbraw/zinc/92/81/30/397928130.db2.gz CWBVXZIWDKMABU-UHFFFAOYSA-N 2 2 248.374 2.496 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@H]2CCC[C@H]21 ZINC000649541223 397934224 /nfs/dbraw/zinc/93/42/24/397934224.db2.gz VYOBCOYVPITKOX-MGPQQGTHSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@H]2CCC[C@H]21 ZINC000649541223 397934225 /nfs/dbraw/zinc/93/42/25/397934225.db2.gz VYOBCOYVPITKOX-MGPQQGTHSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000649541223 397934228 /nfs/dbraw/zinc/93/42/28/397934228.db2.gz VYOBCOYVPITKOX-MGPQQGTHSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000649541223 397934231 /nfs/dbraw/zinc/93/42/31/397934231.db2.gz VYOBCOYVPITKOX-MGPQQGTHSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2ccccc2)CC1 ZINC000649575117 397966111 /nfs/dbraw/zinc/96/61/11/397966111.db2.gz DFUTWTAIHNIGBV-CQSZACIVSA-N 2 2 230.355 2.360 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2ccccc2)CC1 ZINC000649575117 397966117 /nfs/dbraw/zinc/96/61/17/397966117.db2.gz DFUTWTAIHNIGBV-CQSZACIVSA-N 2 2 230.355 2.360 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]1C1CC1)[NH+](C)C ZINC000449556056 397956275 /nfs/dbraw/zinc/95/62/75/397956275.db2.gz KHUCDOIHVKAVTG-UHTWSYAYSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538470 397918627 /nfs/dbraw/zinc/91/86/27/397918627.db2.gz KSGJQSIKKHDVST-ZUWCUPBKSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537861 397918802 /nfs/dbraw/zinc/91/88/02/397918802.db2.gz SJGSOMOHQRPWRD-WYUUTHIRSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537705 397918810 /nfs/dbraw/zinc/91/88/10/397918810.db2.gz OOVNTHLSDDXCEF-IGQOVBAYSA-N 2 2 242.382 2.491 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(C)o1 ZINC000643537963 397919865 /nfs/dbraw/zinc/91/98/65/397919865.db2.gz VMALVIJQYXUZPU-USWWRNFRSA-N 2 2 240.322 2.247 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538025 397920107 /nfs/dbraw/zinc/92/01/07/397920107.db2.gz WRDRNHJTYXGVBG-DCAQKATOSA-N 2 2 242.363 2.407 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1Cc2ccccc2C1 ZINC000555093804 397992260 /nfs/dbraw/zinc/99/22/60/397992260.db2.gz DTKLAKMSJOAOAI-INIZCTEOSA-N 2 2 244.382 2.085 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1Cc2ccccc2C1 ZINC000555093804 397992263 /nfs/dbraw/zinc/99/22/63/397992263.db2.gz DTKLAKMSJOAOAI-INIZCTEOSA-N 2 2 244.382 2.085 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)o1 ZINC000291704652 397993160 /nfs/dbraw/zinc/99/31/60/397993160.db2.gz KNAHUBSAWLEJJN-LLVKDONJSA-N 2 2 224.348 2.129 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000166885195 398003461 /nfs/dbraw/zinc/00/34/61/398003461.db2.gz GKCZGCCKYLYJMP-JQWIXIFHSA-N 2 2 224.373 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000166885195 398003463 /nfs/dbraw/zinc/00/34/63/398003463.db2.gz GKCZGCCKYLYJMP-JQWIXIFHSA-N 2 2 224.373 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000034958082 398017792 /nfs/dbraw/zinc/01/77/92/398017792.db2.gz JYQMRSMEZURZNX-LBPRGKRZSA-N 2 2 209.337 2.297 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414818390 398043255 /nfs/dbraw/zinc/04/32/55/398043255.db2.gz DXNCKFDRLCCGSZ-UHFFFAOYSA-N 2 2 241.338 2.058 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000648450099 398051809 /nfs/dbraw/zinc/05/18/09/398051809.db2.gz SWHOBRNZFHQSHL-WFASDCNBSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450099 398051810 /nfs/dbraw/zinc/05/18/10/398051810.db2.gz SWHOBRNZFHQSHL-WFASDCNBSA-N 2 2 248.370 2.285 20 0 BEADLP CCc1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000051721695 398057752 /nfs/dbraw/zinc/05/77/52/398057752.db2.gz YBCFJNHOGFDRBA-UHFFFAOYSA-N 2 2 236.359 2.418 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]CCn1cc[nH+]c1 ZINC000289042639 398099890 /nfs/dbraw/zinc/09/98/90/398099890.db2.gz AVZOGEJFGREFHL-GFCCVEGCSA-N 2 2 209.337 2.155 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]CCn1cc[nH+]c1 ZINC000289044374 398099929 /nfs/dbraw/zinc/09/99/29/398099929.db2.gz AVZOGEJFGREFHL-LBPRGKRZSA-N 2 2 209.337 2.155 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccco1 ZINC000062769604 1172780538 /nfs/dbraw/zinc/78/05/38/1172780538.db2.gz WDUGZXFUFMPYIY-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccco1 ZINC000062769604 1172780542 /nfs/dbraw/zinc/78/05/42/1172780542.db2.gz WDUGZXFUFMPYIY-STQMWFEESA-N 2 2 236.359 2.285 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000258850349 322879000 /nfs/dbraw/zinc/87/90/00/322879000.db2.gz HUHOLZKKUCFBOG-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP c1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000259006323 322881102 /nfs/dbraw/zinc/88/11/02/322881102.db2.gz XFTQBEFTAXXKJP-LBPRGKRZSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CS1 ZINC000086935733 487586235 /nfs/dbraw/zinc/58/62/35/487586235.db2.gz FRFCIBWCDQDNHJ-NWDGAFQWSA-N 2 2 239.388 2.147 20 0 BEADLP CCC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662244131 409534135 /nfs/dbraw/zinc/53/41/35/409534135.db2.gz CQGSBOVUIMTUAX-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP CCC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000662244131 409534144 /nfs/dbraw/zinc/53/41/44/409534144.db2.gz CQGSBOVUIMTUAX-CRWXNKLISA-N 2 2 222.376 2.106 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2CCCc1ccsc1 ZINC000662305286 409628529 /nfs/dbraw/zinc/62/85/29/409628529.db2.gz HIYQRCICYPIMMW-UHFFFAOYSA-N 2 2 236.384 2.104 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2CCCc1ccsc1 ZINC000662305286 409628536 /nfs/dbraw/zinc/62/85/36/409628536.db2.gz HIYQRCICYPIMMW-UHFFFAOYSA-N 2 2 236.384 2.104 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662308130 409631212 /nfs/dbraw/zinc/63/12/12/409631212.db2.gz NYXQQLNYXJZHDF-UHFFFAOYSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662308130 409631215 /nfs/dbraw/zinc/63/12/15/409631215.db2.gz NYXQQLNYXJZHDF-UHFFFAOYSA-N 2 2 230.355 2.227 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC1(C)C ZINC000662343864 409656398 /nfs/dbraw/zinc/65/63/98/409656398.db2.gz CVNGOIRFKANGOB-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC1(C)C ZINC000662343864 409656404 /nfs/dbraw/zinc/65/64/04/409656404.db2.gz CVNGOIRFKANGOB-GFCCVEGCSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1cc(C)c(C[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000663502535 410277791 /nfs/dbraw/zinc/27/77/91/410277791.db2.gz UPALLWXNPUSOBX-UHFFFAOYSA-N 2 2 244.382 2.453 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000328147626 487616962 /nfs/dbraw/zinc/61/69/62/487616962.db2.gz CNXXZFLYOYYOSN-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000328147626 487616968 /nfs/dbraw/zinc/61/69/68/487616968.db2.gz CNXXZFLYOYYOSN-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000393260268 410671860 /nfs/dbraw/zinc/67/18/60/410671860.db2.gz BVPAIKNWAZAYJJ-CYBMUJFWSA-N 2 2 242.432 2.204 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000393260268 410671867 /nfs/dbraw/zinc/67/18/67/410671867.db2.gz BVPAIKNWAZAYJJ-CYBMUJFWSA-N 2 2 242.432 2.204 20 0 BEADLP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1C ZINC000665294187 410782734 /nfs/dbraw/zinc/78/27/34/410782734.db2.gz JXKKMVXVHUOBBN-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000665295384 410795503 /nfs/dbraw/zinc/79/55/03/410795503.db2.gz CPUHTWRORVCDMU-GXTWGEPZSA-N 2 2 235.375 2.366 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000665295333 410795864 /nfs/dbraw/zinc/79/58/64/410795864.db2.gz CBGPRCLYBVBEHX-FZMZJTMJSA-N 2 2 236.359 2.344 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000039149923 410802693 /nfs/dbraw/zinc/80/26/93/410802693.db2.gz BCPISLXKIKVBAS-TZMCWYRMSA-N 2 2 218.344 2.479 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000665296305 410810256 /nfs/dbraw/zinc/81/02/56/410810256.db2.gz QHLBPQYUBOUPJM-NEPJUHHUSA-N 2 2 243.354 2.493 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000665296307 410810546 /nfs/dbraw/zinc/81/05/46/410810546.db2.gz QHLBPQYUBOUPJM-RYUDHWBXSA-N 2 2 243.354 2.493 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276919 410748594 /nfs/dbraw/zinc/74/85/94/410748594.db2.gz OZTAWTOHVGQACK-OPFPJEHXSA-N 2 2 230.355 2.398 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000651268514 410891549 /nfs/dbraw/zinc/89/15/49/410891549.db2.gz PBJPIGYADMQCMA-SDDRHHMPSA-N 2 2 212.381 2.351 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000651268514 410891553 /nfs/dbraw/zinc/89/15/53/410891553.db2.gz PBJPIGYADMQCMA-SDDRHHMPSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201207 167006013 /nfs/dbraw/zinc/00/60/13/167006013.db2.gz BSWOSPFIVHIRRX-LBPRGKRZSA-N 2 2 200.370 2.208 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC12CCC2 ZINC000336764458 169781251 /nfs/dbraw/zinc/78/12/51/169781251.db2.gz PZRBQWBNEISLIS-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000052575479 167119120 /nfs/dbraw/zinc/11/91/20/167119120.db2.gz HKJCXOBFVBGBHB-UHFFFAOYSA-N 2 2 229.327 2.429 20 0 BEADLP CC(C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000182082113 167140963 /nfs/dbraw/zinc/14/09/63/167140963.db2.gz MFJDGGVFISXFHS-UONOGXRCSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000182082113 167140966 /nfs/dbraw/zinc/14/09/66/167140966.db2.gz MFJDGGVFISXFHS-UONOGXRCSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000309316930 167144559 /nfs/dbraw/zinc/14/45/59/167144559.db2.gz DGOSKFCQJPKING-UHFFFAOYSA-N 2 2 216.288 2.147 20 0 BEADLP CO[C@@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)C1(C)C ZINC000397542101 410925748 /nfs/dbraw/zinc/92/57/48/410925748.db2.gz VOHKYCJHWCNOSF-ZIAGYGMSSA-N 2 2 248.370 2.336 20 0 BEADLP CO[C@@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)C1(C)C ZINC000397542099 410926638 /nfs/dbraw/zinc/92/66/38/410926638.db2.gz VOHKYCJHWCNOSF-UONOGXRCSA-N 2 2 248.370 2.336 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000683141370 487620107 /nfs/dbraw/zinc/62/01/07/487620107.db2.gz GVYDUPUXCWRRQY-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000683141370 487620108 /nfs/dbraw/zinc/62/01/08/487620108.db2.gz GVYDUPUXCWRRQY-QWHCGFSZSA-N 2 2 230.371 2.398 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000651685272 411135946 /nfs/dbraw/zinc/13/59/46/411135946.db2.gz PAOSRJUYBRSPLZ-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3c2CCC3)C1 ZINC000651685272 411135947 /nfs/dbraw/zinc/13/59/47/411135947.db2.gz PAOSRJUYBRSPLZ-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000651685321 411136094 /nfs/dbraw/zinc/13/60/94/411136094.db2.gz PZFQUZIDRVWUJJ-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000651685321 411136096 /nfs/dbraw/zinc/13/60/96/411136096.db2.gz PZFQUZIDRVWUJJ-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911595 411150127 /nfs/dbraw/zinc/15/01/27/411150127.db2.gz KXQYGQYBXMEVHC-RVMXOQNASA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911595 411150128 /nfs/dbraw/zinc/15/01/28/411150128.db2.gz KXQYGQYBXMEVHC-RVMXOQNASA-N 2 2 224.392 2.351 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657931998 411171275 /nfs/dbraw/zinc/17/12/75/411171275.db2.gz UZNGGIFFBCWACY-AWEZNQCLSA-N 2 2 246.354 2.234 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000658094712 411242941 /nfs/dbraw/zinc/24/29/41/411242941.db2.gz AKQFNJPRCGYOOC-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000658094712 411242943 /nfs/dbraw/zinc/24/29/43/411242943.db2.gz AKQFNJPRCGYOOC-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC(CF)(CF)C2)CCC1 ZINC000657986161 411190111 /nfs/dbraw/zinc/19/01/11/411190111.db2.gz XDFBPVOXZABCIN-UHFFFAOYSA-N 2 2 246.345 2.148 20 0 BEADLP CC1CC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658097441 411245046 /nfs/dbraw/zinc/24/50/46/411245046.db2.gz XPHXCRMYUPJNJS-MOENNCHZSA-N 2 2 210.365 2.247 20 0 BEADLP CC1CC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658097441 411245047 /nfs/dbraw/zinc/24/50/47/411245047.db2.gz XPHXCRMYUPJNJS-MOENNCHZSA-N 2 2 210.365 2.247 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000310061772 411200971 /nfs/dbraw/zinc/20/09/71/411200971.db2.gz BAAKDCYHTWMKPA-GFCCVEGCSA-N 2 2 239.363 2.066 20 0 BEADLP COCc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000652330235 411202542 /nfs/dbraw/zinc/20/25/42/411202542.db2.gz AAYJPZCDMXZFDU-DGCLKSJQSA-N 2 2 249.358 2.123 20 0 BEADLP COCc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000652330235 411202543 /nfs/dbraw/zinc/20/25/43/411202543.db2.gz AAYJPZCDMXZFDU-DGCLKSJQSA-N 2 2 249.358 2.123 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000656200270 411204945 /nfs/dbraw/zinc/20/49/45/411204945.db2.gz KPPPVYMSJIIUMY-SMDDNHRTSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000656212052 411210489 /nfs/dbraw/zinc/21/04/89/411210489.db2.gz XRJJVAZFXCZXCQ-KLPPZKSPSA-N 2 2 246.358 2.106 20 0 BEADLP CCOC1CCC([NH2+][C@H]2CC[N@H+](CC)C2)CC1 ZINC000658036792 411211962 /nfs/dbraw/zinc/21/19/62/411211962.db2.gz RKENEYBDEFWMLN-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+][C@H]2CC[N@@H+](CC)C2)CC1 ZINC000658036792 411211966 /nfs/dbraw/zinc/21/19/66/411211966.db2.gz RKENEYBDEFWMLN-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655683976 411225141 /nfs/dbraw/zinc/22/51/41/411225141.db2.gz KLBWXUBOPFDPIN-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655683973 411225316 /nfs/dbraw/zinc/22/53/16/411225316.db2.gz KLBWXUBOPFDPIN-NEPJUHHUSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H]([NH2+]C1(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422940226 411235489 /nfs/dbraw/zinc/23/54/89/411235489.db2.gz SNRIQKDXNRPKHM-TZMCWYRMSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@H+](C)C1CC1 ZINC000655717264 411276798 /nfs/dbraw/zinc/27/67/98/411276798.db2.gz ZKWYJNQSFBEEPA-TUAOUCFPSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)SC1)[N@@H+](C)C1CC1 ZINC000655717264 411276802 /nfs/dbraw/zinc/27/68/02/411276802.db2.gz ZKWYJNQSFBEEPA-TUAOUCFPSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655718780 411279193 /nfs/dbraw/zinc/27/91/93/411279193.db2.gz MTVJPULHBWRYCF-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655718780 411279195 /nfs/dbraw/zinc/27/91/95/411279195.db2.gz MTVJPULHBWRYCF-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cc2[nH+]cn(C[C@H]3CC[NH2+]C3)c2cc1C ZINC000051890259 411286300 /nfs/dbraw/zinc/28/63/00/411286300.db2.gz LIRFYULFRXPSFH-LBPRGKRZSA-N 2 2 229.327 2.263 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658206770 411293680 /nfs/dbraw/zinc/29/36/80/411293680.db2.gz QIYYROGDOPMEED-GADBESIXSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658206770 411293684 /nfs/dbraw/zinc/29/36/84/411293684.db2.gz QIYYROGDOPMEED-GADBESIXSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658223128 411302258 /nfs/dbraw/zinc/30/22/58/411302258.db2.gz YDDNNESLWUHPSA-USWWRNFRSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000658223128 411302262 /nfs/dbraw/zinc/30/22/62/411302262.db2.gz YDDNNESLWUHPSA-USWWRNFRSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658223131 411302471 /nfs/dbraw/zinc/30/24/71/411302471.db2.gz YDDNNESLWUHPSA-YUSALJHKSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000658223131 411302473 /nfs/dbraw/zinc/30/24/73/411302473.db2.gz YDDNNESLWUHPSA-YUSALJHKSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC2(C)C)C[N@@H+]1C1CC1 ZINC000658309620 411330967 /nfs/dbraw/zinc/33/09/67/411330967.db2.gz XWYHCRDIFSIXFR-GYSYKLTISA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC2(C)C)C[N@H+]1C1CC1 ZINC000658309620 411330970 /nfs/dbraw/zinc/33/09/70/411330970.db2.gz XWYHCRDIFSIXFR-GYSYKLTISA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)CC1([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000658321341 411333456 /nfs/dbraw/zinc/33/34/56/411333456.db2.gz OKCAQSDYGZOSCF-VXGBXAGGSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CC1([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000658321341 411333458 /nfs/dbraw/zinc/33/34/58/411333458.db2.gz OKCAQSDYGZOSCF-VXGBXAGGSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658286377 411323709 /nfs/dbraw/zinc/32/37/09/411323709.db2.gz RUUHNAQMBDKBIK-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658286377 411323710 /nfs/dbraw/zinc/32/37/10/411323710.db2.gz RUUHNAQMBDKBIK-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000130516855 411357888 /nfs/dbraw/zinc/35/78/88/411357888.db2.gz KOLXMKDMRRWYAG-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000130516855 411357893 /nfs/dbraw/zinc/35/78/93/411357893.db2.gz KOLXMKDMRRWYAG-TZMCWYRMSA-N 2 2 248.370 2.007 20 0 BEADLP CC(C)C[C@@H](C)C[N@H+](C)CC(C)(C)[NH3+] ZINC000656785359 411360424 /nfs/dbraw/zinc/36/04/24/411360424.db2.gz NSVDOBWRBLHPFA-LLVKDONJSA-N 2 2 200.370 2.338 20 0 BEADLP CC(C)C[C@@H](C)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656785359 411360426 /nfs/dbraw/zinc/36/04/26/411360426.db2.gz NSVDOBWRBLHPFA-LLVKDONJSA-N 2 2 200.370 2.338 20 0 BEADLP C[N@H+](Cc1cnc2ccccc2c1)CC(C)(C)[NH3+] ZINC000656785057 411363129 /nfs/dbraw/zinc/36/31/29/411363129.db2.gz JVRZUCHLMWJJRC-UHFFFAOYSA-N 2 2 243.354 2.404 20 0 BEADLP C[N@@H+](Cc1cnc2ccccc2c1)CC(C)(C)[NH3+] ZINC000656785057 411363133 /nfs/dbraw/zinc/36/31/33/411363133.db2.gz JVRZUCHLMWJJRC-UHFFFAOYSA-N 2 2 243.354 2.404 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2c(F)cccc2F)CCCC1 ZINC000656788431 411367831 /nfs/dbraw/zinc/36/78/31/411367831.db2.gz PBBDIOIEJINGGZ-UHFFFAOYSA-N 2 2 240.297 2.326 20 0 BEADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661969034 411338409 /nfs/dbraw/zinc/33/84/09/411338409.db2.gz AXBZHZKHUGBRJY-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661969034 411338414 /nfs/dbraw/zinc/33/84/14/411338414.db2.gz AXBZHZKHUGBRJY-STQMWFEESA-N 2 2 241.338 2.485 20 0 BEADLP CC1(C)[C@@H]2C[N@@H+](Cc3cccc4[nH+]ccn43)C[C@@H]21 ZINC000180445142 168013453 /nfs/dbraw/zinc/01/34/53/168013453.db2.gz MFWUMHPTAAQOPR-BETUJISGSA-N 2 2 241.338 2.422 20 0 BEADLP CC1(C)[C@@H]2C[N@H+](Cc3cccc4[nH+]ccn43)C[C@@H]21 ZINC000180445142 168013455 /nfs/dbraw/zinc/01/34/55/168013455.db2.gz MFWUMHPTAAQOPR-BETUJISGSA-N 2 2 241.338 2.422 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000336781887 168111527 /nfs/dbraw/zinc/11/15/27/168111527.db2.gz WAARNZCJJASEKJ-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000336781887 168111530 /nfs/dbraw/zinc/11/15/30/168111530.db2.gz WAARNZCJJASEKJ-ZIAGYGMSSA-N 2 2 222.376 2.417 20 0 BEADLP CC1CC([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000123570924 168145548 /nfs/dbraw/zinc/14/55/48/168145548.db2.gz CWVLQDJCFMCJAW-GDKBPFBDSA-N 2 2 204.317 2.075 20 0 BEADLP CC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000020126745 168162345 /nfs/dbraw/zinc/16/23/45/168162345.db2.gz NUFOESUFYLMEPX-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000020125685 168163222 /nfs/dbraw/zinc/16/32/22/168163222.db2.gz PMHUBCGAWJXUET-UHFFFAOYSA-N 2 2 212.381 2.495 20 0 BEADLP CC1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040671724 168163875 /nfs/dbraw/zinc/16/38/75/168163875.db2.gz GBLIKIJJPZYQAK-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671724 168163877 /nfs/dbraw/zinc/16/38/77/168163877.db2.gz GBLIKIJJPZYQAK-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000336751640 168164816 /nfs/dbraw/zinc/16/48/16/168164816.db2.gz GODSGZHAAVXPRL-PYNQCMFNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000336751640 168164819 /nfs/dbraw/zinc/16/48/19/168164819.db2.gz GODSGZHAAVXPRL-PYNQCMFNSA-N 2 2 210.365 2.105 20 0 BEADLP CC1CC[NH+](CC[NH2+]C2CC(C)(C)C2)CC1 ZINC000336738111 168181886 /nfs/dbraw/zinc/18/18/86/168181886.db2.gz KAGSYVLHEWWUCV-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CCC(=O)CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000289245087 168199049 /nfs/dbraw/zinc/19/90/49/168199049.db2.gz BAIABNAXEWDKRW-UHFFFAOYSA-N 2 2 249.358 2.279 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662233530 411382177 /nfs/dbraw/zinc/38/21/77/411382177.db2.gz GJTRBPYLBJINLQ-HPCHECBXSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662233530 411382181 /nfs/dbraw/zinc/38/21/81/411382181.db2.gz GJTRBPYLBJINLQ-HPCHECBXSA-N 2 2 222.376 2.234 20 0 BEADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000274683853 168302920 /nfs/dbraw/zinc/30/29/20/168302920.db2.gz NNZWBYGRSSXBFP-LLVKDONJSA-N 2 2 249.358 2.495 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](C)C2)n1C ZINC000657300103 411455698 /nfs/dbraw/zinc/45/56/98/411455698.db2.gz IIGHGXPDNJQTPI-JQWIXIFHSA-N 2 2 221.348 2.397 20 0 BEADLP COCC(C)(C)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000657306413 411458359 /nfs/dbraw/zinc/45/83/59/411458359.db2.gz IZSKXZGBCHKVAM-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)CCO1 ZINC000070360183 411408434 /nfs/dbraw/zinc/40/84/34/411408434.db2.gz FSUOUILDJPVEKK-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405069343 411415342 /nfs/dbraw/zinc/41/53/42/411415342.db2.gz VKVBPMKRBXNBHZ-LLVKDONJSA-N 2 2 246.345 2.481 20 0 BEADLP CC(C)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265548951 411416638 /nfs/dbraw/zinc/41/66/38/411416638.db2.gz YJPFQNCGKYYJHN-UHFFFAOYSA-N 2 2 207.321 2.245 20 0 BEADLP CC[C@H]1C[N@H+](Cc2csc(C)n2)CC[C@@H]1[NH3+] ZINC000122307208 411427907 /nfs/dbraw/zinc/42/79/07/411427907.db2.gz QKTNJGIJGQFKQF-JQWIXIFHSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2csc(C)n2)CC[C@@H]1[NH3+] ZINC000122307208 411427909 /nfs/dbraw/zinc/42/79/09/411427909.db2.gz QKTNJGIJGQFKQF-JQWIXIFHSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285853 411444183 /nfs/dbraw/zinc/44/41/83/411444183.db2.gz MZSLRTBHWNZDQG-AAEUAGOBSA-N 2 2 233.359 2.498 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CC=CCC1)CCC2 ZINC000657333049 411463875 /nfs/dbraw/zinc/46/38/75/411463875.db2.gz UNVBVCZPEZMGBP-LBPRGKRZSA-N 2 2 231.343 2.275 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000128911412 411447526 /nfs/dbraw/zinc/44/75/26/411447526.db2.gz WBVZOWJKJRQBAH-AWEZNQCLSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000128911412 411447527 /nfs/dbraw/zinc/44/75/27/411447527.db2.gz WBVZOWJKJRQBAH-AWEZNQCLSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC000217594587 411450629 /nfs/dbraw/zinc/45/06/29/411450629.db2.gz ZEZAPXXZJPONGS-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000217594587 411450637 /nfs/dbraw/zinc/45/06/37/411450637.db2.gz ZEZAPXXZJPONGS-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C1CCCCC1)CCC2 ZINC000657290198 411452051 /nfs/dbraw/zinc/45/20/51/411452051.db2.gz LDIZMIJXVGGAEJ-UHFFFAOYSA-N 2 2 219.332 2.252 20 0 BEADLP CCCC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657357051 411478555 /nfs/dbraw/zinc/47/85/55/411478555.db2.gz VMJMWXCKEANEEX-UHFFFAOYSA-N 2 2 221.348 2.498 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388843 411489774 /nfs/dbraw/zinc/48/97/74/411489774.db2.gz PEMWEBCQQKTUTO-LBPRGKRZSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657394672 411493888 /nfs/dbraw/zinc/49/38/88/411493888.db2.gz MNOLTFWXWIQCNQ-AAEUAGOBSA-N 2 2 233.359 2.498 20 0 BEADLP CCc1ccc[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000657415434 411499599 /nfs/dbraw/zinc/49/95/99/411499599.db2.gz JRNTZCHHQQXOHZ-UHFFFAOYSA-N 2 2 242.326 2.399 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC13CCC(CC1)C3)CCC2 ZINC000657418825 411501824 /nfs/dbraw/zinc/50/18/24/411501824.db2.gz LYUJYWPLANFANM-UHFFFAOYSA-N 2 2 245.370 2.499 20 0 BEADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077858 411534675 /nfs/dbraw/zinc/53/46/75/411534675.db2.gz QOWOZFALETTWOD-NWDGAFQWSA-N 2 2 249.358 2.157 20 0 BEADLP CC1(C)C[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077858 411534678 /nfs/dbraw/zinc/53/46/78/411534678.db2.gz QOWOZFALETTWOD-NWDGAFQWSA-N 2 2 249.358 2.157 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)n1C ZINC000657456295 411516461 /nfs/dbraw/zinc/51/64/61/411516461.db2.gz WBVPMLPIZNWYHX-SNVBAGLBSA-N 2 2 243.301 2.254 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2CC(C)C)n1C ZINC000657487538 411531071 /nfs/dbraw/zinc/53/10/71/411531071.db2.gz FGWGBQPXNCGWCV-DGCLKSJQSA-N 2 2 221.348 2.253 20 0 BEADLP CCOC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849733 411538402 /nfs/dbraw/zinc/53/84/02/411538402.db2.gz YHDFVWYEQJAZBW-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849733 411538404 /nfs/dbraw/zinc/53/84/04/411538404.db2.gz YHDFVWYEQJAZBW-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC2CCC(F)CC2)n1C ZINC000657501300 411538516 /nfs/dbraw/zinc/53/85/16/411538516.db2.gz WOBKHBHLHMLJCU-UHFFFAOYSA-N 2 2 239.338 2.346 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000336904328 170020615 /nfs/dbraw/zinc/02/06/15/170020615.db2.gz VXZTYOPJCMGVCT-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000336904328 170020616 /nfs/dbraw/zinc/02/06/16/170020616.db2.gz VXZTYOPJCMGVCT-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000328454188 170020711 /nfs/dbraw/zinc/02/07/11/170020711.db2.gz DXXCCIUVXRTVRU-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000328454188 170020712 /nfs/dbraw/zinc/02/07/12/170020712.db2.gz DXXCCIUVXRTVRU-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000328531957 170022036 /nfs/dbraw/zinc/02/20/36/170022036.db2.gz XYIYAGCKTZXSCH-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000328531957 170022038 /nfs/dbraw/zinc/02/20/38/170022038.db2.gz XYIYAGCKTZXSCH-AGIUHOORSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccnc1 ZINC000175591719 170024682 /nfs/dbraw/zinc/02/46/82/170024682.db2.gz NKDFVLBQONGIGK-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccnc1 ZINC000175591719 170024684 /nfs/dbraw/zinc/02/46/84/170024684.db2.gz NKDFVLBQONGIGK-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000175591719 170024686 /nfs/dbraw/zinc/02/46/86/170024686.db2.gz NKDFVLBQONGIGK-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC000175591719 170024688 /nfs/dbraw/zinc/02/46/88/170024688.db2.gz NKDFVLBQONGIGK-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC(C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655856666 411539419 /nfs/dbraw/zinc/53/94/19/411539419.db2.gz QBAOOLMNQRXIBI-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655856666 411539421 /nfs/dbraw/zinc/53/94/21/411539421.db2.gz QBAOOLMNQRXIBI-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000336777913 170029155 /nfs/dbraw/zinc/02/91/55/170029155.db2.gz JVRSQZGKUCNJDM-ZJUUUORDSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000336777913 170029156 /nfs/dbraw/zinc/02/91/56/170029156.db2.gz JVRSQZGKUCNJDM-ZJUUUORDSA-N 2 2 238.297 2.259 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC)CC2)C1 ZINC000336766188 170030133 /nfs/dbraw/zinc/03/01/33/170030133.db2.gz RJTYFMZTPJOALG-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC)CC2)C1 ZINC000336766188 170030135 /nfs/dbraw/zinc/03/01/35/170030135.db2.gz RJTYFMZTPJOALG-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)CC)C1 ZINC000309064994 170031791 /nfs/dbraw/zinc/03/17/91/170031791.db2.gz YUOHIIQXZXWYSV-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)CC)C1 ZINC000309064994 170031793 /nfs/dbraw/zinc/03/17/93/170031793.db2.gz YUOHIIQXZXWYSV-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2(C)CC2)C1 ZINC000309044325 170037500 /nfs/dbraw/zinc/03/75/00/170037500.db2.gz NJBZITMIXGEEKS-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2(C)CC2)C1 ZINC000309044325 170037502 /nfs/dbraw/zinc/03/75/02/170037502.db2.gz NJBZITMIXGEEKS-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000309922719 170038268 /nfs/dbraw/zinc/03/82/68/170038268.db2.gz TTWFTDQYIWIJPJ-YNEHKIRRSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000309922719 170038269 /nfs/dbraw/zinc/03/82/69/170038269.db2.gz TTWFTDQYIWIJPJ-YNEHKIRRSA-N 2 2 242.432 2.059 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000309040462 170038707 /nfs/dbraw/zinc/03/87/07/170038707.db2.gz KXYLYZNRGCHJIP-YNEHKIRRSA-N 2 2 208.349 2.025 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000309040462 170038708 /nfs/dbraw/zinc/03/87/08/170038708.db2.gz KXYLYZNRGCHJIP-YNEHKIRRSA-N 2 2 208.349 2.025 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC000336781543 170039433 /nfs/dbraw/zinc/03/94/33/170039433.db2.gz UWWCFAOYDNGXAR-XQQFMLRXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC000336781543 170039434 /nfs/dbraw/zinc/03/94/34/170039434.db2.gz UWWCFAOYDNGXAR-XQQFMLRXSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(F)(F)F)C1 ZINC000309976822 170040188 /nfs/dbraw/zinc/04/01/88/170040188.db2.gz UAZFBWHXLWEFSU-IVZWLZJFSA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(F)(F)F)C1 ZINC000309976822 170040189 /nfs/dbraw/zinc/04/01/89/170040189.db2.gz UAZFBWHXLWEFSU-IVZWLZJFSA-N 2 2 238.297 2.257 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527679 411541462 /nfs/dbraw/zinc/54/14/62/411541462.db2.gz XHZRBLJWZZIMNF-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527679 411541463 /nfs/dbraw/zinc/54/14/63/411541463.db2.gz XHZRBLJWZZIMNF-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523750 411541600 /nfs/dbraw/zinc/54/16/00/411541600.db2.gz IOEQWOKKWWCDQD-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523750 411541602 /nfs/dbraw/zinc/54/16/02/411541602.db2.gz IOEQWOKKWWCDQD-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000657524824 411543466 /nfs/dbraw/zinc/54/34/66/411543466.db2.gz MCGKSQRSFGBQNJ-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000657524824 411543468 /nfs/dbraw/zinc/54/34/68/411543468.db2.gz MCGKSQRSFGBQNJ-CMPLNLGQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000657524779 411543538 /nfs/dbraw/zinc/54/35/38/411543538.db2.gz LRPJGQVJVDUYMO-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000657524779 411543540 /nfs/dbraw/zinc/54/35/40/411543540.db2.gz LRPJGQVJVDUYMO-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849729 411537877 /nfs/dbraw/zinc/53/78/77/411537877.db2.gz YHDFVWYEQJAZBW-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849729 411537879 /nfs/dbraw/zinc/53/78/79/411537879.db2.gz YHDFVWYEQJAZBW-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564220 411552663 /nfs/dbraw/zinc/55/26/63/411552663.db2.gz XBSFXACEOSZFQZ-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564220 411552665 /nfs/dbraw/zinc/55/26/65/411552665.db2.gz XBSFXACEOSZFQZ-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000657564416 411553008 /nfs/dbraw/zinc/55/30/08/411553008.db2.gz VBGOQPWAVHVOPQ-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000657564416 411553010 /nfs/dbraw/zinc/55/30/10/411553010.db2.gz VBGOQPWAVHVOPQ-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)O1 ZINC000657564535 411553249 /nfs/dbraw/zinc/55/32/49/411553249.db2.gz WEWMGSUATAZTAJ-VOAKCMCISA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)O1 ZINC000657564535 411553250 /nfs/dbraw/zinc/55/32/50/411553250.db2.gz WEWMGSUATAZTAJ-VOAKCMCISA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000660253453 411560195 /nfs/dbraw/zinc/56/01/95/411560195.db2.gz HOBPOTQEJFIWFI-BETUJISGSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C2(C3CC3)CC2)C1 ZINC000660253453 411560197 /nfs/dbraw/zinc/56/01/97/411560197.db2.gz HOBPOTQEJFIWFI-BETUJISGSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)n1C ZINC000657657323 411571796 /nfs/dbraw/zinc/57/17/96/411571796.db2.gz PNODROWQPWBIDP-DYEKYZERSA-N 2 2 233.359 2.254 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@@H+]1C1CC1 ZINC000657644930 411568740 /nfs/dbraw/zinc/56/87/40/411568740.db2.gz HGVMMHXXRBWNJM-QWRGUYRKSA-N 2 2 228.355 2.339 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)F)C[N@H+]1C1CC1 ZINC000657644930 411568742 /nfs/dbraw/zinc/56/87/42/411568742.db2.gz HGVMMHXXRBWNJM-QWRGUYRKSA-N 2 2 228.355 2.339 20 0 BEADLP CC[C@](C)([NH2+]Cc1c[nH+]c(C)n1C)C1CC1 ZINC000657690009 411578971 /nfs/dbraw/zinc/57/89/71/411578971.db2.gz REVWXWKHLWOVMG-ZDUSSCGKSA-N 2 2 221.348 2.397 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713615 411586462 /nfs/dbraw/zinc/58/64/62/411586462.db2.gz IHOQKOMUBNUDJO-XZDPQHSOSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713615 411586464 /nfs/dbraw/zinc/58/64/64/411586464.db2.gz IHOQKOMUBNUDJO-XZDPQHSOSA-N 2 2 244.382 2.472 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CC2(C)C)n1C ZINC000657760980 411590988 /nfs/dbraw/zinc/59/09/88/411590988.db2.gz COGBZDAZTYZBJC-LBPRGKRZSA-N 2 2 207.321 2.007 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2=CCCC2)C[N@@H+]1C1CC1 ZINC000657749420 411592417 /nfs/dbraw/zinc/59/24/17/411592417.db2.gz BZXIVYDWYJMTAC-DGCLKSJQSA-N 2 2 220.360 2.312 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2=CCCC2)C[N@H+]1C1CC1 ZINC000657749420 411592419 /nfs/dbraw/zinc/59/24/19/411592419.db2.gz BZXIVYDWYJMTAC-DGCLKSJQSA-N 2 2 220.360 2.312 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1=CCCC1)CCC2 ZINC000657749935 411593284 /nfs/dbraw/zinc/59/32/84/411593284.db2.gz ULCNGRPXWJFJPK-UHFFFAOYSA-N 2 2 217.316 2.029 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657826496 411608355 /nfs/dbraw/zinc/60/83/55/411608355.db2.gz VDMJAPKUMDNCOI-JTQLQIEISA-N 2 2 234.334 2.352 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000657875576 411615490 /nfs/dbraw/zinc/61/54/90/411615490.db2.gz GXLYEHCFNJAVJF-ZIAGYGMSSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000657875576 411615493 /nfs/dbraw/zinc/61/54/93/411615493.db2.gz GXLYEHCFNJAVJF-ZIAGYGMSSA-N 2 2 234.387 2.393 20 0 BEADLP Clc1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502855 411685663 /nfs/dbraw/zinc/68/56/63/411685663.db2.gz YEMOBIDEZWTTDS-UHFFFAOYSA-N 2 2 236.746 2.182 20 0 BEADLP Clc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000663502619 411686177 /nfs/dbraw/zinc/68/61/77/411686177.db2.gz WVEBPTCFLPWYMN-UHFFFAOYSA-N 2 2 242.775 2.243 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000663508229 411689439 /nfs/dbraw/zinc/68/94/39/411689439.db2.gz NRQFCXOOOGRAFE-VIFPVBQESA-N 2 2 236.290 2.269 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000663508119 411689742 /nfs/dbraw/zinc/68/97/42/411689742.db2.gz JPWKZQANCUMOFN-SECBINFHSA-N 2 2 242.750 2.046 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000663509121 411690142 /nfs/dbraw/zinc/69/01/42/411690142.db2.gz WQLBDXXMBQCCPE-NSHDSACASA-N 2 2 218.344 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000663509962 411691647 /nfs/dbraw/zinc/69/16/47/411691647.db2.gz NHUIUVLIBRFAEY-DLRQAJBASA-N 2 2 222.307 2.036 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000663510034 411692969 /nfs/dbraw/zinc/69/29/69/411692969.db2.gz NZBARGPYCHTKIT-JTQLQIEISA-N 2 2 248.326 2.139 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000663514913 411696700 /nfs/dbraw/zinc/69/67/00/411696700.db2.gz WBQRLSOPXBXEOC-QMMMGPOBSA-N 2 2 230.714 2.177 20 0 BEADLP Fc1ccc([C@@H]2CC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000661513233 411793946 /nfs/dbraw/zinc/79/39/46/411793946.db2.gz NBEXWCFHHRUQRB-AWEZNQCLSA-N 2 2 245.301 2.469 20 0 BEADLP Fc1ccc([C@@H]2CC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000661513233 411793952 /nfs/dbraw/zinc/79/39/52/411793952.db2.gz NBEXWCFHHRUQRB-AWEZNQCLSA-N 2 2 245.301 2.469 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690735 411840644 /nfs/dbraw/zinc/84/06/44/411840644.db2.gz USOAUTODKIODKP-CYBMUJFWSA-N 2 2 239.338 2.263 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CCF)C1 ZINC000661690735 411840647 /nfs/dbraw/zinc/84/06/47/411840647.db2.gz USOAUTODKIODKP-CYBMUJFWSA-N 2 2 239.338 2.263 20 0 BEADLP Cc1cc(NCC[C@@H](C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000664243203 411894749 /nfs/dbraw/zinc/89/47/49/411894749.db2.gz JPXODJYNSCMQKE-LLVKDONJSA-N 2 2 248.374 2.415 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664173834 411879987 /nfs/dbraw/zinc/87/99/87/411879987.db2.gz HKFYAPKQOQJMAM-NSHDSACASA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664173834 411879993 /nfs/dbraw/zinc/87/99/93/411879993.db2.gz HKFYAPKQOQJMAM-NSHDSACASA-N 2 2 234.347 2.070 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(C)[nH+]1 ZINC000664177316 411881257 /nfs/dbraw/zinc/88/12/57/411881257.db2.gz ZWUQPHLUHMULOY-GFCCVEGCSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(C)[nH+]1 ZINC000664177316 411881262 /nfs/dbraw/zinc/88/12/62/411881262.db2.gz ZWUQPHLUHMULOY-GFCCVEGCSA-N 2 2 248.374 2.378 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662243310 412039728 /nfs/dbraw/zinc/03/97/28/412039728.db2.gz AUIHWTPBUWYFSP-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662243310 412039731 /nfs/dbraw/zinc/03/97/31/412039731.db2.gz AUIHWTPBUWYFSP-TUAOUCFPSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+](C)C ZINC000336736757 171032247 /nfs/dbraw/zinc/03/22/47/171032247.db2.gz PQGWOAKCYQDYBS-UPJWGTAASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000308947466 171043275 /nfs/dbraw/zinc/04/32/75/171043275.db2.gz ODMSZBGSYAHZDM-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000308947466 171043278 /nfs/dbraw/zinc/04/32/78/171043278.db2.gz ODMSZBGSYAHZDM-WZRBSPASSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CCn1cc[nH+]c1C ZINC000357525649 171054890 /nfs/dbraw/zinc/05/48/90/171054890.db2.gz FAEXDRCPKLIXAV-WCQYABFASA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@H+]1CCn1cc[nH+]c1C ZINC000357525649 171054891 /nfs/dbraw/zinc/05/48/91/171054891.db2.gz FAEXDRCPKLIXAV-WCQYABFASA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336741012 171061270 /nfs/dbraw/zinc/06/12/70/171061270.db2.gz VDLFIIHEIIGLJT-NQBHXWOUSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336741012 171061272 /nfs/dbraw/zinc/06/12/72/171061272.db2.gz VDLFIIHEIIGLJT-NQBHXWOUSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@H](C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353133972 171282199 /nfs/dbraw/zinc/28/21/99/171282199.db2.gz GTOAILADGAUWTN-LBPRGKRZSA-N 2 2 244.342 2.206 20 0 BEADLP CC[C@H](C)C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000373165185 171285976 /nfs/dbraw/zinc/28/59/76/171285976.db2.gz HEXXDYCVRCTPBO-LBPRGKRZSA-N 2 2 244.342 2.403 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000308954356 171298185 /nfs/dbraw/zinc/29/81/85/171298185.db2.gz QCLRYEVGGRVYSN-RNJOBUHISA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000308954356 171298187 /nfs/dbraw/zinc/29/81/87/171298187.db2.gz QCLRYEVGGRVYSN-RNJOBUHISA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000308954357 171298710 /nfs/dbraw/zinc/29/87/10/171298710.db2.gz QCLRYEVGGRVYSN-ZDEQEGDKSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000308954357 171298713 /nfs/dbraw/zinc/29/87/13/171298713.db2.gz QCLRYEVGGRVYSN-ZDEQEGDKSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163837117 171340136 /nfs/dbraw/zinc/34/01/36/171340136.db2.gz PXDLWPCZLBEHCN-NSHDSACASA-N 2 2 207.321 2.272 20 0 BEADLP CC[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000128495933 171344594 /nfs/dbraw/zinc/34/45/94/171344594.db2.gz ZPZPKFUMPNEZBN-JTQLQIEISA-N 2 2 203.289 2.222 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336743983 171390826 /nfs/dbraw/zinc/39/08/26/171390826.db2.gz YRMQKPGTLTVFQU-ZDEQEGDKSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336743983 171390828 /nfs/dbraw/zinc/39/08/28/171390828.db2.gz YRMQKPGTLTVFQU-ZDEQEGDKSA-N 2 2 212.381 2.493 20 0 BEADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000665242878 412184794 /nfs/dbraw/zinc/18/47/94/412184794.db2.gz NKJUADDPMVBGEK-SGMGOOAPSA-N 2 2 230.355 2.495 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276480 412218867 /nfs/dbraw/zinc/21/88/67/412218867.db2.gz DLGVHZQABFBKIW-BZUNDVKYSA-N 2 2 246.354 2.098 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276615 412219190 /nfs/dbraw/zinc/21/91/90/412219190.db2.gz HYSBHRPKHZLMRP-CUMGRINNSA-N 2 2 246.329 2.155 20 0 BEADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000665277110 412220339 /nfs/dbraw/zinc/22/03/39/412220339.db2.gz UCYHTIRJZIXSTF-DCBWTQNWSA-N 2 2 216.328 2.089 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)o1 ZINC000665278250 412221725 /nfs/dbraw/zinc/22/17/25/412221725.db2.gz ZHQKKNGQWTYCOA-IFQILLTASA-N 2 2 234.343 2.245 20 0 BEADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cn1 ZINC000665279105 412222606 /nfs/dbraw/zinc/22/26/06/412222606.db2.gz XCAHVPVBHITIPP-KHJSKFAYSA-N 2 2 249.333 2.013 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000665293900 412239196 /nfs/dbraw/zinc/23/91/96/412239196.db2.gz FAAOQHZJXUYGRG-NWDGAFQWSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000665293836 412239386 /nfs/dbraw/zinc/23/93/86/412239386.db2.gz DKELQAVHCCANQT-BDAKNGLRSA-N 2 2 228.286 2.223 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000665293837 412239682 /nfs/dbraw/zinc/23/96/82/412239682.db2.gz DKELQAVHCCANQT-DTWKUNHWSA-N 2 2 228.286 2.223 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000665294784 412240971 /nfs/dbraw/zinc/24/09/71/412240971.db2.gz WNVTVLLRGVCGNP-BXUZGUMPSA-N 2 2 248.370 2.091 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000665294787 412241298 /nfs/dbraw/zinc/24/12/98/412241298.db2.gz WNVTVLLRGVCGNP-SMDDNHRTSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000665294896 412241465 /nfs/dbraw/zinc/24/14/65/412241465.db2.gz YKIOVGNMZLAEMD-VXGBXAGGSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000665295424 412242288 /nfs/dbraw/zinc/24/22/88/412242288.db2.gz DITKHPCXYCCIDC-SFYZADRCSA-N 2 2 246.276 2.362 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000665296379 412243470 /nfs/dbraw/zinc/24/34/70/412243470.db2.gz SAOYEYSZCDLIBP-NXEZZACHSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000665297384 412245065 /nfs/dbraw/zinc/24/50/65/412245065.db2.gz FBOJKIUDPVENKY-NWDGAFQWSA-N 2 2 243.354 2.493 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccsc1 ZINC000665298528 412246635 /nfs/dbraw/zinc/24/66/35/412246635.db2.gz XJJWPLHYSZJJFQ-MWLCHTKSSA-N 2 2 212.362 2.397 20 0 BEADLP CCn1c2cc(F)ccc2[nH+]c1CCC[NH3+] ZINC000052124711 172143581 /nfs/dbraw/zinc/14/35/81/172143581.db2.gz YCTHONHBQWOMRO-UHFFFAOYSA-N 2 2 221.279 2.087 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CC=CCC1 ZINC000020125962 172395869 /nfs/dbraw/zinc/39/58/69/172395869.db2.gz WWYOGMCZJRKDTI-GFCCVEGCSA-N 2 2 210.365 2.273 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000328177207 487625857 /nfs/dbraw/zinc/62/58/57/487625857.db2.gz LPLVWCWLVVZINO-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000328177207 487625864 /nfs/dbraw/zinc/62/58/64/487625864.db2.gz LPLVWCWLVVZINO-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000040671727 173020523 /nfs/dbraw/zinc/02/05/23/173020523.db2.gz PJSOSTJBONCFLN-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000040671727 173020525 /nfs/dbraw/zinc/02/05/25/173020525.db2.gz PJSOSTJBONCFLN-CYBMUJFWSA-N 2 2 210.365 2.393 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309543226 173033743 /nfs/dbraw/zinc/03/37/43/173033743.db2.gz GGINZSNKYGYAPS-SYQHCUMBSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309543226 173033745 /nfs/dbraw/zinc/03/37/45/173033745.db2.gz GGINZSNKYGYAPS-SYQHCUMBSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309569046 173034012 /nfs/dbraw/zinc/03/40/12/173034012.db2.gz NCCYXICJDSOUHR-MCIONIFRSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309569046 173034014 /nfs/dbraw/zinc/03/40/14/173034014.db2.gz NCCYXICJDSOUHR-MCIONIFRSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000076683302 173046029 /nfs/dbraw/zinc/04/60/29/173046029.db2.gz APYMBQQUNOVFFZ-AWEZNQCLSA-N 2 2 236.334 2.052 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000076683302 173046031 /nfs/dbraw/zinc/04/60/31/173046031.db2.gz APYMBQQUNOVFFZ-AWEZNQCLSA-N 2 2 236.334 2.052 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2C1 ZINC000121041909 173054386 /nfs/dbraw/zinc/05/43/86/173054386.db2.gz QPEPVHLMKKFBIH-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1Cc2ccccc2C1 ZINC000121041909 173054391 /nfs/dbraw/zinc/05/43/91/173054391.db2.gz QPEPVHLMKKFBIH-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000061988960 173152313 /nfs/dbraw/zinc/15/23/13/173152313.db2.gz RJSFLKPPPSHLQJ-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000061988960 173152315 /nfs/dbraw/zinc/15/23/15/173152315.db2.gz RJSFLKPPPSHLQJ-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000042547688 173152769 /nfs/dbraw/zinc/15/27/69/173152769.db2.gz ABFYSKMYPIFHGI-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)C1 ZINC000042547688 173152771 /nfs/dbraw/zinc/15/27/71/173152771.db2.gz ABFYSKMYPIFHGI-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC000272642057 173159598 /nfs/dbraw/zinc/15/95/98/173159598.db2.gz OLQWMUKCNNTMAV-GJZGRUSLSA-N 2 2 230.355 2.213 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC000272642057 173159600 /nfs/dbraw/zinc/15/96/00/173159600.db2.gz OLQWMUKCNNTMAV-GJZGRUSLSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000272642057 173159601 /nfs/dbraw/zinc/15/96/01/173159601.db2.gz OLQWMUKCNNTMAV-GJZGRUSLSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000272642057 173159603 /nfs/dbraw/zinc/15/96/03/173159603.db2.gz OLQWMUKCNNTMAV-GJZGRUSLSA-N 2 2 230.355 2.213 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706353 173161336 /nfs/dbraw/zinc/16/13/36/173161336.db2.gz ZTCAWLVMQZNSNR-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706353 173161329 /nfs/dbraw/zinc/16/13/29/173161329.db2.gz ZTCAWLVMQZNSNR-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706353 173161331 /nfs/dbraw/zinc/16/13/31/173161331.db2.gz ZTCAWLVMQZNSNR-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000272706353 173161333 /nfs/dbraw/zinc/16/13/33/173161333.db2.gz ZTCAWLVMQZNSNR-ZFWWWQNUSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH2+]C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000336521468 173324171 /nfs/dbraw/zinc/32/41/71/173324171.db2.gz KYJZRPOZLSMQQO-OAHLLOKOSA-N 2 2 248.345 2.497 20 0 BEADLP C[NH2+]CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000070303419 173353899 /nfs/dbraw/zinc/35/38/99/173353899.db2.gz IJBLRVZWZCIASB-UHFFFAOYSA-N 2 2 228.339 2.491 20 0 BEADLP C[NH2+]CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000070303419 173353901 /nfs/dbraw/zinc/35/39/01/173353901.db2.gz IJBLRVZWZCIASB-UHFFFAOYSA-N 2 2 228.339 2.491 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000053034818 173370403 /nfs/dbraw/zinc/37/04/03/173370403.db2.gz ACPOYIROVPCNPO-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000053034818 173370404 /nfs/dbraw/zinc/37/04/04/173370404.db2.gz ACPOYIROVPCNPO-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C ZINC000133082032 173380937 /nfs/dbraw/zinc/38/09/37/173380937.db2.gz BAYXHHSIMLVCRK-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C ZINC000133082032 173380939 /nfs/dbraw/zinc/38/09/39/173380939.db2.gz BAYXHHSIMLVCRK-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000071147712 173381519 /nfs/dbraw/zinc/38/15/19/173381519.db2.gz OJVWFSBTJMCTPK-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000071147712 173381520 /nfs/dbraw/zinc/38/15/20/173381520.db2.gz OJVWFSBTJMCTPK-SNVBAGLBSA-N 2 2 240.297 2.006 20 0 BEADLP COC1(C[NH2+]CC[NH+]2CCCC2)CCCCC1 ZINC000319210648 174000614 /nfs/dbraw/zinc/00/06/14/174000614.db2.gz RFXJKELHIYHNLM-UHFFFAOYSA-N 2 2 240.391 2.021 20 0 BEADLP COCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122758357 174184574 /nfs/dbraw/zinc/18/45/74/174184574.db2.gz MRSIQNVFOCCWDB-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP COCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122758357 174184577 /nfs/dbraw/zinc/18/45/77/174184577.db2.gz MRSIQNVFOCCWDB-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP COC[C@H](CC(C)C)[NH2+]CC[NH+]1CCCCC1 ZINC000359729141 174560175 /nfs/dbraw/zinc/56/01/75/174560175.db2.gz JUOITCHXDHZHGS-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C2CCC2)n1C ZINC000667569288 487629809 /nfs/dbraw/zinc/62/98/09/487629809.db2.gz GAOURFPRCIAHIV-CQSZACIVSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C2CCC2)n1C ZINC000667569288 487629814 /nfs/dbraw/zinc/62/98/14/487629814.db2.gz GAOURFPRCIAHIV-CQSZACIVSA-N 2 2 233.359 2.493 20 0 BEADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+](C)C ZINC000019384808 175207829 /nfs/dbraw/zinc/20/78/29/175207829.db2.gz PLXHMWQSSOJIFM-OAHLLOKOSA-N 2 2 248.370 2.224 20 0 BEADLP COc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000120349699 175256790 /nfs/dbraw/zinc/25/67/90/175256790.db2.gz FYOHMOTZGIXYLP-UHFFFAOYSA-N 2 2 248.370 2.221 20 0 BEADLP COc1ccccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000035274995 175330495 /nfs/dbraw/zinc/33/04/95/175330495.db2.gz NWKODQWULFWMSC-LBPRGKRZSA-N 2 2 245.326 2.070 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324499 175346436 /nfs/dbraw/zinc/34/64/36/175346436.db2.gz WWVSZGSXTMMFSZ-VXGBXAGGSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358408255 175351684 /nfs/dbraw/zinc/35/16/84/175351684.db2.gz SIGVEXGEKQLSCX-MBNYWOFBSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358408255 175351686 /nfs/dbraw/zinc/35/16/86/175351686.db2.gz SIGVEXGEKQLSCX-MBNYWOFBSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cc[nH+]c(Cn2c[nH+]c3c2CCCC3)c1 ZINC000296990085 175361254 /nfs/dbraw/zinc/36/12/54/175361254.db2.gz ZMJHPKOJKOCNLX-UHFFFAOYSA-N 2 2 243.310 2.214 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccco1 ZINC000049553145 175671276 /nfs/dbraw/zinc/67/12/76/175671276.db2.gz KVLZYGFYYXUVPA-WDEREUQCSA-N 2 2 210.321 2.270 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)ccc1Cl ZINC000162035997 175711631 /nfs/dbraw/zinc/71/16/31/175711631.db2.gz DBUYLHCNKUOXHU-ZETCQYMHSA-N 2 2 233.142 2.430 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC2(CCC2)C1 ZINC000309446269 175783876 /nfs/dbraw/zinc/78/38/76/175783876.db2.gz LKNJRAIVRQEEQG-NSHDSACASA-N 2 2 219.332 2.194 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000070643263 175784020 /nfs/dbraw/zinc/78/40/20/175784020.db2.gz NPCJQAYQUWYYRM-GRYCIOLGSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccn1 ZINC000019913196 176070884 /nfs/dbraw/zinc/07/08/84/176070884.db2.gz LWAZCLZRNHZHAO-CQSZACIVSA-N 2 2 247.386 2.436 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccn1 ZINC000019913196 176070885 /nfs/dbraw/zinc/07/08/85/176070885.db2.gz LWAZCLZRNHZHAO-CQSZACIVSA-N 2 2 247.386 2.436 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353633371 176081502 /nfs/dbraw/zinc/08/15/02/176081502.db2.gz WZYYIPKSFMWHSD-WOPDTQHZSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353633371 176081503 /nfs/dbraw/zinc/08/15/03/176081503.db2.gz WZYYIPKSFMWHSD-WOPDTQHZSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353633368 176089380 /nfs/dbraw/zinc/08/93/80/176089380.db2.gz WZYYIPKSFMWHSD-GRYCIOLGSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353633368 176089381 /nfs/dbraw/zinc/08/93/81/176089381.db2.gz WZYYIPKSFMWHSD-GRYCIOLGSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346101486 176089612 /nfs/dbraw/zinc/08/96/12/176089612.db2.gz UEJVAOVQEDJOHQ-HZSPNIEDSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346101486 176089614 /nfs/dbraw/zinc/08/96/14/176089614.db2.gz UEJVAOVQEDJOHQ-HZSPNIEDSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000336678292 176098805 /nfs/dbraw/zinc/09/88/05/176098805.db2.gz BQCYJTCCESXUMR-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000336678292 176098807 /nfs/dbraw/zinc/09/88/07/176098807.db2.gz BQCYJTCCESXUMR-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000044683801 176124593 /nfs/dbraw/zinc/12/45/93/176124593.db2.gz MCEHPZFJUMNZMR-JHJVBQTASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000044683801 176124594 /nfs/dbraw/zinc/12/45/94/176124594.db2.gz MCEHPZFJUMNZMR-JHJVBQTASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309733700 176132606 /nfs/dbraw/zinc/13/26/06/176132606.db2.gz BTEXGZKJEADTMA-VWYCJHECSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309733700 176132608 /nfs/dbraw/zinc/13/26/08/176132608.db2.gz BTEXGZKJEADTMA-VWYCJHECSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336756745 176132645 /nfs/dbraw/zinc/13/26/45/176132645.db2.gz JSRKQGWMVSGDIT-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336756745 176132649 /nfs/dbraw/zinc/13/26/49/176132649.db2.gz JSRKQGWMVSGDIT-NDBYEHHHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831595 176139472 /nfs/dbraw/zinc/13/94/72/176139472.db2.gz YSLVXMTWRFQXEK-MQYQWHSLSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831595 176139475 /nfs/dbraw/zinc/13/94/75/176139475.db2.gz YSLVXMTWRFQXEK-MQYQWHSLSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053342172 176169775 /nfs/dbraw/zinc/16/97/75/176169775.db2.gz WQIOSGCTMZXYFG-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053342172 176169777 /nfs/dbraw/zinc/16/97/77/176169777.db2.gz WQIOSGCTMZXYFG-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000309772312 176213993 /nfs/dbraw/zinc/21/39/93/176213993.db2.gz KSQQYWYFPXLBHQ-MXWKQRLJSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000309772312 176213994 /nfs/dbraw/zinc/21/39/94/176213994.db2.gz KSQQYWYFPXLBHQ-MXWKQRLJSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227196822 176234303 /nfs/dbraw/zinc/23/43/03/176234303.db2.gz NPCJQAYQUWYYRM-UTUOFQBUSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000309455077 176271863 /nfs/dbraw/zinc/27/18/63/176271863.db2.gz NKVBABFJRJWXTE-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000309455077 176271865 /nfs/dbraw/zinc/27/18/65/176271865.db2.gz NKVBABFJRJWXTE-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000309444028 176272341 /nfs/dbraw/zinc/27/23/41/176272341.db2.gz KTXPYOBYERKENC-OCCSQVGLSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000309444028 176272343 /nfs/dbraw/zinc/27/23/43/176272343.db2.gz KTXPYOBYERKENC-OCCSQVGLSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000339513194 176273409 /nfs/dbraw/zinc/27/34/09/176273409.db2.gz UXPMOGJWJUJKEL-MIGQKNRLSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000339513194 176273411 /nfs/dbraw/zinc/27/34/11/176273411.db2.gz UXPMOGJWJUJKEL-MIGQKNRLSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000358024884 176274026 /nfs/dbraw/zinc/27/40/26/176274026.db2.gz NLALEWUDLPXHMH-KCXAZCMYSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000358024884 176274028 /nfs/dbraw/zinc/27/40/28/176274028.db2.gz NLALEWUDLPXHMH-KCXAZCMYSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000309781866 176274923 /nfs/dbraw/zinc/27/49/23/176274923.db2.gz NBWOSEFISLKUFC-AGIUHOORSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000309781866 176274924 /nfs/dbraw/zinc/27/49/24/176274924.db2.gz NBWOSEFISLKUFC-AGIUHOORSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000336776209 176276727 /nfs/dbraw/zinc/27/67/27/176276727.db2.gz FCPVIPQPNJWBDB-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000336776209 176276729 /nfs/dbraw/zinc/27/67/29/176276729.db2.gz FCPVIPQPNJWBDB-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603243 176276959 /nfs/dbraw/zinc/27/69/59/176276959.db2.gz ZPSYGOJKZKAOQQ-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335603243 176276960 /nfs/dbraw/zinc/27/69/60/176276960.db2.gz ZPSYGOJKZKAOQQ-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677215 176277039 /nfs/dbraw/zinc/27/70/39/176277039.db2.gz BLEFECQIYDWMAT-ZWNOBZJWSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677215 176277040 /nfs/dbraw/zinc/27/70/40/176277040.db2.gz BLEFECQIYDWMAT-ZWNOBZJWSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000358215773 176277399 /nfs/dbraw/zinc/27/73/99/176277399.db2.gz GDARKVFVPITLAR-VCTAVGKDSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000358215773 176277400 /nfs/dbraw/zinc/27/74/00/176277400.db2.gz GDARKVFVPITLAR-VCTAVGKDSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000309747135 176281398 /nfs/dbraw/zinc/28/13/98/176281398.db2.gz FVSLNUITFLMFBL-WXHSDQCUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000309747135 176281400 /nfs/dbraw/zinc/28/14/00/176281400.db2.gz FVSLNUITFLMFBL-WXHSDQCUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309747133 176281445 /nfs/dbraw/zinc/28/14/45/176281445.db2.gz FVSLNUITFLMFBL-RAIGVLPGSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000309747133 176281447 /nfs/dbraw/zinc/28/14/47/176281447.db2.gz FVSLNUITFLMFBL-RAIGVLPGSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000336783186 176282433 /nfs/dbraw/zinc/28/24/33/176282433.db2.gz ZQQQWRHJYIYOFQ-YPMHNXCESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(C)CC1 ZINC000336783186 176282435 /nfs/dbraw/zinc/28/24/35/176282435.db2.gz ZQQQWRHJYIYOFQ-YPMHNXCESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1[NH3+] ZINC000235403079 176305147 /nfs/dbraw/zinc/30/51/47/176305147.db2.gz VQERWZOULGFWPN-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1[NH3+] ZINC000235403079 176305148 /nfs/dbraw/zinc/30/51/48/176305148.db2.gz VQERWZOULGFWPN-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000336779310 176354911 /nfs/dbraw/zinc/35/49/11/176354911.db2.gz NXRHQCLFZCLAPK-JHJVBQTASA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000336779310 176354912 /nfs/dbraw/zinc/35/49/12/176354912.db2.gz NXRHQCLFZCLAPK-JHJVBQTASA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000049714433 176371676 /nfs/dbraw/zinc/37/16/76/176371676.db2.gz IQUMHWKCVVIFHI-KOLCDFICSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000049714433 176371678 /nfs/dbraw/zinc/37/16/78/176371678.db2.gz IQUMHWKCVVIFHI-KOLCDFICSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000290402044 176374721 /nfs/dbraw/zinc/37/47/21/176374721.db2.gz SYVDJRVBMODTSI-BXUZGUMPSA-N 2 2 218.344 2.386 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)CC(C)(C)C1 ZINC000019279434 176374862 /nfs/dbraw/zinc/37/48/62/176374862.db2.gz VDBLEXLJBNFLJP-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@@H+]1C1CC1 ZINC000231632363 176375144 /nfs/dbraw/zinc/37/51/44/176375144.db2.gz XIPBMMLPLHCOQY-GHMZBOCLSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)C[N@H+]1C1CC1 ZINC000231632363 176375145 /nfs/dbraw/zinc/37/51/45/176375145.db2.gz XIPBMMLPLHCOQY-GHMZBOCLSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC2(C)C)C[N@@H+]1C1CC1 ZINC000231632274 176376517 /nfs/dbraw/zinc/37/65/17/176376517.db2.gz ZPPJEAQLTUJHEU-GRYCIOLGSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC2(C)C)C[N@H+]1C1CC1 ZINC000231632274 176376518 /nfs/dbraw/zinc/37/65/18/176376518.db2.gz ZPPJEAQLTUJHEU-GRYCIOLGSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC000090720420 176377987 /nfs/dbraw/zinc/37/79/87/176377987.db2.gz JTZPWBHXVXHRFZ-YPMHNXCESA-N 2 2 236.334 2.398 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@H+]1C ZINC000090720420 176377988 /nfs/dbraw/zinc/37/79/88/176377988.db2.gz JTZPWBHXVXHRFZ-YPMHNXCESA-N 2 2 236.334 2.398 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336782438 176397241 /nfs/dbraw/zinc/39/72/41/176397241.db2.gz XQJMHWFHJCRSQB-JHJVBQTASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336782438 176397242 /nfs/dbraw/zinc/39/72/42/176397242.db2.gz XQJMHWFHJCRSQB-JHJVBQTASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)C[N@@H+]1C1CC1 ZINC000336678916 176426105 /nfs/dbraw/zinc/42/61/05/176426105.db2.gz WSTJXKVOLFTVII-MDZLAQPJSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)C[N@H+]1C1CC1 ZINC000336678916 176426108 /nfs/dbraw/zinc/42/61/08/176426108.db2.gz WSTJXKVOLFTVII-MDZLAQPJSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]CCCn1cc[nH+]c1 ZINC000035451974 176642067 /nfs/dbraw/zinc/64/20/67/176642067.db2.gz BDFUJLVNTNMIMU-CYBMUJFWSA-N 2 2 247.342 2.477 20 0 BEADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000038040960 176830909 /nfs/dbraw/zinc/83/09/09/176830909.db2.gz VHBAFLOXXUCPQU-VIFPVBQESA-N 2 2 240.297 2.367 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224191964 177032023 /nfs/dbraw/zinc/03/20/23/177032023.db2.gz HXQYOTZAGYMQRK-ZJUUUORDSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224191964 177032024 /nfs/dbraw/zinc/03/20/24/177032024.db2.gz HXQYOTZAGYMQRK-ZJUUUORDSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000309731166 177075226 /nfs/dbraw/zinc/07/52/26/177075226.db2.gz BDZREJROSMTINO-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000309731166 177075227 /nfs/dbraw/zinc/07/52/27/177075227.db2.gz BDZREJROSMTINO-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053343765 177098173 /nfs/dbraw/zinc/09/81/73/177098173.db2.gz OVVHDPFLAOUZMI-LBPRGKRZSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053343765 177098174 /nfs/dbraw/zinc/09/81/74/177098174.db2.gz OVVHDPFLAOUZMI-LBPRGKRZSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179250525 177100423 /nfs/dbraw/zinc/10/04/23/177100423.db2.gz GIDRLHGHPJAAHO-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000179250525 177100425 /nfs/dbraw/zinc/10/04/25/177100425.db2.gz GIDRLHGHPJAAHO-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000336778292 177117097 /nfs/dbraw/zinc/11/70/97/177117097.db2.gz KZAGZTDZPPYBSR-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000336778292 177117098 /nfs/dbraw/zinc/11/70/98/177117098.db2.gz KZAGZTDZPPYBSR-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000070829435 177125979 /nfs/dbraw/zinc/12/59/79/177125979.db2.gz WDEBAOKPZSZQDD-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1CCC[C@H](C)[NH+]1CCn1cc[nH+]c1 ZINC000161637749 177131083 /nfs/dbraw/zinc/13/10/83/177131083.db2.gz UBUBHLXEIBHDNO-RYUDHWBXSA-N 2 2 207.321 2.146 20 0 BEADLP C[C@H]1CCSCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000279355972 177180422 /nfs/dbraw/zinc/18/04/22/177180422.db2.gz VWDKIWSSXWGDJF-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H]1CCSCC[N@H+]1CCCn1cc[nH+]c1 ZINC000279355972 177180423 /nfs/dbraw/zinc/18/04/23/177180423.db2.gz VWDKIWSSXWGDJF-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300369312 177183963 /nfs/dbraw/zinc/18/39/63/177183963.db2.gz WYEIWLSRMYLTKX-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300369312 177183965 /nfs/dbraw/zinc/18/39/65/177183965.db2.gz WYEIWLSRMYLTKX-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)O1 ZINC000336321399 177202284 /nfs/dbraw/zinc/20/22/84/177202284.db2.gz OVTYRBMHTZZRGK-WCQYABFASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642982 177204768 /nfs/dbraw/zinc/20/47/68/177204768.db2.gz NDSLXCYGMGACPF-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375019 177237219 /nfs/dbraw/zinc/23/72/19/177237219.db2.gz CMZAEQWNEMALIF-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375019 177237220 /nfs/dbraw/zinc/23/72/20/177237220.db2.gz CMZAEQWNEMALIF-WCQYABFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780467 177239076 /nfs/dbraw/zinc/23/90/76/177239076.db2.gz RKHCSCQJSKLXQZ-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780467 177239077 /nfs/dbraw/zinc/23/90/77/177239077.db2.gz RKHCSCQJSKLXQZ-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[NH2+]CC[N@H+](CCC2CCCC2)C1 ZINC000049662259 177282961 /nfs/dbraw/zinc/28/29/61/177282961.db2.gz QQAOQSPTJVALOH-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1C[NH2+]CC[N@@H+](CCC2CCCC2)C1 ZINC000049662259 177282963 /nfs/dbraw/zinc/28/29/63/177282963.db2.gz QQAOQSPTJVALOH-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000312777473 177285035 /nfs/dbraw/zinc/28/50/35/177285035.db2.gz ZUPHRKOLMKWHGY-WCBMZHEXSA-N 2 2 244.791 2.489 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH+](C)C)CC(C)(C)C1 ZINC000019279437 177331798 /nfs/dbraw/zinc/33/17/98/177331798.db2.gz VDBLEXLJBNFLJP-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000309772303 177332031 /nfs/dbraw/zinc/33/20/31/177332031.db2.gz KSOSTVPMUJLYGL-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000309772303 177332032 /nfs/dbraw/zinc/33/20/32/177332032.db2.gz KSOSTVPMUJLYGL-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC000090720422 177332786 /nfs/dbraw/zinc/33/27/86/177332786.db2.gz JTZPWBHXVXHRFZ-AAEUAGOBSA-N 2 2 236.334 2.398 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@H+]1C ZINC000090720422 177332787 /nfs/dbraw/zinc/33/27/87/177332787.db2.gz JTZPWBHXVXHRFZ-AAEUAGOBSA-N 2 2 236.334 2.398 20 0 BEADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000019958324 177351608 /nfs/dbraw/zinc/35/16/08/177351608.db2.gz KRLRTVGVUXAGMY-AAEUAGOBSA-N 2 2 236.359 2.444 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000093643686 177364755 /nfs/dbraw/zinc/36/47/55/177364755.db2.gz RAEVLCSDKRRREY-NWDGAFQWSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000093643686 177364757 /nfs/dbraw/zinc/36/47/57/177364757.db2.gz RAEVLCSDKRRREY-NWDGAFQWSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643686 177364759 /nfs/dbraw/zinc/36/47/59/177364759.db2.gz RAEVLCSDKRRREY-NWDGAFQWSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000093643686 177364760 /nfs/dbraw/zinc/36/47/60/177364760.db2.gz RAEVLCSDKRRREY-NWDGAFQWSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@@H+]1C1CC1 ZINC000129883330 177370937 /nfs/dbraw/zinc/37/09/37/177370937.db2.gz HDTXYFWIKHMBQZ-JQWIXIFHSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@H+]1C1CC1 ZINC000129883330 177370939 /nfs/dbraw/zinc/37/09/39/177370939.db2.gz HDTXYFWIKHMBQZ-JQWIXIFHSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@H]1Cc2[nH+]cn(Cc3c[nH]c[nH+]3)c2C[C@@H]1C ZINC000295142886 177391084 /nfs/dbraw/zinc/39/10/84/177391084.db2.gz LEZUIYQXUJIAGS-UWVGGRQHSA-N 2 2 230.315 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000358145210 177391462 /nfs/dbraw/zinc/39/14/62/177391462.db2.gz ZAIASVKETLNLGF-SHUKQUCYSA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000358145210 177391464 /nfs/dbraw/zinc/39/14/64/177391464.db2.gz ZAIASVKETLNLGF-SHUKQUCYSA-N 2 2 244.382 2.460 20 0 BEADLP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(F)c1 ZINC000228411379 487638866 /nfs/dbraw/zinc/63/88/66/487638866.db2.gz ZQQJUEFBHFROQH-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP CC(C)[NH+](CCc1c[nH+]cn1C)C(C)C ZINC000298551254 487642021 /nfs/dbraw/zinc/64/20/21/487642021.db2.gz UTKBPJLBTXWYOT-UHFFFAOYSA-N 2 2 209.337 2.081 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000488418748 225394326 /nfs/dbraw/zinc/39/43/26/225394326.db2.gz OAAMJPMLYBIZHC-DZGCQCFKSA-N 2 2 232.371 2.364 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000488418748 225394328 /nfs/dbraw/zinc/39/43/28/225394328.db2.gz OAAMJPMLYBIZHC-DZGCQCFKSA-N 2 2 232.371 2.364 20 0 BEADLP COCC(C)(C)C[NH2+]CC[NH+]1CCCCCC1 ZINC000494362491 226264331 /nfs/dbraw/zinc/26/43/31/226264331.db2.gz BNGYJVOAUIJBKP-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP COCC(C)(C)C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000494353283 226264336 /nfs/dbraw/zinc/26/43/36/226264336.db2.gz WWDOGHONVDBXGF-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCC(C)(C)C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000494353283 226264337 /nfs/dbraw/zinc/26/43/37/226264337.db2.gz WWDOGHONVDBXGF-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cscc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400568317 226346539 /nfs/dbraw/zinc/34/65/39/226346539.db2.gz MYCOZKQIVAHRAO-CMPLNLGQSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccsc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400583891 226347564 /nfs/dbraw/zinc/34/75/64/226347564.db2.gz RQIURYDIMAVTBL-GHMZBOCLSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000674913004 487653828 /nfs/dbraw/zinc/65/38/28/487653828.db2.gz UFPHQMPSBYREFB-HIFRSBDPSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000674913004 487653832 /nfs/dbraw/zinc/65/38/32/487653832.db2.gz UFPHQMPSBYREFB-HIFRSBDPSA-N 2 2 232.371 2.343 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)O1 ZINC000308616192 229238041 /nfs/dbraw/zinc/23/80/41/229238041.db2.gz VBTYKWOMRZAHBQ-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCCC[C@]1(C)[NH2+]CCn1cc[nH+]c1 ZINC000308693503 229240247 /nfs/dbraw/zinc/24/02/47/229240247.db2.gz JNFVJPWGKQOQPR-STQMWFEESA-N 2 2 221.348 2.442 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000163137479 487690548 /nfs/dbraw/zinc/69/05/48/487690548.db2.gz DCUGBGHBZKSIMT-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000163137479 487690553 /nfs/dbraw/zinc/69/05/53/487690553.db2.gz DCUGBGHBZKSIMT-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1ccc(Cl)cc1F ZINC000163176703 487694362 /nfs/dbraw/zinc/69/43/62/487694362.db2.gz IXMMJXOZTSGSJP-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)cc1F ZINC000163176703 487694366 /nfs/dbraw/zinc/69/43/66/487694366.db2.gz IXMMJXOZTSGSJP-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000669699660 487694575 /nfs/dbraw/zinc/69/45/75/487694575.db2.gz HZTHFDMNLXUYSB-UONOGXRCSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000669699660 487694581 /nfs/dbraw/zinc/69/45/81/487694581.db2.gz HZTHFDMNLXUYSB-UONOGXRCSA-N 2 2 234.387 2.393 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654092 262872295 /nfs/dbraw/zinc/87/22/95/262872295.db2.gz PLGXQOWSNPTSNK-LVGORTOPSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654092 262872297 /nfs/dbraw/zinc/87/22/97/262872297.db2.gz PLGXQOWSNPTSNK-LVGORTOPSA-N 2 2 234.387 2.247 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000328523538 487703784 /nfs/dbraw/zinc/70/37/84/487703784.db2.gz SKMHKHDBHHXOOT-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000328523538 487703788 /nfs/dbraw/zinc/70/37/88/487703788.db2.gz SKMHKHDBHHXOOT-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000681052881 487706661 /nfs/dbraw/zinc/70/66/61/487706661.db2.gz YASLDMGVNWGWSJ-GXTWGEPZSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000681052881 487706666 /nfs/dbraw/zinc/70/66/66/487706666.db2.gz YASLDMGVNWGWSJ-GXTWGEPZSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000681052885 487707628 /nfs/dbraw/zinc/70/76/28/487707628.db2.gz YASLDMGVNWGWSJ-TZMCWYRMSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000681052885 487707630 /nfs/dbraw/zinc/70/76/30/487707630.db2.gz YASLDMGVNWGWSJ-TZMCWYRMSA-N 2 2 233.359 2.135 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000513677796 487741028 /nfs/dbraw/zinc/74/10/28/487741028.db2.gz BZAFMKXAUVBUFH-MXAVVETBSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000513677796 487741032 /nfs/dbraw/zinc/74/10/32/487741032.db2.gz BZAFMKXAUVBUFH-MXAVVETBSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000082858908 487741771 /nfs/dbraw/zinc/74/17/71/487741771.db2.gz BRJOPNJWRXVFQP-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000082858908 487741776 /nfs/dbraw/zinc/74/17/76/487741776.db2.gz BRJOPNJWRXVFQP-XJFOESAGSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@](C)(C[NH2+][C@H](C)C[NH+]1CCCCC1)OC ZINC000234100975 487762011 /nfs/dbraw/zinc/76/20/11/487762011.db2.gz NQTOUMDNXREEKQ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H](C)C[NH+]1CCCCC1)OC ZINC000234100471 487761600 /nfs/dbraw/zinc/76/16/00/487761600.db2.gz NQTOUMDNXREEKQ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP c1coc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235556 487765100 /nfs/dbraw/zinc/76/51/00/487765100.db2.gz VWLGAMBRKWFUIM-LBPRGKRZSA-N 2 2 231.299 2.313 20 0 BEADLP c1coc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235556 487765104 /nfs/dbraw/zinc/76/51/04/487765104.db2.gz VWLGAMBRKWFUIM-LBPRGKRZSA-N 2 2 231.299 2.313 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000294699142 487778707 /nfs/dbraw/zinc/77/87/07/487778707.db2.gz DZIHDFVWARXKTO-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000294699142 487778713 /nfs/dbraw/zinc/77/87/13/487778713.db2.gz DZIHDFVWARXKTO-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000294699142 487778716 /nfs/dbraw/zinc/77/87/16/487778716.db2.gz DZIHDFVWARXKTO-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cnccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000294699142 487778718 /nfs/dbraw/zinc/77/87/18/487778718.db2.gz DZIHDFVWARXKTO-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1C[C@@H]1C ZINC000322053002 487780802 /nfs/dbraw/zinc/78/08/02/487780802.db2.gz PRHWNETXHQNQFQ-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@@H]1C ZINC000322053002 487780807 /nfs/dbraw/zinc/78/08/07/487780807.db2.gz PRHWNETXHQNQFQ-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2nc(C)cs2)CC[C@H]1[NH3+] ZINC000251828229 487801033 /nfs/dbraw/zinc/80/10/33/487801033.db2.gz PTEAJXYJZKKBEW-GHMZBOCLSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2nc(C)cs2)CC[C@H]1[NH3+] ZINC000251828229 487801036 /nfs/dbraw/zinc/80/10/36/487801036.db2.gz PTEAJXYJZKKBEW-GHMZBOCLSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2csc(C)n2)CC[C@H]1[NH3+] ZINC000251836949 487801412 /nfs/dbraw/zinc/80/14/12/487801412.db2.gz QKTNJGIJGQFKQF-ZYHUDNBSSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC[C@H]1[NH3+] ZINC000251836949 487801415 /nfs/dbraw/zinc/80/14/15/487801415.db2.gz QKTNJGIJGQFKQF-ZYHUDNBSSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+]CC1([NH+](C)C)CC1 ZINC000669428403 487819334 /nfs/dbraw/zinc/81/93/34/487819334.db2.gz XCRXTSFLBLOSSP-NSHDSACASA-N 2 2 238.400 2.363 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1scnc1C1CC1 ZINC000414799076 487825054 /nfs/dbraw/zinc/82/50/54/487825054.db2.gz QZYKWSOIBGMFTA-JTQLQIEISA-N 2 2 239.388 2.093 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769899 487855331 /nfs/dbraw/zinc/85/53/31/487855331.db2.gz GQGWREKCCOMJJW-CQSZACIVSA-N 2 2 236.334 2.366 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666751894 487872090 /nfs/dbraw/zinc/87/20/90/487872090.db2.gz VEKXFUJWCIBSAU-UHFFFAOYSA-N 2 2 229.327 2.062 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768195 487875885 /nfs/dbraw/zinc/87/58/85/487875885.db2.gz BHUUJJOSIUXXPC-CQSZACIVSA-N 2 2 236.334 2.366 20 0 BEADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000666783253 487879768 /nfs/dbraw/zinc/87/97/68/487879768.db2.gz PQWOYUDELDDRBC-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000670269540 487882998 /nfs/dbraw/zinc/88/29/98/487882998.db2.gz NWXDLLZIHUNDHI-NEPJUHHUSA-N 2 2 235.375 2.470 20 0 BEADLP CC[C@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666945487 487889684 /nfs/dbraw/zinc/88/96/84/487889684.db2.gz SMCAEVFTHNPIPU-CRWXNKLISA-N 2 2 242.382 2.492 20 0 BEADLP COc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])[nH+]c1 ZINC000234968593 487897917 /nfs/dbraw/zinc/89/79/17/487897917.db2.gz QSUOHFKZASTEHC-JQWIXIFHSA-N 2 2 235.331 2.020 20 0 BEADLP Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000164817230 487899490 /nfs/dbraw/zinc/89/94/90/487899490.db2.gz HXWUSTDMMDAVAL-MNOVXSKESA-N 2 2 205.305 2.072 20 0 BEADLP Cc1ccc(C)c(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668537667 487902845 /nfs/dbraw/zinc/90/28/45/487902845.db2.gz KNNXKPRRVXNUJX-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668537667 487902851 /nfs/dbraw/zinc/90/28/51/487902851.db2.gz KNNXKPRRVXNUJX-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1cc(C[N@H+](C)CC2C[NH+](C)C2)cs1 ZINC000668539229 487904059 /nfs/dbraw/zinc/90/40/59/487904059.db2.gz PDAAJODSFDGACX-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP Cc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cs1 ZINC000668539229 487904064 /nfs/dbraw/zinc/90/40/64/487904064.db2.gz PDAAJODSFDGACX-UHFFFAOYSA-N 2 2 224.373 2.050 20 0 BEADLP C[N@H+](C/C=C/c1ccccc1)CC1C[NH+](C)C1 ZINC000668539955 487904755 /nfs/dbraw/zinc/90/47/55/487904755.db2.gz RLCVAYQDIXVGPW-RMKNXTFCSA-N 2 2 230.355 2.193 20 0 BEADLP C[N@@H+](C/C=C/c1ccccc1)CC1C[NH+](C)C1 ZINC000668539955 487904761 /nfs/dbraw/zinc/90/47/61/487904761.db2.gz RLCVAYQDIXVGPW-RMKNXTFCSA-N 2 2 230.355 2.193 20 0 BEADLP C[C@@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539693 487905262 /nfs/dbraw/zinc/90/52/62/487905262.db2.gz IUWVTIPEZLLOPW-ZDUSSCGKSA-N 2 2 232.371 2.284 20 0 BEADLP C[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539693 487905265 /nfs/dbraw/zinc/90/52/65/487905265.db2.gz IUWVTIPEZLLOPW-ZDUSSCGKSA-N 2 2 232.371 2.284 20 0 BEADLP C[C@@H]1CCC[C@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539977 487905556 /nfs/dbraw/zinc/90/55/56/487905556.db2.gz SEHLCDFHNFLCEP-OLZOCXBDSA-N 2 2 224.392 2.306 20 0 BEADLP C[C@@H]1CCC[C@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539977 487905561 /nfs/dbraw/zinc/90/55/61/487905561.db2.gz SEHLCDFHNFLCEP-OLZOCXBDSA-N 2 2 224.392 2.306 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(C)s1 ZINC000666945318 487909511 /nfs/dbraw/zinc/90/95/11/487909511.db2.gz KDQSSYSTCJVWSM-RYUDHWBXSA-N 2 2 242.363 2.155 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000666945472 487909543 /nfs/dbraw/zinc/90/95/43/487909543.db2.gz SBTPBTIPYPWRER-RYUDHWBXSA-N 2 2 242.725 2.130 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000083427820 487910497 /nfs/dbraw/zinc/91/04/97/487910497.db2.gz PGVDUCUULBKEHU-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666946540 487911706 /nfs/dbraw/zinc/91/17/06/487911706.db2.gz ICFQFSXWYCIBBT-CYDGBPFRSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000666948185 487912259 /nfs/dbraw/zinc/91/22/59/487912259.db2.gz UJWSLIYNZWQEMU-DRZSPHRISA-N 2 2 228.355 2.245 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccsc1Cl ZINC000312761721 322922934 /nfs/dbraw/zinc/92/29/34/322922934.db2.gz IQBMCQUBEFTYHJ-MRVPVSSYSA-N 2 2 232.780 2.347 20 0 BEADLP CSCCCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000564471355 322970746 /nfs/dbraw/zinc/97/07/46/322970746.db2.gz PPPNNHGJLMLYFT-UHFFFAOYSA-N 2 2 241.404 2.351 20 0 BEADLP CCC[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000564736285 323014362 /nfs/dbraw/zinc/01/43/62/323014362.db2.gz NQRFKYRAPDDCRK-RYUDHWBXSA-N 2 2 221.348 2.398 20 0 BEADLP CCC[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000564736285 323014363 /nfs/dbraw/zinc/01/43/63/323014363.db2.gz NQRFKYRAPDDCRK-RYUDHWBXSA-N 2 2 221.348 2.398 20 0 BEADLP CCCOc1ccc(C[NH2+]CC[NH2+]CC)cc1 ZINC000570062776 323048810 /nfs/dbraw/zinc/04/88/10/323048810.db2.gz FIQJPCZNOOKHNE-UHFFFAOYSA-N 2 2 236.359 2.175 20 0 BEADLP CC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000570826454 323071881 /nfs/dbraw/zinc/07/18/81/323071881.db2.gz AUQWPFYWRVSAOP-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000570826455 323071951 /nfs/dbraw/zinc/07/19/51/323071951.db2.gz AUQWPFYWRVSAOP-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)n1cc([C@H](C)[NH2+]CCC[NH+](C)C)cn1 ZINC000151956286 323077457 /nfs/dbraw/zinc/07/74/57/323077457.db2.gz AXQHYCGSEXQMCE-LBPRGKRZSA-N 2 2 238.379 2.066 20 0 BEADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[NH+](C)C ZINC000125639113 323090174 /nfs/dbraw/zinc/09/01/74/323090174.db2.gz KZHQPCWENCANPN-QWHCGFSZSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@@H](CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563437850 323125471 /nfs/dbraw/zinc/12/54/71/323125471.db2.gz APXFRWLDNOUJSE-LLVKDONJSA-N 2 2 209.337 2.397 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2F)CCC1 ZINC000414870200 323151733 /nfs/dbraw/zinc/15/17/33/323151733.db2.gz BMKXRFQDSRIFPJ-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+]C(C1CC1)C1CC1 ZINC000049574544 323162289 /nfs/dbraw/zinc/16/22/89/323162289.db2.gz QNNKYOKQKLXCTA-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000399127253 323197484 /nfs/dbraw/zinc/19/74/84/323197484.db2.gz RFTZOYMKXXNCDR-JHJVBQTASA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000399127253 323197485 /nfs/dbraw/zinc/19/74/85/323197485.db2.gz RFTZOYMKXXNCDR-JHJVBQTASA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(O)c1 ZINC000530219750 323217912 /nfs/dbraw/zinc/21/79/12/323217912.db2.gz MVTLXEKSFVAANX-RISCZKNCSA-N 2 2 246.354 2.327 20 0 BEADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042544480 323249368 /nfs/dbraw/zinc/24/93/68/323249368.db2.gz VHUXMLXEHVGPPB-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042544480 323249372 /nfs/dbraw/zinc/24/93/72/323249372.db2.gz VHUXMLXEHVGPPB-GXTWGEPZSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1CC12CC2 ZINC000527856012 323710468 /nfs/dbraw/zinc/71/04/68/323710468.db2.gz ZPCZODSIHYGDLP-KGLIPLIRSA-N 2 2 236.403 2.497 20 0 BEADLP CC[NH+](CC)CCn1cc[nH+]c1C1CC1 ZINC000530130403 324489672 /nfs/dbraw/zinc/48/96/72/324489672.db2.gz VFLNEULSHMZOKV-UHFFFAOYSA-N 2 2 207.321 2.102 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179636 324510702 /nfs/dbraw/zinc/51/07/02/324510702.db2.gz ZGUIVQIRHPHWCN-ZDUSSCGKSA-N 2 2 234.318 2.200 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccs1 ZINC000053388385 487965602 /nfs/dbraw/zinc/96/56/02/487965602.db2.gz FBABSMJCGDMCHE-SECBINFHSA-N 2 2 210.346 2.151 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000128280263 324819024 /nfs/dbraw/zinc/81/90/24/324819024.db2.gz VQKHVVHYEPGTFK-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000130080743 325010972 /nfs/dbraw/zinc/01/09/72/325010972.db2.gz VDAZLOCDTKUSLT-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000132050228 325196043 /nfs/dbraw/zinc/19/60/43/325196043.db2.gz DWDNVUXPCIUWSB-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548635100 325470088 /nfs/dbraw/zinc/47/00/88/325470088.db2.gz YLTWDMSDTAZXGG-GXTWGEPZSA-N 2 2 233.359 2.222 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000564706539 325804304 /nfs/dbraw/zinc/80/43/04/325804304.db2.gz VSANPULXKOSGMJ-LLVKDONJSA-N 2 2 209.337 2.297 20 0 BEADLP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000566335742 326034330 /nfs/dbraw/zinc/03/43/30/326034330.db2.gz DDTZDCMCOHTVSA-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000566335742 326034332 /nfs/dbraw/zinc/03/43/32/326034332.db2.gz DDTZDCMCOHTVSA-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000154626435 326153998 /nfs/dbraw/zinc/15/39/98/326153998.db2.gz KARBORBHEKEWNK-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000154626435 326154002 /nfs/dbraw/zinc/15/40/02/326154002.db2.gz KARBORBHEKEWNK-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000154636417 326154911 /nfs/dbraw/zinc/15/49/11/326154911.db2.gz UGINAPLLVHVDBI-QWHCGFSZSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000154636417 326154914 /nfs/dbraw/zinc/15/49/14/326154914.db2.gz UGINAPLLVHVDBI-QWHCGFSZSA-N 2 2 210.365 2.105 20 0 BEADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000568499569 326359612 /nfs/dbraw/zinc/35/96/12/326359612.db2.gz XDHDGMGYEVPLAV-STQMWFEESA-N 2 2 249.358 2.302 20 0 BEADLP CC[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000568645143 326370422 /nfs/dbraw/zinc/37/04/22/326370422.db2.gz YZITYLVDUIORCO-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000568645143 326370424 /nfs/dbraw/zinc/37/04/24/326370424.db2.gz YZITYLVDUIORCO-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cscn1 ZINC000568856705 326379407 /nfs/dbraw/zinc/37/94/07/326379407.db2.gz VQUHEUXSXANKMJ-PWSUYJOCSA-N 2 2 239.388 2.183 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)c[nH+]1 ZINC000682523134 487976171 /nfs/dbraw/zinc/97/61/71/487976171.db2.gz QVSQEEUUHNBYHU-UONOGXRCSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)c[nH+]1 ZINC000682523134 487976174 /nfs/dbraw/zinc/97/61/74/487976174.db2.gz QVSQEEUUHNBYHU-UONOGXRCSA-N 2 2 249.358 2.089 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000123783796 488011254 /nfs/dbraw/zinc/01/12/54/488011254.db2.gz XQGBSLOOFXNPKR-YUELXQCFSA-N 2 2 248.370 2.186 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000123783796 488011257 /nfs/dbraw/zinc/01/12/57/488011257.db2.gz XQGBSLOOFXNPKR-YUELXQCFSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2C)n1C ZINC000667473304 488018509 /nfs/dbraw/zinc/01/85/09/488018509.db2.gz FRPFDXPDCPDMNN-SNVBAGLBSA-N 2 2 207.321 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2C)n1C ZINC000667473304 488018513 /nfs/dbraw/zinc/01/85/13/488018513.db2.gz FRPFDXPDCPDMNN-SNVBAGLBSA-N 2 2 207.321 2.103 20 0 BEADLP Cc1[nH+]cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000667472785 488018653 /nfs/dbraw/zinc/01/86/53/488018653.db2.gz PGAMBFOVIVEIFB-QWRGUYRKSA-N 2 2 221.348 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2cccc(F)c2)n1C ZINC000667474339 488019947 /nfs/dbraw/zinc/01/99/47/488019947.db2.gz GTQSUGBXCFVFBX-UHFFFAOYSA-N 2 2 247.317 2.500 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cccc(F)c2)n1C ZINC000667474339 488019949 /nfs/dbraw/zinc/01/99/49/488019949.db2.gz GTQSUGBXCFVFBX-UHFFFAOYSA-N 2 2 247.317 2.500 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](CC2CC2)C(C)C)n1C ZINC000667523801 488038341 /nfs/dbraw/zinc/03/83/41/488038341.db2.gz QOLBSRYZCWCKBY-UHFFFAOYSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+](CC2CC2)C(C)C)n1C ZINC000667523801 488038344 /nfs/dbraw/zinc/03/83/44/488038344.db2.gz QOLBSRYZCWCKBY-UHFFFAOYSA-N 2 2 221.348 2.349 20 0 BEADLP Cn1cc[nH+]c1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000236079716 488039643 /nfs/dbraw/zinc/03/96/43/488039643.db2.gz UBVVWFAQWHUYLA-LBPRGKRZSA-N 2 2 213.284 2.033 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cc(F)ccc1Cl ZINC000165971632 488049715 /nfs/dbraw/zinc/04/97/15/488049715.db2.gz DLTHQDOENWRNQT-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cc(F)ccc1Cl ZINC000165971632 488049708 /nfs/dbraw/zinc/04/97/08/488049708.db2.gz DLTHQDOENWRNQT-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC2(C)C)n1C ZINC000667569182 488050180 /nfs/dbraw/zinc/05/01/80/488050180.db2.gz CSAIKZFDDFAEBM-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC2(C)C)n1C ZINC000667569182 488050183 /nfs/dbraw/zinc/05/01/83/488050183.db2.gz CSAIKZFDDFAEBM-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C2CC2)n1C ZINC000667596506 488055033 /nfs/dbraw/zinc/05/50/33/488055033.db2.gz LAGBAQHALHUSGC-CYBMUJFWSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C2CC2)n1C ZINC000667596506 488055036 /nfs/dbraw/zinc/05/50/36/488055036.db2.gz LAGBAQHALHUSGC-CYBMUJFWSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3ccco3)C2)n1C ZINC000667618668 488060840 /nfs/dbraw/zinc/06/08/40/488060840.db2.gz DZSCSEKVZJPCCV-LBPRGKRZSA-N 2 2 245.326 2.311 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650789 488074394 /nfs/dbraw/zinc/07/43/94/488074394.db2.gz DLOFNPKVEOFGKZ-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650789 488074397 /nfs/dbraw/zinc/07/43/97/488074397.db2.gz DLOFNPKVEOFGKZ-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@H]1C[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667664538 488079599 /nfs/dbraw/zinc/07/95/99/488079599.db2.gz NLPVPLZAWZTGIK-QWRGUYRKSA-N 2 2 219.332 2.060 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000335291770 488088399 /nfs/dbraw/zinc/08/83/99/488088399.db2.gz WGTNUNTUFKPPHP-CQSZACIVSA-N 2 2 227.311 2.367 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000335291770 488088403 /nfs/dbraw/zinc/08/84/03/488088403.db2.gz WGTNUNTUFKPPHP-CQSZACIVSA-N 2 2 227.311 2.367 20 0 BEADLP CC(C)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667696575 488090226 /nfs/dbraw/zinc/09/02/26/488090226.db2.gz AOGXQBQDPSBWAL-GFCCVEGCSA-N 2 2 233.359 2.307 20 0 BEADLP CCC[N@@H+]1CC[C@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC000389431843 488096371 /nfs/dbraw/zinc/09/63/71/488096371.db2.gz YOMYALAHRYSIQU-ZDUSSCGKSA-N 2 2 248.374 2.244 20 0 BEADLP CCC[N@H+]1CC[C@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC000389431843 488096375 /nfs/dbraw/zinc/09/63/75/488096375.db2.gz YOMYALAHRYSIQU-ZDUSSCGKSA-N 2 2 248.374 2.244 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000162087139 487536994 /nfs/dbraw/zinc/53/69/94/487536994.db2.gz XHZSESYOFBGBSX-SECBINFHSA-N 2 2 212.724 2.038 20 0 BEADLP CCC[C@H](CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657348918 488116040 /nfs/dbraw/zinc/11/60/40/488116040.db2.gz LXTXETBYNNXFTJ-NSHDSACASA-N 2 2 221.348 2.498 20 0 BEADLP CC[NH+](CC)CCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000683141286 488118181 /nfs/dbraw/zinc/11/81/81/488118181.db2.gz BTRHDYMKQZEWDO-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321057882 488125762 /nfs/dbraw/zinc/12/57/62/488125762.db2.gz IBKZDAMVIYOATR-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000321057882 488125766 /nfs/dbraw/zinc/12/57/66/488125766.db2.gz IBKZDAMVIYOATR-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403584995 488127521 /nfs/dbraw/zinc/12/75/21/488127521.db2.gz CRQHLFMHZPLWET-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403584995 488127513 /nfs/dbraw/zinc/12/75/13/488127513.db2.gz CRQHLFMHZPLWET-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000677810391 488128843 /nfs/dbraw/zinc/12/88/43/488128843.db2.gz MDGPAPZFZACVFI-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000162138674 487539334 /nfs/dbraw/zinc/53/93/34/487539334.db2.gz LQWZIWZANIKBDP-SNVBAGLBSA-N 2 2 218.300 2.130 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)n1C ZINC000668243177 487541407 /nfs/dbraw/zinc/54/14/07/487541407.db2.gz VCYGJFZMKMNKHS-DCAQKATOSA-N 2 2 221.348 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)n1C ZINC000668243177 487541410 /nfs/dbraw/zinc/54/14/10/487541410.db2.gz VCYGJFZMKMNKHS-DCAQKATOSA-N 2 2 221.348 2.205 20 0 BEADLP CCc1[nH+]ccn1Cc1ccc(C)[nH+]c1 ZINC000405726143 487490773 /nfs/dbraw/zinc/49/07/73/487490773.db2.gz RVLHPWFPOAFRJL-UHFFFAOYSA-N 2 2 201.273 2.197 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726974 487535183 /nfs/dbraw/zinc/53/51/83/487535183.db2.gz YJTUTWDHPCLUPH-ZIAGYGMSSA-N 2 2 218.344 2.335 20 0 BEADLP Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)cc[nH+]1 ZINC000681383467 487789957 /nfs/dbraw/zinc/78/99/57/487789957.db2.gz MBZLBHMFOICXEO-AWEZNQCLSA-N 2 2 242.326 2.428 20 0 BEADLP CC[N@@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000677810391 488128837 /nfs/dbraw/zinc/12/88/37/488128837.db2.gz MDGPAPZFZACVFI-NSHDSACASA-N 2 2 244.342 2.093 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667913919 488155152 /nfs/dbraw/zinc/15/51/52/488155152.db2.gz UEHKFYMIYGIOLQ-CABCVRRESA-N 2 2 246.354 2.090 20 0 BEADLP CCOC1CCC([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000657863514 488156078 /nfs/dbraw/zinc/15/60/78/488156078.db2.gz GXJSXGKAQGFIBB-UHFFFAOYSA-N 2 2 242.407 2.264 20 0 BEADLP CCOC1CCC([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000657863514 488156083 /nfs/dbraw/zinc/15/60/83/488156083.db2.gz GXJSXGKAQGFIBB-UHFFFAOYSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC3(CC3)C2)n1C ZINC000667998839 488179573 /nfs/dbraw/zinc/17/95/73/488179573.db2.gz KVNTVGSNXDLYNX-UHFFFAOYSA-N 2 2 219.332 2.105 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003572 488181957 /nfs/dbraw/zinc/18/19/57/488181957.db2.gz UBWUXWSZWWHEIP-YPMHNXCESA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003572 488181961 /nfs/dbraw/zinc/18/19/61/488181961.db2.gz UBWUXWSZWWHEIP-YPMHNXCESA-N 2 2 233.359 2.450 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)n1C ZINC000668013191 488185007 /nfs/dbraw/zinc/18/50/07/488185007.db2.gz RZMXBMLXFXZUPL-WCQYABFASA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)n1C ZINC000668013191 488185013 /nfs/dbraw/zinc/18/50/13/488185013.db2.gz RZMXBMLXFXZUPL-WCQYABFASA-N 2 2 219.332 2.103 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000678083519 488194025 /nfs/dbraw/zinc/19/40/25/488194025.db2.gz KCUHIXWQXABZDX-NSHDSACASA-N 2 2 244.329 2.202 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000678083519 488194028 /nfs/dbraw/zinc/19/40/28/488194028.db2.gz KCUHIXWQXABZDX-NSHDSACASA-N 2 2 244.329 2.202 20 0 BEADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)CC1CCC1 ZINC000668097088 488201672 /nfs/dbraw/zinc/20/16/72/488201672.db2.gz XQFFHUUUUNSMOE-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP CC[N@H+](Cc1c[nH+]c(C)n1C)CC1CCC1 ZINC000668097088 488201677 /nfs/dbraw/zinc/20/16/77/488201677.db2.gz XQFFHUUUUNSMOE-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+](CC2CC2)C2CCC2)n1C ZINC000668097682 488203453 /nfs/dbraw/zinc/20/34/53/488203453.db2.gz QQUPJEJZEFBOJN-UHFFFAOYSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](CC2CC2)C2CCC2)n1C ZINC000668097682 488203455 /nfs/dbraw/zinc/20/34/55/488203455.db2.gz QQUPJEJZEFBOJN-UHFFFAOYSA-N 2 2 233.359 2.493 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1C ZINC000683705421 488210696 /nfs/dbraw/zinc/21/06/96/488210696.db2.gz QQIJQLTUMYHDOO-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1C ZINC000683705421 488210699 /nfs/dbraw/zinc/21/06/99/488210699.db2.gz QQIJQLTUMYHDOO-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000308630391 488213197 /nfs/dbraw/zinc/21/31/97/488213197.db2.gz FXJJOCPOJKFKAH-JTQLQIEISA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668172619 488213861 /nfs/dbraw/zinc/21/38/61/488213861.db2.gz QSTABGHDSSTBKN-JQWIXIFHSA-N 2 2 221.348 2.491 20 0 BEADLP CC[C@H]1CC[C@H](C)[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668172619 488213865 /nfs/dbraw/zinc/21/38/65/488213865.db2.gz QSTABGHDSSTBKN-JQWIXIFHSA-N 2 2 221.348 2.491 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000678235256 488222779 /nfs/dbraw/zinc/22/27/79/488222779.db2.gz GXEYEQOZFHMZLY-CYBMUJFWSA-N 2 2 219.332 2.463 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000678235256 488222781 /nfs/dbraw/zinc/22/27/81/488222781.db2.gz GXEYEQOZFHMZLY-CYBMUJFWSA-N 2 2 219.332 2.463 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1C[C@@H]3CCCC[C@@H]3C1)CCC2 ZINC000668215888 488229418 /nfs/dbraw/zinc/22/94/18/488229418.db2.gz OIQSPPIPZNLYCX-BETUJISGSA-N 2 2 245.370 2.451 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1C[C@@H]3CCCC[C@@H]3C1)CCC2 ZINC000668215888 488229420 /nfs/dbraw/zinc/22/94/20/488229420.db2.gz OIQSPPIPZNLYCX-BETUJISGSA-N 2 2 245.370 2.451 20 0 BEADLP Fc1c[nH+]ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000678788891 488283196 /nfs/dbraw/zinc/28/31/96/488283196.db2.gz PQXUPQPGFIPKKI-UHFFFAOYSA-N 2 2 249.333 2.285 20 0 BEADLP Fc1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000678788243 488283314 /nfs/dbraw/zinc/28/33/14/488283314.db2.gz GLWWOACYJRWODZ-GFCCVEGCSA-N 2 2 249.333 2.285 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684379059 488298924 /nfs/dbraw/zinc/29/89/24/488298924.db2.gz OTLAMQHJMXNMPC-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684379059 488298925 /nfs/dbraw/zinc/29/89/25/488298925.db2.gz OTLAMQHJMXNMPC-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@H]2CCCO2)c[nH+]1 ZINC000684366653 488301829 /nfs/dbraw/zinc/30/18/29/488301829.db2.gz FPFBFEDOCPSFAS-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679068913 488305677 /nfs/dbraw/zinc/30/56/77/488305677.db2.gz SQDSEJCJLPYWQK-NEPJUHHUSA-N 2 2 249.358 2.293 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679068913 488305680 /nfs/dbraw/zinc/30/56/80/488305680.db2.gz SQDSEJCJLPYWQK-NEPJUHHUSA-N 2 2 249.358 2.293 20 0 BEADLP CC[C@]1([NH2+]CCCc2ccc(C)[nH+]c2)CCOC1 ZINC000684405722 488306946 /nfs/dbraw/zinc/30/69/46/488306946.db2.gz YZPGSDHGRNYCKS-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCCCO ZINC000679340911 488341807 /nfs/dbraw/zinc/34/18/07/488341807.db2.gz TYQLBCSFXLTOEF-KBPBESRZSA-N 2 2 244.423 2.103 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000679392426 488349909 /nfs/dbraw/zinc/34/99/09/488349909.db2.gz LJXHKVRCARWQNZ-UHFFFAOYSA-N 2 2 248.370 2.355 20 0 BEADLP CC(C)c1nc(NC[C@@H](C)[N@H+](C)C2CC2)cc[nH+]1 ZINC000110519566 490106800 /nfs/dbraw/zinc/10/68/00/490106800.db2.gz ZGYQKMOGSBCLBN-LLVKDONJSA-N 2 2 248.374 2.495 20 0 BEADLP CC(C)c1nc(NC[C@@H](C)[N@@H+](C)C2CC2)cc[nH+]1 ZINC000110519566 490106802 /nfs/dbraw/zinc/10/68/02/490106802.db2.gz ZGYQKMOGSBCLBN-LLVKDONJSA-N 2 2 248.374 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC000382227334 490136735 /nfs/dbraw/zinc/13/67/35/490136735.db2.gz ONRDJULCMXECFX-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]CCCC(C)C)C1 ZINC000382227334 490136731 /nfs/dbraw/zinc/13/67/31/490136731.db2.gz ONRDJULCMXECFX-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccn2)C1 ZINC000683011954 490153475 /nfs/dbraw/zinc/15/34/75/490153475.db2.gz QDDFRPUCPWYMHC-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)ccn2)C1 ZINC000683011954 490153482 /nfs/dbraw/zinc/15/34/82/490153482.db2.gz QDDFRPUCPWYMHC-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)ccn2)C1 ZINC000683011954 490153489 /nfs/dbraw/zinc/15/34/89/490153489.db2.gz QDDFRPUCPWYMHC-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000683011954 490153495 /nfs/dbraw/zinc/15/34/95/490153495.db2.gz QDDFRPUCPWYMHC-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CCC(CC)[N@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000093309101 490206743 /nfs/dbraw/zinc/20/67/43/490206743.db2.gz LXJPFPZKXXUGJP-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP CCC(CC)[N@@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000093309101 490206753 /nfs/dbraw/zinc/20/67/53/490206753.db2.gz LXJPFPZKXXUGJP-AWEZNQCLSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000071201118 490258919 /nfs/dbraw/zinc/25/89/19/490258919.db2.gz TZJBPERYLMSXRB-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000071201118 490258928 /nfs/dbraw/zinc/25/89/28/490258928.db2.gz TZJBPERYLMSXRB-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000537964321 490396354 /nfs/dbraw/zinc/39/63/54/490396354.db2.gz MKPLULDWOJGIGR-WFASDCNBSA-N 2 2 248.370 2.043 20 0 BEADLP COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000537964321 490396361 /nfs/dbraw/zinc/39/63/61/490396361.db2.gz MKPLULDWOJGIGR-WFASDCNBSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000038040907 491076347 /nfs/dbraw/zinc/07/63/47/491076347.db2.gz AVNJMOFHMVRYDE-SECBINFHSA-N 2 2 240.297 2.367 20 0 BEADLP C[C@H](Cc1ccccc1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538731 491127302 /nfs/dbraw/zinc/12/73/02/491127302.db2.gz AXBSSQZVZNVLGA-CQSZACIVSA-N 2 2 246.398 2.359 20 0 BEADLP C[C@H](Cc1ccccc1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538731 491127303 /nfs/dbraw/zinc/12/73/03/491127303.db2.gz AXBSSQZVZNVLGA-CQSZACIVSA-N 2 2 246.398 2.359 20 0 BEADLP C[N@@H+](Cc1ccc2occc2c1)CC1C[NH+](C)C1 ZINC000668539497 491127398 /nfs/dbraw/zinc/12/73/98/491127398.db2.gz XZICDBHQTGPCFZ-UHFFFAOYSA-N 2 2 244.338 2.426 20 0 BEADLP C[N@H+](Cc1ccc2occc2c1)CC1C[NH+](C)C1 ZINC000668539497 491127399 /nfs/dbraw/zinc/12/73/99/491127399.db2.gz XZICDBHQTGPCFZ-UHFFFAOYSA-N 2 2 244.338 2.426 20 0 BEADLP CC1=C[C@@H](C)C[C@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539573 491127411 /nfs/dbraw/zinc/12/74/11/491127411.db2.gz DFAGCHBGTOYXQM-OCCSQVGLSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539573 491127412 /nfs/dbraw/zinc/12/74/12/491127412.db2.gz DFAGCHBGTOYXQM-OCCSQVGLSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=C[C@H](C)C[C@@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539571 491127486 /nfs/dbraw/zinc/12/74/86/491127486.db2.gz DFAGCHBGTOYXQM-GXTWGEPZSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539571 491127487 /nfs/dbraw/zinc/12/74/87/491127487.db2.gz DFAGCHBGTOYXQM-GXTWGEPZSA-N 2 2 236.403 2.472 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC1CCC1 ZINC000133144195 491147226 /nfs/dbraw/zinc/14/72/26/491147226.db2.gz ROUGNLVVRDDLJK-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC1CCC1 ZINC000133144195 491147227 /nfs/dbraw/zinc/14/72/27/491147227.db2.gz ROUGNLVVRDDLJK-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH+](C)[C@@]1(C[NH2+]CC2(C)CCC2)CCSC1 ZINC000309618543 491152584 /nfs/dbraw/zinc/15/25/84/491152584.db2.gz DMSSFDCIGFPBMA-CYBMUJFWSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000309074613 533735248 /nfs/dbraw/zinc/73/52/48/533735248.db2.gz IUYNHMZVEWEPHN-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@](C)(CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348130929 535832921 /nfs/dbraw/zinc/83/29/21/535832921.db2.gz OFYPNMKLELETCM-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cscn1 ZINC000022863928 525445153 /nfs/dbraw/zinc/44/51/53/525445153.db2.gz OQHXSMKOVPIJQG-SNVBAGLBSA-N 2 2 236.344 2.081 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@H]1C ZINC000346694040 536458688 /nfs/dbraw/zinc/45/86/88/536458688.db2.gz RMCAHNYGYZJBGX-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1C ZINC000346694040 536458691 /nfs/dbraw/zinc/45/86/91/536458691.db2.gz RMCAHNYGYZJBGX-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000892517016 582905085 /nfs/dbraw/zinc/90/50/85/582905085.db2.gz VLSXVCXPTHZAKQ-UHFFFAOYSA-N 2 2 240.347 2.108 20 0 BEADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000892517016 582905086 /nfs/dbraw/zinc/90/50/86/582905086.db2.gz VLSXVCXPTHZAKQ-UHFFFAOYSA-N 2 2 240.347 2.108 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261556963 534985491 /nfs/dbraw/zinc/98/54/91/534985491.db2.gz CITSVWKBOLENLG-WFASDCNBSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261556963 534985497 /nfs/dbraw/zinc/98/54/97/534985497.db2.gz CITSVWKBOLENLG-WFASDCNBSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171708566 535077514 /nfs/dbraw/zinc/07/75/14/535077514.db2.gz UVWOYSUMVFTNBX-CYBMUJFWSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171708566 535077520 /nfs/dbraw/zinc/07/75/20/535077520.db2.gz UVWOYSUMVFTNBX-CYBMUJFWSA-N 2 2 210.365 2.203 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336103310 535309316 /nfs/dbraw/zinc/30/93/16/535309316.db2.gz ZOAMODUNCOZSMS-VXGBXAGGSA-N 2 2 233.359 2.366 20 0 BEADLP CCCc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261929029 535432334 /nfs/dbraw/zinc/43/23/34/535432334.db2.gz CNAJIYZRLUDGRL-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP CCCc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261929029 535432340 /nfs/dbraw/zinc/43/23/40/535432340.db2.gz CNAJIYZRLUDGRL-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP CC[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000273093380 535566219 /nfs/dbraw/zinc/56/62/19/535566219.db2.gz OEDGWCAJLCLDFI-GFCCVEGCSA-N 2 2 248.374 2.014 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C[C@H](C)O ZINC000348713500 535725947 /nfs/dbraw/zinc/72/59/47/535725947.db2.gz LADWUJLSNWEKIV-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@H](C)O ZINC000348713500 535725950 /nfs/dbraw/zinc/72/59/50/535725950.db2.gz LADWUJLSNWEKIV-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000336208436 536344252 /nfs/dbraw/zinc/34/42/52/536344252.db2.gz KOKDUDUQQUPVEV-UHFFFAOYSA-N 2 2 245.326 2.012 20 0 BEADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(F)C1 ZINC000334342710 536356925 /nfs/dbraw/zinc/35/69/25/536356925.db2.gz QFAFPKNFBQLHHS-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(F)C1 ZINC000334342710 536356926 /nfs/dbraw/zinc/35/69/26/536356926.db2.gz QFAFPKNFBQLHHS-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000334342710 536356927 /nfs/dbraw/zinc/35/69/27/536356927.db2.gz QFAFPKNFBQLHHS-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(F)C1 ZINC000334342710 536356930 /nfs/dbraw/zinc/35/69/30/536356930.db2.gz QFAFPKNFBQLHHS-QWHCGFSZSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000226412448 536375649 /nfs/dbraw/zinc/37/56/49/536375649.db2.gz DFEIRBCUIXUMDX-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226412448 536375652 /nfs/dbraw/zinc/37/56/52/536375652.db2.gz DFEIRBCUIXUMDX-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP COCC(C)(C)[NH2+]CCCc1c[nH+]ccc1C ZINC000348034482 536796871 /nfs/dbraw/zinc/79/68/71/536796871.db2.gz ZOJCUIYODVBGTK-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348107730 566264904 /nfs/dbraw/zinc/26/49/04/566264904.db2.gz QIUUYEQMSBAREJ-HUUCEWRRSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000086727493 566408294 /nfs/dbraw/zinc/40/82/94/566408294.db2.gz UOQMQZCDYMTAQO-QWHCGFSZSA-N 2 2 218.344 2.316 20 0 BEADLP Cc1cc([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1N ZINC000853248398 588728972 /nfs/dbraw/zinc/72/89/72/588728972.db2.gz SWWOVJNUDQUUAK-GHMZBOCLSA-N 2 2 219.332 2.259 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCO2 ZINC000853249530 588728979 /nfs/dbraw/zinc/72/89/79/588728979.db2.gz QWXBHWGTHNXSSI-FZMZJTMJSA-N 2 2 246.354 2.024 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000853248816 588729045 /nfs/dbraw/zinc/72/90/45/588729045.db2.gz KOKMUEBPZZHIQO-SSDOTTSWSA-N 2 2 218.753 2.099 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000853250605 588729404 /nfs/dbraw/zinc/72/94/04/588729404.db2.gz UVDFUVJBFAMZHB-GFCCVEGCSA-N 2 2 236.359 2.010 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc2c(c1)CCO2 ZINC000854231743 588781677 /nfs/dbraw/zinc/78/16/77/588781677.db2.gz GPVQSVRKPRTQNS-FZMZJTMJSA-N 2 2 248.370 2.270 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccsc1 ZINC000393609133 582819817 /nfs/dbraw/zinc/81/98/17/582819817.db2.gz RIGYZBKEAKKMLA-JBLDHEPKSA-N 2 2 224.373 2.349 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000393609133 582819818 /nfs/dbraw/zinc/81/98/18/582819818.db2.gz RIGYZBKEAKKMLA-JBLDHEPKSA-N 2 2 224.373 2.349 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000092327237 582855528 /nfs/dbraw/zinc/85/55/28/582855528.db2.gz DXYVTRILVWUOPD-VIFPVBQESA-N 2 2 237.347 2.036 20 0 BEADLP CCCSC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000892568335 582915375 /nfs/dbraw/zinc/91/53/75/582915375.db2.gz YPHBGGURPXXEPX-NEPJUHHUSA-N 2 2 241.404 2.393 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892720975 582967506 /nfs/dbraw/zinc/96/75/06/582967506.db2.gz HZWUUJIBXDVHPT-GJZGRUSLSA-N 2 2 244.382 2.400 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892720975 582967509 /nfs/dbraw/zinc/96/75/09/582967509.db2.gz HZWUUJIBXDVHPT-GJZGRUSLSA-N 2 2 244.382 2.400 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000892785702 582982071 /nfs/dbraw/zinc/98/20/71/582982071.db2.gz KMAXKULJVRKASM-LBPRGKRZSA-N 2 2 232.437 2.448 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000892785702 582982073 /nfs/dbraw/zinc/98/20/73/582982073.db2.gz KMAXKULJVRKASM-LBPRGKRZSA-N 2 2 232.437 2.448 20 0 BEADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CSC1 ZINC000396454356 583082633 /nfs/dbraw/zinc/08/26/33/583082633.db2.gz OVRCSDKOXCVICX-UHFFFAOYSA-N 2 2 247.367 2.050 20 0 BEADLP Cc1cc(C[NH+](C)C)cc(NCc2c[nH+]c[nH]2)c1 ZINC000894115028 583309456 /nfs/dbraw/zinc/30/94/56/583309456.db2.gz DXYIMKTWJBWRFO-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cc1cc(C[NH+](C)C)cc(NCc2c[nH]c[nH+]2)c1 ZINC000894115028 583309458 /nfs/dbraw/zinc/30/94/58/583309458.db2.gz DXYIMKTWJBWRFO-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP C=C/C=C\CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878301838 583369121 /nfs/dbraw/zinc/36/91/21/583369121.db2.gz CLZJPRDGVDHDKE-ZFDPJTLLSA-N 2 2 231.343 2.342 20 0 BEADLP C=C/C=C\CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000878301838 583369124 /nfs/dbraw/zinc/36/91/24/583369124.db2.gz CLZJPRDGVDHDKE-ZFDPJTLLSA-N 2 2 231.343 2.342 20 0 BEADLP CCN(C)c1ccccc1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894233712 583385734 /nfs/dbraw/zinc/38/57/34/583385734.db2.gz LJRFFRNQZBQNRI-UHFFFAOYSA-N 2 2 244.342 2.156 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2CCOc3ccccc32)c[nH+]1 ZINC000894250640 583392017 /nfs/dbraw/zinc/39/20/17/583392017.db2.gz MNPQFGDBGNVCHK-LLVKDONJSA-N 2 2 243.310 2.066 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+]CCC(F)(F)F ZINC000894310544 583418891 /nfs/dbraw/zinc/41/88/91/583418891.db2.gz UAUCELLMSCBNSH-UHFFFAOYSA-N 2 2 233.237 2.014 20 0 BEADLP COc1cc(C)cc(C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894356787 583436076 /nfs/dbraw/zinc/43/60/76/583436076.db2.gz NGGHNHOWBQKWTH-UHFFFAOYSA-N 2 2 231.299 2.017 20 0 BEADLP CCC(CC)[C@H](CC[NH2+]Cc1c[nH+]c[nH]1)OC ZINC000894359593 583436850 /nfs/dbraw/zinc/43/68/50/583436850.db2.gz RONWBHHMFSCBFB-ZDUSSCGKSA-N 2 2 239.363 2.341 20 0 BEADLP C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894368504 583439463 /nfs/dbraw/zinc/43/94/63/583439463.db2.gz RSHFROXOXDKIDI-BXUZGUMPSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894368505 583439840 /nfs/dbraw/zinc/43/98/40/583439840.db2.gz RSHFROXOXDKIDI-FZMZJTMJSA-N 2 2 245.326 2.012 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](CC3=CCCC3)CC[C@H]21 ZINC000879579922 583440081 /nfs/dbraw/zinc/44/00/81/583440081.db2.gz QICCVPLTFHJIMB-UONOGXRCSA-N 2 2 220.360 2.123 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](CC3=CCCC3)CC[C@H]21 ZINC000879579922 583440082 /nfs/dbraw/zinc/44/00/82/583440082.db2.gz QICCVPLTFHJIMB-UONOGXRCSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](CC3=CCCC3)CC[C@H]21 ZINC000879579922 583440085 /nfs/dbraw/zinc/44/00/85/583440085.db2.gz QICCVPLTFHJIMB-UONOGXRCSA-N 2 2 220.360 2.123 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](CC3=CCCC3)CC[C@H]21 ZINC000879579922 583440088 /nfs/dbraw/zinc/44/00/88/583440088.db2.gz QICCVPLTFHJIMB-UONOGXRCSA-N 2 2 220.360 2.123 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000894421564 583454783 /nfs/dbraw/zinc/45/47/83/583454783.db2.gz WRVGRDNPUQKSOC-JQWIXIFHSA-N 2 2 237.322 2.152 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000894421564 583454784 /nfs/dbraw/zinc/45/47/84/583454784.db2.gz WRVGRDNPUQKSOC-JQWIXIFHSA-N 2 2 237.322 2.152 20 0 BEADLP CCCSC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000894444948 583460797 /nfs/dbraw/zinc/46/07/97/583460797.db2.gz IYQFAWCAEWQWJE-QWRGUYRKSA-N 2 2 218.410 2.058 20 0 BEADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894786378 583521827 /nfs/dbraw/zinc/52/18/27/583521827.db2.gz HDOREMZZZKJRDR-TVQRCGJNSA-N 2 2 229.283 2.022 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000894862210 583535293 /nfs/dbraw/zinc/53/52/93/583535293.db2.gz UFUOLHPSCLFPOX-NEPJUHHUSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1C ZINC000894862210 583535294 /nfs/dbraw/zinc/53/52/94/583535294.db2.gz UFUOLHPSCLFPOX-NEPJUHHUSA-N 2 2 242.326 2.108 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000894862271 583535678 /nfs/dbraw/zinc/53/56/78/583535678.db2.gz WQFFIMSLDGDBBN-JSGCOSHPSA-N 2 2 227.311 2.303 20 0 BEADLP CO[C@@](C)(C[NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000894899204 583550997 /nfs/dbraw/zinc/55/09/97/583550997.db2.gz RXSXDXKXHNWZGB-AWEZNQCLSA-N 2 2 245.326 2.061 20 0 BEADLP FC(F)OC1CCC([NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000894928607 583556749 /nfs/dbraw/zinc/55/67/49/583556749.db2.gz LFBYOIVJUNCMLM-UHFFFAOYSA-N 2 2 245.273 2.050 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000894954463 583559880 /nfs/dbraw/zinc/55/98/80/583559880.db2.gz LDGAPSMSSJMJLH-CQSZACIVSA-N 2 2 244.382 2.400 20 0 BEADLP c1[nH]c(C[NH2+]CC2(C3CCC3)CCC2)c[nH+]1 ZINC000894967724 583560543 /nfs/dbraw/zinc/56/05/43/583560543.db2.gz QOUNLLWWYKOHMP-UHFFFAOYSA-N 2 2 219.332 2.470 20 0 BEADLP CCC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)CC[NH2+]1 ZINC000895056654 583575093 /nfs/dbraw/zinc/57/50/93/583575093.db2.gz BQOXXRWQMAZCST-GFCCVEGCSA-N 2 2 248.374 2.178 20 0 BEADLP CC1=NO[C@H](C[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000895304688 583642742 /nfs/dbraw/zinc/64/27/42/583642742.db2.gz PKKLJBCHCPVYMM-AWEZNQCLSA-N 2 2 247.342 2.077 20 0 BEADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000895739974 583714335 /nfs/dbraw/zinc/71/43/35/583714335.db2.gz KXICZGRXNPYVLE-PWSUYJOCSA-N 2 2 246.358 2.167 20 0 BEADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000895739974 583714336 /nfs/dbraw/zinc/71/43/36/583714336.db2.gz KXICZGRXNPYVLE-PWSUYJOCSA-N 2 2 246.358 2.167 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@H+]2C)nc(C2CCC2)[nH+]1 ZINC000895768144 583723624 /nfs/dbraw/zinc/72/36/24/583723624.db2.gz XJAVFALWWCIPFS-GFCCVEGCSA-N 2 2 246.358 2.169 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@@H+]2C)nc(C2CCC2)[nH+]1 ZINC000895768144 583723626 /nfs/dbraw/zinc/72/36/26/583723626.db2.gz XJAVFALWWCIPFS-GFCCVEGCSA-N 2 2 246.358 2.169 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000896553150 583811124 /nfs/dbraw/zinc/81/11/24/583811124.db2.gz CKJRZUVXBHRFBB-XPKDYRNWSA-N 2 2 244.382 2.399 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CC[N@H+]1C ZINC000896553150 583811125 /nfs/dbraw/zinc/81/11/25/583811125.db2.gz CKJRZUVXBHRFBB-XPKDYRNWSA-N 2 2 244.382 2.399 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000896553608 583812208 /nfs/dbraw/zinc/81/22/08/583812208.db2.gz DPMCBRZIJLJVFG-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000896553608 583812209 /nfs/dbraw/zinc/81/22/09/583812209.db2.gz DPMCBRZIJLJVFG-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP CCO[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000897067595 583877299 /nfs/dbraw/zinc/87/72/99/583877299.db2.gz MOQMJYJFDNXBTM-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CCO[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000897067595 583877301 /nfs/dbraw/zinc/87/73/01/583877301.db2.gz MOQMJYJFDNXBTM-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000863652586 583994948 /nfs/dbraw/zinc/99/49/48/583994948.db2.gz UWTXQZCPHRAGCZ-FSIBCCDJSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000863652586 583994949 /nfs/dbraw/zinc/99/49/49/583994949.db2.gz UWTXQZCPHRAGCZ-FSIBCCDJSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797221 584049374 /nfs/dbraw/zinc/04/93/74/584049374.db2.gz FGKUMHXWDBSREG-GRYCIOLGSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897797221 584049376 /nfs/dbraw/zinc/04/93/76/584049376.db2.gz FGKUMHXWDBSREG-GRYCIOLGSA-N 2 2 242.432 2.200 20 0 BEADLP c1coc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897986335 584072682 /nfs/dbraw/zinc/07/26/82/584072682.db2.gz YMPZVBSHRHLQJF-UHFFFAOYSA-N 2 2 234.343 2.386 20 0 BEADLP FC1(F)CC[C@@H](CC[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000898013570 584073614 /nfs/dbraw/zinc/07/36/14/584073614.db2.gz CNTDDVSKVIBUOX-VIFPVBQESA-N 2 2 229.274 2.325 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017080 584075481 /nfs/dbraw/zinc/07/54/81/584075481.db2.gz IOQDCUNRXYWTDX-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898017080 584075482 /nfs/dbraw/zinc/07/54/82/584075482.db2.gz IOQDCUNRXYWTDX-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@@H+]1CCC(C)(C)C1)OC ZINC000898033934 584077926 /nfs/dbraw/zinc/07/79/26/584077926.db2.gz DORQYTOTBYGXFO-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@H+]1CCC(C)(C)C1)OC ZINC000898033934 584077927 /nfs/dbraw/zinc/07/79/27/584077927.db2.gz DORQYTOTBYGXFO-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000898034318 584078208 /nfs/dbraw/zinc/07/82/08/584078208.db2.gz OAMODYVDSMZUCC-BTTYYORXSA-N 2 2 236.403 2.354 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000898034318 584078209 /nfs/dbraw/zinc/07/82/09/584078209.db2.gz OAMODYVDSMZUCC-BTTYYORXSA-N 2 2 236.403 2.354 20 0 BEADLP CCSCC[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898035079 584079209 /nfs/dbraw/zinc/07/92/09/584079209.db2.gz JQDUWUPCDBHULY-UHFFFAOYSA-N 2 2 230.421 2.061 20 0 BEADLP CCSCC[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898035079 584079211 /nfs/dbraw/zinc/07/92/11/584079211.db2.gz JQDUWUPCDBHULY-UHFFFAOYSA-N 2 2 230.421 2.061 20 0 BEADLP Cc1ncccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307601 584109501 /nfs/dbraw/zinc/10/95/01/584109501.db2.gz DRINANAEXHKDBN-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1ncccc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307601 584109503 /nfs/dbraw/zinc/10/95/03/584109503.db2.gz DRINANAEXHKDBN-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cn1cccc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898310079 584110452 /nfs/dbraw/zinc/11/04/52/584110452.db2.gz RVFWVRXDRVUURO-UHFFFAOYSA-N 2 2 237.391 2.045 20 0 BEADLP Cn1cccc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898310079 584110453 /nfs/dbraw/zinc/11/04/53/584110453.db2.gz RVFWVRXDRVUURO-UHFFFAOYSA-N 2 2 237.391 2.045 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000898314485 584110987 /nfs/dbraw/zinc/11/09/87/584110987.db2.gz XROVSECHJTUTSW-AVGNSLFASA-N 2 2 244.448 2.446 20 0 BEADLP Fc1cccc(OCCC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000898443762 584136473 /nfs/dbraw/zinc/13/64/73/584136473.db2.gz DISCLDCYHOQNAG-UHFFFAOYSA-N 2 2 249.289 2.108 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000858483655 588959755 /nfs/dbraw/zinc/95/97/55/588959755.db2.gz VMMIBVITZBHPMJ-JHJVBQTASA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000858483655 588959756 /nfs/dbraw/zinc/95/97/56/588959756.db2.gz VMMIBVITZBHPMJ-JHJVBQTASA-N 2 2 210.365 2.105 20 0 BEADLP CNc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000899328021 584197990 /nfs/dbraw/zinc/19/79/90/584197990.db2.gz LOGNHBFQPSNCFN-NEPJUHHUSA-N 2 2 215.300 2.031 20 0 BEADLP CNc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000902026808 584513254 /nfs/dbraw/zinc/51/32/54/584513254.db2.gz QBRUZYWCPDUEHM-UHFFFAOYSA-N 2 2 244.342 2.105 20 0 BEADLP CCCCC(N)=[NH+]OCCCc1c[nH+]cn1C ZINC000902221890 584540233 /nfs/dbraw/zinc/54/02/33/584540233.db2.gz UYQXQIHUGGQERF-UHFFFAOYSA-N 2 2 238.335 2.041 20 0 BEADLP [NH3+]C1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000902412500 584576220 /nfs/dbraw/zinc/57/62/20/584576220.db2.gz BMWKXXPSXVTOSK-LLVKDONJSA-N 2 2 238.281 2.033 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(F)F ZINC000902401699 584587728 /nfs/dbraw/zinc/58/77/28/584587728.db2.gz BJRWNKHYIZYMCQ-IUCAKERBSA-N 2 2 220.307 2.008 20 0 BEADLP [NH3+]C1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000902404896 584588779 /nfs/dbraw/zinc/58/87/79/584588779.db2.gz GSSDPRLWZTXGTL-LBPRGKRZSA-N 2 2 248.374 2.112 20 0 BEADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)ccc1F ZINC000902415539 584589481 /nfs/dbraw/zinc/58/94/81/584589481.db2.gz HZXQUOXUKLZEHS-LBPRGKRZSA-N 2 2 240.297 2.497 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc2ccccc2n1 ZINC000902415795 584589509 /nfs/dbraw/zinc/58/95/09/584589509.db2.gz JROKIAQTINPDCW-NSHDSACASA-N 2 2 241.338 2.377 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(F)c(F)c(F)c1 ZINC000902416351 584590248 /nfs/dbraw/zinc/59/02/48/584590248.db2.gz NFXJRZIAZIDVMG-ZETCQYMHSA-N 2 2 244.260 2.246 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000902436642 584596541 /nfs/dbraw/zinc/59/65/41/584596541.db2.gz DJHNYAKMJZYSHH-HUUCEWRRSA-N 2 2 242.366 2.389 20 0 BEADLP CC(C)C[C@H]([NH2+]CC1([NH3+])CC1)c1ccccn1 ZINC000902413760 584599366 /nfs/dbraw/zinc/59/93/66/584599366.db2.gz OIJDYEMICRFHNP-ZDUSSCGKSA-N 2 2 233.359 2.250 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902472925 584600916 /nfs/dbraw/zinc/60/09/16/584600916.db2.gz LXCIKJLXADWYFX-DMRZNYOFSA-N 2 2 242.366 2.465 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472683 584601115 /nfs/dbraw/zinc/60/11/15/584601115.db2.gz FJDLFYOTOXLUFK-UQOMUDLDSA-N 2 2 246.329 2.296 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902472882 584601430 /nfs/dbraw/zinc/60/14/30/584601430.db2.gz KKFCIRPIMKPEOW-AHLTXXRQSA-N 2 2 216.328 2.230 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902472920 584601450 /nfs/dbraw/zinc/60/14/50/584601450.db2.gz LTCVJXVJLDAFNR-UQOMUDLDSA-N 2 2 246.329 2.296 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902474834 584602932 /nfs/dbraw/zinc/60/29/32/584602932.db2.gz FWMLBEADBUAEHN-MMMKDXCPSA-N 2 2 246.354 2.239 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000902446577 584604350 /nfs/dbraw/zinc/60/43/50/584604350.db2.gz PJEPZLWNCMXVER-KBPBESRZSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000902446663 584604353 /nfs/dbraw/zinc/60/43/53/584604353.db2.gz PVLYXJPYWMWGCM-GXFFZTMASA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902448036 584604712 /nfs/dbraw/zinc/60/47/12/584604712.db2.gz XDPOIXZQJAXBQQ-GXSJLCMTSA-N 2 2 224.373 2.397 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448713 584605482 /nfs/dbraw/zinc/60/54/82/584605482.db2.gz HJAABBPLWSBQFN-WCQYABFASA-N 2 2 233.359 2.039 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000902448347 584605775 /nfs/dbraw/zinc/60/57/75/584605775.db2.gz ZNSKULAPEPOKFW-KBPBESRZSA-N 2 2 230.355 2.262 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902465407 584613143 /nfs/dbraw/zinc/61/31/43/584613143.db2.gz FWMLBEADBUAEHN-DZGBDDFRSA-N 2 2 246.354 2.239 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902466545 584613682 /nfs/dbraw/zinc/61/36/82/584613682.db2.gz LTCVJXVJLDAFNR-SPWCGHHHSA-N 2 2 246.329 2.296 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccnc1 ZINC000902468780 584615761 /nfs/dbraw/zinc/61/57/61/584615761.db2.gz VIOCDYZTYWZASW-CBBWQLFWSA-N 2 2 245.370 2.405 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C)n1 ZINC000902471985 584617378 /nfs/dbraw/zinc/61/73/78/584617378.db2.gz WAUHCYRNZFMATD-DDHJSBNISA-N 2 2 245.370 2.242 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cncs1 ZINC000902482172 584623943 /nfs/dbraw/zinc/62/39/43/584623943.db2.gz KBHCCJUGHPFAQL-GHMZBOCLSA-N 2 2 239.388 2.326 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccccn1 ZINC000902482194 584624222 /nfs/dbraw/zinc/62/42/22/584624222.db2.gz KGYKOZXKZWGNGX-OLZOCXBDSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902514833 584629287 /nfs/dbraw/zinc/62/92/87/584629287.db2.gz QYFFCTKFXXOCOS-GLQYFDAESA-N 2 2 245.370 2.263 20 0 BEADLP C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000902514834 584629568 /nfs/dbraw/zinc/62/95/68/584629568.db2.gz QYFFCTKFXXOCOS-KCPJHIHWSA-N 2 2 245.370 2.263 20 0 BEADLP CCNc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000902654065 584651230 /nfs/dbraw/zinc/65/12/30/584651230.db2.gz YPXNOPUSOJZUGG-TZMCWYRMSA-N 2 2 247.386 2.301 20 0 BEADLP CCNc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000902654065 584651233 /nfs/dbraw/zinc/65/12/33/584651233.db2.gz YPXNOPUSOJZUGG-TZMCWYRMSA-N 2 2 247.386 2.301 20 0 BEADLP c1cn(CCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000902720364 584659551 /nfs/dbraw/zinc/65/95/51/584659551.db2.gz IMTFGBZRNVKGMU-CHWSQXEVSA-N 2 2 233.359 2.442 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902761321 584666128 /nfs/dbraw/zinc/66/61/28/584666128.db2.gz NJDWOFWOBPNGBJ-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902761321 584666130 /nfs/dbraw/zinc/66/61/30/584666130.db2.gz NJDWOFWOBPNGBJ-XJFOESAGSA-N 2 2 222.376 2.249 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902793940 584673388 /nfs/dbraw/zinc/67/33/88/584673388.db2.gz OYPUCVLISKNVQI-UPJWGTAASA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902793940 584673390 /nfs/dbraw/zinc/67/33/90/584673390.db2.gz OYPUCVLISKNVQI-UPJWGTAASA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902988710 584709468 /nfs/dbraw/zinc/70/94/68/584709468.db2.gz VALUFKXLHSUCPQ-SRVKXCTJSA-N 2 2 210.365 2.105 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](F)C1 ZINC000903002139 584716246 /nfs/dbraw/zinc/71/62/46/584716246.db2.gz WUOVXZFABKJGLJ-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](F)C1 ZINC000903002139 584716247 /nfs/dbraw/zinc/71/62/47/584716247.db2.gz WUOVXZFABKJGLJ-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](F)C1 ZINC000903002139 584716248 /nfs/dbraw/zinc/71/62/48/584716248.db2.gz WUOVXZFABKJGLJ-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](F)C1 ZINC000903002139 584716249 /nfs/dbraw/zinc/71/62/49/584716249.db2.gz WUOVXZFABKJGLJ-CHWSQXEVSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1OC ZINC000903171921 584732747 /nfs/dbraw/zinc/73/27/47/584732747.db2.gz TWEORUQDAQPWEU-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1OC ZINC000903171921 584732748 /nfs/dbraw/zinc/73/27/48/584732748.db2.gz TWEORUQDAQPWEU-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CC1 ZINC000903202222 584735497 /nfs/dbraw/zinc/73/54/97/584735497.db2.gz ZWRPTBXERQVXJV-AWEZNQCLSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903200703 584735656 /nfs/dbraw/zinc/73/56/56/584735656.db2.gz BNVHRYKXDPVRRE-RISCZKNCSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000903253961 584739361 /nfs/dbraw/zinc/73/93/61/584739361.db2.gz NBNYTIKFXXYXJU-KDBIFJDOSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000903253961 584739362 /nfs/dbraw/zinc/73/93/62/584739362.db2.gz NBNYTIKFXXYXJU-KDBIFJDOSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000903297326 584743328 /nfs/dbraw/zinc/74/33/28/584743328.db2.gz DXPSGEDCKNFOLW-HKUMRIAESA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)CC[N@H+]1C ZINC000903297326 584743329 /nfs/dbraw/zinc/74/33/29/584743329.db2.gz DXPSGEDCKNFOLW-HKUMRIAESA-N 2 2 222.376 2.247 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300655 584743472 /nfs/dbraw/zinc/74/34/72/584743472.db2.gz KJVRYZRVLSWXMP-FRRDWIJNSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300655 584743473 /nfs/dbraw/zinc/74/34/73/584743473.db2.gz KJVRYZRVLSWXMP-FRRDWIJNSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300822 584744134 /nfs/dbraw/zinc/74/41/34/584744134.db2.gz LRNSTEJVGBLFHI-VNHYZAJKSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300822 584744135 /nfs/dbraw/zinc/74/41/35/584744135.db2.gz LRNSTEJVGBLFHI-VNHYZAJKSA-N 2 2 247.386 2.085 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)c(C)n1 ZINC000903301335 584744385 /nfs/dbraw/zinc/74/43/85/584744385.db2.gz OXJQXZCWVHGYGL-KCQAQPDRSA-N 2 2 247.386 2.442 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c(C)n1 ZINC000903301335 584744386 /nfs/dbraw/zinc/74/43/86/584744386.db2.gz OXJQXZCWVHGYGL-KCQAQPDRSA-N 2 2 247.386 2.442 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301812 584744388 /nfs/dbraw/zinc/74/43/88/584744388.db2.gz UODPHURYVZSMGF-ONCHEJIZSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000903301812 584744389 /nfs/dbraw/zinc/74/43/89/584744389.db2.gz UODPHURYVZSMGF-ONCHEJIZSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)C1CCSCC1 ZINC000903301110 584744613 /nfs/dbraw/zinc/74/46/13/584744613.db2.gz OBSQHXVZCTYSQG-LOWVWBTDSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)C1CCSCC1 ZINC000903301110 584744615 /nfs/dbraw/zinc/74/46/15/584744615.db2.gz OBSQHXVZCTYSQG-LOWVWBTDSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301732 584745009 /nfs/dbraw/zinc/74/50/09/584745009.db2.gz SZQZHELTIWVDPF-NTZNESFSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301732 584745011 /nfs/dbraw/zinc/74/50/11/584745011.db2.gz SZQZHELTIWVDPF-NTZNESFSSA-N 2 2 210.365 2.247 20 0 BEADLP CCCCC1([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000903312381 584748137 /nfs/dbraw/zinc/74/81/37/584748137.db2.gz VEQFIURGNWTTMD-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CCCCC1([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000903312381 584748138 /nfs/dbraw/zinc/74/81/38/584748138.db2.gz VEQFIURGNWTTMD-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Oc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903432798 584762052 /nfs/dbraw/zinc/76/20/52/584762052.db2.gz KWKZJVUXBKZTIR-UKRRQHHQSA-N 2 2 246.354 2.281 20 0 BEADLP Oc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903432798 584762053 /nfs/dbraw/zinc/76/20/53/584762053.db2.gz KWKZJVUXBKZTIR-UKRRQHHQSA-N 2 2 246.354 2.281 20 0 BEADLP Cc1ccc(F)c(C[NH+]2CCC([NH3+])CC2)c1F ZINC000903422028 584763522 /nfs/dbraw/zinc/76/35/22/584763522.db2.gz TZUFXFJEJWLIDP-UHFFFAOYSA-N 2 2 240.297 2.196 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903420929 584763718 /nfs/dbraw/zinc/76/37/18/584763718.db2.gz GVYBPAKRWAQVSQ-CYBMUJFWSA-N 2 2 229.327 2.091 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903420929 584763720 /nfs/dbraw/zinc/76/37/20/584763720.db2.gz GVYBPAKRWAQVSQ-CYBMUJFWSA-N 2 2 229.327 2.091 20 0 BEADLP CCSc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000903423264 584764645 /nfs/dbraw/zinc/76/46/45/584764645.db2.gz RAZDMHGYISJTRP-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP CCSc1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000903423264 584764647 /nfs/dbraw/zinc/76/46/47/584764647.db2.gz RAZDMHGYISJTRP-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903459776 584766398 /nfs/dbraw/zinc/76/63/98/584766398.db2.gz ZREPOBWUISRTDN-OAHLLOKOSA-N 2 2 244.382 2.414 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@H+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903459776 584766399 /nfs/dbraw/zinc/76/63/99/584766399.db2.gz ZREPOBWUISRTDN-OAHLLOKOSA-N 2 2 244.382 2.414 20 0 BEADLP Cc1cccnc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C(C)C ZINC000903444560 584769344 /nfs/dbraw/zinc/76/93/44/584769344.db2.gz CHPHNHLAHHIWOS-KGLIPLIRSA-N 2 2 247.386 2.429 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903476529 584777710 /nfs/dbraw/zinc/77/77/10/584777710.db2.gz ZWKUGQQXGNOIEI-QWRGUYRKSA-N 2 2 232.318 2.248 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903476529 584777712 /nfs/dbraw/zinc/77/77/12/584777712.db2.gz ZWKUGQQXGNOIEI-QWRGUYRKSA-N 2 2 232.318 2.248 20 0 BEADLP CC1(C)Nc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000903481789 584777825 /nfs/dbraw/zinc/77/78/25/584777825.db2.gz MVFWODKLEODGMN-BXUZGUMPSA-N 2 2 245.370 2.273 20 0 BEADLP Cl/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483101 584779406 /nfs/dbraw/zinc/77/94/06/584779406.db2.gz DHXAHTKQPAGCLS-WXGCRTCVSA-N 2 2 214.740 2.003 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)n1 ZINC000903484486 584779475 /nfs/dbraw/zinc/77/94/75/584779475.db2.gz SGIQKHGEXOIUSV-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP C[NH2+]CC[N@H+](CCC1SCCS1)C(C)C ZINC000903575719 584783947 /nfs/dbraw/zinc/78/39/47/584783947.db2.gz TYONZDNSOPCGCJ-UHFFFAOYSA-N 2 2 248.461 2.112 20 0 BEADLP C[NH2+]CC[N@@H+](CCC1SCCS1)C(C)C ZINC000903575719 584783948 /nfs/dbraw/zinc/78/39/48/584783948.db2.gz TYONZDNSOPCGCJ-UHFFFAOYSA-N 2 2 248.461 2.112 20 0 BEADLP C[N@H+](Cc1ccccc1CF)[C@H](C[NH3+])C1CC1 ZINC000903749589 584794788 /nfs/dbraw/zinc/79/47/88/584794788.db2.gz MLAGRVUXURQTQW-CQSZACIVSA-N 2 2 236.334 2.325 20 0 BEADLP C[N@@H+](Cc1ccccc1CF)[C@H](C[NH3+])C1CC1 ZINC000903749589 584794789 /nfs/dbraw/zinc/79/47/89/584794789.db2.gz MLAGRVUXURQTQW-CQSZACIVSA-N 2 2 236.334 2.325 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1CF)C2 ZINC000903770201 584797850 /nfs/dbraw/zinc/79/78/50/584797850.db2.gz UGBFFDJSPSWHIJ-HUUCEWRRSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1CF)C2 ZINC000903770201 584797851 /nfs/dbraw/zinc/79/78/51/584797851.db2.gz UGBFFDJSPSWHIJ-HUUCEWRRSA-N 2 2 248.345 2.469 20 0 BEADLP Cc1cc(C)[nH+]c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000903769418 584797950 /nfs/dbraw/zinc/79/79/50/584797950.db2.gz FWDCZZCWVSSXJD-DZGCQCFKSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000903769418 584797952 /nfs/dbraw/zinc/79/79/52/584797952.db2.gz FWDCZZCWVSSXJD-DZGCQCFKSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000903769418 584797953 /nfs/dbraw/zinc/79/79/53/584797953.db2.gz FWDCZZCWVSSXJD-DZGCQCFKSA-N 2 2 245.370 2.012 20 0 BEADLP CCCCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796274 584800606 /nfs/dbraw/zinc/80/06/06/584800606.db2.gz UPTXMKXNRYVKNR-QWHCGFSZSA-N 2 2 210.365 2.380 20 0 BEADLP CCCCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796274 584800608 /nfs/dbraw/zinc/80/06/08/584800608.db2.gz UPTXMKXNRYVKNR-QWHCGFSZSA-N 2 2 210.365 2.380 20 0 BEADLP CC(C)CC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796823 584801003 /nfs/dbraw/zinc/80/10/03/584801003.db2.gz YZQXOFVSLTXHMU-OLZOCXBDSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)CC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796823 584801006 /nfs/dbraw/zinc/80/10/06/584801006.db2.gz YZQXOFVSLTXHMU-OLZOCXBDSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799778 584801324 /nfs/dbraw/zinc/80/13/24/584801324.db2.gz SNIDZJCIGYYVGS-AVGNSLFASA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903799778 584801326 /nfs/dbraw/zinc/80/13/26/584801326.db2.gz SNIDZJCIGYYVGS-AVGNSLFASA-N 2 2 210.365 2.236 20 0 BEADLP C=C/C=C\CC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799124 584801630 /nfs/dbraw/zinc/80/16/30/584801630.db2.gz BLAQVOYMOMQUHF-TYHIMRJMSA-N 2 2 220.360 2.322 20 0 BEADLP C=C/C=C\CC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903799124 584801632 /nfs/dbraw/zinc/80/16/32/584801632.db2.gz BLAQVOYMOMQUHF-TYHIMRJMSA-N 2 2 220.360 2.322 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c(C)s1 ZINC000903822313 584803926 /nfs/dbraw/zinc/80/39/26/584803926.db2.gz ZROCTZKNFGJNHJ-GFCCVEGCSA-N 2 2 238.400 2.453 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c(C)c1 ZINC000903821557 584804056 /nfs/dbraw/zinc/80/40/56/584804056.db2.gz MMPYXCYCCXCQIE-CQSZACIVSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000903825000 584804425 /nfs/dbraw/zinc/80/44/25/584804425.db2.gz WXAOIWCFAIGLSC-CYBMUJFWSA-N 2 2 218.344 2.083 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000903823905 584804701 /nfs/dbraw/zinc/80/47/01/584804701.db2.gz KTOQPLUKWPLGRC-LBPRGKRZSA-N 2 2 238.762 2.428 20 0 BEADLP [NH3+]CCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000903829359 584805616 /nfs/dbraw/zinc/80/56/16/584805616.db2.gz DUOOXORKNMJEEP-UHFFFAOYSA-N 2 2 210.708 2.004 20 0 BEADLP [NH3+]CCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000903829359 584805617 /nfs/dbraw/zinc/80/56/17/584805617.db2.gz DUOOXORKNMJEEP-UHFFFAOYSA-N 2 2 210.708 2.004 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000903850284 584807873 /nfs/dbraw/zinc/80/78/73/584807873.db2.gz NRZKNSGAZPHWHM-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000903850284 584807874 /nfs/dbraw/zinc/80/78/74/584807874.db2.gz NRZKNSGAZPHWHM-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])c(C)n1 ZINC000903859571 584811059 /nfs/dbraw/zinc/81/10/59/584811059.db2.gz NZHJRVNRNJAUAM-GJZGRUSLSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])c(C)n1 ZINC000903859571 584811060 /nfs/dbraw/zinc/81/10/60/584811060.db2.gz NZHJRVNRNJAUAM-GJZGRUSLSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1F ZINC000903860931 584812461 /nfs/dbraw/zinc/81/24/61/584812461.db2.gz UZSHRAROUOXALZ-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1F ZINC000903860931 584812462 /nfs/dbraw/zinc/81/24/62/584812462.db2.gz UZSHRAROUOXALZ-UKRRQHHQSA-N 2 2 248.345 2.447 20 0 BEADLP C[C@H](c1ccccn1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903902971 584821008 /nfs/dbraw/zinc/82/10/08/584821008.db2.gz QDCBBXHYIOTOCO-NXEZZACHSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000903902971 584821009 /nfs/dbraw/zinc/82/10/09/584821009.db2.gz QDCBBXHYIOTOCO-NXEZZACHSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915223 584821126 /nfs/dbraw/zinc/82/11/26/584821126.db2.gz OCOZMKHITWYAKQ-ZJUUUORDSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915223 584821127 /nfs/dbraw/zinc/82/11/27/584821127.db2.gz OCOZMKHITWYAKQ-ZJUUUORDSA-N 2 2 234.334 2.337 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1Cl)CC(F)F ZINC000903923519 584823994 /nfs/dbraw/zinc/82/39/94/584823994.db2.gz WEDJDLJCJQLGAZ-SECBINFHSA-N 2 2 248.704 2.412 20 0 BEADLP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000903959310 584827544 /nfs/dbraw/zinc/82/75/44/584827544.db2.gz FDOQEMJYDGGXJX-ZETOZRRWSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903960627 584828205 /nfs/dbraw/zinc/82/82/05/584828205.db2.gz RKWPLWOJINELBJ-QMTHXVAHSA-N 2 2 244.338 2.439 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000903960722 584828330 /nfs/dbraw/zinc/82/83/30/584828330.db2.gz WJCWWLMPTCFQRV-ZWNOBZJWSA-N 2 2 230.311 2.130 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000903960268 584828615 /nfs/dbraw/zinc/82/86/15/584828615.db2.gz BKUUJOWRLGMCTD-BXKDBHETSA-N 2 2 224.735 2.038 20 0 BEADLP Cc1cc(NC[C@H]([NH3+])CC(C)C)c[nH+]c1C ZINC000903948738 584830435 /nfs/dbraw/zinc/83/04/35/584830435.db2.gz SQQPZEDUCCUBEX-GFCCVEGCSA-N 2 2 221.348 2.484 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950871 584830758 /nfs/dbraw/zinc/83/07/58/584830758.db2.gz SMYQPQQHZALVQQ-CMPLNLGQSA-N 2 2 219.332 2.332 20 0 BEADLP CC1(C)CC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950848 584830897 /nfs/dbraw/zinc/83/08/97/584830897.db2.gz RUMPMWRGMDHSIL-NSHDSACASA-N 2 2 219.332 2.332 20 0 BEADLP COc1cc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)ccc1C ZINC000903986420 584835626 /nfs/dbraw/zinc/83/56/26/584835626.db2.gz JGXSZEPARKHVLH-CQSZACIVSA-N 2 2 248.370 2.173 20 0 BEADLP COc1cc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)ccc1C ZINC000903986420 584835627 /nfs/dbraw/zinc/83/56/27/584835627.db2.gz JGXSZEPARKHVLH-CQSZACIVSA-N 2 2 248.370 2.173 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904350888 584869527 /nfs/dbraw/zinc/86/95/27/584869527.db2.gz RXARTPBFROFUIA-QWHCGFSZSA-N 3 2 243.439 2.247 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000904375663 584875448 /nfs/dbraw/zinc/87/54/48/584875448.db2.gz DWTHNSKUOUNOFB-MXWKQRLJSA-N 2 2 246.345 2.337 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000904375663 584875449 /nfs/dbraw/zinc/87/54/49/584875449.db2.gz DWTHNSKUOUNOFB-MXWKQRLJSA-N 2 2 246.345 2.337 20 0 BEADLP C[C@@]1(C[NH2+]Cc2cc(C3CC3)no2)CCC[NH2+]C1 ZINC000904385768 584877951 /nfs/dbraw/zinc/87/79/51/584877951.db2.gz DPNSLWXLCQPGKF-CQSZACIVSA-N 2 2 249.358 2.031 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000753733616 584905591 /nfs/dbraw/zinc/90/55/91/584905591.db2.gz RRPMVCQDCPIZCY-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000753733616 584905592 /nfs/dbraw/zinc/90/55/92/584905592.db2.gz RRPMVCQDCPIZCY-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000753733616 584905593 /nfs/dbraw/zinc/90/55/93/584905593.db2.gz RRPMVCQDCPIZCY-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000753733616 584905594 /nfs/dbraw/zinc/90/55/94/584905594.db2.gz RRPMVCQDCPIZCY-OLZOCXBDSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000753733610 584905635 /nfs/dbraw/zinc/90/56/35/584905635.db2.gz RRPMVCQDCPIZCY-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000753733610 584905636 /nfs/dbraw/zinc/90/56/36/584905636.db2.gz RRPMVCQDCPIZCY-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000753733610 584905637 /nfs/dbraw/zinc/90/56/37/584905637.db2.gz RRPMVCQDCPIZCY-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000753733610 584905638 /nfs/dbraw/zinc/90/56/38/584905638.db2.gz RRPMVCQDCPIZCY-CHWSQXEVSA-N 2 2 240.391 2.160 20 0 BEADLP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000738430787 585045900 /nfs/dbraw/zinc/04/59/00/585045900.db2.gz QDWUCTVGESRFMK-AWEZNQCLSA-N 2 2 249.402 2.328 20 0 BEADLP CC(C)CCn1cccc1C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000738430787 585045901 /nfs/dbraw/zinc/04/59/01/585045901.db2.gz QDWUCTVGESRFMK-AWEZNQCLSA-N 2 2 249.402 2.328 20 0 BEADLP CCCc1[nH+]ccn1CCCn1cc[nH+]c1 ZINC000070424393 585152094 /nfs/dbraw/zinc/15/20/94/585152094.db2.gz PKHOQQISJSCDBI-UHFFFAOYSA-N 2 2 218.304 2.122 20 0 BEADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC000747530975 585180548 /nfs/dbraw/zinc/18/05/48/585180548.db2.gz ASXONKRLFQMDAK-XYRDXQRHSA-N 2 2 242.794 2.403 20 0 BEADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC000747530975 585180549 /nfs/dbraw/zinc/18/05/49/585180549.db2.gz ASXONKRLFQMDAK-XYRDXQRHSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000747530975 585180550 /nfs/dbraw/zinc/18/05/50/585180550.db2.gz ASXONKRLFQMDAK-XYRDXQRHSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000747530975 585180551 /nfs/dbraw/zinc/18/05/51/585180551.db2.gz ASXONKRLFQMDAK-XYRDXQRHSA-N 2 2 242.794 2.403 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000750801911 585220048 /nfs/dbraw/zinc/22/00/48/585220048.db2.gz RQPRKSQNPHEERC-AWEZNQCLSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000750801911 585220049 /nfs/dbraw/zinc/22/00/49/585220049.db2.gz RQPRKSQNPHEERC-AWEZNQCLSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000756120160 585315015 /nfs/dbraw/zinc/31/50/15/585315015.db2.gz TVNMHWOOYVFZOO-HIFRSBDPSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000756120160 585315016 /nfs/dbraw/zinc/31/50/16/585315016.db2.gz TVNMHWOOYVFZOO-HIFRSBDPSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1nc(NCC[N@H+]2CCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000761908636 585422711 /nfs/dbraw/zinc/42/27/11/585422711.db2.gz SSIUIVXDUFHURY-JTQLQIEISA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(NCC[N@@H+]2CCC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000761908636 585422712 /nfs/dbraw/zinc/42/27/12/585422712.db2.gz SSIUIVXDUFHURY-JTQLQIEISA-N 2 2 248.374 2.298 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000765456056 585486940 /nfs/dbraw/zinc/48/69/40/585486940.db2.gz NGYZTSRVNPQYBI-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000765456056 585486941 /nfs/dbraw/zinc/48/69/41/585486941.db2.gz NGYZTSRVNPQYBI-OCCSQVGLSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772008 585492616 /nfs/dbraw/zinc/49/26/16/585492616.db2.gz ULXCCUDPQLGDQM-IAQYHMDHSA-N 2 2 246.354 2.072 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccc2c(c1)COC2 ZINC000765772008 585492617 /nfs/dbraw/zinc/49/26/17/585492617.db2.gz ULXCCUDPQLGDQM-IAQYHMDHSA-N 2 2 246.354 2.072 20 0 BEADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765765899 585492619 /nfs/dbraw/zinc/49/26/19/585492619.db2.gz ANKINZOJOSBLFN-YDHLFZDLSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765765899 585492620 /nfs/dbraw/zinc/49/26/20/585492620.db2.gz ANKINZOJOSBLFN-YDHLFZDLSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000765765891 585492644 /nfs/dbraw/zinc/49/26/44/585492644.db2.gz ANKINZOJOSBLFN-IPYPFGDCSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000765765891 585492645 /nfs/dbraw/zinc/49/26/45/585492645.db2.gz ANKINZOJOSBLFN-IPYPFGDCSA-N 2 2 232.371 2.472 20 0 BEADLP COC[C@H](CC(C)C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766270389 585500025 /nfs/dbraw/zinc/50/00/25/585500025.db2.gz BEJVOHMULZODCA-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H](CC(C)C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766270389 585500026 /nfs/dbraw/zinc/50/00/26/585500026.db2.gz BEJVOHMULZODCA-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766271344 585500326 /nfs/dbraw/zinc/50/03/26/585500326.db2.gz UEHSITNMLCLHAD-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766271344 585500327 /nfs/dbraw/zinc/50/03/27/585500327.db2.gz UEHSITNMLCLHAD-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000768679778 585541849 /nfs/dbraw/zinc/54/18/49/585541849.db2.gz WMQRHCPOFFHENN-VOMCLLRMSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(C(F)F)C1 ZINC000768679778 585541850 /nfs/dbraw/zinc/54/18/50/585541850.db2.gz WMQRHCPOFFHENN-VOMCLLRMSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483321 585558218 /nfs/dbraw/zinc/55/82/18/585558218.db2.gz HUDGFPBTWASJNK-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483321 585558219 /nfs/dbraw/zinc/55/82/19/585558219.db2.gz HUDGFPBTWASJNK-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483321 585558220 /nfs/dbraw/zinc/55/82/20/585558220.db2.gz HUDGFPBTWASJNK-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483321 585558221 /nfs/dbraw/zinc/55/82/21/585558221.db2.gz HUDGFPBTWASJNK-JSGCOSHPSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483319 585558255 /nfs/dbraw/zinc/55/82/55/585558255.db2.gz HUDGFPBTWASJNK-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483319 585558256 /nfs/dbraw/zinc/55/82/56/585558256.db2.gz HUDGFPBTWASJNK-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483319 585558257 /nfs/dbraw/zinc/55/82/57/585558257.db2.gz HUDGFPBTWASJNK-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccoc2)[C@@H](C)C1 ZINC000769483319 585558258 /nfs/dbraw/zinc/55/82/58/585558258.db2.gz HUDGFPBTWASJNK-GXTWGEPZSA-N 2 2 236.359 2.442 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)c1ccccc1N(C)C ZINC000769689636 585561833 /nfs/dbraw/zinc/56/18/33/585561833.db2.gz SKVRQEKLEYUSOL-STQMWFEESA-N 2 2 247.386 2.107 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000769689636 585561834 /nfs/dbraw/zinc/56/18/34/585561834.db2.gz SKVRQEKLEYUSOL-STQMWFEESA-N 2 2 247.386 2.107 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccccc1N(C)C ZINC000769689633 585561837 /nfs/dbraw/zinc/56/18/37/585561837.db2.gz SKVRQEKLEYUSOL-QWHCGFSZSA-N 2 2 247.386 2.107 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000769689633 585561838 /nfs/dbraw/zinc/56/18/38/585561838.db2.gz SKVRQEKLEYUSOL-QWHCGFSZSA-N 2 2 247.386 2.107 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875093 585668020 /nfs/dbraw/zinc/66/80/20/585668020.db2.gz HEIQWUWADLAUEP-ZIAGYGMSSA-N 2 2 247.342 2.213 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875093 585668021 /nfs/dbraw/zinc/66/80/21/585668021.db2.gz HEIQWUWADLAUEP-ZIAGYGMSSA-N 2 2 247.342 2.213 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875090 585668086 /nfs/dbraw/zinc/66/80/86/585668086.db2.gz HEIQWUWADLAUEP-KBPBESRZSA-N 2 2 247.342 2.213 20 0 BEADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)c[nH+]1 ZINC000774875090 585668087 /nfs/dbraw/zinc/66/80/87/585668087.db2.gz HEIQWUWADLAUEP-KBPBESRZSA-N 2 2 247.342 2.213 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000777128416 585708944 /nfs/dbraw/zinc/70/89/44/585708944.db2.gz ANHJDGZXYDVUAB-BYNQJWBRSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000777128416 585708945 /nfs/dbraw/zinc/70/89/45/585708945.db2.gz ANHJDGZXYDVUAB-BYNQJWBRSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(F)nc1 ZINC000778171402 585726804 /nfs/dbraw/zinc/72/68/04/585726804.db2.gz HEUQAZWBSLKALM-UHFFFAOYSA-N 2 2 245.301 2.256 20 0 BEADLP c1cn(-c2ccc(C[N@H+]3CC=CCC3)cn2)c[nH+]1 ZINC000778969088 585743332 /nfs/dbraw/zinc/74/33/32/585743332.db2.gz GHZKDMWWGBUKTN-UHFFFAOYSA-N 2 2 240.310 2.029 20 0 BEADLP c1cn(-c2ccc(C[N@@H+]3CC=CCC3)cn2)c[nH+]1 ZINC000778969088 585743333 /nfs/dbraw/zinc/74/33/33/585743333.db2.gz GHZKDMWWGBUKTN-UHFFFAOYSA-N 2 2 240.310 2.029 20 0 BEADLP C[C@H](CCCCO)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000779019785 585744413 /nfs/dbraw/zinc/74/44/13/585744413.db2.gz NSUQUZDMKKHLRX-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1oncc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000782515529 585819779 /nfs/dbraw/zinc/81/97/79/585819779.db2.gz FIVXDURFMCDLAX-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2(C)CC2)C1 ZINC000787289155 585905232 /nfs/dbraw/zinc/90/52/32/585905232.db2.gz DXDUSQBJDUSNQY-GFCCVEGCSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 ZINC000787289155 585905233 /nfs/dbraw/zinc/90/52/33/585905233.db2.gz DXDUSQBJDUSNQY-GFCCVEGCSA-N 2 2 233.359 2.400 20 0 BEADLP COC1(C[NH2+]CC[N@@H+]2CCC[C@@H]2C)CCCC1 ZINC000790971878 585971181 /nfs/dbraw/zinc/97/11/81/585971181.db2.gz XNBJGNGWYGJKEN-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+]CC[N@H+]2CCC[C@@H]2C)CCCC1 ZINC000790971878 585971182 /nfs/dbraw/zinc/97/11/82/585971182.db2.gz XNBJGNGWYGJKEN-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP Cl/C=C(/Cl)C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859307993 589029412 /nfs/dbraw/zinc/02/94/12/589029412.db2.gz MZLMQTPPWHEKLZ-XVNBXDOJSA-N 2 2 232.114 2.087 20 0 BEADLP Cl/C=C(/Cl)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000859307993 589029413 /nfs/dbraw/zinc/02/94/13/589029413.db2.gz MZLMQTPPWHEKLZ-XVNBXDOJSA-N 2 2 232.114 2.087 20 0 BEADLP C[N@@H+](C/C=C/Cl)CCC[NH+]1CCCC1 ZINC000799174977 586165046 /nfs/dbraw/zinc/16/50/46/586165046.db2.gz VHJYKRFRKQPPQY-GQCTYLIASA-N 2 2 216.756 2.157 20 0 BEADLP C[N@H+](C/C=C/Cl)CCC[NH+]1CCCC1 ZINC000799174977 586165049 /nfs/dbraw/zinc/16/50/49/586165049.db2.gz VHJYKRFRKQPPQY-GQCTYLIASA-N 2 2 216.756 2.157 20 0 BEADLP CCc1nc(NCC[N@@H+]2CCC[C@@H]2C)cc(C)[nH+]1 ZINC000804522514 586398284 /nfs/dbraw/zinc/39/82/84/586398284.db2.gz ULQZRCHKAHBODW-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(NCC[N@H+]2CCC[C@@H]2C)cc(C)[nH+]1 ZINC000804522514 586398287 /nfs/dbraw/zinc/39/82/87/586398287.db2.gz ULQZRCHKAHBODW-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000809715532 586514606 /nfs/dbraw/zinc/51/46/06/586514606.db2.gz JTCSMVZZOJMCCU-UONOGXRCSA-N 2 2 238.375 2.143 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000809715532 586514607 /nfs/dbraw/zinc/51/46/07/586514607.db2.gz JTCSMVZZOJMCCU-UONOGXRCSA-N 2 2 238.375 2.143 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000813771801 586606319 /nfs/dbraw/zinc/60/63/19/586606319.db2.gz HLWTUTYMVKTJLU-MRXNPFEDSA-N 2 2 244.382 2.359 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000813771801 586606320 /nfs/dbraw/zinc/60/63/20/586606320.db2.gz HLWTUTYMVKTJLU-MRXNPFEDSA-N 2 2 244.382 2.359 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817897917 586835264 /nfs/dbraw/zinc/83/52/64/586835264.db2.gz XUQORFGRVSGODJ-BXUZGUMPSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817897922 586835309 /nfs/dbraw/zinc/83/53/09/586835309.db2.gz XUQORFGRVSGODJ-SMDDNHRTSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@H]([NH2+]CCNc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817901153 586835687 /nfs/dbraw/zinc/83/56/87/586835687.db2.gz SSTXWFVPIILXRU-DZGCQCFKSA-N 2 2 247.386 2.219 20 0 BEADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000817929045 586842311 /nfs/dbraw/zinc/84/23/11/586842311.db2.gz CUKWRQUOYNKPKU-MNOVXSKESA-N 2 2 239.750 2.013 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1cc(Cl)c(N)c(Cl)c1 ZINC000817934046 586843455 /nfs/dbraw/zinc/84/34/55/586843455.db2.gz AVEKJGNBYFQWJF-LURJTMIESA-N 2 2 248.157 2.185 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000817952877 586848555 /nfs/dbraw/zinc/84/85/55/586848555.db2.gz WEKSWVLGJLOTSY-JTQLQIEISA-N 2 2 210.296 2.004 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817953186 586849047 /nfs/dbraw/zinc/84/90/47/586849047.db2.gz WPDHDUBQWOIFNR-ZFWWWQNUSA-N 2 2 230.355 2.324 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc2c(c1)CCCO2 ZINC000817953658 586849470 /nfs/dbraw/zinc/84/94/70/586849470.db2.gz RTMIPEJSZHETAP-CQSZACIVSA-N 2 2 248.370 2.272 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817958203 586850573 /nfs/dbraw/zinc/85/05/73/586850573.db2.gz IPDXIKAVMVUCDZ-KOLCDFICSA-N 2 2 241.766 2.369 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817965343 586853721 /nfs/dbraw/zinc/85/37/21/586853721.db2.gz PDGSXMDVVOYNET-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@H](C)[NH3+] ZINC000817977109 586860750 /nfs/dbraw/zinc/86/07/50/586860750.db2.gz BJJSUSNAPKBWBI-YIZRAAEISA-N 2 2 227.739 2.121 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000817977107 586861003 /nfs/dbraw/zinc/86/10/03/586861003.db2.gz BJJSUSNAPKBWBI-HLTSFMKQSA-N 2 2 227.739 2.121 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000818340726 586887301 /nfs/dbraw/zinc/88/73/01/586887301.db2.gz RRBIOLQNQSDNGR-VXGBXAGGSA-N 2 2 239.750 2.095 20 0 BEADLP CCCCCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000819020817 586924528 /nfs/dbraw/zinc/92/45/28/586924528.db2.gz HPBOEWDHCQAUSM-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000819020817 586924530 /nfs/dbraw/zinc/92/45/30/586924530.db2.gz HPBOEWDHCQAUSM-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CO[C@H]1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000821385589 587115489 /nfs/dbraw/zinc/11/54/89/587115489.db2.gz FXDAMEHWSHUVQY-OLZOCXBDSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098241 587255209 /nfs/dbraw/zinc/25/52/09/587255209.db2.gz JYSHMLZERCRRKE-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098241 587255210 /nfs/dbraw/zinc/25/52/10/587255210.db2.gz JYSHMLZERCRRKE-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@]1(C)C[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000827714626 587399054 /nfs/dbraw/zinc/39/90/54/587399054.db2.gz DJCIPGLTAKVKKV-KGLIPLIRSA-N 2 2 234.343 2.090 20 0 BEADLP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000841035162 587936894 /nfs/dbraw/zinc/93/68/94/587936894.db2.gz INORUIMQMGUYND-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841036250 587937909 /nfs/dbraw/zinc/93/79/09/587937909.db2.gz QGOMGJMZDVSDSZ-UHFFFAOYSA-N 2 2 248.370 2.099 20 0 BEADLP COc1ccc([NH2+]C[C@H]2CC[NH2+][C@H](C)C2)cc1N ZINC000841041225 587938354 /nfs/dbraw/zinc/93/83/54/587938354.db2.gz YIXXOOUUYHXQCA-MNOVXSKESA-N 2 2 249.358 2.077 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000841065310 587941517 /nfs/dbraw/zinc/94/15/17/587941517.db2.gz NPDHCNLWBXQJDK-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OC ZINC000841071188 587942943 /nfs/dbraw/zinc/94/29/43/587942943.db2.gz ZYBJCMCRVUCNJG-NSHDSACASA-N 2 2 242.750 2.176 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841072987 587944399 /nfs/dbraw/zinc/94/43/99/587944399.db2.gz TYSJNKYGLYXQKL-NSHDSACASA-N 2 2 248.326 2.268 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000841077907 587944890 /nfs/dbraw/zinc/94/48/90/587944890.db2.gz FRWIJCNCFHGBAQ-IUCAKERBSA-N 2 2 248.754 2.191 20 0 BEADLP CC(C)c1nc(NC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000842272514 588010791 /nfs/dbraw/zinc/01/07/91/588010791.db2.gz MVEABSHHYJGQEN-LLVKDONJSA-N 2 2 234.347 2.154 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(Cl)n1 ZINC000842475298 588029786 /nfs/dbraw/zinc/02/97/86/588029786.db2.gz MPZQMFBWABSNRC-SNVBAGLBSA-N 2 2 241.766 2.198 20 0 BEADLP COc1cccc2cc(C[N@H+](C)[C@@H](C)C[NH3+])oc21 ZINC000843051172 588077137 /nfs/dbraw/zinc/07/71/37/588077137.db2.gz FLPFCGXDBNEJST-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP COc1cccc2cc(C[N@@H+](C)[C@@H](C)C[NH3+])oc21 ZINC000843051172 588077138 /nfs/dbraw/zinc/07/71/38/588077138.db2.gz FLPFCGXDBNEJST-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)no1 ZINC000843060058 588077523 /nfs/dbraw/zinc/07/75/23/588077523.db2.gz AYEXIBNYRJCFMR-JSGCOSHPSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)no1 ZINC000843060058 588077525 /nfs/dbraw/zinc/07/75/25/588077525.db2.gz AYEXIBNYRJCFMR-JSGCOSHPSA-N 2 2 249.358 2.120 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000843347948 588102561 /nfs/dbraw/zinc/10/25/61/588102561.db2.gz YXEAJFDMSLKFBW-KBPBESRZSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347948 588102562 /nfs/dbraw/zinc/10/25/62/588102562.db2.gz YXEAJFDMSLKFBW-KBPBESRZSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC000843347951 588102690 /nfs/dbraw/zinc/10/26/90/588102690.db2.gz YXEAJFDMSLKFBW-UONOGXRCSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCCCCC[NH3+] ZINC000843347951 588102692 /nfs/dbraw/zinc/10/26/92/588102692.db2.gz YXEAJFDMSLKFBW-UONOGXRCSA-N 3 2 241.423 2.097 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000843358620 588104040 /nfs/dbraw/zinc/10/40/40/588104040.db2.gz INVILKLMROKZAX-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000843358620 588104041 /nfs/dbraw/zinc/10/40/41/588104041.db2.gz INVILKLMROKZAX-SECBINFHSA-N 2 2 244.285 2.067 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000844328923 588184920 /nfs/dbraw/zinc/18/49/20/588184920.db2.gz YSQQLXDQVRVWQE-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000844328923 588184922 /nfs/dbraw/zinc/18/49/22/588184922.db2.gz YSQQLXDQVRVWQE-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP FC1(F)C[C@]12CCC[N@H+](CC[NH+]1CCCC1)C2 ZINC000844438412 588192906 /nfs/dbraw/zinc/19/29/06/588192906.db2.gz ODFWVADZDTTZJQ-LBPRGKRZSA-N 2 2 244.329 2.203 20 0 BEADLP FC1(F)C[C@]12CCC[N@@H+](CC[NH+]1CCCC1)C2 ZINC000844438412 588192908 /nfs/dbraw/zinc/19/29/08/588192908.db2.gz ODFWVADZDTTZJQ-LBPRGKRZSA-N 2 2 244.329 2.203 20 0 BEADLP FC1(F)C[C@@]12CCC[N@H+](CC[NH+]1CCCC1)C2 ZINC000844438411 588193046 /nfs/dbraw/zinc/19/30/46/588193046.db2.gz ODFWVADZDTTZJQ-GFCCVEGCSA-N 2 2 244.329 2.203 20 0 BEADLP FC1(F)C[C@@]12CCC[N@@H+](CC[NH+]1CCCC1)C2 ZINC000844438411 588193047 /nfs/dbraw/zinc/19/30/47/588193047.db2.gz ODFWVADZDTTZJQ-GFCCVEGCSA-N 2 2 244.329 2.203 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000847089859 588305849 /nfs/dbraw/zinc/30/58/49/588305849.db2.gz LJZPEALHZUSGGI-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000848530868 588393340 /nfs/dbraw/zinc/39/33/40/588393340.db2.gz HVENQHILCKQXJS-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000848530868 588393342 /nfs/dbraw/zinc/39/33/42/588393342.db2.gz HVENQHILCKQXJS-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000848928725 588421726 /nfs/dbraw/zinc/42/17/26/588421726.db2.gz LUTNLHPYRLFYBA-CYBMUJFWSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C[C@@H](C)O)C1CC1 ZINC000848928725 588421727 /nfs/dbraw/zinc/42/17/27/588421727.db2.gz LUTNLHPYRLFYBA-CYBMUJFWSA-N 2 2 248.370 2.168 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000850437942 588546746 /nfs/dbraw/zinc/54/67/46/588546746.db2.gz BBODYKFNONXBLL-RYUDHWBXSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000850437942 588546747 /nfs/dbraw/zinc/54/67/47/588546747.db2.gz BBODYKFNONXBLL-RYUDHWBXSA-N 2 2 248.411 2.152 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852750196 588697077 /nfs/dbraw/zinc/69/70/77/588697077.db2.gz NLXBPRLRIUWPKE-LLVKDONJSA-N 2 2 249.185 2.381 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852750196 588697078 /nfs/dbraw/zinc/69/70/78/588697078.db2.gz NLXBPRLRIUWPKE-LLVKDONJSA-N 2 2 249.185 2.381 20 0 BEADLP C[C@@](C[NH3+])([NH2+]CC=C(Cl)Cl)C1CC1 ZINC000852740693 588698503 /nfs/dbraw/zinc/69/85/03/588698503.db2.gz JTSRRXPANUQSJT-VIFPVBQESA-N 2 2 223.147 2.022 20 0 BEADLP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)c(Cl)n1 ZINC000852746407 588698756 /nfs/dbraw/zinc/69/87/56/588698756.db2.gz KUJSUCLKUITHFC-UHFFFAOYSA-N 2 2 239.750 2.014 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000862295365 589200516 /nfs/dbraw/zinc/20/05/16/589200516.db2.gz DJBYFOWSGPGTQV-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000862295365 589200517 /nfs/dbraw/zinc/20/05/17/589200517.db2.gz DJBYFOWSGPGTQV-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000862295368 589200569 /nfs/dbraw/zinc/20/05/69/589200569.db2.gz DJBYFOWSGPGTQV-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000862295368 589200570 /nfs/dbraw/zinc/20/05/70/589200570.db2.gz DJBYFOWSGPGTQV-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000863569796 589300839 /nfs/dbraw/zinc/30/08/39/589300839.db2.gz PLKXKCCCDICOQF-ZANVPECISA-N 2 2 222.307 2.092 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000863569796 589300840 /nfs/dbraw/zinc/30/08/40/589300840.db2.gz PLKXKCCCDICOQF-ZANVPECISA-N 2 2 222.307 2.092 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863643889 589306888 /nfs/dbraw/zinc/30/68/88/589306888.db2.gz AMUBPHQKZIUUCT-DTWKUNHWSA-N 2 2 236.281 2.202 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000863651503 589306896 /nfs/dbraw/zinc/30/68/96/589306896.db2.gz KJEXESNBASHMKF-UFFNRZRYSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000863651503 589306898 /nfs/dbraw/zinc/30/68/98/589306898.db2.gz KJEXESNBASHMKF-UFFNRZRYSA-N 2 2 222.307 2.118 20 0 BEADLP ClC1(Cl)C[C@H]1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000864049770 589334483 /nfs/dbraw/zinc/33/44/83/589334483.db2.gz KLXYLSQDNXUWMP-SSDOTTSWSA-N 2 2 234.130 2.083 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)o1 ZINC000120977837 589483165 /nfs/dbraw/zinc/48/31/65/589483165.db2.gz XOKGQSZNIOOLCG-QMTHXVAHSA-N 2 2 236.359 2.469 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)o1 ZINC000120977837 589483166 /nfs/dbraw/zinc/48/31/66/589483166.db2.gz XOKGQSZNIOOLCG-QMTHXVAHSA-N 2 2 236.359 2.469 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000866259233 589483400 /nfs/dbraw/zinc/48/34/00/589483400.db2.gz KDUGUHHYRXQXMF-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000866259233 589483401 /nfs/dbraw/zinc/48/34/01/589483401.db2.gz KDUGUHHYRXQXMF-UKRRQHHQSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583194 589501474 /nfs/dbraw/zinc/50/14/74/589501474.db2.gz BANPQZMIHQACJO-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000866583194 589501475 /nfs/dbraw/zinc/50/14/75/589501475.db2.gz BANPQZMIHQACJO-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866583194 589501476 /nfs/dbraw/zinc/50/14/76/589501476.db2.gz BANPQZMIHQACJO-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866583194 589501477 /nfs/dbraw/zinc/50/14/77/589501477.db2.gz BANPQZMIHQACJO-VHDGCEQUSA-N 2 2 245.370 2.169 20 0 BEADLP Cc1cccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866722327 589515396 /nfs/dbraw/zinc/51/53/96/589515396.db2.gz XEEBBKSQFKTPAL-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866722327 589515397 /nfs/dbraw/zinc/51/53/97/589515397.db2.gz XEEBBKSQFKTPAL-CABCVRRESA-N 2 2 230.355 2.321 20 0 BEADLP c1csc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723112 589515906 /nfs/dbraw/zinc/51/59/06/589515906.db2.gz DIUVNPCGKAXNAR-STQMWFEESA-N 2 2 236.384 2.117 20 0 BEADLP c1csc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723112 589515907 /nfs/dbraw/zinc/51/59/07/589515907.db2.gz DIUVNPCGKAXNAR-STQMWFEESA-N 2 2 236.384 2.117 20 0 BEADLP C(CC1CCC1)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726290 589516484 /nfs/dbraw/zinc/51/64/84/589516484.db2.gz XWDDBTKRPTVYMD-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CCC1)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726290 589516485 /nfs/dbraw/zinc/51/64/85/589516485.db2.gz XWDDBTKRPTVYMD-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+](CCCCCCC[NH3+])CC(F)F ZINC000122624154 589610638 /nfs/dbraw/zinc/61/06/38/589610638.db2.gz IDKCWGQGHWARBY-UHFFFAOYSA-N 2 2 208.296 2.093 20 0 BEADLP C[N@@H+](CCCCCCC[NH3+])CC(F)F ZINC000122624154 589610639 /nfs/dbraw/zinc/61/06/39/589610639.db2.gz IDKCWGQGHWARBY-UHFFFAOYSA-N 2 2 208.296 2.093 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872038556 589858981 /nfs/dbraw/zinc/85/89/81/589858981.db2.gz MOBXRLMXMQHXCW-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872038556 589858982 /nfs/dbraw/zinc/85/89/82/589858982.db2.gz MOBXRLMXMQHXCW-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872106590 589872856 /nfs/dbraw/zinc/87/28/56/589872856.db2.gz HGHKJKJXXYLVAL-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872106590 589872857 /nfs/dbraw/zinc/87/28/57/589872857.db2.gz HGHKJKJXXYLVAL-MGPQQGTHSA-N 2 2 222.376 2.273 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1scnc1Cl ZINC000872145843 589883927 /nfs/dbraw/zinc/88/39/27/589883927.db2.gz WSPAOJNZQUNTCJ-QMMMGPOBSA-N 2 2 247.795 2.260 20 0 BEADLP CC(C)Cc1cc(NCCC[NH2+]C2CC2)nc[nH+]1 ZINC000872777636 589968682 /nfs/dbraw/zinc/96/86/82/589968682.db2.gz JYXZPYYHYRQPRR-UHFFFAOYSA-N 2 2 248.374 2.229 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000873221920 590000124 /nfs/dbraw/zinc/00/01/24/590000124.db2.gz TYOKECOOZIEUIP-VXGBXAGGSA-N 2 2 242.432 2.059 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000873221920 590000126 /nfs/dbraw/zinc/00/01/26/590000126.db2.gz TYOKECOOZIEUIP-VXGBXAGGSA-N 2 2 242.432 2.059 20 0 BEADLP c1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228445 590001036 /nfs/dbraw/zinc/00/10/36/590001036.db2.gz DZESDFDQVULTTN-KBPBESRZSA-N 2 2 216.328 2.061 20 0 BEADLP Cc1ccccc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229389 590001453 /nfs/dbraw/zinc/00/14/53/590001453.db2.gz WANBITOFAPFHOQ-HUUCEWRRSA-N 2 2 230.355 2.369 20 0 BEADLP c1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cs1 ZINC000873230262 590001537 /nfs/dbraw/zinc/00/15/37/590001537.db2.gz OIKKQBTVGZHQQB-RYUDHWBXSA-N 2 2 222.357 2.122 20 0 BEADLP Fc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230031 590002041 /nfs/dbraw/zinc/00/20/41/590002041.db2.gz KZZNCJVXZPRDME-KGLIPLIRSA-N 2 2 234.318 2.200 20 0 BEADLP c1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cs1 ZINC000873230261 590002266 /nfs/dbraw/zinc/00/22/66/590002266.db2.gz OIKKQBTVGZHQQB-NWDGAFQWSA-N 2 2 222.357 2.122 20 0 BEADLP Cc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230220 590002219 /nfs/dbraw/zinc/00/22/19/590002219.db2.gz NPFTYUHDHPGFSL-CABCVRRESA-N 2 2 230.355 2.369 20 0 BEADLP COc1ccccc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230392 590002305 /nfs/dbraw/zinc/00/23/05/590002305.db2.gz QSBOKPUFQGSUFF-CABCVRRESA-N 2 2 246.354 2.069 20 0 BEADLP COc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230921 590003501 /nfs/dbraw/zinc/00/35/01/590003501.db2.gz ZVVHBFFQPQNQMB-HUUCEWRRSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccsc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230713 590003621 /nfs/dbraw/zinc/00/36/21/590003621.db2.gz XASWDZIUKIWFTB-CHWSQXEVSA-N 2 2 236.384 2.431 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)[C@H]1CCCC[NH2+]1 ZINC000873238555 590005149 /nfs/dbraw/zinc/00/51/49/590005149.db2.gz BLFNDFKFAGZCCW-WUHRBBMRSA-N 2 2 228.355 2.387 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873294234 590022844 /nfs/dbraw/zinc/02/28/44/590022844.db2.gz QRVASNFMEFFTRZ-UHOFOFEASA-N 2 2 244.382 2.479 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873296002 590023904 /nfs/dbraw/zinc/02/39/04/590023904.db2.gz CFRDNBGTYCAKLR-UHOFOFEASA-N 2 2 244.382 2.479 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873296000 590024286 /nfs/dbraw/zinc/02/42/86/590024286.db2.gz CFRDNBGTYCAKLR-DAXOMENPSA-N 2 2 244.382 2.479 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+](C)C ZINC000020201412 590085746 /nfs/dbraw/zinc/08/57/46/590085746.db2.gz AHTOXQISCUCXPA-AAEUAGOBSA-N 2 2 212.381 2.351 20 0 BEADLP c1cnc2c(c1)cccc2C[N@@H+]1CCC[NH2+]CC1 ZINC000020244488 590092156 /nfs/dbraw/zinc/09/21/56/590092156.db2.gz JBOWMKMVFXOONR-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1cnc2c(c1)cccc2C[N@H+]1CCC[NH2+]CC1 ZINC000020244488 590092159 /nfs/dbraw/zinc/09/21/59/590092159.db2.gz JBOWMKMVFXOONR-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000125586228 590171686 /nfs/dbraw/zinc/17/16/86/590171686.db2.gz AIWHJZRENOYRIG-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000125586228 590171688 /nfs/dbraw/zinc/17/16/88/590171688.db2.gz AIWHJZRENOYRIG-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c(C)[nH+]1 ZINC000876729798 590234500 /nfs/dbraw/zinc/23/45/00/590234500.db2.gz XMWBYGFGNRQYED-TXEJJXNPSA-N 2 2 247.342 2.154 20 0 BEADLP COCCC[N@H+](C)CC[NH2+]CC1(C)CCCC1 ZINC000877071392 590277707 /nfs/dbraw/zinc/27/77/07/590277707.db2.gz MFWOCXZTINNPRQ-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+]CC1(C)CCCC1 ZINC000877071392 590277708 /nfs/dbraw/zinc/27/77/08/590277708.db2.gz MFWOCXZTINNPRQ-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@@H+]2CCC[C@H]2C)CC1 ZINC000877156572 590293621 /nfs/dbraw/zinc/29/36/21/590293621.db2.gz XNZIEVANALZVQP-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C1(C[NH2+]CC[N@H+]2CCC[C@H]2C)CC1 ZINC000877156572 590293623 /nfs/dbraw/zinc/29/36/23/590293623.db2.gz XNZIEVANALZVQP-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(CCC[NH2+]C2CSC2)c[nH+]1 ZINC000877634053 590378925 /nfs/dbraw/zinc/37/89/25/590378925.db2.gz DBJZXRYTRHFTOO-UHFFFAOYSA-N 2 2 222.357 2.028 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1CSC1 ZINC000877634694 590379721 /nfs/dbraw/zinc/37/97/21/590379721.db2.gz QMPSQHJJRRTGEZ-UHFFFAOYSA-N 2 2 222.357 2.028 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH+]2CC(C)(C)C2)s1 ZINC000877717653 590399130 /nfs/dbraw/zinc/39/91/30/590399130.db2.gz NUSJATWYGDEPAO-UHFFFAOYSA-N 2 2 239.388 2.047 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000877742840 590409919 /nfs/dbraw/zinc/40/99/19/590409919.db2.gz GPRNTXQQNMSXQR-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000877742840 590409921 /nfs/dbraw/zinc/40/99/21/590409921.db2.gz GPRNTXQQNMSXQR-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000877742840 590409924 /nfs/dbraw/zinc/40/99/24/590409924.db2.gz GPRNTXQQNMSXQR-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000877742840 590409927 /nfs/dbraw/zinc/40/99/27/590409927.db2.gz GPRNTXQQNMSXQR-OLZOCXBDSA-N 2 2 236.384 2.274 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877743402 590411011 /nfs/dbraw/zinc/41/10/11/590411011.db2.gz KHSULAWGQFYQAU-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)o1 ZINC000877743402 590411004 /nfs/dbraw/zinc/41/10/04/590411004.db2.gz KHSULAWGQFYQAU-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)o1 ZINC000877743402 590411007 /nfs/dbraw/zinc/41/10/07/590411007.db2.gz KHSULAWGQFYQAU-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877743402 590411014 /nfs/dbraw/zinc/41/10/14/590411014.db2.gz KHSULAWGQFYQAU-TZMCWYRMSA-N 2 2 234.343 2.114 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877744732 590413084 /nfs/dbraw/zinc/41/30/84/590413084.db2.gz XITPFAGMFQCXJM-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877744732 590413087 /nfs/dbraw/zinc/41/30/87/590413087.db2.gz XITPFAGMFQCXJM-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)o1 ZINC000877744732 590413088 /nfs/dbraw/zinc/41/30/88/590413088.db2.gz XITPFAGMFQCXJM-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)o1 ZINC000877744732 590413090 /nfs/dbraw/zinc/41/30/90/590413090.db2.gz XITPFAGMFQCXJM-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744997 590413331 /nfs/dbraw/zinc/41/33/31/590413331.db2.gz YWORJTGJFNIIPO-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744997 590413333 /nfs/dbraw/zinc/41/33/33/590413333.db2.gz YWORJTGJFNIIPO-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744997 590413334 /nfs/dbraw/zinc/41/33/34/590413334.db2.gz YWORJTGJFNIIPO-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744997 590413336 /nfs/dbraw/zinc/41/33/36/590413336.db2.gz YWORJTGJFNIIPO-UKRRQHHQSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC000879577168 590814511 /nfs/dbraw/zinc/81/45/11/590814511.db2.gz HDLOSYDDLBSNQZ-FBHVHMQKSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC000879577168 590814515 /nfs/dbraw/zinc/81/45/15/590814515.db2.gz HDLOSYDDLBSNQZ-FBHVHMQKSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC000879577168 590814518 /nfs/dbraw/zinc/81/45/18/590814518.db2.gz HDLOSYDDLBSNQZ-FBHVHMQKSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]21 ZINC000879577168 590814521 /nfs/dbraw/zinc/81/45/21/590814521.db2.gz HDLOSYDDLBSNQZ-FBHVHMQKSA-N 2 2 249.185 2.331 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000880132256 590934544 /nfs/dbraw/zinc/93/45/44/590934544.db2.gz LCUIAVPQTZXOLO-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000880132256 590934546 /nfs/dbraw/zinc/93/45/46/590934546.db2.gz LCUIAVPQTZXOLO-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)n1 ZINC000880132256 590934549 /nfs/dbraw/zinc/93/45/49/590934549.db2.gz LCUIAVPQTZXOLO-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)n1 ZINC000880132256 590934554 /nfs/dbraw/zinc/93/45/54/590934554.db2.gz LCUIAVPQTZXOLO-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880135860 590937276 /nfs/dbraw/zinc/93/72/76/590937276.db2.gz BACSGGKFKYOWNM-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880135860 590937279 /nfs/dbraw/zinc/93/72/79/590937279.db2.gz BACSGGKFKYOWNM-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880135860 590937282 /nfs/dbraw/zinc/93/72/82/590937282.db2.gz BACSGGKFKYOWNM-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880135860 590937286 /nfs/dbraw/zinc/93/72/86/590937286.db2.gz BACSGGKFKYOWNM-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880135858 590938036 /nfs/dbraw/zinc/93/80/36/590938036.db2.gz BACSGGKFKYOWNM-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880135858 590938039 /nfs/dbraw/zinc/93/80/39/590938039.db2.gz BACSGGKFKYOWNM-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880135858 590938040 /nfs/dbraw/zinc/93/80/40/590938040.db2.gz BACSGGKFKYOWNM-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880135858 590938043 /nfs/dbraw/zinc/93/80/43/590938043.db2.gz BACSGGKFKYOWNM-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP C=C/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140075 590939311 /nfs/dbraw/zinc/93/93/11/590939311.db2.gz DNVVVISXAZUGJW-UUSXEQNQSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140075 590939312 /nfs/dbraw/zinc/93/93/12/590939312.db2.gz DNVVVISXAZUGJW-UUSXEQNQSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140075 590939313 /nfs/dbraw/zinc/93/93/13/590939313.db2.gz DNVVVISXAZUGJW-UUSXEQNQSA-N 2 2 220.360 2.287 20 0 BEADLP C=C/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140075 590939315 /nfs/dbraw/zinc/93/93/15/590939315.db2.gz DNVVVISXAZUGJW-UUSXEQNQSA-N 2 2 220.360 2.287 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880141986 590941478 /nfs/dbraw/zinc/94/14/78/590941478.db2.gz LJHUHLBVGGQHFQ-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880141986 590941481 /nfs/dbraw/zinc/94/14/81/590941481.db2.gz LJHUHLBVGGQHFQ-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141986 590941483 /nfs/dbraw/zinc/94/14/83/590941483.db2.gz LJHUHLBVGGQHFQ-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ncccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141986 590941487 /nfs/dbraw/zinc/94/14/87/590941487.db2.gz LJHUHLBVGGQHFQ-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1[nH+]cnc(N[C@H](C)C[N@@H+](C)C(C)C)c1C ZINC000882383560 591340193 /nfs/dbraw/zinc/34/01/93/591340193.db2.gz SFEYMWHJGPXNLH-SNVBAGLBSA-N 2 2 236.363 2.234 20 0 BEADLP Cc1[nH+]cnc(N[C@H](C)C[N@H+](C)C(C)C)c1C ZINC000882383560 591340189 /nfs/dbraw/zinc/34/01/89/591340189.db2.gz SFEYMWHJGPXNLH-SNVBAGLBSA-N 2 2 236.363 2.234 20 0 BEADLP Cc1[nH+]cnc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000882425610 591346241 /nfs/dbraw/zinc/34/62/41/591346241.db2.gz XGEPKXUFGMZKKS-YHWZYXNKSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1[nH+]cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000882425610 591346245 /nfs/dbraw/zinc/34/62/45/591346245.db2.gz XGEPKXUFGMZKKS-YHWZYXNKSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1C ZINC000882518666 591381220 /nfs/dbraw/zinc/38/12/20/591381220.db2.gz VPOCSPLWODGQKM-RYUDHWBXSA-N 2 2 248.374 2.234 20 0 BEADLP CCC(CC)[NH2+]CCNc1nc[nH+]c(C)c1C ZINC000882533280 591385411 /nfs/dbraw/zinc/38/54/11/591385411.db2.gz RLMYDMWHUZKPQC-UHFFFAOYSA-N 2 2 236.363 2.284 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1(CC3CC3)CC1)CCC2 ZINC000883248245 591589890 /nfs/dbraw/zinc/58/98/90/591589890.db2.gz MNJDEMOMOCICDB-UHFFFAOYSA-N 2 2 245.370 2.499 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000883267448 591601343 /nfs/dbraw/zinc/60/13/43/591601343.db2.gz FNZHTLYGMIPICY-BSWNYTGASA-N 2 2 220.360 2.191 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000883267448 591601344 /nfs/dbraw/zinc/60/13/44/591601344.db2.gz FNZHTLYGMIPICY-BSWNYTGASA-N 2 2 220.360 2.191 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000883355317 591626061 /nfs/dbraw/zinc/62/60/61/591626061.db2.gz OEQGGBSREGOLJZ-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000883355317 591626064 /nfs/dbraw/zinc/62/60/64/591626064.db2.gz OEQGGBSREGOLJZ-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CCc1ccc(NCc2c[nH+]cn2CC)[nH+]c1 ZINC000883383777 591638914 /nfs/dbraw/zinc/63/89/14/591638914.db2.gz GJWDQZUTYSKLKG-UHFFFAOYSA-N 2 2 230.315 2.473 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883415817 591651152 /nfs/dbraw/zinc/65/11/52/591651152.db2.gz FOJPERARWAISLY-WDEREUQCSA-N 2 2 232.318 2.235 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883415817 591651155 /nfs/dbraw/zinc/65/11/55/591651155.db2.gz FOJPERARWAISLY-WDEREUQCSA-N 2 2 232.318 2.235 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883417355 591652360 /nfs/dbraw/zinc/65/23/60/591652360.db2.gz XXKHRSPUHFSPDV-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883417355 591652362 /nfs/dbraw/zinc/65/23/62/591652362.db2.gz XXKHRSPUHFSPDV-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883430657 591662065 /nfs/dbraw/zinc/66/20/65/591662065.db2.gz ZRMNKQRMHTWWNL-AXFHLTTASA-N 2 2 232.318 2.233 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883430657 591662068 /nfs/dbraw/zinc/66/20/68/591662068.db2.gz ZRMNKQRMHTWWNL-AXFHLTTASA-N 2 2 232.318 2.233 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883438482 591667753 /nfs/dbraw/zinc/66/77/53/591667753.db2.gz UIVHTCINBGANIO-GMTAPVOTSA-N 2 2 232.318 2.233 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(Cl)n1 ZINC000883441525 591669451 /nfs/dbraw/zinc/66/94/51/591669451.db2.gz QROYAXMRLJRTHR-SFYZADRCSA-N 2 2 245.779 2.012 20 0 BEADLP CC(C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000133019049 591755874 /nfs/dbraw/zinc/75/58/74/591755874.db2.gz LVADRRUSTHFDTH-UHFFFAOYSA-N 2 2 233.359 2.259 20 0 BEADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000133302066 591785147 /nfs/dbraw/zinc/78/51/47/591785147.db2.gz XRUGKJGRQDSKDW-YDHLFZDLSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000133302285 591785777 /nfs/dbraw/zinc/78/57/77/591785777.db2.gz XRUGKJGRQDSKDW-IPYPFGDCSA-N 2 2 248.370 2.104 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133531521 591820933 /nfs/dbraw/zinc/82/09/33/591820933.db2.gz WEKNJFQEJLFKBL-BFHYXJOUSA-N 2 2 242.407 2.312 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000133608739 591842676 /nfs/dbraw/zinc/84/26/76/591842676.db2.gz CBGPTXVHSARJPE-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000133608739 591842677 /nfs/dbraw/zinc/84/26/77/591842677.db2.gz CBGPTXVHSARJPE-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000134115158 591888253 /nfs/dbraw/zinc/88/82/53/591888253.db2.gz XRUGKJGRQDSKDW-GUTXKFCHSA-N 2 2 248.370 2.104 20 0 BEADLP CCc1nc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000884553170 591977395 /nfs/dbraw/zinc/97/73/95/591977395.db2.gz QPNLQXRTEVZFMM-LLVKDONJSA-N 2 2 248.374 2.324 20 0 BEADLP CCc1nc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000884553170 591977398 /nfs/dbraw/zinc/97/73/98/591977398.db2.gz QPNLQXRTEVZFMM-LLVKDONJSA-N 2 2 248.374 2.324 20 0 BEADLP Cc1coc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000885949047 592113655 /nfs/dbraw/zinc/11/36/55/592113655.db2.gz MWILDLKMPPRIGL-LBPRGKRZSA-N 2 2 233.315 2.210 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885969339 592118813 /nfs/dbraw/zinc/11/88/13/592118813.db2.gz OZRBWYSTLWOUAK-PKXJPQMGSA-N 2 2 234.318 2.133 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885969339 592118814 /nfs/dbraw/zinc/11/88/14/592118814.db2.gz OZRBWYSTLWOUAK-PKXJPQMGSA-N 2 2 234.318 2.133 20 0 BEADLP Cc1n[nH]c(C[NH2+]CCc2cc[nH+]cc2C)c1C ZINC000886046294 592140341 /nfs/dbraw/zinc/14/03/41/592140341.db2.gz DXWDWIDPKORWPP-UHFFFAOYSA-N 2 2 244.342 2.062 20 0 BEADLP CCN(Cc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC000886846863 592364523 /nfs/dbraw/zinc/36/45/23/592364523.db2.gz QLASEXKTBCQJHW-CQSZACIVSA-N 2 2 247.386 2.191 20 0 BEADLP CC[N@H+](Cc1ccc(C)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000104329026 592611775 /nfs/dbraw/zinc/61/17/75/592611775.db2.gz LTAUNZFCCHJNJU-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@@H+](Cc1ccc(C)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000104329026 592611776 /nfs/dbraw/zinc/61/17/76/592611776.db2.gz LTAUNZFCCHJNJU-CYBMUJFWSA-N 2 2 236.334 2.318 20 0 BEADLP CCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088802 987389768 /nfs/dbraw/zinc/38/97/68/987389768.db2.gz XPQYRRAGRLDVPF-QJPTWQEYSA-N 2 2 216.344 2.245 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])cs1 ZINC000925738083 634595162 /nfs/dbraw/zinc/59/51/62/634595162.db2.gz NBMXWUBCSRZUMF-MRVPVSSYSA-N 2 2 227.377 2.230 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054111044 635392413 /nfs/dbraw/zinc/39/24/13/635392413.db2.gz MBYATVBMNFZGSF-VXGBXAGGSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054111044 635392420 /nfs/dbraw/zinc/39/24/20/635392420.db2.gz MBYATVBMNFZGSF-VXGBXAGGSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054111046 635391190 /nfs/dbraw/zinc/39/11/90/635391190.db2.gz MBYATVBMNFZGSF-NEPJUHHUSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054111046 635391193 /nfs/dbraw/zinc/39/11/93/635391193.db2.gz MBYATVBMNFZGSF-NEPJUHHUSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C)(C)CC1 ZINC000061819496 631277008 /nfs/dbraw/zinc/27/70/08/631277008.db2.gz NBOUEAZBCBGEDP-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCCCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000308606143 631444419 /nfs/dbraw/zinc/44/44/19/631444419.db2.gz ARSIGKCZLKXFEO-UHFFFAOYSA-N 2 2 200.370 2.497 20 0 BEADLP Cc1[nH]c(C[NH2+][C@H]2CCOC23CCCC3)c(C)[nH+]1 ZINC000934381796 631813275 /nfs/dbraw/zinc/81/32/75/631813275.db2.gz RMIATHQVZJFRIL-ZDUSSCGKSA-N 2 2 249.358 2.218 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc2cccnc21 ZINC000111380966 631865021 /nfs/dbraw/zinc/86/50/21/631865021.db2.gz OZLZCZKDKBVJPQ-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc2cccnc21 ZINC000111380966 631865023 /nfs/dbraw/zinc/86/50/23/631865023.db2.gz OZLZCZKDKBVJPQ-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000309113048 631887978 /nfs/dbraw/zinc/88/79/78/631887978.db2.gz KICDNNCZAPULGP-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000309113048 631887983 /nfs/dbraw/zinc/88/79/83/631887983.db2.gz KICDNNCZAPULGP-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000235708567 632818267 /nfs/dbraw/zinc/81/82/67/632818267.db2.gz DZNZQNZUQUJSOU-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000235708567 632818270 /nfs/dbraw/zinc/81/82/70/632818270.db2.gz DZNZQNZUQUJSOU-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP CCC1(C)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309316865 632926811 /nfs/dbraw/zinc/92/68/11/632926811.db2.gz PLEBCDDDCXMXSU-JTQLQIEISA-N 2 2 234.334 2.481 20 0 BEADLP CC[N@H+]1[C@H](C)CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000895099547 636055954 /nfs/dbraw/zinc/05/59/54/636055954.db2.gz JDANJFLELDNIGU-TXEJJXNPSA-N 2 2 248.374 2.012 20 0 BEADLP CC[N@@H+]1[C@H](C)CN(c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000895099547 636055957 /nfs/dbraw/zinc/05/59/57/636055957.db2.gz JDANJFLELDNIGU-TXEJJXNPSA-N 2 2 248.374 2.012 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000309768760 633725419 /nfs/dbraw/zinc/72/54/19/633725419.db2.gz JZBLQMJCDLVWGM-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000309768760 633725428 /nfs/dbraw/zinc/72/54/28/633725428.db2.gz JZBLQMJCDLVWGM-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201664 633810257 /nfs/dbraw/zinc/81/02/57/633810257.db2.gz OHDVSOMFELDPQE-LBPRGKRZSA-N 2 2 200.370 2.352 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000309503006 633937708 /nfs/dbraw/zinc/93/77/08/633937708.db2.gz MCRDYISPOJPTPX-JXQTWKCFSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CCC(C)(C)C ZINC000053344167 634169335 /nfs/dbraw/zinc/16/93/35/634169335.db2.gz JQRZMZMBGIIMNA-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CCC(C)(C)C ZINC000053344167 634169339 /nfs/dbraw/zinc/16/93/39/634169339.db2.gz JQRZMZMBGIIMNA-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]CC1=CCOCC1)c1ccccc1 ZINC000925679002 634276880 /nfs/dbraw/zinc/27/68/80/634276880.db2.gz GZDQNDVEMLPGMN-WFASDCNBSA-N 2 2 246.354 2.011 20 0 BEADLP C[N@H+](CCc1ccccc1F)CC(C)(C)[NH3+] ZINC000258916289 635225721 /nfs/dbraw/zinc/22/57/21/635225721.db2.gz UAHJAMDYPQRZCK-UHFFFAOYSA-N 2 2 224.323 2.037 20 0 BEADLP C[N@@H+](CCc1ccccc1F)CC(C)(C)[NH3+] ZINC000258916289 635225727 /nfs/dbraw/zinc/22/57/27/635225727.db2.gz UAHJAMDYPQRZCK-UHFFFAOYSA-N 2 2 224.323 2.037 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925784237 635300159 /nfs/dbraw/zinc/30/01/59/635300159.db2.gz QSODBFIRCJVNLY-YIKOMLBNSA-N 2 2 230.355 2.117 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792332 637384041 /nfs/dbraw/zinc/38/40/41/637384041.db2.gz UMVBRFOQMYSBBM-REWJHTLYSA-N 2 2 220.360 2.025 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924792332 637384045 /nfs/dbraw/zinc/38/40/45/637384045.db2.gz UMVBRFOQMYSBBM-REWJHTLYSA-N 2 2 220.360 2.025 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000904429082 637398141 /nfs/dbraw/zinc/39/81/41/637398141.db2.gz WIKBCBNBLBKIMY-KGLIPLIRSA-N 2 2 247.386 2.422 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1C ZINC000904461784 637406461 /nfs/dbraw/zinc/40/64/61/637406461.db2.gz FACFCKXMLVCLBS-CQSZACIVSA-N 2 2 232.371 2.391 20 0 BEADLP CC(C)(C)c1ncc(C[NH2+]CC2([NH3+])CC2)s1 ZINC000904449188 637415071 /nfs/dbraw/zinc/41/50/71/637415071.db2.gz FYFYBOMOCNGWIO-UHFFFAOYSA-N 2 2 239.388 2.022 20 0 BEADLP CCCC[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000906537714 638204189 /nfs/dbraw/zinc/20/41/89/638204189.db2.gz JDEFMEHCIDHQRI-AWEZNQCLSA-N 2 2 235.375 2.464 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC=C(Cl)Cl)C[C@@H]2C1 ZINC000931441121 640207871 /nfs/dbraw/zinc/20/78/71/640207871.db2.gz CLENDGOOGXCLPV-ZJUUUORDSA-N 2 2 249.185 2.189 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](CC=C(Cl)Cl)C[C@@H]2C1 ZINC000931441121 640207879 /nfs/dbraw/zinc/20/78/79/640207879.db2.gz CLENDGOOGXCLPV-ZJUUUORDSA-N 2 2 249.185 2.189 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](CC=C(Cl)Cl)C[C@@H]2C1 ZINC000931441121 640207884 /nfs/dbraw/zinc/20/78/84/640207884.db2.gz CLENDGOOGXCLPV-ZJUUUORDSA-N 2 2 249.185 2.189 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC=C(Cl)Cl)C[C@@H]2C1 ZINC000931441121 640207889 /nfs/dbraw/zinc/20/78/89/640207889.db2.gz CLENDGOOGXCLPV-ZJUUUORDSA-N 2 2 249.185 2.189 20 0 BEADLP CC/C=C/CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517578 640241314 /nfs/dbraw/zinc/24/13/14/640241314.db2.gz CJVHWWIJYDDGQU-ONEGZZNKSA-N 2 2 231.343 2.378 20 0 BEADLP CC/C=C/CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517578 640241317 /nfs/dbraw/zinc/24/13/17/640241317.db2.gz CJVHWWIJYDDGQU-ONEGZZNKSA-N 2 2 231.343 2.378 20 0 BEADLP C=C/C=C/CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517188 640248081 /nfs/dbraw/zinc/24/80/81/640248081.db2.gz UYPOOVYPWHEMCS-ONEGZZNKSA-N 2 2 229.327 2.154 20 0 BEADLP C=C/C=C/CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517188 640248087 /nfs/dbraw/zinc/24/80/87/640248087.db2.gz UYPOOVYPWHEMCS-ONEGZZNKSA-N 2 2 229.327 2.154 20 0 BEADLP Nc1cc[nH+]c2c1C[N@H+](CCCCCF)CC2 ZINC000931519504 640249267 /nfs/dbraw/zinc/24/92/67/640249267.db2.gz WPAHBLGXEGMKKH-UHFFFAOYSA-N 2 2 237.322 2.162 20 0 BEADLP Nc1cc[nH+]c2c1C[N@@H+](CCCCCF)CC2 ZINC000931519504 640249270 /nfs/dbraw/zinc/24/92/70/640249270.db2.gz WPAHBLGXEGMKKH-UHFFFAOYSA-N 2 2 237.322 2.162 20 0 BEADLP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@]23CCCO3)c(C)[nH+]1 ZINC000931703866 640328373 /nfs/dbraw/zinc/32/83/73/640328373.db2.gz ZQXGTNCKXLRADJ-KGLIPLIRSA-N 2 2 249.358 2.218 20 0 BEADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933737626 640757590 /nfs/dbraw/zinc/75/75/90/640757590.db2.gz SMOMZZRDOHLJRB-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933737626 640757597 /nfs/dbraw/zinc/75/75/97/640757597.db2.gz SMOMZZRDOHLJRB-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933737626 640757602 /nfs/dbraw/zinc/75/76/02/640757602.db2.gz SMOMZZRDOHLJRB-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@]2(C)C1 ZINC000933737626 640757610 /nfs/dbraw/zinc/75/76/10/640757610.db2.gz SMOMZZRDOHLJRB-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[C@H](C[NH2+]Cc1ccc(F)cc1)Cn1cc[nH+]c1 ZINC000062254626 641029866 /nfs/dbraw/zinc/02/98/66/641029866.db2.gz ZVEZBCAHCIEXPQ-GFCCVEGCSA-N 2 2 247.317 2.448 20 0 BEADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000075760916 641241965 /nfs/dbraw/zinc/24/19/65/641241965.db2.gz PYOXZESQOKLJKR-UHFFFAOYSA-N 2 2 247.386 2.292 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000382246389 711505298 /nfs/dbraw/zinc/50/52/98/711505298.db2.gz JXRHLXJDAGWXCU-RUXDESIVSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000382246389 711505300 /nfs/dbraw/zinc/50/53/00/711505300.db2.gz JXRHLXJDAGWXCU-RUXDESIVSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000040767380 641534614 /nfs/dbraw/zinc/53/46/14/641534614.db2.gz WQEXOAFNWBPDSM-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1cc(NCCC[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000891417311 642499833 /nfs/dbraw/zinc/49/98/33/642499833.db2.gz RXNSDPVXZPVRGV-UHFFFAOYSA-N 2 2 248.374 2.416 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733392 643067084 /nfs/dbraw/zinc/06/70/84/643067084.db2.gz HHIRPWHVXKIPMW-QWRGUYRKSA-N 2 2 239.388 2.183 20 0 BEADLP CC[N@H+](Cc1cc(C)cc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312366 643121913 /nfs/dbraw/zinc/12/19/13/643121913.db2.gz RVPQISXVKMRNRU-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1cc(C)cc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071312366 643121916 /nfs/dbraw/zinc/12/19/16/643121916.db2.gz RVPQISXVKMRNRU-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccoc2)CC[N@@H+]1C ZINC000093644819 643339100 /nfs/dbraw/zinc/33/91/00/643339100.db2.gz HPWGCJQESPUINC-DGCLKSJQSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccoc2)CC[N@H+]1C ZINC000093644819 643339107 /nfs/dbraw/zinc/33/91/07/643339107.db2.gz HPWGCJQESPUINC-DGCLKSJQSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644819 643339114 /nfs/dbraw/zinc/33/91/14/643339114.db2.gz HPWGCJQESPUINC-DGCLKSJQSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644819 643339119 /nfs/dbraw/zinc/33/91/19/643339119.db2.gz HPWGCJQESPUINC-DGCLKSJQSA-N 2 2 222.332 2.194 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733391 643390335 /nfs/dbraw/zinc/39/03/35/643390335.db2.gz HHIRPWHVXKIPMW-GHMZBOCLSA-N 2 2 239.388 2.183 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000050245554 643661789 /nfs/dbraw/zinc/66/17/89/643661789.db2.gz VDLIBDULDBQCHD-JTQLQIEISA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000050245554 643661793 /nfs/dbraw/zinc/66/17/93/643661793.db2.gz VDLIBDULDBQCHD-JTQLQIEISA-N 2 2 242.725 2.260 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000922127361 643867786 /nfs/dbraw/zinc/86/77/86/643867786.db2.gz DOKWTBQZRGXABM-SRVKXCTJSA-N 2 2 230.421 2.200 20 0 BEADLP c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923324182 644351168 /nfs/dbraw/zinc/35/11/68/644351168.db2.gz DDKGXJFFUDZKKU-AWEZNQCLSA-N 2 2 248.374 2.079 20 0 BEADLP c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923324182 644351177 /nfs/dbraw/zinc/35/11/77/644351177.db2.gz DDKGXJFFUDZKKU-AWEZNQCLSA-N 2 2 248.374 2.079 20 0 BEADLP FC1(F)CC[C@@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923454697 644444238 /nfs/dbraw/zinc/44/42/38/644444238.db2.gz LTHZOKWXZSPFNL-GRYCIOLGSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CC[C@@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000923454697 644444241 /nfs/dbraw/zinc/44/42/41/644444241.db2.gz LTHZOKWXZSPFNL-GRYCIOLGSA-N 2 2 244.329 2.106 20 0 BEADLP CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532945 644490907 /nfs/dbraw/zinc/49/09/07/644490907.db2.gz APVVXFYCGWIXRX-CQSZACIVSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923532945 644490909 /nfs/dbraw/zinc/49/09/09/644490909.db2.gz APVVXFYCGWIXRX-CQSZACIVSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccnc2ccccc12 ZINC000092365273 644655309 /nfs/dbraw/zinc/65/53/09/644655309.db2.gz ISRJLVMDVIIGAE-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000092365273 644655313 /nfs/dbraw/zinc/65/53/13/644655313.db2.gz ISRJLVMDVIIGAE-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000252711505 644886039 /nfs/dbraw/zinc/88/60/39/644886039.db2.gz JSKUZMRSHNHLMC-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000252711505 644886044 /nfs/dbraw/zinc/88/60/44/644886044.db2.gz JSKUZMRSHNHLMC-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@H]12 ZINC000926615626 645316462 /nfs/dbraw/zinc/31/64/62/645316462.db2.gz DFNKVEXETSCZMG-AIEDFZFUSA-N 2 2 234.387 2.391 20 0 BEADLP C1[C@@H]2C[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C[C@H]12 ZINC000926615626 645316469 /nfs/dbraw/zinc/31/64/69/645316469.db2.gz DFNKVEXETSCZMG-AIEDFZFUSA-N 2 2 234.387 2.391 20 0 BEADLP C/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926764230 645410315 /nfs/dbraw/zinc/41/03/15/645410315.db2.gz CIPXRLVCRTXPGW-LLGAQUFESA-N 2 2 208.349 2.169 20 0 BEADLP C/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926764230 645410324 /nfs/dbraw/zinc/41/03/24/645410324.db2.gz CIPXRLVCRTXPGW-LLGAQUFESA-N 2 2 208.349 2.169 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926951950 645499706 /nfs/dbraw/zinc/49/97/06/645499706.db2.gz HLRCAXZNJPRGEA-DOMZBBRYSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CC=CC1 ZINC000926951950 645499709 /nfs/dbraw/zinc/49/97/09/645499709.db2.gz HLRCAXZNJPRGEA-DOMZBBRYSA-N 2 2 234.387 2.415 20 0 BEADLP CCOCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925489527 645532212 /nfs/dbraw/zinc/53/22/12/645532212.db2.gz PXJREHQHFOWPQF-OCCSQVGLSA-N 2 2 236.359 2.091 20 0 BEADLP CCOCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924523934 646046902 /nfs/dbraw/zinc/04/69/02/646046902.db2.gz CZKZOSPZGDBHHA-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CCOCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924523934 646046904 /nfs/dbraw/zinc/04/69/04/646046904.db2.gz CZKZOSPZGDBHHA-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(O)cc(F)c1 ZINC000924537871 646058375 /nfs/dbraw/zinc/05/83/75/646058375.db2.gz BWEIGZZSRXLXEV-JTQLQIEISA-N 2 2 240.322 2.134 20 0 BEADLP CC[C@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000924540424 646059404 /nfs/dbraw/zinc/05/94/04/646059404.db2.gz IFVJIZNLDBDZGD-TZMCWYRMSA-N 2 2 244.423 2.246 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000924902664 646127983 /nfs/dbraw/zinc/12/79/83/646127983.db2.gz BBRCYCRPQWUABF-RYUDHWBXSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000924903061 646127684 /nfs/dbraw/zinc/12/76/84/646127684.db2.gz FLRLWNXMAIJULH-UONOGXRCSA-N 2 2 244.423 2.246 20 0 BEADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC[N@H+](C)C(C)C ZINC000924903061 646127677 /nfs/dbraw/zinc/12/76/77/646127677.db2.gz FLRLWNXMAIJULH-UONOGXRCSA-N 2 2 244.423 2.246 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000924902664 646127975 /nfs/dbraw/zinc/12/79/75/646127975.db2.gz BBRCYCRPQWUABF-RYUDHWBXSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000929486938 646143247 /nfs/dbraw/zinc/14/32/47/646143247.db2.gz ICQHCBQJTNAVKZ-HNNXBMFYSA-N 2 2 247.386 2.224 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000924968464 646147570 /nfs/dbraw/zinc/14/75/70/646147570.db2.gz YMQYXVNMNNMOCF-OLZOCXBDSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000924968464 646147572 /nfs/dbraw/zinc/14/75/72/646147572.db2.gz YMQYXVNMNNMOCF-OLZOCXBDSA-N 2 2 247.386 2.085 20 0 BEADLP CSCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925092981 646182884 /nfs/dbraw/zinc/18/28/84/646182884.db2.gz FSVQIRQMZPJTJS-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CSCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925092981 646182891 /nfs/dbraw/zinc/18/28/91/646182891.db2.gz FSVQIRQMZPJTJS-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CSCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925092982 646183293 /nfs/dbraw/zinc/18/32/93/646183293.db2.gz FSVQIRQMZPJTJS-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CSCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925092982 646183296 /nfs/dbraw/zinc/18/32/96/646183296.db2.gz FSVQIRQMZPJTJS-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ncco1 ZINC000925173536 646199400 /nfs/dbraw/zinc/19/94/00/646199400.db2.gz YRYBGEQBBGKOBG-GHMZBOCLSA-N 2 2 246.314 2.099 20 0 BEADLP C1=CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000925268836 646225399 /nfs/dbraw/zinc/22/53/99/646225399.db2.gz BTQVKSWQNSMBGL-ZIAGYGMSSA-N 2 2 220.360 2.312 20 0 BEADLP C1=CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000925268836 646225403 /nfs/dbraw/zinc/22/54/03/646225403.db2.gz BTQVKSWQNSMBGL-ZIAGYGMSSA-N 2 2 220.360 2.312 20 0 BEADLP CSC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925504720 646306075 /nfs/dbraw/zinc/30/60/75/646306075.db2.gz OGTAGTBDLAMROI-DMDPSCGWSA-N 2 2 238.400 2.416 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000925535218 646322000 /nfs/dbraw/zinc/32/20/00/646322000.db2.gz DEQJELRFFYHXDL-NWANDNLSSA-N 2 2 248.370 2.234 20 0 BEADLP CO[C@H](C)CC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925565429 646337800 /nfs/dbraw/zinc/33/78/00/646337800.db2.gz RBELTDUJQACHDT-BZPMIXESSA-N 2 2 236.359 2.090 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925579946 646344840 /nfs/dbraw/zinc/34/48/40/646344840.db2.gz OTSUCSSSBJJBPL-CQSZACIVSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)Oc1ccccc1 ZINC000925603205 646354854 /nfs/dbraw/zinc/35/48/54/646354854.db2.gz JPIHNIRAMNFGAO-GXTWGEPZSA-N 2 2 248.370 2.184 20 0 BEADLP CCC1(C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])COC1 ZINC000925684512 646410917 /nfs/dbraw/zinc/41/09/17/646410917.db2.gz AWTLTKVHXPATNB-OCCSQVGLSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1 ZINC000925727075 646451331 /nfs/dbraw/zinc/45/13/31/646451331.db2.gz XRWVTZCLVRKOPS-SQLGEJSKSA-N 2 2 248.370 2.230 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925780668 646477477 /nfs/dbraw/zinc/47/74/77/646477477.db2.gz UVQMNMVJZNIWTI-NXEZZACHSA-N 2 2 244.285 2.175 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1 ZINC000925784018 646481957 /nfs/dbraw/zinc/48/19/57/646481957.db2.gz FMIXYYAMIYPJGI-LERXQTSPSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925787436 646482813 /nfs/dbraw/zinc/48/28/13/646482813.db2.gz SEGCMVXHPGJXSH-FBIMIBRVSA-N 2 2 224.373 2.315 20 0 BEADLP CC(C)OCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926155409 646585886 /nfs/dbraw/zinc/58/58/86/646585886.db2.gz NPAVTXKRSQSMDV-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)OCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926155409 646585889 /nfs/dbraw/zinc/58/58/89/646585889.db2.gz NPAVTXKRSQSMDV-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)CC2 ZINC000926230307 646599841 /nfs/dbraw/zinc/59/98/41/646599841.db2.gz RZDJJAISYVKEHU-REWJHTLYSA-N 2 2 243.354 2.142 20 0 BEADLP FC1(F)CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926284169 646611811 /nfs/dbraw/zinc/61/18/11/646611811.db2.gz TXHSKZVHKBGRPK-NWDGAFQWSA-N 2 2 244.329 2.391 20 0 BEADLP FC1(F)CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926284169 646611813 /nfs/dbraw/zinc/61/18/13/646611813.db2.gz TXHSKZVHKBGRPK-NWDGAFQWSA-N 2 2 244.329 2.391 20 0 BEADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCC1(F)F ZINC000926428266 646636640 /nfs/dbraw/zinc/63/66/40/646636640.db2.gz JBJRCZNPKOGFLG-PSIUFMSWSA-N 2 2 244.329 2.104 20 0 BEADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCC1(F)F ZINC000926428266 646636642 /nfs/dbraw/zinc/63/66/42/646636642.db2.gz JBJRCZNPKOGFLG-PSIUFMSWSA-N 2 2 244.329 2.104 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000926448766 646639955 /nfs/dbraw/zinc/63/99/55/646639955.db2.gz BIHBKJONYQCUEH-FMCLSXCISA-N 2 2 243.354 2.211 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450624 646642466 /nfs/dbraw/zinc/64/24/66/646642466.db2.gz PMYBQZSFWZYOTN-DEKYYXRVSA-N 2 2 233.359 2.291 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000926476295 646653539 /nfs/dbraw/zinc/65/35/39/646653539.db2.gz ZIWGEVMNPCXRFQ-VHSXEESVSA-N 2 2 239.363 2.140 20 0 BEADLP C[C@H](F)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926484805 646655880 /nfs/dbraw/zinc/65/58/80/646655880.db2.gz FDDPLPSYSVKQHB-RWMBFGLXSA-N 2 2 228.355 2.341 20 0 BEADLP C[C@H](F)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926484805 646655883 /nfs/dbraw/zinc/65/58/83/646655883.db2.gz FDDPLPSYSVKQHB-RWMBFGLXSA-N 2 2 228.355 2.341 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754972 712217336 /nfs/dbraw/zinc/21/73/36/712217336.db2.gz MAXMEFIJSOIVCX-VIFPVBQESA-N 2 2 239.388 2.006 20 0 BEADLP CC[C@H](C)C[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709754972 712217340 /nfs/dbraw/zinc/21/73/40/712217340.db2.gz MAXMEFIJSOIVCX-VIFPVBQESA-N 2 2 239.388 2.006 20 0 BEADLP CC1(C)CC[C@@H](C[N@@H+]2CCCC[C@H]2C[NH3+])OC1 ZINC000711347331 712294958 /nfs/dbraw/zinc/29/49/58/712294958.db2.gz SQSFRCMAPSODOH-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP CC1(C)CC[C@@H](C[N@H+]2CCCC[C@H]2C[NH3+])OC1 ZINC000711347331 712294959 /nfs/dbraw/zinc/29/49/59/712294959.db2.gz SQSFRCMAPSODOH-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CC1 ZINC000037167115 712550259 /nfs/dbraw/zinc/55/02/59/712550259.db2.gz VIKSPJJNUFYVEG-YPMHNXCESA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718037260 712737699 /nfs/dbraw/zinc/73/76/99/712737699.db2.gz YDUUOWSHYZAQRA-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCC(C)(F)F ZINC000718573055 712775366 /nfs/dbraw/zinc/77/53/66/712775366.db2.gz TXDLDKOIQQTYAV-JTQLQIEISA-N 2 2 220.307 2.106 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCC(C)(F)F ZINC000718573055 712775367 /nfs/dbraw/zinc/77/53/67/712775367.db2.gz TXDLDKOIQQTYAV-JTQLQIEISA-N 2 2 220.307 2.106 20 0 BEADLP CC(F)(F)CCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000718656534 712776770 /nfs/dbraw/zinc/77/67/70/712776770.db2.gz HTTQQCJGVXFRAK-SECBINFHSA-N 2 2 220.307 2.091 20 0 BEADLP CC(F)(F)CCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000718656534 712776774 /nfs/dbraw/zinc/77/67/74/712776774.db2.gz HTTQQCJGVXFRAK-SECBINFHSA-N 2 2 220.307 2.091 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000718790383 712784062 /nfs/dbraw/zinc/78/40/62/712784062.db2.gz NRFXXUABDBONEW-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000718790383 712784065 /nfs/dbraw/zinc/78/40/65/712784065.db2.gz NRFXXUABDBONEW-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]CC[N@@H+](Cc1ccc(C)cc1)C(C)C ZINC000720739373 712862794 /nfs/dbraw/zinc/86/27/94/712862794.db2.gz MXMKPVVAGJUSBD-UHFFFAOYSA-N 2 2 220.360 2.425 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000386265544 711026250 /nfs/dbraw/zinc/02/62/50/711026250.db2.gz XDVLFQAIONVFSM-NWDGAFQWSA-N 2 2 239.388 2.147 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H]1C)[NH+](C)C ZINC000389439766 711079035 /nfs/dbraw/zinc/07/90/35/711079035.db2.gz GVAVKECLXPXCAV-XQQFMLRXSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cn1 ZINC000390518131 711122611 /nfs/dbraw/zinc/12/26/11/711122611.db2.gz FOIKMKGVPBVJPI-JTQLQIEISA-N 2 2 241.766 2.165 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cn1 ZINC000390518132 711122927 /nfs/dbraw/zinc/12/29/27/711122927.db2.gz FOIKMKGVPBVJPI-SNVBAGLBSA-N 2 2 241.766 2.165 20 0 BEADLP CC(C)CCCC[NH2+]CCn1cc[nH+]c1 ZINC000395292949 711207103 /nfs/dbraw/zinc/20/71/03/711207103.db2.gz GDIHFKUBYRNCPZ-UHFFFAOYSA-N 2 2 209.337 2.299 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000396630477 711361715 /nfs/dbraw/zinc/36/17/15/711361715.db2.gz XKVCVQHBJSXQJF-JSGCOSHPSA-N 2 2 240.391 2.066 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396583513 711357837 /nfs/dbraw/zinc/35/78/37/711357837.db2.gz QEFJEFWQOLOZHN-PWSUYJOCSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cc(NC2CCC([NH3+])CC2)c[nH+]c1C ZINC000380860635 710592189 /nfs/dbraw/zinc/59/21/89/710592189.db2.gz ZKTIYYSRJPLHCK-UHFFFAOYSA-N 2 2 219.332 2.380 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000381469145 710640904 /nfs/dbraw/zinc/64/09/04/710640904.db2.gz MAOIOLKNGIASSD-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000050249341 711493782 /nfs/dbraw/zinc/49/37/82/711493782.db2.gz QJOHEQDVRADLCT-SNVBAGLBSA-N 2 2 247.367 2.077 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000050249341 711493783 /nfs/dbraw/zinc/49/37/83/711493783.db2.gz QJOHEQDVRADLCT-SNVBAGLBSA-N 2 2 247.367 2.077 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000723879750 711542223 /nfs/dbraw/zinc/54/22/23/711542223.db2.gz RRFKEXAWSOFPAN-UHFFFAOYSA-N 2 2 247.386 2.272 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000723879750 711542224 /nfs/dbraw/zinc/54/22/24/711542224.db2.gz RRFKEXAWSOFPAN-UHFFFAOYSA-N 2 2 247.386 2.272 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000718860212 711665033 /nfs/dbraw/zinc/66/50/33/711665033.db2.gz ONNDBDCSAIXWIS-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP Cl/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255883408 711672114 /nfs/dbraw/zinc/67/21/14/711672114.db2.gz XSYNTHWWFYTHBB-FHMRSRPSSA-N 2 2 228.767 2.157 20 0 BEADLP Cl/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255883408 711672116 /nfs/dbraw/zinc/67/21/16/711672116.db2.gz XSYNTHWWFYTHBB-FHMRSRPSSA-N 2 2 228.767 2.157 20 0 BEADLP COCC1(C[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925711887 711711637 /nfs/dbraw/zinc/71/16/37/711711637.db2.gz FJEASUUXEVBOGM-OCCSQVGLSA-N 2 2 248.370 2.091 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028784 711755447 /nfs/dbraw/zinc/75/54/47/711755447.db2.gz WJMIWBFUNKEOOL-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC1(C)C[N@H+](CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000388040698 711836735 /nfs/dbraw/zinc/83/67/35/711836735.db2.gz FYDPFACJFDSGPN-AWEZNQCLSA-N 2 2 248.370 2.125 20 0 BEADLP CC1(C)C[N@@H+](CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000388040698 711836736 /nfs/dbraw/zinc/83/67/36/711836736.db2.gz FYDPFACJFDSGPN-AWEZNQCLSA-N 2 2 248.370 2.125 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148764 712286588 /nfs/dbraw/zinc/28/65/88/712286588.db2.gz XUOZZMATUHLRKL-DGAVXFQQSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148764 712286589 /nfs/dbraw/zinc/28/65/89/712286589.db2.gz XUOZZMATUHLRKL-DGAVXFQQSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CC[C@H](C[N@@H+]2CCCC[C@H]2C[NH3+])OC1 ZINC000711347330 712295075 /nfs/dbraw/zinc/29/50/75/712295075.db2.gz SQSFRCMAPSODOH-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(F)cc1 ZINC000712558183 712445841 /nfs/dbraw/zinc/44/58/41/712445841.db2.gz NAPDMOUYDGGINU-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(F)cc1 ZINC000712558183 712445843 /nfs/dbraw/zinc/44/58/43/712445843.db2.gz NAPDMOUYDGGINU-UHFFFAOYSA-N 2 2 236.334 2.400 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000713491456 712462462 /nfs/dbraw/zinc/46/24/62/712462462.db2.gz RJWKOVFKQDRERF-OEFFGFFESA-N 2 2 220.360 2.334 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000713491456 712462463 /nfs/dbraw/zinc/46/24/63/712462463.db2.gz RJWKOVFKQDRERF-OEFFGFFESA-N 2 2 220.360 2.334 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccns1 ZINC000715920762 712542586 /nfs/dbraw/zinc/54/25/86/712542586.db2.gz NYCJLJZFLFXNBK-ZJUUUORDSA-N 2 2 227.377 2.134 20 0 BEADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718037261 712737109 /nfs/dbraw/zinc/73/71/09/712737109.db2.gz YDUUOWSHYZAQRA-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C)co2)C1 ZINC000718037261 712737112 /nfs/dbraw/zinc/73/71/12/712737112.db2.gz YDUUOWSHYZAQRA-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1coc(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000718053829 712739406 /nfs/dbraw/zinc/73/94/06/712739406.db2.gz QVHZFPJFKQLYEH-UHFFFAOYSA-N 2 2 224.348 2.265 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000718130633 712747163 /nfs/dbraw/zinc/74/71/63/712747163.db2.gz ISQDVTRJCUBAIC-OLZOCXBDSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000718130633 712747164 /nfs/dbraw/zinc/74/71/64/712747164.db2.gz ISQDVTRJCUBAIC-OLZOCXBDSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Br)s1 ZINC000038003350 712798331 /nfs/dbraw/zinc/79/83/31/712798331.db2.gz DTNJYSIPXOYPMP-ZCFIWIBFSA-N 2 2 249.177 2.120 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028455 712799340 /nfs/dbraw/zinc/79/93/40/712799340.db2.gz TZXZXILTHBXYRE-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1C ZINC000719575794 712811677 /nfs/dbraw/zinc/81/16/77/712811677.db2.gz QNGKLEFJUUQIBT-WDEREUQCSA-N 2 2 244.342 2.078 20 0 BEADLP C[C@H]1[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1C ZINC000719575794 712811679 /nfs/dbraw/zinc/81/16/79/712811679.db2.gz QNGKLEFJUUQIBT-WDEREUQCSA-N 2 2 244.342 2.078 20 0 BEADLP C[C@@H]1[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1C ZINC000719575783 712812021 /nfs/dbraw/zinc/81/20/21/712812021.db2.gz QNGKLEFJUUQIBT-GHMZBOCLSA-N 2 2 244.342 2.078 20 0 BEADLP C[C@@H]1[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1C ZINC000719575783 712812022 /nfs/dbraw/zinc/81/20/22/712812022.db2.gz QNGKLEFJUUQIBT-GHMZBOCLSA-N 2 2 244.342 2.078 20 0 BEADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000720921177 712878434 /nfs/dbraw/zinc/87/84/34/712878434.db2.gz YTRAHBUTXXPQFN-TUAOUCFPSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000720921177 712878435 /nfs/dbraw/zinc/87/84/35/712878435.db2.gz YTRAHBUTXXPQFN-TUAOUCFPSA-N 2 2 244.329 2.248 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCC1 ZINC000380354069 712892943 /nfs/dbraw/zinc/89/29/43/712892943.db2.gz WHKOPDFPNJLOJR-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCC1 ZINC000380354069 712892944 /nfs/dbraw/zinc/89/29/44/712892944.db2.gz WHKOPDFPNJLOJR-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000721169297 712894272 /nfs/dbraw/zinc/89/42/72/712894272.db2.gz UDUWSXFOJBPRPT-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000721169962 712894906 /nfs/dbraw/zinc/89/49/06/712894906.db2.gz WEBZBGOAQOICLE-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000721169962 712894908 /nfs/dbraw/zinc/89/49/08/712894908.db2.gz WEBZBGOAQOICLE-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000069664041 1165903814 /nfs/dbraw/zinc/90/38/14/1165903814.db2.gz AICOBJHXUDUJJH-AAEUAGOBSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 ZINC000069664041 1165903816 /nfs/dbraw/zinc/90/38/16/1165903816.db2.gz AICOBJHXUDUJJH-AAEUAGOBSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000403352390 1166125914 /nfs/dbraw/zinc/12/59/14/1166125914.db2.gz WNUCIOZEFNGBFB-RKDXNWHRSA-N 2 2 237.174 2.365 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000403352390 1166125917 /nfs/dbraw/zinc/12/59/17/1166125917.db2.gz WNUCIOZEFNGBFB-RKDXNWHRSA-N 2 2 237.174 2.365 20 0 BEADLP CSCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000228876183 1166225219 /nfs/dbraw/zinc/22/52/19/1166225219.db2.gz NODIFDIKRNCOQJ-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000228876183 1166225223 /nfs/dbraw/zinc/22/52/23/1166225223.db2.gz NODIFDIKRNCOQJ-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000226131266 1166245112 /nfs/dbraw/zinc/24/51/12/1166245112.db2.gz AICOBJHXUDUJJH-YPMHNXCESA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000226131266 1166245116 /nfs/dbraw/zinc/24/51/16/1166245116.db2.gz AICOBJHXUDUJJH-YPMHNXCESA-N 2 2 210.365 2.247 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)C1CC(F)(F)C1 ZINC001207276425 1166260662 /nfs/dbraw/zinc/26/06/62/1166260662.db2.gz WUVNJLJSTXJZHF-UHFFFAOYSA-N 2 2 234.334 2.304 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)C1CC(F)(F)C1 ZINC001207276425 1166260670 /nfs/dbraw/zinc/26/06/70/1166260670.db2.gz WUVNJLJSTXJZHF-UHFFFAOYSA-N 2 2 234.334 2.304 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC000227678422 1166265598 /nfs/dbraw/zinc/26/55/98/1166265598.db2.gz QDQWYGRHTLSRDY-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC000227678422 1166265606 /nfs/dbraw/zinc/26/56/06/1166265606.db2.gz QDQWYGRHTLSRDY-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP Cc1ccc(Nc2cc[nH+]c(N)c2)c(C)[nH+]1 ZINC000227686236 1166275078 /nfs/dbraw/zinc/27/50/78/1166275078.db2.gz KJMDCLCTVGRATA-UHFFFAOYSA-N 2 2 214.272 2.419 20 0 BEADLP CC[N@H+](C[C@@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209420353 969486865 /nfs/dbraw/zinc/48/68/65/969486865.db2.gz HZEPLFAFZFLKPQ-RYUDHWBXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@@H+](C[C@@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209420353 969486879 /nfs/dbraw/zinc/48/68/79/969486879.db2.gz HZEPLFAFZFLKPQ-RYUDHWBXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)[nH]1 ZINC001209575646 969562777 /nfs/dbraw/zinc/56/27/77/969562777.db2.gz KMJCCDSTHSPZAU-UHFFFAOYSA-N 2 2 223.364 2.097 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)[nH]1 ZINC001209575646 969562782 /nfs/dbraw/zinc/56/27/82/969562782.db2.gz KMJCCDSTHSPZAU-UHFFFAOYSA-N 2 2 223.364 2.097 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)[C@H]1C ZINC001209733852 969592533 /nfs/dbraw/zinc/59/25/33/969592533.db2.gz IGCGGOLNBYCGJV-QWRGUYRKSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)[C@H]1C ZINC001209733852 969592540 /nfs/dbraw/zinc/59/25/40/969592540.db2.gz IGCGGOLNBYCGJV-QWRGUYRKSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209731569 969596182 /nfs/dbraw/zinc/59/61/82/969596182.db2.gz TXXHAGQTRZYAIT-GHMZBOCLSA-N 2 2 219.332 2.115 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@H](C)C1 ZINC001209731569 969596190 /nfs/dbraw/zinc/59/61/90/969596190.db2.gz TXXHAGQTRZYAIT-GHMZBOCLSA-N 2 2 219.332 2.115 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(=O)C(C)(C)C ZINC001255943429 970577488 /nfs/dbraw/zinc/57/74/88/970577488.db2.gz MSGIBKHKRGVCJG-GFCCVEGCSA-N 2 2 242.407 2.312 20 0 BEADLP CCC[N@H+](CC)C1CC[NH+](C2CC2)CC1 ZINC001256073561 970639600 /nfs/dbraw/zinc/63/96/00/970639600.db2.gz WAONHNRKUDHQDN-UHFFFAOYSA-N 2 2 210.365 2.345 20 0 BEADLP CCC[N@@H+](CC)C1CC[NH+](C2CC2)CC1 ZINC001256073561 970639605 /nfs/dbraw/zinc/63/96/05/970639605.db2.gz WAONHNRKUDHQDN-UHFFFAOYSA-N 2 2 210.365 2.345 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000228775756 1166895632 /nfs/dbraw/zinc/89/56/32/1166895632.db2.gz UYDJGTVNWOXLHQ-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP CCCC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309234427 1167269408 /nfs/dbraw/zinc/26/94/08/1167269408.db2.gz USPOLOCGAYRPNX-NSHDSACASA-N 2 2 234.334 2.481 20 0 BEADLP CC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000251941194 1167464319 /nfs/dbraw/zinc/46/43/19/1167464319.db2.gz SMXYWULJWIGYEQ-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000251941194 1167464324 /nfs/dbraw/zinc/46/43/24/1167464324.db2.gz SMXYWULJWIGYEQ-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP C[C@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386029316 1167497501 /nfs/dbraw/zinc/49/75/01/1167497501.db2.gz QJUVXGRHEOCSHH-PYIQSQQJSA-N 2 2 208.349 2.073 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](CCCC1CCCCC1)C2 ZINC001235146932 978982618 /nfs/dbraw/zinc/98/26/18/978982618.db2.gz OLZIMYPFSAGSFJ-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](CCCC1CCCCC1)C2 ZINC001235146932 978982626 /nfs/dbraw/zinc/98/26/26/978982626.db2.gz OLZIMYPFSAGSFJ-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cs1 ZINC001236865733 979772430 /nfs/dbraw/zinc/77/24/30/979772430.db2.gz NHNYGFNRDGBADZ-JTQLQIEISA-N 2 2 212.362 2.226 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cs1 ZINC001236865733 979772445 /nfs/dbraw/zinc/77/24/45/979772445.db2.gz NHNYGFNRDGBADZ-JTQLQIEISA-N 2 2 212.362 2.226 20 0 BEADLP C[NH+](C)C1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237183699 979831882 /nfs/dbraw/zinc/83/18/82/979831882.db2.gz UGLRSOKCFVXZQA-UHFFFAOYSA-N 2 2 240.372 2.094 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@@H+]1CC[C@](C)([NH3+])C1 ZINC000405848940 1168472753 /nfs/dbraw/zinc/47/27/53/1168472753.db2.gz WNBOKJSNWYEFIM-DOMZBBRYSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1C[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405848940 1168472759 /nfs/dbraw/zinc/47/27/59/1168472759.db2.gz WNBOKJSNWYEFIM-DOMZBBRYSA-N 2 2 248.370 2.049 20 0 BEADLP C[C@H](CC1CC1)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931131 1168543587 /nfs/dbraw/zinc/54/35/87/1168543587.db2.gz CCYFVBBULYPYHJ-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC1CC1)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931131 1168543598 /nfs/dbraw/zinc/54/35/98/1168543598.db2.gz CCYFVBBULYPYHJ-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC1CC1)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086931131 1168543607 /nfs/dbraw/zinc/54/36/07/1168543607.db2.gz CCYFVBBULYPYHJ-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC1CC1)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000086931131 1168543620 /nfs/dbraw/zinc/54/36/20/1168543620.db2.gz CCYFVBBULYPYHJ-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H]([NH3+])c1cccc(-c2c[nH+]cn2C)c1 ZINC000258015049 1168613029 /nfs/dbraw/zinc/61/30/29/1168613029.db2.gz HNRZDARFSNIJAU-SECBINFHSA-N 2 2 201.273 2.107 20 0 BEADLP C[C@H](CC(F)(F)F)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246559205 1168649465 /nfs/dbraw/zinc/64/94/65/1168649465.db2.gz RQMUZGJNTCWJPX-OPRDCNLKSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@H](CC(F)(F)F)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246559205 1168649468 /nfs/dbraw/zinc/64/94/68/1168649468.db2.gz RQMUZGJNTCWJPX-OPRDCNLKSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246559208 1168649149 /nfs/dbraw/zinc/64/91/49/1168649149.db2.gz RQMUZGJNTCWJPX-UTLUCORTSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246559208 1168649155 /nfs/dbraw/zinc/64/91/55/1168649155.db2.gz RQMUZGJNTCWJPX-UTLUCORTSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cccs2)C1 ZINC001205804100 982557667 /nfs/dbraw/zinc/55/76/67/982557667.db2.gz LSXWKFSGZPTEAY-GHMZBOCLSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cccs2)C1 ZINC001205804100 982557674 /nfs/dbraw/zinc/55/76/74/982557674.db2.gz LSXWKFSGZPTEAY-GHMZBOCLSA-N 2 2 224.373 2.307 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC001172432301 974716196 /nfs/dbraw/zinc/71/61/96/974716196.db2.gz XVGAVGRUPKWVMZ-ZDUSSCGKSA-N 2 2 239.363 2.066 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172398732 974758056 /nfs/dbraw/zinc/75/80/56/974758056.db2.gz VOEJYCILSHYYSF-KGLIPLIRSA-N 2 2 242.407 2.074 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001172398732 974758060 /nfs/dbraw/zinc/75/80/60/974758060.db2.gz VOEJYCILSHYYSF-KGLIPLIRSA-N 2 2 242.407 2.074 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172398734 974759586 /nfs/dbraw/zinc/75/95/86/974759586.db2.gz VOEJYCILSHYYSF-ZIAGYGMSSA-N 2 2 242.407 2.074 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC001172398734 974759591 /nfs/dbraw/zinc/75/95/91/974759591.db2.gz VOEJYCILSHYYSF-ZIAGYGMSSA-N 2 2 242.407 2.074 20 0 BEADLP Cc1c[nH]c(C[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC001140857331 1169376922 /nfs/dbraw/zinc/37/69/22/1169376922.db2.gz VJELHDFYHHTOMK-UHFFFAOYSA-N 2 2 235.375 2.158 20 0 BEADLP Cc1c[nH]c(C[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC001140857331 1169376927 /nfs/dbraw/zinc/37/69/27/1169376927.db2.gz VJELHDFYHHTOMK-UHFFFAOYSA-N 2 2 235.375 2.158 20 0 BEADLP CCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246919080 973482924 /nfs/dbraw/zinc/48/29/24/973482924.db2.gz MHEMWKRADBBHMH-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246919080 973482931 /nfs/dbraw/zinc/48/29/31/973482931.db2.gz MHEMWKRADBBHMH-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1c(F)cc[nH+]c1N1C[C@@H](C[NH3+])CC[C@H]1C ZINC001164467644 1169456024 /nfs/dbraw/zinc/45/60/24/1169456024.db2.gz KTYBKNIRGSKSLQ-MWLCHTKSSA-N 2 2 237.322 2.093 20 0 BEADLP Cc1ccc2c(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c[nH]c2c1 ZINC001206053356 970819683 /nfs/dbraw/zinc/81/96/83/970819683.db2.gz SQINBJYOZDUCAB-BXUZGUMPSA-N 2 2 243.354 2.255 20 0 BEADLP Cc1ccc2c(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c[nH]c2c1 ZINC001206053356 970819690 /nfs/dbraw/zinc/81/96/90/970819690.db2.gz SQINBJYOZDUCAB-BXUZGUMPSA-N 2 2 243.354 2.255 20 0 BEADLP Cc1cc(NCCCn2cc[nH+]c2)cc(C)[nH+]1 ZINC000306075763 970839237 /nfs/dbraw/zinc/83/92/37/970839237.db2.gz ZCTVVDFHBIREAJ-UHFFFAOYSA-N 2 2 230.315 2.397 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001256718837 970935939 /nfs/dbraw/zinc/93/59/39/970935939.db2.gz LQXNKTVBENONKX-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001256718837 970935947 /nfs/dbraw/zinc/93/59/47/970935947.db2.gz LQXNKTVBENONKX-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000403679388 971011600 /nfs/dbraw/zinc/01/16/00/971011600.db2.gz WEVQATLSUARNKW-DTWKUNHWSA-N 2 2 237.174 2.222 20 0 BEADLP C[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000403679388 971011607 /nfs/dbraw/zinc/01/16/07/971011607.db2.gz WEVQATLSUARNKW-DTWKUNHWSA-N 2 2 237.174 2.222 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)C1 ZINC001257084665 971097771 /nfs/dbraw/zinc/09/77/71/971097771.db2.gz VWJZNAXREOIMIY-AVGNSLFASA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)C1 ZINC001257084665 971097783 /nfs/dbraw/zinc/09/77/83/971097783.db2.gz VWJZNAXREOIMIY-AVGNSLFASA-N 2 2 240.391 2.015 20 0 BEADLP CCC(CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257296609 971183824 /nfs/dbraw/zinc/18/38/24/971183824.db2.gz NOWBISNAJBJKCL-UHFFFAOYSA-N 2 2 221.348 2.241 20 0 BEADLP CCC(CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001257294680 971181701 /nfs/dbraw/zinc/18/17/01/971181701.db2.gz XAAVWQYFBYRQNP-UHFFFAOYSA-N 2 2 208.305 2.239 20 0 BEADLP Cc1[nH+]cn(C2CCCC2)c1CSCC[NH3+] ZINC001257344699 971254555 /nfs/dbraw/zinc/25/45/55/971254555.db2.gz KUXHSHAPPOTQEH-UHFFFAOYSA-N 2 2 239.388 2.499 20 0 BEADLP C1CC([N@@H+]2CC[C@H]([NH2+]C3CCCC3)C2)C1 ZINC001257345805 971259688 /nfs/dbraw/zinc/25/96/88/971259688.db2.gz ONCSDSOQXKQZKS-LBPRGKRZSA-N 2 2 208.349 2.145 20 0 BEADLP C1CC([N@H+]2CC[C@H]([NH2+]C3CCCC3)C2)C1 ZINC001257345805 971259695 /nfs/dbraw/zinc/25/96/95/971259695.db2.gz ONCSDSOQXKQZKS-LBPRGKRZSA-N 2 2 208.349 2.145 20 0 BEADLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257432496 971339842 /nfs/dbraw/zinc/33/98/42/971339842.db2.gz YYOZYZSUVRZNIO-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257432496 971339851 /nfs/dbraw/zinc/33/98/51/971339851.db2.gz YYOZYZSUVRZNIO-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH+]1CCC([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001258013924 971557029 /nfs/dbraw/zinc/55/70/29/971557029.db2.gz ZJNBSMNTSPDCSD-GFCCVEGCSA-N 2 2 228.355 2.151 20 0 BEADLP CC(C)C[NH+]1CCC([N@H+]2CC[C@@H](F)C2)CC1 ZINC001258013924 971557037 /nfs/dbraw/zinc/55/70/37/971557037.db2.gz ZJNBSMNTSPDCSD-GFCCVEGCSA-N 2 2 228.355 2.151 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170713472 971623358 /nfs/dbraw/zinc/62/33/58/971623358.db2.gz OKHQRGVMKXHYCW-XDQVBPFNSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170713472 971623361 /nfs/dbraw/zinc/62/33/61/971623361.db2.gz OKHQRGVMKXHYCW-XDQVBPFNSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1[nH+]cn([C@H]2C[C@@H]3[C@H](C2)C3(C)C)c1CC[NH3+] ZINC001170715040 971632745 /nfs/dbraw/zinc/63/27/45/971632745.db2.gz DTTRIISHQQBBLT-ZSBIGDGJSA-N 2 2 233.359 2.300 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721870 971651137 /nfs/dbraw/zinc/65/11/37/971651137.db2.gz ZVILKIMXAKEYAD-FQUUOJAGSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721870 971651144 /nfs/dbraw/zinc/65/11/44/971651144.db2.gz ZVILKIMXAKEYAD-FQUUOJAGSA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001172317750 974523962 /nfs/dbraw/zinc/52/39/62/974523962.db2.gz UDGLVUFWAQXCOS-OLZOCXBDSA-N 2 2 239.363 2.066 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC001172322856 974533173 /nfs/dbraw/zinc/53/31/73/974533173.db2.gz ZCQVBXCFKATITO-AVGNSLFASA-N 2 2 230.396 2.120 20 0 BEADLP COc1ccc2cc(NCC[C@@H](C)[NH3+])[nH+]cc2c1 ZINC001170889858 972040028 /nfs/dbraw/zinc/04/00/28/972040028.db2.gz WIJMVAKDNYHERX-SNVBAGLBSA-N 2 2 245.326 2.393 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246115903 972183083 /nfs/dbraw/zinc/18/30/83/972183083.db2.gz SZJMREKMUFLTPA-UTLUCORTSA-N 2 2 238.297 2.305 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(F)cn1 ZINC001246198013 972214886 /nfs/dbraw/zinc/21/48/86/972214886.db2.gz RXWAGRWTMCZMPV-NHCYSSNCSA-N 2 2 237.322 2.012 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC000705567609 957341889 /nfs/dbraw/zinc/34/18/89/957341889.db2.gz ACMVZIBJHLSJIZ-AWEZNQCLSA-N 2 2 247.317 2.230 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC000705567609 957341902 /nfs/dbraw/zinc/34/19/02/957341902.db2.gz ACMVZIBJHLSJIZ-AWEZNQCLSA-N 2 2 247.317 2.230 20 0 BEADLP Nc1cn[nH+]cc1Nc1ccc2c[nH+]ccc2c1 ZINC001210046735 957626555 /nfs/dbraw/zinc/62/65/55/957626555.db2.gz PJDDPRYKQPRNQM-UHFFFAOYSA-N 2 2 237.266 2.351 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)C[NH2+]1 ZINC000399133937 958534622 /nfs/dbraw/zinc/53/46/22/958534622.db2.gz PIRZHRNBMZNOKF-UQOMUDLDSA-N 2 2 230.355 2.273 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cs1 ZINC001222236769 972414902 /nfs/dbraw/zinc/41/49/02/972414902.db2.gz AVQQBTVRBAXHEO-CYBMUJFWSA-N 2 2 236.384 2.466 20 0 BEADLP c1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cs1 ZINC001222236769 972414913 /nfs/dbraw/zinc/41/49/13/972414913.db2.gz AVQQBTVRBAXHEO-CYBMUJFWSA-N 2 2 236.384 2.466 20 0 BEADLP Oc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237958 972420858 /nfs/dbraw/zinc/42/08/58/972420858.db2.gz XWFJFQAJKHZJLW-HNNXBMFYSA-N 2 2 246.354 2.110 20 0 BEADLP Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237958 972420862 /nfs/dbraw/zinc/42/08/62/972420862.db2.gz XWFJFQAJKHZJLW-HNNXBMFYSA-N 2 2 246.354 2.110 20 0 BEADLP Cc1[nH+]ccn1CCNc1cc(C)cc[nH+]1 ZINC000309195348 959737112 /nfs/dbraw/zinc/73/71/12/959737112.db2.gz JWBBPJJGZPKFDG-UHFFFAOYSA-N 2 2 216.288 2.007 20 0 BEADLP Cc1nc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cs1 ZINC000309339608 959862390 /nfs/dbraw/zinc/86/23/90/959862390.db2.gz KJXIKPRQQAHTPS-LLVKDONJSA-N 2 2 239.388 2.012 20 0 BEADLP Cc1nc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cs1 ZINC000309339608 959862393 /nfs/dbraw/zinc/86/23/93/959862393.db2.gz KJXIKPRQQAHTPS-LLVKDONJSA-N 2 2 239.388 2.012 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000692622677 960340998 /nfs/dbraw/zinc/34/09/98/960340998.db2.gz MNRGCPRRQOZZMC-URGYJCLVSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000692622677 960341003 /nfs/dbraw/zinc/34/10/03/960341003.db2.gz MNRGCPRRQOZZMC-URGYJCLVSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000709280339 960468212 /nfs/dbraw/zinc/46/82/12/960468212.db2.gz FBRVLRDNKNPCJE-MIMYLULJSA-N 2 2 239.388 2.243 20 0 BEADLP F[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]2C[C@@H]21 ZINC001140801066 960592069 /nfs/dbraw/zinc/59/20/69/960592069.db2.gz GJCAHZYCPCNXHG-XHVZSJERSA-N 2 2 245.301 2.353 20 0 BEADLP F[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]2C[C@@H]21 ZINC001140801066 960592082 /nfs/dbraw/zinc/59/20/82/960592082.db2.gz GJCAHZYCPCNXHG-XHVZSJERSA-N 2 2 245.301 2.353 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1[nH]cc(C)c1C ZINC001140864467 960647232 /nfs/dbraw/zinc/64/72/32/960647232.db2.gz SXJDCDJUCHZLEU-UHFFFAOYSA-N 2 2 246.358 2.350 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1[nH]cc(C)c1C ZINC001140864467 960647236 /nfs/dbraw/zinc/64/72/36/960647236.db2.gz SXJDCDJUCHZLEU-UHFFFAOYSA-N 2 2 246.358 2.350 20 0 BEADLP CO[C@H](C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924908952 962294377 /nfs/dbraw/zinc/29/43/77/962294377.db2.gz JMXZSZPIDZXBNO-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H](C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924908952 962294400 /nfs/dbraw/zinc/29/44/00/962294400.db2.gz JMXZSZPIDZXBNO-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ns1 ZINC001206647987 962595763 /nfs/dbraw/zinc/59/57/63/962595763.db2.gz KPSOQJNGJMPNBK-LLVKDONJSA-N 2 2 239.388 2.012 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ns1 ZINC001206647987 962595781 /nfs/dbraw/zinc/59/57/81/962595781.db2.gz KPSOQJNGJMPNBK-LLVKDONJSA-N 2 2 239.388 2.012 20 0 BEADLP c1cn(C2CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)c[nH+]1 ZINC001167954093 962756987 /nfs/dbraw/zinc/75/69/87/962756987.db2.gz ZGVRYZBDEDXLLK-DABQJJPHSA-N 2 2 231.343 2.319 20 0 BEADLP Cc1c(F)cc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154987909 962935002 /nfs/dbraw/zinc/93/50/02/962935002.db2.gz YUDWURUCXCZYBN-NXEZZACHSA-N 2 2 223.295 2.211 20 0 BEADLP CC[C@@H](C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168003422 963242413 /nfs/dbraw/zinc/24/24/13/963242413.db2.gz MMXNXYDUCBFDDU-TZMCWYRMSA-N 2 2 247.386 2.430 20 0 BEADLP CC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168003422 963242427 /nfs/dbraw/zinc/24/24/27/963242427.db2.gz MMXNXYDUCBFDDU-TZMCWYRMSA-N 2 2 247.386 2.430 20 0 BEADLP CCCC[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001206660811 963388623 /nfs/dbraw/zinc/38/86/23/963388623.db2.gz JMOVQRKEEGRVSS-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP Nc1cc(CNc2ccc3c([nH+]2)CCC3)cc[nH+]1 ZINC001156756014 963455101 /nfs/dbraw/zinc/45/51/01/963455101.db2.gz NUKIGVMOKRAVMF-UHFFFAOYSA-N 2 2 240.310 2.160 20 0 BEADLP Cc1cc[nH+]c(NCc2ccc(N)[nH+]c2C)c1 ZINC001156974609 963507044 /nfs/dbraw/zinc/50/70/44/963507044.db2.gz IHALELQDISVZJH-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP CCN(CCn1cc[nH+]c1)c1cc(C)cc[nH+]1 ZINC001157461744 963620451 /nfs/dbraw/zinc/62/04/51/963620451.db2.gz RBUJXAHGAXYGAV-UHFFFAOYSA-N 2 2 230.315 2.113 20 0 BEADLP [NH3+]C[C@]1(F)CCN(c2[nH+]ccc3ccccc32)C1 ZINC001157808414 963729917 /nfs/dbraw/zinc/72/99/17/963729917.db2.gz GGDSFAGRUJLGCJ-CQSZACIVSA-N 2 2 245.301 2.112 20 0 BEADLP CCOc1ccc(C)c(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204809478 963777799 /nfs/dbraw/zinc/77/77/99/963777799.db2.gz HHIQZGDFJAZRKJ-HNNXBMFYSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1ccc(C)c(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204809478 963777803 /nfs/dbraw/zinc/77/78/03/963777803.db2.gz HHIQZGDFJAZRKJ-HNNXBMFYSA-N 2 2 248.370 2.317 20 0 BEADLP CCc1cc(NC2C[NH+](C(C)(C)C)C2)nc(C)[nH+]1 ZINC001162225146 964880550 /nfs/dbraw/zinc/88/05/50/964880550.db2.gz BQJNZPXJXKICAK-UHFFFAOYSA-N 2 2 248.374 2.242 20 0 BEADLP CCc1cc(N[C@@]2(C)CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC001162336583 964937117 /nfs/dbraw/zinc/93/71/17/964937117.db2.gz FCFHTAFWEJAVKY-AWEZNQCLSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1cc(N[C@@]2(C)CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC001162336583 964937120 /nfs/dbraw/zinc/93/71/20/964937120.db2.gz FCFHTAFWEJAVKY-AWEZNQCLSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(N[C@]2(C)CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC001162341031 964939168 /nfs/dbraw/zinc/93/91/68/964939168.db2.gz YJYFCWBRVMRDLQ-CQSZACIVSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(N[C@]2(C)CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001162341031 964939172 /nfs/dbraw/zinc/93/91/72/964939172.db2.gz YJYFCWBRVMRDLQ-CQSZACIVSA-N 2 2 248.374 2.244 20 0 BEADLP c1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)co1 ZINC000093866182 964990327 /nfs/dbraw/zinc/99/03/27/964990327.db2.gz IWBAJFAFEKBCEB-AWEZNQCLSA-N 2 2 244.294 2.328 20 0 BEADLP c1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)co1 ZINC000093866182 964990329 /nfs/dbraw/zinc/99/03/29/964990329.db2.gz IWBAJFAFEKBCEB-AWEZNQCLSA-N 2 2 244.294 2.328 20 0 BEADLP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCc2cccnc21 ZINC000226797721 965246817 /nfs/dbraw/zinc/24/68/17/965246817.db2.gz RGBPAMJOENFFEX-CYBMUJFWSA-N 2 2 247.386 2.246 20 0 BEADLP COc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064649 965288120 /nfs/dbraw/zinc/28/81/20/965288120.db2.gz UMTUGZTWCFGGAH-AAEUAGOBSA-N 2 2 234.343 2.007 20 0 BEADLP COc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064649 965288132 /nfs/dbraw/zinc/28/81/32/965288132.db2.gz UMTUGZTWCFGGAH-AAEUAGOBSA-N 2 2 234.343 2.007 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000388062847 965360476 /nfs/dbraw/zinc/36/04/76/965360476.db2.gz JKSZAHMMFLTZPP-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000388062847 965360491 /nfs/dbraw/zinc/36/04/91/965360491.db2.gz JKSZAHMMFLTZPP-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2C[NH+]3CCC2CC3)c1C ZINC001163385622 965388461 /nfs/dbraw/zinc/38/84/61/965388461.db2.gz GANZYTBBNXUEEM-ZDUSSCGKSA-N 2 2 231.343 2.205 20 0 BEADLP Cc1nc(N[C@H](C)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC001163771684 965579140 /nfs/dbraw/zinc/57/91/40/965579140.db2.gz FOWCFMLUMRWJIK-SNVBAGLBSA-N 2 2 248.374 2.026 20 0 BEADLP Cc1c[nH+]c(N2CCC[C@@H]2C[NH+](C)C)cc1C ZINC001165075534 965957245 /nfs/dbraw/zinc/95/72/45/965957245.db2.gz YZHSHHDGRKBUGN-CYBMUJFWSA-N 2 2 233.359 2.229 20 0 BEADLP Cc1c[nH+]c(N2CCC[C@H]2C[NH+](C)C)cc1C ZINC001165075535 965960299 /nfs/dbraw/zinc/96/02/99/965960299.db2.gz YZHSHHDGRKBUGN-ZDUSSCGKSA-N 2 2 233.359 2.229 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166600 966024849 /nfs/dbraw/zinc/02/48/49/966024849.db2.gz TZQCIKAMYRRODM-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166600 966024869 /nfs/dbraw/zinc/02/48/69/966024869.db2.gz TZQCIKAMYRRODM-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCc1ccccc1F)C2 ZINC001235241562 966034416 /nfs/dbraw/zinc/03/44/16/966034416.db2.gz XWLXKWMNEHQWFP-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCc1ccccc1F)C2 ZINC001235241562 966034433 /nfs/dbraw/zinc/03/44/33/966034433.db2.gz XWLXKWMNEHQWFP-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP CC(C)[N@H+](CC[NH3+])Cc1cccc2c1CCC2 ZINC001235948807 966180895 /nfs/dbraw/zinc/18/08/95/966180895.db2.gz WFPPJSXNIUMMOT-UHFFFAOYSA-N 2 2 232.371 2.344 20 0 BEADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc2c1CCC2 ZINC001235948807 966180907 /nfs/dbraw/zinc/18/09/07/966180907.db2.gz WFPPJSXNIUMMOT-UHFFFAOYSA-N 2 2 232.371 2.344 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccnc3ccccc23)C1 ZINC001206710981 966185151 /nfs/dbraw/zinc/18/51/51/966185151.db2.gz CDSRGZJBRWKMDN-UHFFFAOYSA-N 2 2 241.338 2.015 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](CCCc1ccccc1F)C2 ZINC001235980507 966196545 /nfs/dbraw/zinc/19/65/45/966196545.db2.gz PSCGMKQKIQVFFI-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1F)C2 ZINC001235980507 966196557 /nfs/dbraw/zinc/19/65/57/966196557.db2.gz PSCGMKQKIQVFFI-HIFRSBDPSA-N 2 2 248.345 2.181 20 0 BEADLP CC(C)c1ccc(CC[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236014063 966222367 /nfs/dbraw/zinc/22/23/67/966222367.db2.gz DIRSZZPFTXSCSW-HZPDHXFCSA-N 2 2 244.382 2.386 20 0 BEADLP CC(C)c1ccc(CC[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236014063 966222388 /nfs/dbraw/zinc/22/23/88/966222388.db2.gz DIRSZZPFTXSCSW-HZPDHXFCSA-N 2 2 244.382 2.386 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC001236031231 966249169 /nfs/dbraw/zinc/24/91/69/966249169.db2.gz SIFDCSXJORTQCK-HUUCEWRRSA-N 2 2 230.355 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC001236031231 966249195 /nfs/dbraw/zinc/24/91/95/966249195.db2.gz SIFDCSXJORTQCK-HUUCEWRRSA-N 2 2 230.355 2.145 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001236171583 966290718 /nfs/dbraw/zinc/29/07/18/966290718.db2.gz UTEAVOWKWFPJKO-AWEZNQCLSA-N 2 2 241.338 2.010 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001236171583 966290732 /nfs/dbraw/zinc/29/07/32/966290732.db2.gz UTEAVOWKWFPJKO-AWEZNQCLSA-N 2 2 241.338 2.010 20 0 BEADLP Cn1ccc2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc21 ZINC001236245153 966316996 /nfs/dbraw/zinc/31/69/96/966316996.db2.gz KPEJOTSPPYXWIO-CQSZACIVSA-N 2 2 243.354 2.101 20 0 BEADLP Cn1ccc2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc21 ZINC001236245153 966317006 /nfs/dbraw/zinc/31/70/06/966317006.db2.gz KPEJOTSPPYXWIO-CQSZACIVSA-N 2 2 243.354 2.101 20 0 BEADLP CCOc1ccc(C[NH+]2CC(C)(C[NH3+])C2)c(C)c1 ZINC001206717886 966396509 /nfs/dbraw/zinc/39/65/09/966396509.db2.gz GQODUNSDMXGXCE-UHFFFAOYSA-N 2 2 248.370 2.174 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C(F)F ZINC001236895801 966614428 /nfs/dbraw/zinc/61/44/28/966614428.db2.gz YEOHRVIYVVBCBK-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(F)F ZINC001236895801 966614432 /nfs/dbraw/zinc/61/44/32/966614432.db2.gz YEOHRVIYVVBCBK-VIFPVBQESA-N 2 2 228.286 2.403 20 0 BEADLP Cc1ccc(Nc2cc[nH+]c(CO)c2)c(C)[nH+]1 ZINC001203369919 966620191 /nfs/dbraw/zinc/62/01/91/966620191.db2.gz FJCINXNVJRLEGG-UHFFFAOYSA-N 2 2 229.283 2.329 20 0 BEADLP CCCc1ccc(C[N@@H+]2CCC[NH2+]CC2)s1 ZINC001204661149 967120920 /nfs/dbraw/zinc/12/09/20/967120920.db2.gz YAGZDWPBUOBHFJ-UHFFFAOYSA-N 2 2 238.400 2.496 20 0 BEADLP CCCc1ccc(C[N@H+]2CCC[NH2+]CC2)s1 ZINC001204661149 967120934 /nfs/dbraw/zinc/12/09/34/967120934.db2.gz YAGZDWPBUOBHFJ-UHFFFAOYSA-N 2 2 238.400 2.496 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](CCCc2ccccc2F)C1 ZINC001204763907 967150639 /nfs/dbraw/zinc/15/06/39/967150639.db2.gz RZCRUKKURVHJHX-CQSZACIVSA-N 2 2 236.334 2.181 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](CCCc2ccccc2F)C1 ZINC001204763907 967150647 /nfs/dbraw/zinc/15/06/47/967150647.db2.gz RZCRUKKURVHJHX-CQSZACIVSA-N 2 2 236.334 2.181 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3ccncc32)C1 ZINC001204782497 967164437 /nfs/dbraw/zinc/16/44/37/967164437.db2.gz GJBWYBDRNFEQFK-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001204782497 967164450 /nfs/dbraw/zinc/16/44/50/967164450.db2.gz GJBWYBDRNFEQFK-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3cnccc32)C1 ZINC001204782279 967166745 /nfs/dbraw/zinc/16/67/45/967166745.db2.gz CKIIBFGNIMRDQM-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001204782279 967166755 /nfs/dbraw/zinc/16/67/55/967166755.db2.gz CKIIBFGNIMRDQM-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001204792684 967169381 /nfs/dbraw/zinc/16/93/81/967169381.db2.gz YHFZWPYMBWFNBP-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001204792684 967169390 /nfs/dbraw/zinc/16/93/90/967169390.db2.gz YHFZWPYMBWFNBP-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3occc32)C1 ZINC001204801818 967174908 /nfs/dbraw/zinc/17/49/08/967174908.db2.gz VHDYLNHSSQNOAU-CQSZACIVSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3occc32)C1 ZINC001204801818 967174912 /nfs/dbraw/zinc/17/49/12/967174912.db2.gz VHDYLNHSSQNOAU-CQSZACIVSA-N 2 2 230.311 2.356 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1C ZINC001204904822 967223951 /nfs/dbraw/zinc/22/39/51/967223951.db2.gz YYZBFWGUVAHZOT-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1C ZINC001204904822 967223962 /nfs/dbraw/zinc/22/39/62/967223962.db2.gz YYZBFWGUVAHZOT-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1F ZINC001205064073 967312071 /nfs/dbraw/zinc/31/20/71/967312071.db2.gz GKVDDGDHUPGOAI-AAEUAGOBSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1F ZINC001205064073 967312080 /nfs/dbraw/zinc/31/20/80/967312080.db2.gz GKVDDGDHUPGOAI-AAEUAGOBSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCCC(F)(F)F ZINC001205058617 967315910 /nfs/dbraw/zinc/31/59/10/967315910.db2.gz PACMOVGOFQYSHT-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCCC(F)(F)F ZINC001205058617 967315921 /nfs/dbraw/zinc/31/59/21/967315921.db2.gz PACMOVGOFQYSHT-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2ncccc12 ZINC001205177283 967410129 /nfs/dbraw/zinc/41/01/29/967410129.db2.gz IGQQFJPWYUEWQE-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2ncccc12 ZINC001205177283 967410136 /nfs/dbraw/zinc/41/01/36/967410136.db2.gz IGQQFJPWYUEWQE-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)c21 ZINC001205183210 967419756 /nfs/dbraw/zinc/41/97/56/967419756.db2.gz XUONNXZESHMNHB-DGCLKSJQSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)c21 ZINC001205183210 967419762 /nfs/dbraw/zinc/41/97/62/967419762.db2.gz XUONNXZESHMNHB-DGCLKSJQSA-N 2 2 243.354 2.398 20 0 BEADLP C[NH+](C)CCCc1ccc(N2CCCC2)[nH+]c1 ZINC001250160993 967451688 /nfs/dbraw/zinc/45/16/88/967451688.db2.gz KVCVINCPRFEGOJ-UHFFFAOYSA-N 2 2 233.359 2.176 20 0 BEADLP Cc1csc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205265641 967457077 /nfs/dbraw/zinc/45/70/77/967457077.db2.gz QHNXHDCLRANOCQ-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1csc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205265641 967457083 /nfs/dbraw/zinc/45/70/83/967457083.db2.gz QHNXHDCLRANOCQ-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1scnc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205281145 967473361 /nfs/dbraw/zinc/47/33/61/967473361.db2.gz QGONLMMNOOWQSV-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1scnc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205281145 967473368 /nfs/dbraw/zinc/47/33/68/967473368.db2.gz QGONLMMNOOWQSV-LBPRGKRZSA-N 2 2 239.388 2.155 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C[C@@H]1C ZINC000084987726 967653486 /nfs/dbraw/zinc/65/34/86/967653486.db2.gz OTBSJTWSEUOORG-FRRDWIJNSA-N 2 2 235.375 2.377 20 0 BEADLP C[NH+](C)Cc1cccc(CCn2cc[nH+]c2)c1F ZINC001250320517 967697186 /nfs/dbraw/zinc/69/71/86/967697186.db2.gz NPLPJDJSUHBALX-UHFFFAOYSA-N 2 2 247.317 2.327 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cn1 ZINC001205838311 967849371 /nfs/dbraw/zinc/84/93/71/967849371.db2.gz CAEUYGPRMMWLHM-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cn1 ZINC001205838311 967849375 /nfs/dbraw/zinc/84/93/75/967849375.db2.gz CAEUYGPRMMWLHM-IAQYHMDHSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(C)n1 ZINC001205845373 967850254 /nfs/dbraw/zinc/85/02/54/967850254.db2.gz ZVLJZYFJCLEQSS-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc(C)n1 ZINC001205845373 967850256 /nfs/dbraw/zinc/85/02/56/967850256.db2.gz ZVLJZYFJCLEQSS-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC001205863401 967863710 /nfs/dbraw/zinc/86/37/10/967863710.db2.gz QRTFDPJJFTZEEO-RISCZKNCSA-N 2 2 236.359 2.190 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)o1 ZINC001205863401 967863712 /nfs/dbraw/zinc/86/37/12/967863712.db2.gz QRTFDPJJFTZEEO-RISCZKNCSA-N 2 2 236.359 2.190 20 0 BEADLP C/C(=C\C=C\[NH3+])n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162765766 967900968 /nfs/dbraw/zinc/90/09/68/967900968.db2.gz JPYUJAIPPHGSHQ-IFOVJANQSA-N 2 2 242.326 2.389 20 0 BEADLP Cc1cc(F)cc2[nH+]c(C3CC[NH2+]CC3)[nH]c21 ZINC001250549313 968054955 /nfs/dbraw/zinc/05/49/55/968054955.db2.gz WFPJMIZUUJATCD-UHFFFAOYSA-N 2 2 233.290 2.477 20 0 BEADLP CCc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)o1 ZINC000697904059 968154745 /nfs/dbraw/zinc/15/47/45/968154745.db2.gz MVURSPVHFUZZKO-LLVKDONJSA-N 2 2 224.348 2.272 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2cccs2)C1 ZINC001206344978 968248418 /nfs/dbraw/zinc/24/84/18/968248418.db2.gz YTCCEAGBASIOKJ-GFCCVEGCSA-N 2 2 242.363 2.401 20 0 BEADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cccs2)C1 ZINC001206344978 968248428 /nfs/dbraw/zinc/24/84/28/968248428.db2.gz YTCCEAGBASIOKJ-GFCCVEGCSA-N 2 2 242.363 2.401 20 0 BEADLP Nc1cc(Nc2cccc3[nH+]ccn32)cc[nH+]1 ZINC001206521772 968351858 /nfs/dbraw/zinc/35/18/58/968351858.db2.gz DIZJWXSIFVKNDG-UHFFFAOYSA-N 2 2 225.255 2.055 20 0 BEADLP Cn1c[nH+]c2cc(Nc3cc[nH+]c(N)c3)ccc21 ZINC001206561531 968383347 /nfs/dbraw/zinc/38/33/47/968383347.db2.gz KGOQOADILZSDGI-UHFFFAOYSA-N 2 2 239.282 2.294 20 0 BEADLP C[NH+](C)CC(C)(C)CNc1ccn2cc[nH+]c2c1 ZINC001168766701 968562332 /nfs/dbraw/zinc/56/23/32/968562332.db2.gz QNDMQBZUYNNIJA-UHFFFAOYSA-N 2 2 246.358 2.334 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CCC[NH2+]C1 ZINC001240665099 968628434 /nfs/dbraw/zinc/62/84/34/968628434.db2.gz UKXUBNIPAGJZEO-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP CCCCNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001154828226 968683118 /nfs/dbraw/zinc/68/31/18/968683118.db2.gz SWNFYDDVHICQKR-UHFFFAOYSA-N 2 2 248.374 2.045 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001207626275 968841494 /nfs/dbraw/zinc/84/14/94/968841494.db2.gz DCXAIPANGYNRLI-JJXSEGSLSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001207626275 968841496 /nfs/dbraw/zinc/84/14/96/968841496.db2.gz DCXAIPANGYNRLI-JJXSEGSLSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001207626275 968841498 /nfs/dbraw/zinc/84/14/98/968841498.db2.gz DCXAIPANGYNRLI-JJXSEGSLSA-N 2 2 246.398 2.369 20 0 BEADLP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001207626275 968841500 /nfs/dbraw/zinc/84/15/00/968841500.db2.gz DCXAIPANGYNRLI-JJXSEGSLSA-N 2 2 246.398 2.369 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632101 968848138 /nfs/dbraw/zinc/84/81/38/968848138.db2.gz MEXULIKZUOJZJE-CQJMVSDSSA-N 2 2 246.398 2.225 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632101 968848141 /nfs/dbraw/zinc/84/81/41/968848141.db2.gz MEXULIKZUOJZJE-CQJMVSDSSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632101 968848147 /nfs/dbraw/zinc/84/81/47/968848147.db2.gz MEXULIKZUOJZJE-CQJMVSDSSA-N 2 2 246.398 2.225 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)C[C@H]21 ZINC001207632101 968848151 /nfs/dbraw/zinc/84/81/51/968848151.db2.gz MEXULIKZUOJZJE-CQJMVSDSSA-N 2 2 246.398 2.225 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763485 968879137 /nfs/dbraw/zinc/87/91/37/968879137.db2.gz QMFOPOBKOZVILH-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763485 968879139 /nfs/dbraw/zinc/87/91/39/968879139.db2.gz QMFOPOBKOZVILH-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP [NH3+]CCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000405051656 968950304 /nfs/dbraw/zinc/95/03/04/968950304.db2.gz IAURHHAOVIRTRC-UHFFFAOYSA-N 2 2 220.307 2.237 20 0 BEADLP [NH3+]CCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000405051656 968950313 /nfs/dbraw/zinc/95/03/13/968950313.db2.gz IAURHHAOVIRTRC-UHFFFAOYSA-N 2 2 220.307 2.237 20 0 BEADLP CC[NH+]1CCC(C[N@@H+]2CCCC(F)(F)C2)CC1 ZINC001208595731 969150232 /nfs/dbraw/zinc/15/02/32/969150232.db2.gz VKJIDKDQUPIJIK-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP CC[NH+]1CCC(C[N@H+]2CCCC(F)(F)C2)CC1 ZINC001208595731 969150238 /nfs/dbraw/zinc/15/02/38/969150238.db2.gz VKJIDKDQUPIJIK-UHFFFAOYSA-N 2 2 246.345 2.449 20 0 BEADLP CCOc1cc(NC2=CC[N@H+](C)CC2)cc(C)[nH+]1 ZINC001208795007 969242186 /nfs/dbraw/zinc/24/21/86/969242186.db2.gz VABKDVHBTXXSGM-UHFFFAOYSA-N 2 2 247.342 2.420 20 0 BEADLP CCOc1cc(NC2=CC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC001208795007 969242195 /nfs/dbraw/zinc/24/21/95/969242195.db2.gz VABKDVHBTXXSGM-UHFFFAOYSA-N 2 2 247.342 2.420 20 0 BEADLP CC[N@H+](C[C@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208880132 969271315 /nfs/dbraw/zinc/27/13/15/969271315.db2.gz IVVMIGWXTDOWPJ-CQSZACIVSA-N 2 2 238.375 2.095 20 0 BEADLP CC[N@@H+](C[C@H]1CCC=CO1)C1CC[NH+](C)CC1 ZINC001208880132 969271322 /nfs/dbraw/zinc/27/13/22/969271322.db2.gz IVVMIGWXTDOWPJ-CQSZACIVSA-N 2 2 238.375 2.095 20 0 BEADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001169060886 969375063 /nfs/dbraw/zinc/37/50/63/969375063.db2.gz FIRFHEOZFYFUMT-RBSFLKMASA-N 2 2 232.371 2.333 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC001169092824 969387752 /nfs/dbraw/zinc/38/77/52/969387752.db2.gz CSBKHTIBPBMXSY-QDMKHBRRSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC001169092824 969387757 /nfs/dbraw/zinc/38/77/57/969387757.db2.gz CSBKHTIBPBMXSY-QDMKHBRRSA-N 2 2 245.370 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169089338 969406312 /nfs/dbraw/zinc/40/63/12/969406312.db2.gz BSJZOGMIXSCSSV-SYQHCUMBSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169089338 969406318 /nfs/dbraw/zinc/40/63/18/969406318.db2.gz BSJZOGMIXSCSSV-SYQHCUMBSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccn1 ZINC001169092407 969413565 /nfs/dbraw/zinc/41/35/65/969413565.db2.gz BSJZOGMIXSCSSV-XDQVBPFNSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccn1 ZINC001169092407 969413566 /nfs/dbraw/zinc/41/35/66/969413566.db2.gz BSJZOGMIXSCSSV-XDQVBPFNSA-N 2 2 245.370 2.357 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3cccnc3C1)C2 ZINC001169125855 969429177 /nfs/dbraw/zinc/42/91/77/969429177.db2.gz MRAAHJFRFWQWCF-BTTYYORXSA-N 2 2 243.354 2.022 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1Cc3cccnc3C1)C2 ZINC001169125855 969429181 /nfs/dbraw/zinc/42/91/81/969429181.db2.gz MRAAHJFRFWQWCF-BTTYYORXSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1Cc3cccnc3C1)C2 ZINC001169125855 969429187 /nfs/dbraw/zinc/42/91/87/969429187.db2.gz MRAAHJFRFWQWCF-BTTYYORXSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1Cc3cccnc3C1)C2 ZINC001169125855 969429194 /nfs/dbraw/zinc/42/91/94/969429194.db2.gz MRAAHJFRFWQWCF-BTTYYORXSA-N 2 2 243.354 2.022 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](F)C1)C2 ZINC001169139889 969457417 /nfs/dbraw/zinc/45/74/17/969457417.db2.gz FUOYTBYETBEENK-FVCCEPFGSA-N 2 2 226.339 2.046 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](F)C1)C2 ZINC001169139889 969457425 /nfs/dbraw/zinc/45/74/25/969457425.db2.gz FUOYTBYETBEENK-FVCCEPFGSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](F)C1)C2 ZINC001169139889 969457436 /nfs/dbraw/zinc/45/74/36/969457436.db2.gz FUOYTBYETBEENK-FVCCEPFGSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](F)C1)C2 ZINC001169139889 969457446 /nfs/dbraw/zinc/45/74/46/969457446.db2.gz FUOYTBYETBEENK-FVCCEPFGSA-N 2 2 226.339 2.046 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](F)C1)C2 ZINC001169139893 969458520 /nfs/dbraw/zinc/45/85/20/969458520.db2.gz FUOYTBYETBEENK-WUHRBBMRSA-N 2 2 226.339 2.046 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](F)C1)C2 ZINC001169139893 969458524 /nfs/dbraw/zinc/45/85/24/969458524.db2.gz FUOYTBYETBEENK-WUHRBBMRSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](F)C1)C2 ZINC001169139893 969458528 /nfs/dbraw/zinc/45/85/28/969458528.db2.gz FUOYTBYETBEENK-WUHRBBMRSA-N 2 2 226.339 2.046 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](F)C1)C2 ZINC001169139893 969458533 /nfs/dbraw/zinc/45/85/33/969458533.db2.gz FUOYTBYETBEENK-WUHRBBMRSA-N 2 2 226.339 2.046 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3C[C@H]31)C2 ZINC001169156338 969473943 /nfs/dbraw/zinc/47/39/43/969473943.db2.gz WUGAUFPZVHCXFH-ODXJTPSBSA-N 2 2 220.360 2.096 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3C[C@H]31)C2 ZINC001169156338 969473959 /nfs/dbraw/zinc/47/39/59/969473959.db2.gz WUGAUFPZVHCXFH-ODXJTPSBSA-N 2 2 220.360 2.096 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3C[C@H]31)C2 ZINC001169156338 969473966 /nfs/dbraw/zinc/47/39/66/969473966.db2.gz WUGAUFPZVHCXFH-ODXJTPSBSA-N 2 2 220.360 2.096 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3C[C@H]31)C2 ZINC001169156338 969473979 /nfs/dbraw/zinc/47/39/79/969473979.db2.gz WUGAUFPZVHCXFH-ODXJTPSBSA-N 2 2 220.360 2.096 20 0 BEADLP CC(C)[N@H+](C[C@@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209427604 969490981 /nfs/dbraw/zinc/49/09/81/969490981.db2.gz POUKDTVIHKBEIZ-STQMWFEESA-N 2 2 224.392 2.447 20 0 BEADLP CC(C)[N@@H+](C[C@@H]1C[C@@H]1C)C1CC[NH+](C)CC1 ZINC001209427604 969490992 /nfs/dbraw/zinc/49/09/92/969490992.db2.gz POUKDTVIHKBEIZ-STQMWFEESA-N 2 2 224.392 2.447 20 0 BEADLP CCC(CC)[N@H+](C)Cc1c[nH+]ccc1N ZINC001209737951 969599656 /nfs/dbraw/zinc/59/96/56/969599656.db2.gz UTCRFFHNOCBDTC-UHFFFAOYSA-N 2 2 207.321 2.115 20 0 BEADLP CCC(CC)[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209737951 969599662 /nfs/dbraw/zinc/59/96/62/969599662.db2.gz UTCRFFHNOCBDTC-UHFFFAOYSA-N 2 2 207.321 2.115 20 0 BEADLP c1cc2cc(NCC[C@H]3CCC[NH2+]3)[nH+]cc2[nH]1 ZINC001169561689 969756424 /nfs/dbraw/zinc/75/64/24/969756424.db2.gz MRZTVRFUIQGNGV-LLVKDONJSA-N 2 2 230.315 2.117 20 0 BEADLP CCC(CC)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254832839 969795444 /nfs/dbraw/zinc/79/54/44/969795444.db2.gz RRRYNRCCONUKGH-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP F[C@@H]1CCC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833864 969796581 /nfs/dbraw/zinc/79/65/81/969796581.db2.gz SUFFZVMIARWBMP-MCIONIFRSA-N 2 2 240.366 2.341 20 0 BEADLP C1CC2(C1)CC([NH2+][C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254845148 969803196 /nfs/dbraw/zinc/80/31/96/969803196.db2.gz MYKFMFRCKWELED-CYBMUJFWSA-N 2 2 234.387 2.393 20 0 BEADLP CC1(C)CC(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254851050 969805272 /nfs/dbraw/zinc/80/52/72/969805272.db2.gz KXQYEFTZQNGUBX-AWEZNQCLSA-N 2 2 236.403 2.497 20 0 BEADLP c1ccc2c(c1)C[NH+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254851934 969805869 /nfs/dbraw/zinc/80/58/69/969805869.db2.gz DDRXLMZEMGKOFR-MRXNPFEDSA-N 2 2 242.366 2.487 20 0 BEADLP C1CC2CCC1[NH+]2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254862313 969811899 /nfs/dbraw/zinc/81/18/99/969811899.db2.gz JJDYSRBGDDTZDQ-JXQTWKCFSA-N 2 2 220.360 2.098 20 0 BEADLP CC1(C)[C@@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254859418 969812189 /nfs/dbraw/zinc/81/21/89/969812189.db2.gz CYLVOKCBTYOZKG-MCIONIFRSA-N 2 2 234.387 2.059 20 0 BEADLP CC1(C)[C@@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254859418 969812190 /nfs/dbraw/zinc/81/21/90/969812190.db2.gz CYLVOKCBTYOZKG-MCIONIFRSA-N 2 2 234.387 2.059 20 0 BEADLP C1C[C@@H]2CCC[C@H]1[N@@H+]2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254863793 969812813 /nfs/dbraw/zinc/81/28/13/969812813.db2.gz KHPLHSGXCCSPKE-ZNMIVQPWSA-N 2 2 234.387 2.488 20 0 BEADLP C1C[C@@H]2CCC[C@H]1[N@H+]2[C@H]1CC2CC[NH+](CC2)C1 ZINC001254863793 969812816 /nfs/dbraw/zinc/81/28/16/969812816.db2.gz KHPLHSGXCCSPKE-ZNMIVQPWSA-N 2 2 234.387 2.488 20 0 BEADLP C[C@H]1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865067 969813733 /nfs/dbraw/zinc/81/37/33/969813733.db2.gz WKBLIHGZZROELY-OCCSQVGLSA-N 2 2 234.387 2.345 20 0 BEADLP C[C@H]1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865067 969813735 /nfs/dbraw/zinc/81/37/35/969813735.db2.gz WKBLIHGZZROELY-OCCSQVGLSA-N 2 2 234.387 2.345 20 0 BEADLP Oc1ccc([NH2+]CC23CC[NH+](CC2)CC3)cc1 ZINC001169802287 969850523 /nfs/dbraw/zinc/85/05/23/969850523.db2.gz LDYJYUIJAIICCB-UHFFFAOYSA-N 2 2 232.327 2.290 20 0 BEADLP CC(C)[N@H+]([C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC001255292581 970054337 /nfs/dbraw/zinc/05/43/37/970054337.db2.gz BYEJQUZPIBMIRC-CYBMUJFWSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)[N@@H+]([C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC001255292581 970054346 /nfs/dbraw/zinc/05/43/46/970054346.db2.gz BYEJQUZPIBMIRC-CYBMUJFWSA-N 2 2 242.432 2.297 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124230 970368891 /nfs/dbraw/zinc/36/88/91/970368891.db2.gz FVPPQXYIYHLJOA-WCQYABFASA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124230 970368909 /nfs/dbraw/zinc/36/89/09/970368909.db2.gz FVPPQXYIYHLJOA-WCQYABFASA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001255644128 970417819 /nfs/dbraw/zinc/41/78/19/970417819.db2.gz LCEBVCGIHUNSTL-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001255644128 970417826 /nfs/dbraw/zinc/41/78/26/970417826.db2.gz LCEBVCGIHUNSTL-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC001170160191 970499607 /nfs/dbraw/zinc/49/96/07/970499607.db2.gz YFCKKLXJBSYVLN-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C)C1 ZINC001170160191 970499617 /nfs/dbraw/zinc/49/96/17/970499617.db2.gz YFCKKLXJBSYVLN-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1(CF)CC1 ZINC001255941250 970564182 /nfs/dbraw/zinc/56/41/82/970564182.db2.gz MLZRROVDQSMIIY-NSHDSACASA-N 2 2 216.344 2.199 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C(C)(C)C(C)=O ZINC001255939336 970572169 /nfs/dbraw/zinc/57/21/69/970572169.db2.gz BVDYBMFBEUGJPX-LLVKDONJSA-N 2 2 228.380 2.064 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001255955782 970593334 /nfs/dbraw/zinc/59/33/34/970593334.db2.gz DONXYSDLRDRDHS-UPJWGTAASA-N 2 2 230.371 2.397 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001255955782 970593343 /nfs/dbraw/zinc/59/33/43/970593343.db2.gz DONXYSDLRDRDHS-UPJWGTAASA-N 2 2 230.371 2.397 20 0 BEADLP C1CC1[NH+]1CCC([NH+]2CC3(CCC3)C2)CC1 ZINC001256076182 970647742 /nfs/dbraw/zinc/64/77/42/970647742.db2.gz WBKSPJMMBDVUCP-UHFFFAOYSA-N 2 2 220.360 2.099 20 0 BEADLP C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)[C@@H]1C ZINC001256207231 970714865 /nfs/dbraw/zinc/71/48/65/970714865.db2.gz DAHXUSYAADEEHS-VXGBXAGGSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)[C@@H]1C ZINC001256207231 970714870 /nfs/dbraw/zinc/71/48/70/970714870.db2.gz DAHXUSYAADEEHS-VXGBXAGGSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H](C[NH2+]C1CC(C)C1)[NH+]1CCCCC1 ZINC000231787609 972956580 /nfs/dbraw/zinc/95/65/80/972956580.db2.gz DZKAXIKKARQXDW-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(COC2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001223419373 973049416 /nfs/dbraw/zinc/04/94/16/973049416.db2.gz CXKGJIHKXMXCTL-UHFFFAOYSA-N 2 2 234.343 2.309 20 0 BEADLP C[C@H]1CC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@H](C)C1 ZINC001246660291 973067052 /nfs/dbraw/zinc/06/70/52/973067052.db2.gz SKXVVWTYLNFWIE-NRWUCQMLSA-N 2 2 222.376 2.234 20 0 BEADLP C[C@H]1CC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C[C@H](C)C1 ZINC001246660291 973067061 /nfs/dbraw/zinc/06/70/61/973067061.db2.gz SKXVVWTYLNFWIE-NRWUCQMLSA-N 2 2 222.376 2.234 20 0 BEADLP CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246661164 973078498 /nfs/dbraw/zinc/07/84/98/973078498.db2.gz ULWYZTAFRGQZOO-FRRDWIJNSA-N 2 2 210.365 2.234 20 0 BEADLP CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246661164 973078511 /nfs/dbraw/zinc/07/85/11/973078511.db2.gz ULWYZTAFRGQZOO-FRRDWIJNSA-N 2 2 210.365 2.234 20 0 BEADLP CCCOC1CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246793491 973093697 /nfs/dbraw/zinc/09/36/97/973093697.db2.gz ZTRDTCGFMFNDFK-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001246919139 973480309 /nfs/dbraw/zinc/48/03/09/973480309.db2.gz MQBNXDWZZQGRQZ-WCVJEAGWSA-N 2 2 242.366 2.226 20 0 BEADLP c1ccc([C@@H]2CC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC001246919139 973480319 /nfs/dbraw/zinc/48/03/19/973480319.db2.gz MQBNXDWZZQGRQZ-WCVJEAGWSA-N 2 2 242.366 2.226 20 0 BEADLP CCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246919078 973481418 /nfs/dbraw/zinc/48/14/18/973481418.db2.gz MHEMWKRADBBHMH-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246919078 973481440 /nfs/dbraw/zinc/48/14/40/973481440.db2.gz MHEMWKRADBBHMH-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C1[C@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001246922736 973507942 /nfs/dbraw/zinc/50/79/42/973507942.db2.gz WSDWMABAHSMYNU-TZMCWYRMSA-N 2 2 234.387 2.393 20 0 BEADLP C1[C@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC2(CCCC2)CC1 ZINC001246922736 973507955 /nfs/dbraw/zinc/50/79/55/973507955.db2.gz WSDWMABAHSMYNU-TZMCWYRMSA-N 2 2 234.387 2.393 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171401375 974005414 /nfs/dbraw/zinc/00/54/14/974005414.db2.gz LZWJDYCJZIRPEL-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171401375 974005430 /nfs/dbraw/zinc/00/54/30/974005430.db2.gz LZWJDYCJZIRPEL-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C2 ZINC001171552247 974098333 /nfs/dbraw/zinc/09/83/33/974098333.db2.gz VJRNLCWFNUMHLU-UKRRQHHQSA-N 2 2 246.398 2.392 20 0 BEADLP CCOC(=[NH2+])CCCCO[C@H]1CCC[N@H+](C)C1 ZINC001224963006 974103656 /nfs/dbraw/zinc/10/36/56/974103656.db2.gz DXIQXTSASISDKS-LBPRGKRZSA-N 2 2 242.363 2.281 20 0 BEADLP CCOC(=[NH2+])CCCCO[C@H]1CCC[N@@H+](C)C1 ZINC001224963006 974103661 /nfs/dbraw/zinc/10/36/61/974103661.db2.gz DXIQXTSASISDKS-LBPRGKRZSA-N 2 2 242.363 2.281 20 0 BEADLP C[NH+]1C(C)(C)CC([NH2+]C2(C)COC2)CC1(C)C ZINC001171619306 974113170 /nfs/dbraw/zinc/11/31/70/974113170.db2.gz JEHHGNWGGQZIHR-UHFFFAOYSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2C[C@H]2F)CC1(C)C ZINC001171621030 974113829 /nfs/dbraw/zinc/11/38/29/974113829.db2.gz GJYNTWSDZRPWQS-GHMZBOCLSA-N 2 2 228.355 2.338 20 0 BEADLP CC(C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001225291337 974365006 /nfs/dbraw/zinc/36/50/06/974365006.db2.gz SAYLXFPIMAILAN-UHFFFAOYSA-N 2 2 220.316 2.333 20 0 BEADLP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc[nH+]cc1 ZINC001225294085 974368200 /nfs/dbraw/zinc/36/82/00/974368200.db2.gz DZJWIJHQWIUHLW-DABQJJPHSA-N 2 2 232.327 2.191 20 0 BEADLP C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc[nH+]cc1 ZINC001225294085 974368192 /nfs/dbraw/zinc/36/81/92/974368192.db2.gz DZJWIJHQWIUHLW-DABQJJPHSA-N 2 2 232.327 2.191 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172182972 974396382 /nfs/dbraw/zinc/39/63/82/974396382.db2.gz APNFWYGJFICGQB-OLZOCXBDSA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172182972 974396387 /nfs/dbraw/zinc/39/63/87/974396387.db2.gz APNFWYGJFICGQB-OLZOCXBDSA-N 2 2 248.395 2.127 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cs1 ZINC001331286870 974672049 /nfs/dbraw/zinc/67/20/49/974672049.db2.gz DJSDZOACLGPLPA-CHWSQXEVSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cs1 ZINC001331286870 974672055 /nfs/dbraw/zinc/67/20/55/974672055.db2.gz DJSDZOACLGPLPA-CHWSQXEVSA-N 2 2 236.384 2.370 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC001172435352 974676142 /nfs/dbraw/zinc/67/61/42/974676142.db2.gz CFPIMCXOYCCKHU-ZIAGYGMSSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC001172435352 974676144 /nfs/dbraw/zinc/67/61/44/974676144.db2.gz CFPIMCXOYCCKHU-ZIAGYGMSSA-N 2 2 242.407 2.262 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(F)c(F)cc1F ZINC001331417577 974712604 /nfs/dbraw/zinc/71/26/04/974712604.db2.gz COQHGSQSXGSDQY-QMMMGPOBSA-N 2 2 246.276 2.192 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC001172382298 974723271 /nfs/dbraw/zinc/72/32/71/974723271.db2.gz CTVPHIIJTLZSHM-LBPRGKRZSA-N 2 2 209.337 2.297 20 0 BEADLP CC[C@H](CC(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC001172386391 974732364 /nfs/dbraw/zinc/73/23/64/974732364.db2.gz OYMNXRYSPZIYBW-NWDGAFQWSA-N 2 2 200.370 2.351 20 0 BEADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172552631 974866768 /nfs/dbraw/zinc/86/67/68/974866768.db2.gz GUYHFKHQVDXJCA-AAVRWANBSA-N 2 2 216.328 2.012 20 0 BEADLP C/C=C\C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001331922732 974867273 /nfs/dbraw/zinc/86/72/73/974867273.db2.gz MPEKYCRRXXNLKP-ARJAWSKDSA-N 2 2 242.282 2.090 20 0 BEADLP CC[N@H+](Cc1ccc(O)cc1)C1CC[NH+](C)CC1 ZINC001204093298 974896464 /nfs/dbraw/zinc/89/64/64/974896464.db2.gz BTTCRWKGOQJHBQ-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CC[N@@H+](Cc1ccc(O)cc1)C1CC[NH+](C)CC1 ZINC001204093298 974896467 /nfs/dbraw/zinc/89/64/67/974896467.db2.gz BTTCRWKGOQJHBQ-UHFFFAOYSA-N 2 2 248.370 2.308 20 0 BEADLP CC[C@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001173263263 975117902 /nfs/dbraw/zinc/11/79/02/975117902.db2.gz HKLUORIJRNDHMU-QWRGUYRKSA-N 2 2 207.321 2.136 20 0 BEADLP CC[C@@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001173263260 975118340 /nfs/dbraw/zinc/11/83/40/975118340.db2.gz HKLUORIJRNDHMU-MNOVXSKESA-N 2 2 207.321 2.136 20 0 BEADLP Cn1c[nH+]cc1Nc1cc[nH+]c2ccccc12 ZINC001174039118 976246727 /nfs/dbraw/zinc/24/67/27/976246727.db2.gz NBKONFPZCBTYMW-UHFFFAOYSA-N 2 2 224.267 2.134 20 0 BEADLP Cc1c[nH+]ccc1Nc1ccc2c(c1)[nH+]cn2C ZINC001174540122 976830889 /nfs/dbraw/zinc/83/08/89/976830889.db2.gz VIWLGRSUHMJCKF-UHFFFAOYSA-N 2 2 238.294 2.442 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001335269019 976910584 /nfs/dbraw/zinc/91/05/84/976910584.db2.gz BPNOFKITGVDKQA-HNNXBMFYSA-N 2 2 244.382 2.263 20 0 BEADLP Cc1cc(Nc2cccc3[nH+]ccn32)cc[nH+]1 ZINC001174652417 976934845 /nfs/dbraw/zinc/93/48/45/976934845.db2.gz WZCCGKIFHVMPMI-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP C[C@H](C[NH+](C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953572 977041035 /nfs/dbraw/zinc/04/10/35/977041035.db2.gz BKWWIEBASKMRFJ-GFCCVEGCSA-N 2 2 245.326 2.201 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cs1 ZINC001336093235 977500440 /nfs/dbraw/zinc/50/04/40/977500440.db2.gz FUYDWQXUWCKBCX-STQMWFEESA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cs1 ZINC001336093235 977500451 /nfs/dbraw/zinc/50/04/51/977500451.db2.gz FUYDWQXUWCKBCX-STQMWFEESA-N 2 2 236.384 2.370 20 0 BEADLP C[N@@H+]1CCC=C([NH+]=c2ccc3ns[nH]c-3c2)C1 ZINC001175575821 977582156 /nfs/dbraw/zinc/58/21/56/977582156.db2.gz BMTOBFMTUGRJOP-UHFFFAOYSA-N 2 2 246.339 2.323 20 0 BEADLP C[N@H+]1CCC=C([NH+]=c2ccc3ns[nH]c-3c2)C1 ZINC001175575821 977582161 /nfs/dbraw/zinc/58/21/61/977582161.db2.gz BMTOBFMTUGRJOP-UHFFFAOYSA-N 2 2 246.339 2.323 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H](C)CO1 ZINC001232018229 977847091 /nfs/dbraw/zinc/84/70/91/977847091.db2.gz HGBDBJKNNOHRNB-WDEREUQCSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H](C)CO1 ZINC001232018229 977847095 /nfs/dbraw/zinc/84/70/95/977847095.db2.gz HGBDBJKNNOHRNB-WDEREUQCSA-N 2 2 245.326 2.172 20 0 BEADLP CC[C@H]1COCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015114 977847123 /nfs/dbraw/zinc/84/71/23/977847123.db2.gz BBPIITRIWPPOAO-ZDUSSCGKSA-N 2 2 245.326 2.174 20 0 BEADLP CC[C@H]1COCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015114 977847129 /nfs/dbraw/zinc/84/71/29/977847129.db2.gz BBPIITRIWPPOAO-ZDUSSCGKSA-N 2 2 245.326 2.174 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)nc1C ZINC001232084313 977884179 /nfs/dbraw/zinc/88/41/79/977884179.db2.gz HKYVDIJJGXDOPR-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)nc1C ZINC001232084313 977884184 /nfs/dbraw/zinc/88/41/84/977884184.db2.gz HKYVDIJJGXDOPR-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP Cn1c[nH+]c2cccc(Nc3[nH]cc[nH+]3)c21 ZINC001176085322 977886241 /nfs/dbraw/zinc/88/62/41/977886241.db2.gz GGIRLKHTLJJCQL-UHFFFAOYSA-N 2 2 213.244 2.040 20 0 BEADLP Cc1cc(C)[nH+]c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000721838703 978051822 /nfs/dbraw/zinc/05/18/22/978051822.db2.gz SNZCXUNHJCVYKN-GXTWGEPZSA-N 2 2 231.343 2.395 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCCCC23CC3)c[nH+]1 ZINC001232464886 978109109 /nfs/dbraw/zinc/10/91/09/978109109.db2.gz OFIRNADCMNPTDV-UHFFFAOYSA-N 2 2 205.305 2.237 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCCCC23CC3)c[nH+]1 ZINC001232464886 978109116 /nfs/dbraw/zinc/10/91/16/978109116.db2.gz OFIRNADCMNPTDV-UHFFFAOYSA-N 2 2 205.305 2.237 20 0 BEADLP CNc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001232667100 978226982 /nfs/dbraw/zinc/22/69/82/978226982.db2.gz SLBXGUYNTDLUFH-UHFFFAOYSA-N 2 2 247.386 2.254 20 0 BEADLP CNc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001232667100 978226996 /nfs/dbraw/zinc/22/69/96/978226996.db2.gz SLBXGUYNTDLUFH-UHFFFAOYSA-N 2 2 247.386 2.254 20 0 BEADLP Cc1cc(O)cc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001232881398 978318629 /nfs/dbraw/zinc/31/86/29/978318629.db2.gz XTNKMXYSZADXQM-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP Cc1cc(O)cc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001232881398 978318639 /nfs/dbraw/zinc/31/86/39/978318639.db2.gz XTNKMXYSZADXQM-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(C)c(C)c1 ZINC001233161394 978479845 /nfs/dbraw/zinc/47/98/45/978479845.db2.gz ABRLLLYRUYFTLA-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)c(C)c1 ZINC001233161394 978479851 /nfs/dbraw/zinc/47/98/51/978479851.db2.gz ABRLLLYRUYFTLA-UHFFFAOYSA-N 2 2 249.402 2.472 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccsc2)C1 ZINC001206343367 978621130 /nfs/dbraw/zinc/62/11/30/978621130.db2.gz FKSFPSQAVYNGHP-LBPRGKRZSA-N 2 2 242.363 2.401 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccsc2)C1 ZINC001206343367 978621135 /nfs/dbraw/zinc/62/11/35/978621135.db2.gz FKSFPSQAVYNGHP-LBPRGKRZSA-N 2 2 242.363 2.401 20 0 BEADLP c1cc(C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC001339205399 978815793 /nfs/dbraw/zinc/81/57/93/978815793.db2.gz AODHXYKSAZVGTH-OAHLLOKOSA-N 2 2 245.370 2.013 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001180311046 978855491 /nfs/dbraw/zinc/85/54/91/978855491.db2.gz WPDCZTDOKVJGGY-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001180311046 978855496 /nfs/dbraw/zinc/85/54/96/978855496.db2.gz WPDCZTDOKVJGGY-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000070643541 978861944 /nfs/dbraw/zinc/86/19/44/978861944.db2.gz HYTJVFNUNBREOF-VXGBXAGGSA-N 2 2 221.348 2.131 20 0 BEADLP Cc1[nH]c(C[NH+]2CCC3(CCOC3)CC2)c(C)[nH+]1 ZINC001234602131 978869981 /nfs/dbraw/zinc/86/99/81/978869981.db2.gz YLLFCYVEMUIEAO-UHFFFAOYSA-N 2 2 249.358 2.029 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070759948 978891149 /nfs/dbraw/zinc/89/11/49/978891149.db2.gz ZBWRQBUISBNMDK-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC001234656339 978892245 /nfs/dbraw/zinc/89/22/45/978892245.db2.gz YUJRFUIYGSBKBG-CMPLNLGQSA-N 2 2 205.305 2.011 20 0 BEADLP c1ccc(CCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038945 978957654 /nfs/dbraw/zinc/95/76/54/978957654.db2.gz RXDDKICKNCCCRI-JKSUJKDBSA-N 2 2 244.382 2.446 20 0 BEADLP c1ccc(CCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038945 978957658 /nfs/dbraw/zinc/95/76/58/978957658.db2.gz RXDDKICKNCCCRI-JKSUJKDBSA-N 2 2 244.382 2.446 20 0 BEADLP c1cc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)c2[nH]1 ZINC001235044005 978960193 /nfs/dbraw/zinc/96/01/93/978960193.db2.gz IUVSIZOTIZEQQZ-UONOGXRCSA-N 2 2 241.338 2.104 20 0 BEADLP c1cc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)c2[nH]1 ZINC001235044005 978960196 /nfs/dbraw/zinc/96/01/96/978960196.db2.gz IUVSIZOTIZEQQZ-UONOGXRCSA-N 2 2 241.338 2.104 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](Cc1cccc3c1CCCC3)C2 ZINC001235146514 978981522 /nfs/dbraw/zinc/98/15/22/978981522.db2.gz MRMDLLZUNKPDBQ-HOCLYGCPSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1cccc3c1CCCC3)C2 ZINC001235146514 978981528 /nfs/dbraw/zinc/98/15/28/978981528.db2.gz MRMDLLZUNKPDBQ-HOCLYGCPSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235161193 978983451 /nfs/dbraw/zinc/98/34/51/978983451.db2.gz NTLVDJFQAXEKKY-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235161193 978983456 /nfs/dbraw/zinc/98/34/56/978983456.db2.gz NTLVDJFQAXEKKY-DZGCQCFKSA-N 2 2 241.338 2.091 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1C ZINC001235979807 979249819 /nfs/dbraw/zinc/24/98/19/979249819.db2.gz KWQPJGGQIQIYEJ-GJZGRUSLSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1C ZINC001235979807 979249832 /nfs/dbraw/zinc/24/98/32/979249832.db2.gz KWQPJGGQIQIYEJ-GJZGRUSLSA-N 2 2 230.355 2.227 20 0 BEADLP CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981673 979256731 /nfs/dbraw/zinc/25/67/31/979256731.db2.gz RSRKBSIEJLVDQQ-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981673 979256740 /nfs/dbraw/zinc/25/67/40/979256740.db2.gz RSRKBSIEJLVDQQ-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(C)s1 ZINC001235982207 979261635 /nfs/dbraw/zinc/26/16/35/979261635.db2.gz UODQZLPORNJZLS-OLZOCXBDSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(C)s1 ZINC001235982207 979261651 /nfs/dbraw/zinc/26/16/51/979261651.db2.gz UODQZLPORNJZLS-OLZOCXBDSA-N 2 2 236.384 2.288 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982925 979264259 /nfs/dbraw/zinc/26/42/59/979264259.db2.gz XTWXVUFLGAELAR-ZFWWWQNUSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982925 979264272 /nfs/dbraw/zinc/26/42/72/979264272.db2.gz XTWXVUFLGAELAR-ZFWWWQNUSA-N 2 2 241.338 2.091 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235991088 979279102 /nfs/dbraw/zinc/27/91/02/979279102.db2.gz OAGGDQMQWRPWKD-SWLSCSKDSA-N 2 2 248.345 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235991088 979279117 /nfs/dbraw/zinc/27/91/17/979279117.db2.gz OAGGDQMQWRPWKD-SWLSCSKDSA-N 2 2 248.345 2.366 20 0 BEADLP CC[N@H+](Cc1ccc(NC)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008156 979298673 /nfs/dbraw/zinc/29/86/73/979298673.db2.gz DYJPWGIHBGEGIJ-HNNXBMFYSA-N 2 2 247.386 2.302 20 0 BEADLP CC[N@@H+](Cc1ccc(NC)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008156 979298685 /nfs/dbraw/zinc/29/86/85/979298685.db2.gz DYJPWGIHBGEGIJ-HNNXBMFYSA-N 2 2 247.386 2.302 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236015655 979302519 /nfs/dbraw/zinc/30/25/19/979302519.db2.gz AHLZCTZKYXTGPQ-IAQYHMDHSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236015655 979302527 /nfs/dbraw/zinc/30/25/27/979302527.db2.gz AHLZCTZKYXTGPQ-IAQYHMDHSA-N 2 2 241.338 2.009 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1cccc3ccccc31)C2 ZINC001236024867 979318341 /nfs/dbraw/zinc/31/83/41/979318341.db2.gz URFVRXZBVARTRI-GDBMZVCRSA-N 2 2 238.334 2.373 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001236024867 979318357 /nfs/dbraw/zinc/31/83/57/979318357.db2.gz URFVRXZBVARTRI-GDBMZVCRSA-N 2 2 238.334 2.373 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061070 979351330 /nfs/dbraw/zinc/35/13/30/979351330.db2.gz MRHSWYNPAJQQAI-GJZGRUSLSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061070 979351342 /nfs/dbraw/zinc/35/13/42/979351342.db2.gz MRHSWYNPAJQQAI-GJZGRUSLSA-N 2 2 244.382 2.487 20 0 BEADLP [NH3+]CC[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001236073759 979361865 /nfs/dbraw/zinc/36/18/65/979361865.db2.gz WFDOHZGFFKVHSN-UHFFFAOYSA-N 2 2 243.354 2.237 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3c2CCCC3)C[C@@H]1[NH3+] ZINC001236092780 979384262 /nfs/dbraw/zinc/38/42/62/979384262.db2.gz CTPZWWRBMCPQRQ-WBMJQRKESA-N 2 2 244.382 2.344 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3c2CCCC3)C[C@@H]1[NH3+] ZINC001236092780 979384266 /nfs/dbraw/zinc/38/42/66/979384266.db2.gz CTPZWWRBMCPQRQ-WBMJQRKESA-N 2 2 244.382 2.344 20 0 BEADLP CCn1ccc2c1cccc2C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236168163 979421454 /nfs/dbraw/zinc/42/14/54/979421454.db2.gz FTTYMIHNRBXVMW-ZDUSSCGKSA-N 2 2 243.354 2.194 20 0 BEADLP CCn1ccc2c1cccc2C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236168163 979421468 /nfs/dbraw/zinc/42/14/68/979421468.db2.gz FTTYMIHNRBXVMW-ZDUSSCGKSA-N 2 2 243.354 2.194 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001236172631 979430098 /nfs/dbraw/zinc/43/00/98/979430098.db2.gz IQNXWOUAEZHRTI-CQSZACIVSA-N 2 2 241.338 2.010 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001236172631 979430107 /nfs/dbraw/zinc/43/01/07/979430107.db2.gz IQNXWOUAEZHRTI-CQSZACIVSA-N 2 2 241.338 2.010 20 0 BEADLP Nc1ccc(-c2cccc3c2CC[C@H]3[NH3+])c[nH+]1 ZINC001236315527 979527898 /nfs/dbraw/zinc/52/78/98/979527898.db2.gz KOISGZVFKXZNKF-CYBMUJFWSA-N 2 2 225.295 2.277 20 0 BEADLP Nc1ccc(-c2ccc([C@H]3CC[NH2+]C3)cc2)c[nH+]1 ZINC001236318143 979531290 /nfs/dbraw/zinc/53/12/90/979531290.db2.gz YMSWALUNRJCRAE-AWEZNQCLSA-N 2 2 239.322 2.408 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2c1cccc2F ZINC001236864813 979773278 /nfs/dbraw/zinc/77/32/78/979773278.db2.gz FJHGRYIGJHCABX-NSHDSACASA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2c1cccc2F ZINC001236864813 979773291 /nfs/dbraw/zinc/77/32/91/979773291.db2.gz FJHGRYIGJHCABX-NSHDSACASA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1)NCCC2 ZINC001236885110 979781409 /nfs/dbraw/zinc/78/14/09/979781409.db2.gz YRWBCDRSXSDNEX-AWEZNQCLSA-N 2 2 247.386 2.214 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1)NCCC2 ZINC001236885110 979781421 /nfs/dbraw/zinc/78/14/21/979781421.db2.gz YRWBCDRSXSDNEX-AWEZNQCLSA-N 2 2 247.386 2.214 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2cc[nH]c21 ZINC001236909671 979793999 /nfs/dbraw/zinc/79/39/99/979793999.db2.gz VCMJTSTUQFZLJC-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2cc[nH]c21 ZINC001236909671 979794003 /nfs/dbraw/zinc/79/40/03/979794003.db2.gz VCMJTSTUQFZLJC-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP Cc1ccc(O)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC001238098939 980144504 /nfs/dbraw/zinc/14/45/04/980144504.db2.gz IGSROQLBCJWUCQ-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CCC[NH2+]CC1 ZINC001238941443 980381320 /nfs/dbraw/zinc/38/13/20/980381320.db2.gz MFPGQKUIOYAWNP-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP Cc1cc(-c2cncc(C[NH3+])c2)cn2cc[nH+]c12 ZINC001239798711 980938688 /nfs/dbraw/zinc/93/86/88/980938688.db2.gz UANCBRDSSJSLJO-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP C[C@H]([NH3+])c1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240220627 981172584 /nfs/dbraw/zinc/17/25/84/981172584.db2.gz JPGHOAJWDBJAIT-JTQLQIEISA-N 2 2 238.294 2.416 20 0 BEADLP [NH3+]Cc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240511011 981435719 /nfs/dbraw/zinc/43/57/19/981435719.db2.gz YILGOJXEYXKKFM-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC001348851624 981460595 /nfs/dbraw/zinc/46/05/95/981460595.db2.gz DQHIGRSFLOIZIY-VHSXEESVSA-N 2 2 224.373 2.406 20 0 BEADLP C(c1cccn2cc[nH+]c12)=C1CC[NH2+]CC1 ZINC001240876178 981922352 /nfs/dbraw/zinc/92/23/52/981922352.db2.gz UOFVOODDXIASEV-UHFFFAOYSA-N 2 2 213.284 2.101 20 0 BEADLP C(c1c[nH+]c2c(c1)CCCN2)=C1CC[NH2+]CC1 ZINC001240879020 981931084 /nfs/dbraw/zinc/93/10/84/981931084.db2.gz FZMIPJRUSAOCGK-UHFFFAOYSA-N 2 2 229.327 2.207 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205804095 982560789 /nfs/dbraw/zinc/56/07/89/982560789.db2.gz LPONOTANCZVDJV-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205804095 982560795 /nfs/dbraw/zinc/56/07/95/982560795.db2.gz LPONOTANCZVDJV-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP CN(C)c1cc[nH+]c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242020068 983227060 /nfs/dbraw/zinc/22/70/60/983227060.db2.gz KCQCDPYVBBKEFZ-NEPJUHHUSA-N 2 2 229.327 2.055 20 0 BEADLP CCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201637070 983365527 /nfs/dbraw/zinc/36/55/27/983365527.db2.gz QETMEQVWYPNDAB-UHFFFAOYSA-N 2 2 220.316 2.335 20 0 BEADLP c1ccc(CC[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001201603696 983372581 /nfs/dbraw/zinc/37/25/81/983372581.db2.gz MRAJQGZKJOWOBB-UHFFFAOYSA-N 2 2 230.355 2.009 20 0 BEADLP c1ccc(CC[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC001201603696 983372585 /nfs/dbraw/zinc/37/25/85/983372585.db2.gz MRAJQGZKJOWOBB-UHFFFAOYSA-N 2 2 230.355 2.009 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]21 ZINC001201606092 983375487 /nfs/dbraw/zinc/37/54/87/983375487.db2.gz IJZYYHDXBSEGEN-CVEARBPZSA-N 2 2 244.382 2.255 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001201606092 983375508 /nfs/dbraw/zinc/37/55/08/983375508.db2.gz IJZYYHDXBSEGEN-CVEARBPZSA-N 2 2 244.382 2.255 20 0 BEADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2CC2)C1 ZINC001201952032 983520472 /nfs/dbraw/zinc/52/04/72/983520472.db2.gz GBPDSGOBESXJGX-ZDUSSCGKSA-N 2 2 232.327 2.253 20 0 BEADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001201952032 983520481 /nfs/dbraw/zinc/52/04/81/983520481.db2.gz GBPDSGOBESXJGX-ZDUSSCGKSA-N 2 2 232.327 2.253 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)CCC(F)(F)F ZINC001202355853 983636332 /nfs/dbraw/zinc/63/63/32/983636332.db2.gz BZXBUQALNKJUPM-UHFFFAOYSA-N 2 2 235.253 2.157 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)CCC(F)(F)F ZINC001202355853 983636335 /nfs/dbraw/zinc/63/63/35/983636335.db2.gz BZXBUQALNKJUPM-UHFFFAOYSA-N 2 2 235.253 2.157 20 0 BEADLP c1cn(Cc2ccc(C3=CC[NH2+]CC3)cc2)c[nH+]1 ZINC001240466830 984301132 /nfs/dbraw/zinc/30/11/32/984301132.db2.gz IORRTXLHJLCSQG-UHFFFAOYSA-N 2 2 239.322 2.308 20 0 BEADLP FC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000339669778 984321227 /nfs/dbraw/zinc/32/12/27/984321227.db2.gz HIRAEAIMBRVOSN-CYBMUJFWSA-N 2 2 228.355 2.296 20 0 BEADLP FC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000339669778 984321233 /nfs/dbraw/zinc/32/12/33/984321233.db2.gz HIRAEAIMBRVOSN-CYBMUJFWSA-N 2 2 228.355 2.296 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001243069845 984493945 /nfs/dbraw/zinc/49/39/45/984493945.db2.gz MKHOQHKPFJPPOC-UHFFFAOYSA-N 2 2 215.300 2.281 20 0 BEADLP CC[C@H]([NH2+]CC[NH3+])c1ccc(C)c(F)c1 ZINC001578234054 984886133 /nfs/dbraw/zinc/88/61/33/984886133.db2.gz HKJGZNOYSSFXLB-LBPRGKRZSA-N 2 2 210.296 2.134 20 0 BEADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001578241647 984895661 /nfs/dbraw/zinc/89/56/61/984895661.db2.gz GHVVQPKFOGGBKA-SIEMXDPISA-N 2 2 230.355 2.430 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC001578638550 985250065 /nfs/dbraw/zinc/25/00/65/985250065.db2.gz PLVMIJJPBJOONK-SECBINFHSA-N 2 2 244.741 2.219 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000688148510 985571253 /nfs/dbraw/zinc/57/12/53/985571253.db2.gz OIWDRUFSCDRHFD-CHWSQXEVSA-N 2 2 208.349 2.003 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000688148510 985571269 /nfs/dbraw/zinc/57/12/69/985571269.db2.gz OIWDRUFSCDRHFD-CHWSQXEVSA-N 2 2 208.349 2.003 20 0 BEADLP CN(C)c1[nH+]cccc1/C=C/C1CC[NH2+]CC1 ZINC001243897046 985584388 /nfs/dbraw/zinc/58/43/88/985584388.db2.gz MPMAYFSSKUEZIT-AATRIKPKSA-N 2 2 231.343 2.160 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001258200627 985608334 /nfs/dbraw/zinc/60/83/34/985608334.db2.gz UWJUIFCVKVIGPV-RYUDHWBXSA-N 2 2 230.421 2.202 20 0 BEADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)on3)(C1)CCC2 ZINC001276307843 985757298 /nfs/dbraw/zinc/75/72/98/985757298.db2.gz WEYUTMFBPCPMAU-UONOGXRCSA-N 2 2 249.358 2.137 20 0 BEADLP Cc1[nH+]c2c(n1[C@H](C)CC1CC1)CC[NH2+]CC2 ZINC001258460531 985903449 /nfs/dbraw/zinc/90/34/49/985903449.db2.gz DWSSHTBJLNOMCR-SNVBAGLBSA-N 2 2 233.359 2.241 20 0 BEADLP C[NH2+]Cc1cccc(-c2ccc[nH+]c2N)c1F ZINC001244859129 986402904 /nfs/dbraw/zinc/40/29/04/986402904.db2.gz MNYMKCSMAOJEBU-UHFFFAOYSA-N 2 2 231.274 2.189 20 0 BEADLP C[NH2+]Cc1cccc(-c2c[nH+]c(N)c(C)c2)c1F ZINC001244861825 986405410 /nfs/dbraw/zinc/40/54/10/986405410.db2.gz NZNMYGVRMBJJAU-UHFFFAOYSA-N 2 2 245.301 2.498 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)[nH]1 ZINC001137321090 986761761 /nfs/dbraw/zinc/76/17/61/986761761.db2.gz BBPBKPMUDSHZPT-UHFFFAOYSA-N 2 2 235.375 2.158 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)[nH]1 ZINC001137321090 986761771 /nfs/dbraw/zinc/76/17/71/986761771.db2.gz BBPBKPMUDSHZPT-UHFFFAOYSA-N 2 2 235.375 2.158 20 0 BEADLP Cc1cc(-c2ccc3c[nH+]cn3c2)c[nH+]c1N ZINC001245538011 986920128 /nfs/dbraw/zinc/92/01/28/986920128.db2.gz VDWODBYEKXBSIO-UHFFFAOYSA-N 2 2 224.267 2.287 20 0 BEADLP Cc1cc(-c2ccncc2C[NH3+])c2[nH+]ccn2c1 ZINC001245559717 986953759 /nfs/dbraw/zinc/95/37/59/986953759.db2.gz JVBRZIYRYKGGRM-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@H+](C)C1CC[NH+](C)CC1 ZINC001255645858 987045978 /nfs/dbraw/zinc/04/59/78/987045978.db2.gz KWQAEPAOMOZTHI-VIFPVBQESA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255645858 987045991 /nfs/dbraw/zinc/04/59/91/987045991.db2.gz KWQAEPAOMOZTHI-VIFPVBQESA-N 2 2 238.297 2.353 20 0 BEADLP CCCCC[C@H](O)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053269 987344349 /nfs/dbraw/zinc/34/43/49/987344349.db2.gz RBUYHWRCPURNOD-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCC[C@H](O)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053269 987344357 /nfs/dbraw/zinc/34/43/57/987344357.db2.gz RBUYHWRCPURNOD-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246075256 987363800 /nfs/dbraw/zinc/36/38/00/987363800.db2.gz DRELQPFOSNEGSL-CIUDSAMLSA-N 2 2 224.270 2.057 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC(C)(C)C1 ZINC001246080255 987372899 /nfs/dbraw/zinc/37/28/99/987372899.db2.gz DZKHXAGSQVNJMS-YVECIDJPSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@@H](C)C1 ZINC001246085256 987385585 /nfs/dbraw/zinc/38/55/85/987385585.db2.gz HSEKUCWOMMJWBS-QWQWKMKNSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCCCCCC1 ZINC001246086298 987387479 /nfs/dbraw/zinc/38/74/79/987387479.db2.gz KLQJOIRLBVNBKE-OLZOCXBDSA-N 2 2 228.355 2.389 20 0 BEADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088301 987388558 /nfs/dbraw/zinc/38/85/58/987388558.db2.gz SXKQUEIQEVADMZ-XQQFMLRXSA-N 2 2 228.355 2.411 20 0 BEADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088302 987389322 /nfs/dbraw/zinc/38/93/22/987389322.db2.gz SXKQUEIQEVADMZ-YNEHKIRRSA-N 2 2 228.355 2.411 20 0 BEADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001246088199 987391054 /nfs/dbraw/zinc/39/10/54/987391054.db2.gz SFZHBPGQNFGIMR-SDDRHHMPSA-N 2 2 228.355 2.245 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088852 987391710 /nfs/dbraw/zinc/39/17/10/987391710.db2.gz YBJWXNWGECTFQF-RWMBFGLXSA-N 2 2 230.371 2.491 20 0 BEADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246091572 987398958 /nfs/dbraw/zinc/39/89/58/987398958.db2.gz DSVINJBQTZEMJQ-BFHYXJOUSA-N 2 2 242.407 2.169 20 0 BEADLP CCCCC(CCCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246093244 987403327 /nfs/dbraw/zinc/40/33/27/987403327.db2.gz MPWIRYNYZKLSAW-CQSZACIVSA-N 2 2 242.407 2.313 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246094497 987404152 /nfs/dbraw/zinc/40/41/52/987404152.db2.gz YBJWXNWGECTFQF-AGIUHOORSA-N 2 2 230.371 2.491 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC(C)(C)C1 ZINC001246111880 987446856 /nfs/dbraw/zinc/44/68/56/987446856.db2.gz OSIJVSYVKMBJDW-LPWJVIDDSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@H]1C ZINC001246114422 987456512 /nfs/dbraw/zinc/45/65/12/987456512.db2.gz VSOCZIRTRBZEQW-BNDIWNMDSA-N 2 2 228.355 2.101 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246125084 987471232 /nfs/dbraw/zinc/47/12/32/987471232.db2.gz YBQVSARQBGAFTH-FRRDWIJNSA-N 2 2 228.380 2.051 20 0 BEADLP FC(F)c1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246124411 987471929 /nfs/dbraw/zinc/47/19/29/987471929.db2.gz FGDAEPBXKZGPST-GFCCVEGCSA-N 2 2 240.297 2.466 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246172025 987539797 /nfs/dbraw/zinc/53/97/97/987539797.db2.gz YJDBNEUJLKDCFE-CQSZACIVSA-N 2 2 248.370 2.106 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C[NH2+]1 ZINC001246177021 987549533 /nfs/dbraw/zinc/54/95/33/987549533.db2.gz BWQWVGWGZYMWSG-MNOINKQASA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246201756 987600480 /nfs/dbraw/zinc/60/04/80/987600480.db2.gz FZMMVELBOKFMSN-NTZNESFSSA-N 2 2 234.343 2.183 20 0 BEADLP C[C@@H](C[NH2+]C1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC001473932937 987619862 /nfs/dbraw/zinc/61/98/62/987619862.db2.gz GRJXWYRRJHZKAK-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH2+]C1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC001473932937 987619867 /nfs/dbraw/zinc/61/98/67/987619867.db2.gz GRJXWYRRJHZKAK-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246235120 987631388 /nfs/dbraw/zinc/63/13/88/987631388.db2.gz PZCXLODKBHYENT-AWEZNQCLSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246235123 987631937 /nfs/dbraw/zinc/63/19/37/987631937.db2.gz PZCXLODKBHYENT-CQSZACIVSA-N 2 2 248.370 2.106 20 0 BEADLP C=Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246235242 987633250 /nfs/dbraw/zinc/63/32/50/987633250.db2.gz JKPNOELUNHGMGE-CQSZACIVSA-N 2 2 216.328 2.171 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246240958 987643052 /nfs/dbraw/zinc/64/30/52/987643052.db2.gz SYIWPZWGXADWII-PWSUYJOCSA-N 2 2 229.327 2.008 20 0 BEADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC001246240572 987643310 /nfs/dbraw/zinc/64/33/10/987643310.db2.gz QSEGUJJSAUOOAZ-RFGFWPKPSA-N 2 2 242.407 2.024 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)C[NH2+]1 ZINC001246265662 987659913 /nfs/dbraw/zinc/65/99/13/987659913.db2.gz PIRZHRNBMZNOKF-REBRKWNGSA-N 2 2 230.355 2.273 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccncc2)C2CC2)C[NH2+]1 ZINC001246281410 987675577 /nfs/dbraw/zinc/67/55/77/987675577.db2.gz UXXWPXUMOALPRV-DFBGVHRSSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(F)cc2)C[NH2+]1 ZINC001246282636 987676780 /nfs/dbraw/zinc/67/67/80/987676780.db2.gz TWIRTCFGDDNTAR-FBUXBERBSA-N 2 2 248.345 2.412 20 0 BEADLP c1cc2ccncc2c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246298022 987694442 /nfs/dbraw/zinc/69/44/42/987694442.db2.gz ZEPXLUBRSACREE-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335347 987742247 /nfs/dbraw/zinc/74/22/47/987742247.db2.gz HUDHKPVFOHHOAJ-XQQFMLRXSA-N 2 2 244.448 2.496 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ncoc32)C[NH2+]1 ZINC001246332909 987742690 /nfs/dbraw/zinc/74/26/90/987742690.db2.gz OLVIPGVCRRRFHA-PWSUYJOCSA-N 2 2 245.326 2.058 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ncoc32)C[NH2+]1 ZINC001246332910 987742836 /nfs/dbraw/zinc/74/28/36/987742836.db2.gz OLVIPGVCRRRFHA-ZYHUDNBSSA-N 2 2 245.326 2.058 20 0 BEADLP COc1cccc(C(C)(C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246361367 987769068 /nfs/dbraw/zinc/76/90/68/987769068.db2.gz KRVMXYYIOKRSHT-ZDUSSCGKSA-N 2 2 248.370 2.272 20 0 BEADLP FC1(F)CCC2(C[C@H]2[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246382399 987774712 /nfs/dbraw/zinc/77/47/12/987774712.db2.gz DCGVKPDZELXGML-GHMZBOCLSA-N 2 2 244.329 2.296 20 0 BEADLP Cc1ncccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246444724 987801684 /nfs/dbraw/zinc/80/16/84/987801684.db2.gz KXVAZUBWOOFJNI-HIFRSBDPSA-N 2 2 245.370 2.183 20 0 BEADLP Cc1[nH+]ccn1CCCOc1cc[nH+]c(C)c1 ZINC001117668624 987858215 /nfs/dbraw/zinc/85/82/15/987858215.db2.gz MSZMHWBWJXBHDZ-UHFFFAOYSA-N 2 2 231.299 2.364 20 0 BEADLP CCC(CC)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246507228 987860440 /nfs/dbraw/zinc/86/04/40/987860440.db2.gz LTXBJXNZUBMZHC-CYBMUJFWSA-N 2 2 206.333 2.465 20 0 BEADLP [NH3+]C[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC001246508138 987863405 /nfs/dbraw/zinc/86/34/05/987863405.db2.gz POUNCWGMEJFSFG-QWHCGFSZSA-N 2 2 236.384 2.172 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001246535030 987894981 /nfs/dbraw/zinc/89/49/81/987894981.db2.gz UWJIGYNKTMZGKL-UKRRQHHQSA-N 2 2 244.382 2.349 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001246535030 987894988 /nfs/dbraw/zinc/89/49/88/987894988.db2.gz UWJIGYNKTMZGKL-UKRRQHHQSA-N 2 2 244.382 2.349 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001246545151 987918689 /nfs/dbraw/zinc/91/86/89/987918689.db2.gz UHVRFLIMZMVCKR-KGYLQXTDSA-N 2 2 248.395 2.125 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001246545151 987918701 /nfs/dbraw/zinc/91/87/01/987918701.db2.gz UHVRFLIMZMVCKR-KGYLQXTDSA-N 2 2 248.395 2.125 20 0 BEADLP CC(C)CCC[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246548240 987937879 /nfs/dbraw/zinc/93/78/79/987937879.db2.gz JSJCAOXQXYLGHW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246548240 987937891 /nfs/dbraw/zinc/93/78/91/987937891.db2.gz JSJCAOXQXYLGHW-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc2c(c1)C[N@H+]([C@H]1CCCC[NH2+]C1)CC2 ZINC001246551391 987943370 /nfs/dbraw/zinc/94/33/70/987943370.db2.gz YTHJDHIIHYYUFI-INIZCTEOSA-N 2 2 244.382 2.495 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+]([C@H]1CCCC[NH2+]C1)CC2 ZINC001246551391 987943377 /nfs/dbraw/zinc/94/33/77/987943377.db2.gz YTHJDHIIHYYUFI-INIZCTEOSA-N 2 2 244.382 2.495 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001118020379 987987328 /nfs/dbraw/zinc/98/73/28/987987328.db2.gz VKKONSQATZRZSK-SECBINFHSA-N 2 2 228.286 2.052 20 0 BEADLP CSCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572496 988062892 /nfs/dbraw/zinc/06/28/92/988062892.db2.gz AEWBONFVZIFPLG-NEPJUHHUSA-N 2 2 248.411 2.281 20 0 BEADLP CSCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572496 988062909 /nfs/dbraw/zinc/06/29/09/988062909.db2.gz AEWBONFVZIFPLG-NEPJUHHUSA-N 2 2 248.411 2.281 20 0 BEADLP CCCC(CCC)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246576956 988063611 /nfs/dbraw/zinc/06/36/11/988063611.db2.gz QGPIGEMRTIBCAY-WDEREUQCSA-N 2 2 216.344 2.326 20 0 BEADLP CCCC(CCC)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246576956 988063632 /nfs/dbraw/zinc/06/36/32/988063632.db2.gz QGPIGEMRTIBCAY-WDEREUQCSA-N 2 2 216.344 2.326 20 0 BEADLP [NH3+][C@H]1C[C@@H](F)C[N@@H+](C2CCCCCCC2)C1 ZINC001246574774 988081949 /nfs/dbraw/zinc/08/19/49/988081949.db2.gz BIEWMDXMHIEQCN-NEPJUHHUSA-N 2 2 228.355 2.470 20 0 BEADLP [NH3+][C@H]1C[C@@H](F)C[N@H+](C2CCCCCCC2)C1 ZINC001246574774 988081953 /nfs/dbraw/zinc/08/19/53/988081953.db2.gz BIEWMDXMHIEQCN-NEPJUHHUSA-N 2 2 228.355 2.470 20 0 BEADLP CCCC(CCC)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246576953 988094155 /nfs/dbraw/zinc/09/41/55/988094155.db2.gz QGPIGEMRTIBCAY-MNOVXSKESA-N 2 2 216.344 2.326 20 0 BEADLP CCCC(CCC)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246576953 988094171 /nfs/dbraw/zinc/09/41/71/988094171.db2.gz QGPIGEMRTIBCAY-MNOVXSKESA-N 2 2 216.344 2.326 20 0 BEADLP CC[C@H](CC(C)C)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246587757 988142640 /nfs/dbraw/zinc/14/26/40/988142640.db2.gz VJQMPXUSLRMOBU-GRYCIOLGSA-N 2 2 216.344 2.182 20 0 BEADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246587757 988142651 /nfs/dbraw/zinc/14/26/51/988142651.db2.gz VJQMPXUSLRMOBU-GRYCIOLGSA-N 2 2 216.344 2.182 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H](F)C2)C[C@@H]1C ZINC001246589317 988159150 /nfs/dbraw/zinc/15/91/50/988159150.db2.gz ZNEWKSBJNPATQQ-SJHCENCUSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2C[C@H]([NH3+])C[C@H](F)C2)C[C@@H]1C ZINC001246589317 988159154 /nfs/dbraw/zinc/15/91/54/988159154.db2.gz ZNEWKSBJNPATQQ-SJHCENCUSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595836 988188564 /nfs/dbraw/zinc/18/85/64/988188564.db2.gz JANHVGONGNPGEA-WDEREUQCSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595836 988188572 /nfs/dbraw/zinc/18/85/72/988188572.db2.gz JANHVGONGNPGEA-WDEREUQCSA-N 2 2 246.345 2.494 20 0 BEADLP C1[NH2+]CC12C[NH+](C1CCC3(CCCC3)CC1)C2 ZINC001246613620 988243181 /nfs/dbraw/zinc/24/31/81/988243181.db2.gz JWEDUDLNHSSAHI-UHFFFAOYSA-N 2 2 234.387 2.395 20 0 BEADLP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665864 988403090 /nfs/dbraw/zinc/40/30/90/988403090.db2.gz UVBQHDOEKMHLFU-YFKTTZPYSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665864 988403100 /nfs/dbraw/zinc/40/31/00/988403100.db2.gz UVBQHDOEKMHLFU-YFKTTZPYSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775770 988454411 /nfs/dbraw/zinc/45/44/11/988454411.db2.gz LDLUTRWJNWSZJP-BPLDGKMQSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccncc3)C2)C[NH2+]1 ZINC001246775770 988454415 /nfs/dbraw/zinc/45/44/15/988454415.db2.gz LDLUTRWJNWSZJP-BPLDGKMQSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854164 988568764 /nfs/dbraw/zinc/56/87/64/988568764.db2.gz PCNHZNJFIFLZQM-KYOSRNDESA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854164 988568776 /nfs/dbraw/zinc/56/87/76/988568776.db2.gz PCNHZNJFIFLZQM-KYOSRNDESA-N 2 2 248.345 2.180 20 0 BEADLP F[C@H]1CCC2(C1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246853610 988571467 /nfs/dbraw/zinc/57/14/67/988571467.db2.gz NCTPRHTVDXHNBP-STQMWFEESA-N 2 2 240.366 2.343 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246874847 988645612 /nfs/dbraw/zinc/64/56/12/988645612.db2.gz YACZOTQEKGIESG-DOMZBBRYSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246874847 988645617 /nfs/dbraw/zinc/64/56/17/988645617.db2.gz YACZOTQEKGIESG-DOMZBBRYSA-N 2 2 230.355 2.185 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246918068 988718144 /nfs/dbraw/zinc/71/81/44/988718144.db2.gz UHXYERMKOCNOHT-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCc2cccc(F)c2C1 ZINC001246918068 988718161 /nfs/dbraw/zinc/71/81/61/988718161.db2.gz UHXYERMKOCNOHT-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP CO[C@@H]1C[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983892 988816253 /nfs/dbraw/zinc/81/62/53/988816253.db2.gz VTJDXDOLENTBCH-ZOBORPQBSA-N 2 2 242.407 2.105 20 0 BEADLP CO[C@@H]1C[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983892 988816255 /nfs/dbraw/zinc/81/62/55/988816255.db2.gz VTJDXDOLENTBCH-ZOBORPQBSA-N 2 2 242.407 2.105 20 0 BEADLP CCOc1ccc2c(c1)C[N@@H+](CCC[NH2+]C)CC2 ZINC001326310170 989480147 /nfs/dbraw/zinc/48/01/47/989480147.db2.gz WVTMJKFBPWDONS-UHFFFAOYSA-N 2 2 248.370 2.053 20 0 BEADLP CCOc1ccc2c(c1)C[N@H+](CCC[NH2+]C)CC2 ZINC001326310170 989480168 /nfs/dbraw/zinc/48/01/68/989480168.db2.gz WVTMJKFBPWDONS-UHFFFAOYSA-N 2 2 248.370 2.053 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccnc1Cl ZINC001326474625 989571217 /nfs/dbraw/zinc/57/12/17/989571217.db2.gz YXYKESQKPBLMAU-UWVGGRQHSA-N 2 2 241.766 2.384 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC001326473923 989571348 /nfs/dbraw/zinc/57/13/48/989571348.db2.gz QLWSLZYAHFEGIN-IUCAKERBSA-N 2 2 241.404 2.409 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)[nH+]c1 ZINC001121009039 989999599 /nfs/dbraw/zinc/99/95/99/989999599.db2.gz MZXGBMBLCNMHTB-BFHYXJOUSA-N 2 2 245.370 2.396 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]c1 ZINC001121009039 989999604 /nfs/dbraw/zinc/99/96/04/989999604.db2.gz MZXGBMBLCNMHTB-BFHYXJOUSA-N 2 2 245.370 2.396 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnsc1 ZINC001308556244 991034958 /nfs/dbraw/zinc/03/49/58/991034958.db2.gz YBCACTFWZUYMIJ-NSHDSACASA-N 2 2 241.404 2.353 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ocnc1C ZINC001308554695 991035641 /nfs/dbraw/zinc/03/56/41/991035641.db2.gz KJEUZNBAOVWHKN-LLVKDONJSA-N 2 2 239.363 2.193 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001258181771 991083277 /nfs/dbraw/zinc/08/32/77/991083277.db2.gz SXQUSHYCNFIWLD-JSGCOSHPSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001258181771 991083282 /nfs/dbraw/zinc/08/32/82/991083282.db2.gz SXQUSHYCNFIWLD-JSGCOSHPSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258196919 991111079 /nfs/dbraw/zinc/11/10/79/991111079.db2.gz BNTLSOYACQAMAQ-IPYPFGDCSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001258196919 991111083 /nfs/dbraw/zinc/11/10/83/991111083.db2.gz BNTLSOYACQAMAQ-IPYPFGDCSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001258196919 991111089 /nfs/dbraw/zinc/11/10/89/991111089.db2.gz BNTLSOYACQAMAQ-IPYPFGDCSA-N 2 2 248.370 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001258196919 991111092 /nfs/dbraw/zinc/11/10/92/991111092.db2.gz BNTLSOYACQAMAQ-IPYPFGDCSA-N 2 2 248.370 2.237 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001258206503 991122191 /nfs/dbraw/zinc/12/21/91/991122191.db2.gz JBCXHGZCXXUHMK-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001258206503 991122197 /nfs/dbraw/zinc/12/21/97/991122197.db2.gz JBCXHGZCXXUHMK-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001258207163 991126428 /nfs/dbraw/zinc/12/64/28/991126428.db2.gz VJPJKFRXDAALPR-OLZOCXBDSA-N 2 2 244.448 2.448 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001258207163 991126432 /nfs/dbraw/zinc/12/64/32/991126432.db2.gz VJPJKFRXDAALPR-OLZOCXBDSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC001308803255 991140004 /nfs/dbraw/zinc/14/00/04/991140004.db2.gz CGPSEGHXRUPQDQ-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC001308803255 991140008 /nfs/dbraw/zinc/14/00/08/991140008.db2.gz CGPSEGHXRUPQDQ-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CSCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258224085 991160378 /nfs/dbraw/zinc/16/03/78/991160378.db2.gz KPSDJWZUBFXUFH-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001258224085 991160391 /nfs/dbraw/zinc/16/03/91/991160391.db2.gz KPSDJWZUBFXUFH-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001258224085 991160399 /nfs/dbraw/zinc/16/03/99/991160399.db2.gz KPSDJWZUBFXUFH-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CSCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001258224085 991160408 /nfs/dbraw/zinc/16/04/08/991160408.db2.gz KPSDJWZUBFXUFH-XQQFMLRXSA-N 2 2 242.432 2.154 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CCSC ZINC001258225489 991161913 /nfs/dbraw/zinc/16/19/13/991161913.db2.gz YFINFHXSDCOGJS-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CCSC ZINC001258225489 991161922 /nfs/dbraw/zinc/16/19/22/991161922.db2.gz YFINFHXSDCOGJS-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CSC(C)(C)C[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001258320149 991243418 /nfs/dbraw/zinc/24/34/18/991243418.db2.gz MPYHDEVLFLHEAP-NSHDSACASA-N 2 2 241.404 2.393 20 0 BEADLP Cn1c[nH+]cc1C1CC[NH+](C/C=C\Cl)CC1 ZINC001560233694 991431634 /nfs/dbraw/zinc/43/16/34/991431634.db2.gz IVWJOHJTIBKAPM-DJWKRKHSSA-N 2 2 239.750 2.352 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CC1CC1 ZINC001258469355 991437455 /nfs/dbraw/zinc/43/74/55/991437455.db2.gz AQNLDOAIHWTKLS-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CC1CC1 ZINC001258469355 991437462 /nfs/dbraw/zinc/43/74/62/991437462.db2.gz AQNLDOAIHWTKLS-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001258610268 991530563 /nfs/dbraw/zinc/53/05/63/991530563.db2.gz IXZADXWNQRVLFB-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001258610268 991530580 /nfs/dbraw/zinc/53/05/80/991530580.db2.gz IXZADXWNQRVLFB-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@@H]3CCCC[C@@H]31)CC2 ZINC001560772576 991591661 /nfs/dbraw/zinc/59/16/61/991591661.db2.gz AYQCKZSGMAPTNZ-CRWXNKLISA-N 2 2 245.370 2.366 20 0 BEADLP CCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258665382 991605404 /nfs/dbraw/zinc/60/54/04/991605404.db2.gz YBQVSARQBGAFTH-JHJVBQTASA-N 2 2 228.380 2.051 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)C1 ZINC001560943795 991663121 /nfs/dbraw/zinc/66/31/21/991663121.db2.gz ANPVHHCSPLRGQC-GHMZBOCLSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)C1 ZINC001560943795 991663127 /nfs/dbraw/zinc/66/31/27/991663127.db2.gz ANPVHHCSPLRGQC-GHMZBOCLSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC001560969440 991672183 /nfs/dbraw/zinc/67/21/83/991672183.db2.gz OEGRLTSECTYKRC-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC001560969440 991672189 /nfs/dbraw/zinc/67/21/89/991672189.db2.gz OEGRLTSECTYKRC-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258806734 991803975 /nfs/dbraw/zinc/80/39/75/991803975.db2.gz GQNCRGLRICLIHG-GHMZBOCLSA-N 2 2 207.321 2.136 20 0 BEADLP C/C(=C\c1ccccc1)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001574981090 992962165 /nfs/dbraw/zinc/96/21/65/992962165.db2.gz ZRYSPIVZTCPGEP-NTUHNPAUSA-N 2 2 242.366 2.432 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C/C=C\Cl ZINC001575130772 992992089 /nfs/dbraw/zinc/99/20/89/992992089.db2.gz PWUOGOZTBLWGFC-ISGFRBBESA-N 2 2 218.772 2.482 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001576005547 993155225 /nfs/dbraw/zinc/15/52/25/993155225.db2.gz MCSGNCGBXRHXCY-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CC2(CO1)CCCCC2 ZINC001576005547 993155231 /nfs/dbraw/zinc/15/52/31/993155231.db2.gz MCSGNCGBXRHXCY-STQMWFEESA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](CSc1ccccc1)[N@H+](C)CC[NH3+] ZINC001576050166 993167971 /nfs/dbraw/zinc/16/79/71/993167971.db2.gz OTYFDLXKBZZWIZ-LLVKDONJSA-N 2 2 224.373 2.058 20 0 BEADLP C[C@H](CSc1ccccc1)[N@@H+](C)CC[NH3+] ZINC001576050166 993167976 /nfs/dbraw/zinc/16/79/76/993167976.db2.gz OTYFDLXKBZZWIZ-LLVKDONJSA-N 2 2 224.373 2.058 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC000378789479 993203664 /nfs/dbraw/zinc/20/36/64/993203664.db2.gz MWIKNHYMZKAIMQ-LBPRGKRZSA-N 2 2 240.297 2.278 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC000378789479 993203673 /nfs/dbraw/zinc/20/36/73/993203673.db2.gz MWIKNHYMZKAIMQ-LBPRGKRZSA-N 2 2 240.297 2.278 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2nc3ccccc3o2)C[C@@H]1[NH3+] ZINC001576379940 993286858 /nfs/dbraw/zinc/28/68/58/993286858.db2.gz CXIXSHAEDTZCEP-NWDGAFQWSA-N 2 2 245.326 2.043 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](CC[NH3+])C(F)F ZINC001576583162 993356548 /nfs/dbraw/zinc/35/65/48/993356548.db2.gz MZEMDWFCSFLDIP-UTLUCORTSA-N 2 2 234.334 2.383 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333616 993387263 /nfs/dbraw/zinc/38/72/63/993387263.db2.gz CFRFCZPYAZYXQM-WBMJQRKESA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333616 993387266 /nfs/dbraw/zinc/38/72/66/993387266.db2.gz CFRFCZPYAZYXQM-WBMJQRKESA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(N2CCC[C@H]([NH3+])[C@H]2C)nc(C(C)C)[nH+]1 ZINC000381424493 993395393 /nfs/dbraw/zinc/39/53/93/993395393.db2.gz BGGVTPJKXMARKJ-NEPJUHHUSA-N 2 2 248.374 2.224 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\C2CC2)C[N@@H+]1C1CC1 ZINC000382310328 993447926 /nfs/dbraw/zinc/44/79/26/993447926.db2.gz PXABLLWFGHZUAK-XFKWNRGUSA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C/C=C\C2CC2)C[N@H+]1C1CC1 ZINC000382310328 993447931 /nfs/dbraw/zinc/44/79/31/993447931.db2.gz PXABLLWFGHZUAK-XFKWNRGUSA-N 2 2 220.360 2.167 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000389487697 993750460 /nfs/dbraw/zinc/75/04/60/993750460.db2.gz YYHCJJAIWZSMQF-HZSPNIEDSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000389487697 993750468 /nfs/dbraw/zinc/75/04/68/993750468.db2.gz YYHCJJAIWZSMQF-HZSPNIEDSA-N 2 2 240.391 2.016 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccoc1 ZINC000390462296 993789432 /nfs/dbraw/zinc/78/94/32/993789432.db2.gz GINXPMWTZGFHGJ-LBPRGKRZSA-N 2 2 224.348 2.490 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC001620789690 1170130330 /nfs/dbraw/zinc/13/03/30/1170130330.db2.gz GCCVCPLVEOFQCE-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC001620789690 1170130334 /nfs/dbraw/zinc/13/03/34/1170130334.db2.gz GCCVCPLVEOFQCE-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)CC2 ZINC001621269993 1170758288 /nfs/dbraw/zinc/75/82/88/1170758288.db2.gz KTOLJSBKOTXNQX-CRWXNKLISA-N 2 2 245.370 2.366 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001621502012 1170829623 /nfs/dbraw/zinc/82/96/23/1170829623.db2.gz JKIZFGLDPDVOGX-URWSZGRFSA-N 2 2 208.349 2.193 20 0 BEADLP C=C/C=C/CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001621502012 1170829631 /nfs/dbraw/zinc/82/96/31/1170829631.db2.gz JKIZFGLDPDVOGX-URWSZGRFSA-N 2 2 208.349 2.193 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001621502009 1170829513 /nfs/dbraw/zinc/82/95/13/1170829513.db2.gz JKIZFGLDPDVOGX-CFHLNLSMSA-N 2 2 208.349 2.193 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001621502009 1170829524 /nfs/dbraw/zinc/82/95/24/1170829524.db2.gz JKIZFGLDPDVOGX-CFHLNLSMSA-N 2 2 208.349 2.193 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC000037202016 1170936208 /nfs/dbraw/zinc/93/62/08/1170936208.db2.gz GDKOJIWNUMSRAU-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cscn1 ZINC000161212101 538914897 /nfs/dbraw/zinc/91/48/97/538914897.db2.gz KKJZKUTZDNYXPX-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cscn1 ZINC000161212101 538914899 /nfs/dbraw/zinc/91/48/99/538914899.db2.gz KKJZKUTZDNYXPX-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000378684622 346808518 /nfs/dbraw/zinc/80/85/18/346808518.db2.gz DJULHDAOZMMGKZ-FDYHWXHSSA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000378684622 346808522 /nfs/dbraw/zinc/80/85/22/346808522.db2.gz DJULHDAOZMMGKZ-FDYHWXHSSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000161733284 349491911 /nfs/dbraw/zinc/49/19/11/349491911.db2.gz BRCNEILKYAHILI-DZGCQCFKSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000161733284 349491913 /nfs/dbraw/zinc/49/19/13/349491913.db2.gz BRCNEILKYAHILI-DZGCQCFKSA-N 2 2 245.370 2.106 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@@H](C)C1 ZINC000378721931 346813304 /nfs/dbraw/zinc/81/33/04/346813304.db2.gz GQHXOXSOCJSENT-LOWDOPEQSA-N 2 2 228.355 2.197 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@@H](C)C1 ZINC000378721931 346813307 /nfs/dbraw/zinc/81/33/07/346813307.db2.gz GQHXOXSOCJSENT-LOWDOPEQSA-N 2 2 228.355 2.197 20 0 BEADLP CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188283 349500943 /nfs/dbraw/zinc/50/09/43/349500943.db2.gz YBPBQUFGULXXQW-QWHCGFSZSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188283 349500945 /nfs/dbraw/zinc/50/09/45/349500945.db2.gz YBPBQUFGULXXQW-QWHCGFSZSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1cc(C[NH2+]CCCc2c[nH+]ccc2C)on1 ZINC000290346265 178020786 /nfs/dbraw/zinc/02/07/86/178020786.db2.gz LOMJYUJSQODZND-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(C)c1O ZINC000221154378 178025499 /nfs/dbraw/zinc/02/54/99/178025499.db2.gz GZMNOOVRZQESJZ-CQSZACIVSA-N 2 2 248.370 2.193 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(C)c1O ZINC000221154378 178025501 /nfs/dbraw/zinc/02/55/01/178025501.db2.gz GZMNOOVRZQESJZ-CQSZACIVSA-N 2 2 248.370 2.193 20 0 BEADLP CC(C)C(C[NH2+]CCc1cn(C)c[nH+]1)C(C)C ZINC000313285417 398183550 /nfs/dbraw/zinc/18/35/50/398183550.db2.gz SXIDRJQCBYAOIN-UHFFFAOYSA-N 2 2 237.391 2.480 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233396 398165247 /nfs/dbraw/zinc/16/52/47/398165247.db2.gz JSRYUZYNDHKVRL-UXIGCNINSA-N 2 2 230.355 2.262 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000386093877 398197497 /nfs/dbraw/zinc/19/74/97/398197497.db2.gz PUWPBSQETYSXAW-GJZGRUSLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000386093877 398197499 /nfs/dbraw/zinc/19/74/99/398197499.db2.gz PUWPBSQETYSXAW-GJZGRUSLSA-N 2 2 248.370 2.058 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC1(C)C ZINC000336748581 398198568 /nfs/dbraw/zinc/19/85/68/398198568.db2.gz SRNXRLXVJSIHLX-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000127316832 178117264 /nfs/dbraw/zinc/11/72/64/178117264.db2.gz HFOLHNOZHLZZIH-VXGBXAGGSA-N 2 2 248.374 2.082 20 0 BEADLP Cc1cc(NC(=O)CCCCCC[NH3+])cc[nH+]1 ZINC000237744654 178128473 /nfs/dbraw/zinc/12/84/73/178128473.db2.gz STHFTGKRGGCSJV-UHFFFAOYSA-N 2 2 235.331 2.238 20 0 BEADLP Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000137210404 178131297 /nfs/dbraw/zinc/13/12/97/178131297.db2.gz ALIGOIWTSCNEQH-UHFFFAOYSA-N 2 2 247.342 2.060 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CC1CCCC1 ZINC000576291316 365555401 /nfs/dbraw/zinc/55/54/01/365555401.db2.gz HEBUXBAGFBPEPE-UHFFFAOYSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2CC1CCCC1 ZINC000576291316 365555406 /nfs/dbraw/zinc/55/54/06/365555406.db2.gz HEBUXBAGFBPEPE-UHFFFAOYSA-N 2 2 222.376 2.380 20 0 BEADLP Cc1cc(NC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000035121576 178154764 /nfs/dbraw/zinc/15/47/64/178154764.db2.gz AZRLMXQSGJSKAU-UHFFFAOYSA-N 2 2 248.374 2.415 20 0 BEADLP CC(C)C1(C[NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000386479171 398210676 /nfs/dbraw/zinc/21/06/76/398210676.db2.gz WEKNKCPCCYTNLM-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)C1(C[NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000386479171 398210679 /nfs/dbraw/zinc/21/06/79/398210679.db2.gz WEKNKCPCCYTNLM-GFCCVEGCSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(NCC(C)(C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265344180 178155978 /nfs/dbraw/zinc/15/59/78/178155978.db2.gz JHEWIVZPMCCJHY-UHFFFAOYSA-N 2 2 248.374 2.415 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000163635740 538929457 /nfs/dbraw/zinc/92/94/57/538929457.db2.gz SNOXOFYKAKUUBG-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NC[C@@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000053254993 178167675 /nfs/dbraw/zinc/16/76/75/178167675.db2.gz LZGBUYFGEWCHFE-NSHDSACASA-N 2 2 234.347 2.072 20 0 BEADLP Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)nc[nH+]1 ZINC000301225312 178168383 /nfs/dbraw/zinc/16/83/83/178168383.db2.gz FPIZIPLBQJHOCE-CYBMUJFWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1cc(NC[C@H]2CCC[N@H+](C(C)C)C2)nc[nH+]1 ZINC000301225312 178168384 /nfs/dbraw/zinc/16/83/84/178168384.db2.gz FPIZIPLBQJHOCE-CYBMUJFWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000045955165 178188821 /nfs/dbraw/zinc/18/88/21/178188821.db2.gz NJPJJQDXHJIIES-NSHDSACASA-N 2 2 234.347 2.072 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC000336768961 398223677 /nfs/dbraw/zinc/22/36/77/398223677.db2.gz VDMOAPCNANJXCE-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc(N[C@H](C)CC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265376122 178185601 /nfs/dbraw/zinc/18/56/01/178185601.db2.gz PSRPEZVMCBLREV-SNVBAGLBSA-N 2 2 248.374 2.415 20 0 BEADLP CO[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000342314147 136222747 /nfs/dbraw/zinc/22/27/47/136222747.db2.gz MUUKOWYXHNXBJM-NEPJUHHUSA-N 2 2 247.342 2.156 20 0 BEADLP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000275772865 178191038 /nfs/dbraw/zinc/19/10/38/178191038.db2.gz HEZKWKBBHHEDKD-PWSUYJOCSA-N 2 2 246.358 2.131 20 0 BEADLP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000275772865 178191039 /nfs/dbraw/zinc/19/10/39/178191039.db2.gz HEZKWKBBHHEDKD-PWSUYJOCSA-N 2 2 246.358 2.131 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1ccccc1F)C1CC1 ZINC000430564882 398227824 /nfs/dbraw/zinc/22/78/24/398227824.db2.gz DBSYQXVLRZHHJZ-CYBMUJFWSA-N 2 2 222.307 2.043 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)no1 ZINC000340472622 178223195 /nfs/dbraw/zinc/22/31/95/178223195.db2.gz IEKBESJADIQBJN-LLVKDONJSA-N 2 2 239.363 2.221 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)c(C)o1 ZINC000020438357 178224694 /nfs/dbraw/zinc/22/46/94/178224694.db2.gz IDVUFUREIQTTCN-LLVKDONJSA-N 2 2 224.348 2.499 20 0 BEADLP C[NH+](C)Cc1ccc(-c2[nH]cc[nH+]2)cc1F ZINC000649438054 398240157 /nfs/dbraw/zinc/24/01/57/398240157.db2.gz RSOURJBOTVRAMK-UHFFFAOYSA-N 2 2 219.263 2.277 20 0 BEADLP CCC(CC)C[NH2+]CC[N@H+](CC)C1CC1 ZINC000120995640 168360620 /nfs/dbraw/zinc/36/06/20/168360620.db2.gz FDQKKYTZDLFPRU-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)C[NH2+]CC[N@@H+](CC)C1CC1 ZINC000120995640 168360622 /nfs/dbraw/zinc/36/06/22/168360622.db2.gz FDQKKYTZDLFPRU-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CCC(CC)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000123395475 168363308 /nfs/dbraw/zinc/36/33/08/168363308.db2.gz QNWFSYJDDVCIGV-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684001 168363316 /nfs/dbraw/zinc/36/33/16/168363316.db2.gz YMDBUSIPDRNRKS-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684001 168363317 /nfs/dbraw/zinc/36/33/17/168363317.db2.gz YMDBUSIPDRNRKS-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000566500765 323003684 /nfs/dbraw/zinc/00/36/84/323003684.db2.gz QUUNUABATQKPNC-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000566500765 323003685 /nfs/dbraw/zinc/00/36/85/323003685.db2.gz QUUNUABATQKPNC-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336753515 168363717 /nfs/dbraw/zinc/36/37/17/168363717.db2.gz GVUAHABJSSNNSE-DGCLKSJQSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336753515 168363719 /nfs/dbraw/zinc/36/37/19/168363719.db2.gz GVUAHABJSSNNSE-DGCLKSJQSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000162008899 349536804 /nfs/dbraw/zinc/53/68/04/349536804.db2.gz WKXHOEUVZJDGJT-UHFFFAOYSA-N 2 2 207.321 2.146 20 0 BEADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000162008899 349536808 /nfs/dbraw/zinc/53/68/08/349536808.db2.gz WKXHOEUVZJDGJT-UHFFFAOYSA-N 2 2 207.321 2.146 20 0 BEADLP c1cn(CC[NH+]2C[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000162177656 349585874 /nfs/dbraw/zinc/58/58/74/349585874.db2.gz VSUREAJQBDQDDZ-STQMWFEESA-N 2 2 219.332 2.005 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165180573 361835501 /nfs/dbraw/zinc/83/55/01/361835501.db2.gz MGYFFDOLNRCOOZ-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000335604191 136236098 /nfs/dbraw/zinc/23/60/98/136236098.db2.gz XFQWWQNAFBTOSP-VXGBXAGGSA-N 2 2 221.348 2.454 20 0 BEADLP CC[NH+](CC)CCNc1cc(C)cc[nH+]1 ZINC000031572150 342790438 /nfs/dbraw/zinc/79/04/38/342790438.db2.gz AUNNWVPUSFLSFD-UHFFFAOYSA-N 2 2 207.321 2.144 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(C[C@H]2CC[NH2+]C2)cc1 ZINC000630051395 361914739 /nfs/dbraw/zinc/91/47/39/361914739.db2.gz AGPWWKLIMNETHW-CYBMUJFWSA-N 2 2 241.338 2.239 20 0 BEADLP C[C@H]([N@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000583979890 342814875 /nfs/dbraw/zinc/81/48/75/342814875.db2.gz IEUPGTAXPBWIHB-NSHDSACASA-N 2 2 223.364 2.329 20 0 BEADLP C[C@H]([N@@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000583979890 342814876 /nfs/dbraw/zinc/81/48/76/342814876.db2.gz IEUPGTAXPBWIHB-NSHDSACASA-N 2 2 223.364 2.329 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2[C@H](C)CCC[C@H]2C)C[NH2+]1 ZINC000378915636 538975067 /nfs/dbraw/zinc/97/50/67/538975067.db2.gz YWJMNVKJNKBVBU-LPWJVIDDSA-N 2 2 210.365 2.390 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336479884 342807590 /nfs/dbraw/zinc/80/75/90/342807590.db2.gz UAXSQQANBZSOBY-GXFFZTMASA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336479884 342807591 /nfs/dbraw/zinc/80/75/91/342807591.db2.gz UAXSQQANBZSOBY-GXFFZTMASA-N 2 2 233.359 2.435 20 0 BEADLP CC(C)C([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)C ZINC000380276207 538988329 /nfs/dbraw/zinc/98/83/29/538988329.db2.gz XSOWFZCZSLBJJV-NWDGAFQWSA-N 2 2 212.381 2.207 20 0 BEADLP CC(C)C([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000380276207 538988330 /nfs/dbraw/zinc/98/83/30/538988330.db2.gz XSOWFZCZSLBJJV-NWDGAFQWSA-N 2 2 212.381 2.207 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000381647617 539005651 /nfs/dbraw/zinc/00/56/51/539005651.db2.gz CASKNXNUNIVDPF-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000381647617 539005652 /nfs/dbraw/zinc/00/56/52/539005652.db2.gz CASKNXNUNIVDPF-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H]1C(C)C)C1CC1 ZINC000390469229 539022291 /nfs/dbraw/zinc/02/22/91/539022291.db2.gz IQDCEZDQGRNBBW-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H]1C(C)C)C1CC1 ZINC000390469229 539022292 /nfs/dbraw/zinc/02/22/92/539022292.db2.gz IQDCEZDQGRNBBW-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948529 539017076 /nfs/dbraw/zinc/01/70/76/539017076.db2.gz CPSPBZDFXOPRSP-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948529 539017078 /nfs/dbraw/zinc/01/70/78/539017078.db2.gz CPSPBZDFXOPRSP-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccs1 ZINC000035275191 342886811 /nfs/dbraw/zinc/88/68/11/342886811.db2.gz IZOSSOQBIFCSBB-SNVBAGLBSA-N 2 2 221.329 2.123 20 0 BEADLP CC1(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000232886028 342887162 /nfs/dbraw/zinc/88/71/62/342887162.db2.gz VHMGQZSWBYTYBG-CQSZACIVSA-N 2 2 230.355 2.263 20 0 BEADLP CCCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000037249312 342925490 /nfs/dbraw/zinc/92/54/90/342925490.db2.gz YKDMNCCIBGIWMA-GFCCVEGCSA-N 2 2 209.337 2.442 20 0 BEADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000053343743 346887334 /nfs/dbraw/zinc/88/73/34/346887334.db2.gz AUSJIBCVVLFIFE-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000053343743 346887336 /nfs/dbraw/zinc/88/73/36/346887336.db2.gz AUSJIBCVVLFIFE-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CC([NH2+]CCc2cn(C)c[nH+]2)C[C@H](C)C1 ZINC000313272761 259332567 /nfs/dbraw/zinc/33/25/67/259332567.db2.gz RARQJBWMQAXVIR-VXGBXAGGSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCC[N@@H+]1C ZINC000306328385 398339607 /nfs/dbraw/zinc/33/96/07/398339607.db2.gz NIJPXCLERMPTQK-JSGCOSHPSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCC[N@H+]1C ZINC000306328385 398339608 /nfs/dbraw/zinc/33/96/08/398339608.db2.gz NIJPXCLERMPTQK-JSGCOSHPSA-N 2 2 218.344 2.259 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000178067655 536666588 /nfs/dbraw/zinc/66/65/88/536666588.db2.gz JGZVEJLMGPNPBG-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000178067655 536666594 /nfs/dbraw/zinc/66/65/94/536666594.db2.gz JGZVEJLMGPNPBG-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C/C=C\c2ccccc2)c1 ZINC000313268696 259332867 /nfs/dbraw/zinc/33/28/67/259332867.db2.gz WOAQEFUFLDZCPI-YVMONPNESA-N 2 2 241.338 2.266 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000304561413 259335482 /nfs/dbraw/zinc/33/54/82/259335482.db2.gz VUSOMNWEZWHKCP-VXGBXAGGSA-N 2 2 239.388 2.004 20 0 BEADLP Cc1ccc(C[NH2+]CC[NH+]2CCCC2)c(C)c1 ZINC000020126708 342970626 /nfs/dbraw/zinc/97/06/26/342970626.db2.gz BWOQNKMSLBTACR-UHFFFAOYSA-N 2 2 232.371 2.489 20 0 BEADLP CCC1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000309462708 259343348 /nfs/dbraw/zinc/34/33/48/259343348.db2.gz OIXODHFQIDXPQA-UHFFFAOYSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(C)(C)[NH3+] ZINC000576822961 365694635 /nfs/dbraw/zinc/69/46/35/365694635.db2.gz KRSFPPVIPUHUOO-SNVBAGLBSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(C)(C)[NH3+] ZINC000576822961 365694641 /nfs/dbraw/zinc/69/46/41/365694641.db2.gz KRSFPPVIPUHUOO-SNVBAGLBSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000235459466 259343982 /nfs/dbraw/zinc/34/39/82/259343982.db2.gz UZOGNVREASGQQE-BDAKNGLRSA-N 2 2 244.285 2.286 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCC2CC2)C[N@@H+]1C1CC1 ZINC000119909696 343101196 /nfs/dbraw/zinc/10/11/96/343101196.db2.gz XFLGMLADRUFEMF-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCCC2CC2)C[N@H+]1C1CC1 ZINC000119909696 343101199 /nfs/dbraw/zinc/10/11/99/343101199.db2.gz XFLGMLADRUFEMF-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C)CC1 ZINC000029560450 343143965 /nfs/dbraw/zinc/14/39/65/343143965.db2.gz NWZPNLHRKQQSET-UHFFFAOYSA-N 2 2 244.342 2.079 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(C)(C)C2)n1C ZINC000569710430 323038244 /nfs/dbraw/zinc/03/82/44/323038244.db2.gz RJXKXCRQYCYWOX-LLVKDONJSA-N 2 2 221.348 2.397 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000082774853 136277117 /nfs/dbraw/zinc/27/71/17/136277117.db2.gz VGXMVIRELKYXEK-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000082774853 136277118 /nfs/dbraw/zinc/27/71/18/136277118.db2.gz VGXMVIRELKYXEK-CQSZACIVSA-N 2 2 218.344 2.043 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccncc1Cl ZINC000133595803 343191043 /nfs/dbraw/zinc/19/10/43/343191043.db2.gz HHMDIXKSSATFGN-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccncc1Cl ZINC000133595803 343191044 /nfs/dbraw/zinc/19/10/44/343191044.db2.gz HHMDIXKSSATFGN-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP C[N@H+](Cc1cccc2ncccc12)[C@H]1CC[NH2+]C1 ZINC000634687747 343241779 /nfs/dbraw/zinc/24/17/79/343241779.db2.gz YBGGCIZILKIGEW-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1cccc2ncccc12)[C@H]1CC[NH2+]C1 ZINC000634687747 343241780 /nfs/dbraw/zinc/24/17/80/343241780.db2.gz YBGGCIZILKIGEW-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(F)cc1F ZINC000051017528 343242672 /nfs/dbraw/zinc/24/26/72/343242672.db2.gz RLYOUFPWMTYLQR-SKDRFNHKSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(F)cc1F ZINC000051017528 343242673 /nfs/dbraw/zinc/24/26/73/343242673.db2.gz RLYOUFPWMTYLQR-SKDRFNHKSA-N 2 2 240.297 2.276 20 0 BEADLP CC(C)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794136 343290935 /nfs/dbraw/zinc/29/09/35/343290935.db2.gz NIAPICBKDAEFJS-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794136 343290937 /nfs/dbraw/zinc/29/09/37/343290937.db2.gz NIAPICBKDAEFJS-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](CCO)CC1CC1 ZINC000347861372 136293471 /nfs/dbraw/zinc/29/34/71/136293471.db2.gz VHUFSSWLGANOMF-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](CCO)CC1CC1 ZINC000347861372 136293472 /nfs/dbraw/zinc/29/34/72/136293472.db2.gz VHUFSSWLGANOMF-UHFFFAOYSA-N 2 2 248.370 2.027 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)n1 ZINC000335608052 136298732 /nfs/dbraw/zinc/29/87/32/136298732.db2.gz CSKQIQZDEONAFW-UKRRQHHQSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)n1 ZINC000335608052 136298733 /nfs/dbraw/zinc/29/87/33/136298733.db2.gz CSKQIQZDEONAFW-UKRRQHHQSA-N 2 2 247.386 2.271 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccn1 ZINC000037157269 343337515 /nfs/dbraw/zinc/33/75/15/343337515.db2.gz DYABQNMPXYQIRP-NEPJUHHUSA-N 2 2 230.315 2.017 20 0 BEADLP CCC[N@H+](CC(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000070901915 343339160 /nfs/dbraw/zinc/33/91/60/343339160.db2.gz QAHXJQRQLRMJMV-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+](CC(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000070901915 343339161 /nfs/dbraw/zinc/33/91/61/343339161.db2.gz QAHXJQRQLRMJMV-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCOc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000037248626 343340904 /nfs/dbraw/zinc/34/09/04/343340904.db2.gz KYCNEDIGQVEFJX-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1sccc1Cl ZINC000335638528 136303088 /nfs/dbraw/zinc/30/30/88/136303088.db2.gz SYKPBVSULXUFDC-WPRPVWTQSA-N 2 2 244.791 2.489 20 0 BEADLP c1c2ccccc2sc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335643244 136303413 /nfs/dbraw/zinc/30/34/13/136303413.db2.gz NQUDTDMUMVPMLS-LLVKDONJSA-N 2 2 232.352 2.353 20 0 BEADLP Cn1cc[nH+]c1CNc1cc2c(c[nH+]1)CCCC2 ZINC000335659473 136307723 /nfs/dbraw/zinc/30/77/23/136307723.db2.gz KMBAPVSXKIMOLO-UHFFFAOYSA-N 2 2 242.326 2.306 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000348918315 136307773 /nfs/dbraw/zinc/30/77/73/136307773.db2.gz BRKWXGZKQIARMF-UHFFFAOYSA-N 2 2 242.313 2.348 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000348918315 136307774 /nfs/dbraw/zinc/30/77/74/136307774.db2.gz BRKWXGZKQIARMF-UHFFFAOYSA-N 2 2 242.313 2.348 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335661826 136315109 /nfs/dbraw/zinc/31/51/09/136315109.db2.gz UFPLYJLGVXOBSR-KBPBESRZSA-N 2 2 233.359 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335661826 136315110 /nfs/dbraw/zinc/31/51/10/136315110.db2.gz UFPLYJLGVXOBSR-KBPBESRZSA-N 2 2 233.359 2.456 20 0 BEADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000041259972 343417856 /nfs/dbraw/zinc/41/78/56/343417856.db2.gz ZSTKZTYCZZEZOI-AWEZNQCLSA-N 2 2 232.371 2.161 20 0 BEADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000041259972 343417857 /nfs/dbraw/zinc/41/78/57/343417857.db2.gz ZSTKZTYCZZEZOI-AWEZNQCLSA-N 2 2 232.371 2.161 20 0 BEADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000349343463 136342010 /nfs/dbraw/zinc/34/20/10/136342010.db2.gz GLMCOYVWCHBKNG-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000349343463 136342011 /nfs/dbraw/zinc/34/20/11/136342011.db2.gz GLMCOYVWCHBKNG-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000191659571 136363142 /nfs/dbraw/zinc/36/31/42/136363142.db2.gz GPUKWIOIMXUYBG-CYBMUJFWSA-N 2 2 243.310 2.283 20 0 BEADLP Cc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000083985653 343513080 /nfs/dbraw/zinc/51/30/80/343513080.db2.gz HBSKBBXEUGZSRY-CYBMUJFWSA-N 2 2 204.317 2.091 20 0 BEADLP Cc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000083985653 343513083 /nfs/dbraw/zinc/51/30/83/343513083.db2.gz HBSKBBXEUGZSRY-CYBMUJFWSA-N 2 2 204.317 2.091 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000070975910 343579459 /nfs/dbraw/zinc/57/94/59/343579459.db2.gz YFPZSAKCCPPCLG-OAHLLOKOSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000070975910 343579462 /nfs/dbraw/zinc/57/94/62/343579462.db2.gz YFPZSAKCCPPCLG-OAHLLOKOSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)cc1F ZINC000049551718 343602163 /nfs/dbraw/zinc/60/21/63/343602163.db2.gz PPDFFYNXMLABAA-JTQLQIEISA-N 2 2 242.313 2.395 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCOCC12CCCC2 ZINC000388678115 343649288 /nfs/dbraw/zinc/64/92/88/343649288.db2.gz ZMDJVAFFSKKSQM-CYBMUJFWSA-N 2 2 240.391 2.005 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCOCC12CCCC2 ZINC000388678115 343649290 /nfs/dbraw/zinc/64/92/90/343649290.db2.gz ZMDJVAFFSKKSQM-CYBMUJFWSA-N 2 2 240.391 2.005 20 0 BEADLP c1cc(CCC[N@@H+]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000625434955 343736162 /nfs/dbraw/zinc/73/61/62/343736162.db2.gz BFBWUFHTDIETET-UHFFFAOYSA-N 2 2 247.367 2.462 20 0 BEADLP c1cc(CCC[N@H+]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000625434955 343736164 /nfs/dbraw/zinc/73/61/64/343736164.db2.gz BFBWUFHTDIETET-UHFFFAOYSA-N 2 2 247.367 2.462 20 0 BEADLP FC1(F)CC[C@@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625435240 343736406 /nfs/dbraw/zinc/73/64/06/343736406.db2.gz OWCNSWGKYLIFIN-SECBINFHSA-N 2 2 241.285 2.203 20 0 BEADLP FC1(F)CC[C@@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625435240 343736408 /nfs/dbraw/zinc/73/64/08/343736408.db2.gz OWCNSWGKYLIFIN-SECBINFHSA-N 2 2 241.285 2.203 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)CC)C1CCCC1 ZINC000387627451 346969175 /nfs/dbraw/zinc/96/91/75/346969175.db2.gz DMJBUCCXMFJTCQ-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)CC)C1CCCC1 ZINC000387627451 346969179 /nfs/dbraw/zinc/96/91/79/346969179.db2.gz DMJBUCCXMFJTCQ-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000584166978 343767587 /nfs/dbraw/zinc/76/75/87/343767587.db2.gz YBYHDCIARIXDED-KGLIPLIRSA-N 2 2 233.359 2.140 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309163345 346974054 /nfs/dbraw/zinc/97/40/54/346974054.db2.gz HWFJVEYXBYWCPI-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309163345 346974057 /nfs/dbraw/zinc/97/40/57/346974057.db2.gz HWFJVEYXBYWCPI-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[N@H+](C)CCOC ZINC000651695223 537821807 /nfs/dbraw/zinc/82/18/07/537821807.db2.gz BIGKGLUEMXURLB-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000651695223 537821817 /nfs/dbraw/zinc/82/18/17/537821817.db2.gz BIGKGLUEMXURLB-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000336675251 537823746 /nfs/dbraw/zinc/82/37/46/537823746.db2.gz PJGCEAWSSXDQGY-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336726996 537828898 /nfs/dbraw/zinc/82/88/98/537828898.db2.gz BXTKRDIEAPPTBO-RAIGVLPGSA-N 2 2 219.332 2.050 20 0 BEADLP CC[NH+]1CCC([NH2+][C@H]2COc3ccccc32)CC1 ZINC000070528545 343952278 /nfs/dbraw/zinc/95/22/78/343952278.db2.gz PPHKWMLSNLFDFB-AWEZNQCLSA-N 2 2 246.354 2.194 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000336754527 537839078 /nfs/dbraw/zinc/83/90/78/537839078.db2.gz IGXIBTQBEJMFPZ-OLZOCXBDSA-N 2 2 210.365 2.106 20 0 BEADLP CCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000233338129 344070580 /nfs/dbraw/zinc/07/05/80/344070580.db2.gz DYIDPOSKUVWDCS-WCQYABFASA-N 2 2 206.333 2.465 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777902 344072185 /nfs/dbraw/zinc/07/21/85/344072185.db2.gz KTYGKAXAHOKFQE-UPJWGTAASA-N 2 2 240.416 2.051 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777902 344072188 /nfs/dbraw/zinc/07/21/88/344072188.db2.gz KTYGKAXAHOKFQE-UPJWGTAASA-N 2 2 240.416 2.051 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777902 344072189 /nfs/dbraw/zinc/07/21/89/344072189.db2.gz KTYGKAXAHOKFQE-UPJWGTAASA-N 2 2 240.416 2.051 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777902 344072193 /nfs/dbraw/zinc/07/21/93/344072193.db2.gz KTYGKAXAHOKFQE-UPJWGTAASA-N 2 2 240.416 2.051 20 0 BEADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000634732384 344106769 /nfs/dbraw/zinc/10/67/69/344106769.db2.gz FFHXLTYFAWXNLQ-SNVBAGLBSA-N 2 2 239.388 2.011 20 0 BEADLP CC(C)C[C@H](CNc1cc[nH+]cc1F)[NH+](C)C ZINC000641277071 362341231 /nfs/dbraw/zinc/34/12/31/362341231.db2.gz IARCETURQONMOV-LLVKDONJSA-N 2 2 239.338 2.031 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000130267436 344219572 /nfs/dbraw/zinc/21/95/72/344219572.db2.gz IZDPBEOCKZGZAX-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000130263341 344219872 /nfs/dbraw/zinc/21/98/72/344219872.db2.gz NIMFXNOIGWOSKP-XQQFMLRXSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000215645588 349905832 /nfs/dbraw/zinc/90/58/32/349905832.db2.gz IUIATOGHJVVIFP-LLVKDONJSA-N 2 2 236.334 2.055 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC2(C)C)n1C ZINC000573459966 344273879 /nfs/dbraw/zinc/27/38/79/344273879.db2.gz RMXYADDJCAJNLO-LLVKDONJSA-N 2 2 207.321 2.007 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cncs3)C2)[nH]1 ZINC000092071726 344288172 /nfs/dbraw/zinc/28/81/72/344288172.db2.gz GHOOESURNYMXJM-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348300213 537843352 /nfs/dbraw/zinc/84/33/52/537843352.db2.gz GDMWKVQYYCKOHW-GJZGRUSLSA-N 2 2 234.387 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348300213 537843362 /nfs/dbraw/zinc/84/33/62/537843362.db2.gz GDMWKVQYYCKOHW-GJZGRUSLSA-N 2 2 234.387 2.417 20 0 BEADLP C[C@@H](Nc1cc[nH+]cc1F)C(C)(C)C[NH+](C)C ZINC000641393409 362390534 /nfs/dbraw/zinc/39/05/34/362390534.db2.gz HPQVPTQDHNCWOQ-SNVBAGLBSA-N 2 2 239.338 2.031 20 0 BEADLP [NH3+]CC[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000634809721 344394181 /nfs/dbraw/zinc/39/41/81/344394181.db2.gz YVJOZAKNPBWBQI-GFCCVEGCSA-N 2 2 246.358 2.062 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348300214 537844590 /nfs/dbraw/zinc/84/45/90/537844590.db2.gz GDMWKVQYYCKOHW-HUUCEWRRSA-N 2 2 234.387 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348300214 537844599 /nfs/dbraw/zinc/84/45/99/537844599.db2.gz GDMWKVQYYCKOHW-HUUCEWRRSA-N 2 2 234.387 2.417 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1ccccc1Cl ZINC000042437436 344452974 /nfs/dbraw/zinc/45/29/74/344452974.db2.gz BQCPEKCAAXNSCM-UHFFFAOYSA-N 2 2 212.724 2.121 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1ccccc1Cl ZINC000042437436 344452978 /nfs/dbraw/zinc/45/29/78/344452978.db2.gz BQCPEKCAAXNSCM-UHFFFAOYSA-N 2 2 212.724 2.121 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044686556 344544056 /nfs/dbraw/zinc/54/40/56/344544056.db2.gz PITDMVZPJMRPTB-VXGBXAGGSA-N 2 2 210.365 2.391 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044686556 344544058 /nfs/dbraw/zinc/54/40/58/344544058.db2.gz PITDMVZPJMRPTB-VXGBXAGGSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684203 344545205 /nfs/dbraw/zinc/54/52/05/344545205.db2.gz RXOPLWJTDRXTAW-VXGBXAGGSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684203 344545207 /nfs/dbraw/zinc/54/52/07/344545207.db2.gz RXOPLWJTDRXTAW-VXGBXAGGSA-N 2 2 210.365 2.247 20 0 BEADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3F)CC[C@@H]21 ZINC000641444177 362422385 /nfs/dbraw/zinc/42/23/85/362422385.db2.gz PCPRYQZTPOTXTP-AAEUAGOBSA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3F)CC[C@@H]21 ZINC000641444177 362422391 /nfs/dbraw/zinc/42/23/91/362422391.db2.gz PCPRYQZTPOTXTP-AAEUAGOBSA-N 2 2 249.333 2.141 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cc[nH+]cc2F)C[C@@H]1C ZINC000641471060 362438950 /nfs/dbraw/zinc/43/89/50/362438950.db2.gz USXUOMPQHPLUPR-QWRGUYRKSA-N 2 2 237.322 2.140 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cc[nH+]cc2F)C[C@@H]1C ZINC000641471060 362438954 /nfs/dbraw/zinc/43/89/54/362438954.db2.gz USXUOMPQHPLUPR-QWRGUYRKSA-N 2 2 237.322 2.140 20 0 BEADLP Cn1cccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000177590757 344577848 /nfs/dbraw/zinc/57/78/48/344577848.db2.gz KTERDJQMWZRGCM-UHFFFAOYSA-N 2 2 244.342 2.012 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccsc1 ZINC000050338791 344782755 /nfs/dbraw/zinc/78/27/55/344782755.db2.gz LXPGXOXMKRYEHG-NSHDSACASA-N 2 2 224.373 2.495 20 0 BEADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000052920435 344906582 /nfs/dbraw/zinc/90/65/82/344906582.db2.gz WSTSYCYDZRSEGB-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000052920435 344906587 /nfs/dbraw/zinc/90/65/87/344906587.db2.gz WSTSYCYDZRSEGB-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251956397 344907473 /nfs/dbraw/zinc/90/74/73/344907473.db2.gz XGEVPLPXPWGJRK-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251956397 344907475 /nfs/dbraw/zinc/90/74/75/344907475.db2.gz XGEVPLPXPWGJRK-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000385200140 344981541 /nfs/dbraw/zinc/98/15/41/344981541.db2.gz QYHMDURVEVIISZ-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000385200140 344981544 /nfs/dbraw/zinc/98/15/44/344981544.db2.gz QYHMDURVEVIISZ-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000385605735 345004269 /nfs/dbraw/zinc/00/42/69/345004269.db2.gz MNIUDVPXAMYCLD-STQMWFEESA-N 2 2 249.358 2.008 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000385605735 345004273 /nfs/dbraw/zinc/00/42/73/345004273.db2.gz MNIUDVPXAMYCLD-STQMWFEESA-N 2 2 249.358 2.008 20 0 BEADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1F ZINC000641591347 362533691 /nfs/dbraw/zinc/53/36/91/362533691.db2.gz ATUZWTLQRAJJHD-RYUDHWBXSA-N 2 2 249.333 2.284 20 0 BEADLP C[C@H]1CN(c2cc[nH+]cc2F)CC[N@@H+](C2CC2)C1 ZINC000641612784 362545424 /nfs/dbraw/zinc/54/54/24/362545424.db2.gz MJZMSIWNSXNWPE-LLVKDONJSA-N 2 2 249.333 2.141 20 0 BEADLP C[C@H]1CN(c2cc[nH+]cc2F)CC[N@H+](C2CC2)C1 ZINC000641612784 362545427 /nfs/dbraw/zinc/54/54/27/362545427.db2.gz MJZMSIWNSXNWPE-LLVKDONJSA-N 2 2 249.333 2.141 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000235309611 537889018 /nfs/dbraw/zinc/88/90/18/537889018.db2.gz HVJJZBQXKZQDDK-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000235309611 537889026 /nfs/dbraw/zinc/88/90/26/537889026.db2.gz HVJJZBQXKZQDDK-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP FC(F)(F)C1CC[NH+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634991862 345178929 /nfs/dbraw/zinc/17/89/29/345178929.db2.gz UNPWMDVCUDXPOK-UHFFFAOYSA-N 2 2 248.292 2.013 20 0 BEADLP CC(C)C[NH+](CC(C)C)CC12CC(C1)C[NH2+]2 ZINC000634991990 345179012 /nfs/dbraw/zinc/17/90/12/345179012.db2.gz YYJNERVABFOFMY-UHFFFAOYSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@H](C)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993577 345190652 /nfs/dbraw/zinc/19/06/52/345190652.db2.gz YOOQFVKJAXRWSI-IWMBGFJWSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[C@H](C)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993577 345190653 /nfs/dbraw/zinc/19/06/53/345190653.db2.gz YOOQFVKJAXRWSI-IWMBGFJWSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)(C)[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995071 345183861 /nfs/dbraw/zinc/18/38/61/345183861.db2.gz UHZRJBWHPAKXID-LXVYMNJGSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)(C)[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634995071 345183864 /nfs/dbraw/zinc/18/38/64/345183864.db2.gz UHZRJBWHPAKXID-LXVYMNJGSA-N 2 2 222.376 2.106 20 0 BEADLP C([N@@H+]1CCCC[C@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634996680 345191133 /nfs/dbraw/zinc/19/11/33/345191133.db2.gz QNTMBJFXOKGISA-BLZCZZARSA-N 2 2 234.387 2.393 20 0 BEADLP C([N@H+]1CCCC[C@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634996680 345191134 /nfs/dbraw/zinc/19/11/34/345191134.db2.gz QNTMBJFXOKGISA-BLZCZZARSA-N 2 2 234.387 2.393 20 0 BEADLP CCC[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994324 345193333 /nfs/dbraw/zinc/19/33/33/345193333.db2.gz ZHLYCCQPNQOUMX-MOKVOYLWSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634994324 345193334 /nfs/dbraw/zinc/19/33/34/345193334.db2.gz ZHLYCCQPNQOUMX-MOKVOYLWSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000635006383 345210632 /nfs/dbraw/zinc/21/06/32/345210632.db2.gz MIZMFEXBYKPZIC-QXEWZRGKSA-N 2 2 239.388 2.243 20 0 BEADLP Cc1scc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000635022998 345221876 /nfs/dbraw/zinc/22/18/76/345221876.db2.gz QUACPLZNOIASHO-RNCFNFMXSA-N 2 2 238.400 2.453 20 0 BEADLP Nc1cc(C[N@@H+]2CCCC3(CC3)CC2)cc[nH+]1 ZINC000626115401 345331514 /nfs/dbraw/zinc/33/15/14/345331514.db2.gz SBLJURZLHAYWKA-UHFFFAOYSA-N 2 2 231.343 2.260 20 0 BEADLP Nc1cc(C[N@H+]2CCCC3(CC3)CC2)cc[nH+]1 ZINC000626115401 345331517 /nfs/dbraw/zinc/33/15/17/345331517.db2.gz SBLJURZLHAYWKA-UHFFFAOYSA-N 2 2 231.343 2.260 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335602630 345417590 /nfs/dbraw/zinc/41/75/90/345417590.db2.gz ZXTBMSGCNJBWJI-SKDRFNHKSA-N 2 2 219.332 2.045 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335602630 345417592 /nfs/dbraw/zinc/41/75/92/345417592.db2.gz ZXTBMSGCNJBWJI-SKDRFNHKSA-N 2 2 219.332 2.045 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3CCOCC3)C2)[nH]1 ZINC000080960521 345455614 /nfs/dbraw/zinc/45/56/14/345455614.db2.gz CVYQWZREYUCVHQ-ZDUSSCGKSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3CCOCC3)C2)[nH]1 ZINC000080960521 345455616 /nfs/dbraw/zinc/45/56/16/345455616.db2.gz CVYQWZREYUCVHQ-ZDUSSCGKSA-N 2 2 249.358 2.016 20 0 BEADLP C[N@H+](Cc1ccc(F)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159662048 345454763 /nfs/dbraw/zinc/45/47/63/345454763.db2.gz RIGSOYCQLFLKSQ-ZDUSSCGKSA-N 2 2 240.297 2.134 20 0 BEADLP C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159662048 345454767 /nfs/dbraw/zinc/45/47/67/345454767.db2.gz RIGSOYCQLFLKSQ-ZDUSSCGKSA-N 2 2 240.297 2.134 20 0 BEADLP Cc1nc(NCCCn2cc[nH+]c2)c(C)c(C)[nH+]1 ZINC000091424753 345592430 /nfs/dbraw/zinc/59/24/30/345592430.db2.gz AIUWLKQTQWEOJA-UHFFFAOYSA-N 2 2 245.330 2.101 20 0 BEADLP c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c[nH]1 ZINC000093866072 345666503 /nfs/dbraw/zinc/66/65/03/345666503.db2.gz PKCAZPCLPAOSJY-CQSZACIVSA-N 2 2 243.310 2.063 20 0 BEADLP c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c[nH]1 ZINC000093866072 345666504 /nfs/dbraw/zinc/66/65/04/345666504.db2.gz PKCAZPCLPAOSJY-CQSZACIVSA-N 2 2 243.310 2.063 20 0 BEADLP Clc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000216081989 345743228 /nfs/dbraw/zinc/74/32/28/345743228.db2.gz JNJNPCDEIGJTBF-LLVKDONJSA-N 2 2 245.153 2.445 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1OC ZINC000220305368 345745987 /nfs/dbraw/zinc/74/59/87/345745987.db2.gz DAMHFSFJVCCXIN-WDEREUQCSA-N 2 2 222.332 2.083 20 0 BEADLP CC[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000198719517 345727526 /nfs/dbraw/zinc/72/75/26/345727526.db2.gz XMPXXJKWMWSVPJ-KBPBESRZSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000628209773 345808480 /nfs/dbraw/zinc/80/84/80/345808480.db2.gz SXCNPWCVIQQDEC-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP CSCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585659 345788586 /nfs/dbraw/zinc/78/85/86/345788586.db2.gz DGHBYGKSJNIDEJ-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP CSCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585659 345788588 /nfs/dbraw/zinc/78/85/88/345788588.db2.gz DGHBYGKSJNIDEJ-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP CSc1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000641744440 362665453 /nfs/dbraw/zinc/66/54/53/362665453.db2.gz SAYZUFIBVQNAEZ-UHFFFAOYSA-N 2 2 240.372 2.187 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000390681393 346300133 /nfs/dbraw/zinc/30/01/33/346300133.db2.gz ZXVPMFCNHIRAKH-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000390681393 346300136 /nfs/dbraw/zinc/30/01/36/346300136.db2.gz ZXVPMFCNHIRAKH-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C)CC1)[NH+](C)C ZINC000641758400 362689018 /nfs/dbraw/zinc/68/90/18/362689018.db2.gz OOEPYYYEHULEDG-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH2+]Cc1nc2ccccc2o1)C[NH+](C)C ZINC000641757222 362685116 /nfs/dbraw/zinc/68/51/16/362685116.db2.gz VZLDFGJMNZWYDO-NSHDSACASA-N 2 2 247.342 2.115 20 0 BEADLP CSc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)o1 ZINC000641757473 362686954 /nfs/dbraw/zinc/68/69/54/362686954.db2.gz ZXPQQHXQUKEVRI-JTQLQIEISA-N 2 2 242.388 2.289 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358078623 179059460 /nfs/dbraw/zinc/05/94/60/179059460.db2.gz DILMVVGMZRCPTL-DZGCQCFKSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358078623 179059461 /nfs/dbraw/zinc/05/94/61/179059461.db2.gz DILMVVGMZRCPTL-DZGCQCFKSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1cccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358078629 179059490 /nfs/dbraw/zinc/05/94/90/179059490.db2.gz DILMVVGMZRCPTL-ZFWWWQNUSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1cccc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358078629 179059492 /nfs/dbraw/zinc/05/94/92/179059492.db2.gz DILMVVGMZRCPTL-ZFWWWQNUSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1C ZINC000070893168 179071906 /nfs/dbraw/zinc/07/19/06/179071906.db2.gz GOMZJSHDWSBZIK-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1C ZINC000070893168 179071908 /nfs/dbraw/zinc/07/19/08/179071908.db2.gz GOMZJSHDWSBZIK-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000163685966 179093937 /nfs/dbraw/zinc/09/39/37/179093937.db2.gz ULPNOHOHRCEGBY-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000163685966 179093940 /nfs/dbraw/zinc/09/39/40/179093940.db2.gz ULPNOHOHRCEGBY-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000336595273 179099816 /nfs/dbraw/zinc/09/98/16/179099816.db2.gz KKBSNZXOTHTNGO-TZMCWYRMSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000336595273 179099817 /nfs/dbraw/zinc/09/98/17/179099817.db2.gz KKBSNZXOTHTNGO-TZMCWYRMSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1C ZINC000043314314 179101287 /nfs/dbraw/zinc/10/12/87/179101287.db2.gz VOFDGOMXRZYWKF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1C ZINC000043314314 179101290 /nfs/dbraw/zinc/10/12/90/179101290.db2.gz VOFDGOMXRZYWKF-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccn2)[C@H]1C ZINC000641806926 362765079 /nfs/dbraw/zinc/76/50/79/362765079.db2.gz JLXLCNKXZAJLHU-MBNYWOFBSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccn2)[C@H]1C ZINC000641806926 362765084 /nfs/dbraw/zinc/76/50/84/362765084.db2.gz JLXLCNKXZAJLHU-MBNYWOFBSA-N 2 2 233.359 2.029 20 0 BEADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182675281 347103082 /nfs/dbraw/zinc/10/30/82/347103082.db2.gz WJSDOUBUHQFEEW-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182675281 347103085 /nfs/dbraw/zinc/10/30/85/347103085.db2.gz WJSDOUBUHQFEEW-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1cccnc1C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809493 362766143 /nfs/dbraw/zinc/76/61/43/362766143.db2.gz QQADHQOFYCWAET-YUTCNCBUSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccnc1C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809493 362766149 /nfs/dbraw/zinc/76/61/49/362766149.db2.gz QQADHQOFYCWAET-YUTCNCBUSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810746 362766981 /nfs/dbraw/zinc/76/69/81/362766981.db2.gz ZCDMDJFUHVZIGL-NFAWXSAZSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810746 362766986 /nfs/dbraw/zinc/76/69/86/362766986.db2.gz ZCDMDJFUHVZIGL-NFAWXSAZSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810744 362767345 /nfs/dbraw/zinc/76/73/45/362767345.db2.gz ZCDMDJFUHVZIGL-GUTXKFCHSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])nc1 ZINC000641810744 362767352 /nfs/dbraw/zinc/76/73/52/362767352.db2.gz ZCDMDJFUHVZIGL-GUTXKFCHSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccc(N2CC[C@@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000274684755 179122162 /nfs/dbraw/zinc/12/21/62/179122162.db2.gz YDFRUSRVADXGKO-CQSZACIVSA-N 2 2 245.370 2.455 20 0 BEADLP C=Cn1cc(C[NH2+]CCc2cc[nH+]cc2C)cn1 ZINC000580154362 346567752 /nfs/dbraw/zinc/56/77/52/346567752.db2.gz MOGCRXSLZKXJPT-UHFFFAOYSA-N 2 2 242.326 2.019 20 0 BEADLP CC[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580211796 346684704 /nfs/dbraw/zinc/68/47/04/346684704.db2.gz JRYRTROLTPEAIO-WDEREUQCSA-N 2 2 207.321 2.008 20 0 BEADLP CC[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580211796 346684708 /nfs/dbraw/zinc/68/47/08/346684708.db2.gz JRYRTROLTPEAIO-WDEREUQCSA-N 2 2 207.321 2.008 20 0 BEADLP CC[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580211794 346685331 /nfs/dbraw/zinc/68/53/31/346685331.db2.gz JRYRTROLTPEAIO-MNOVXSKESA-N 2 2 207.321 2.008 20 0 BEADLP CC[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580211794 346685332 /nfs/dbraw/zinc/68/53/32/346685332.db2.gz JRYRTROLTPEAIO-MNOVXSKESA-N 2 2 207.321 2.008 20 0 BEADLP Cc1[nH+]ccn1CCCNc1cccc(C)[nH+]1 ZINC000274560363 179145439 /nfs/dbraw/zinc/14/54/39/179145439.db2.gz BVORGDAFXIFRIE-UHFFFAOYSA-N 2 2 230.315 2.397 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004669 370655364 /nfs/dbraw/zinc/65/53/64/370655364.db2.gz SHDLVZOGITZRBL-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004669 370655367 /nfs/dbraw/zinc/65/53/67/370655367.db2.gz SHDLVZOGITZRBL-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309951534 347203489 /nfs/dbraw/zinc/20/34/89/347203489.db2.gz GHYOZUFJFCTCBJ-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309951534 347203492 /nfs/dbraw/zinc/20/34/92/347203492.db2.gz GHYOZUFJFCTCBJ-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CCCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000310038023 347221495 /nfs/dbraw/zinc/22/14/95/347221495.db2.gz VRTNLYPELSOAOZ-VXGBXAGGSA-N 2 2 221.348 2.366 20 0 BEADLP CC1=CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000582107762 347278706 /nfs/dbraw/zinc/27/87/06/347278706.db2.gz KHZYIRPTYVPHIS-GFCCVEGCSA-N 2 2 219.332 2.051 20 0 BEADLP CC1=CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000582107763 347278722 /nfs/dbraw/zinc/27/87/22/347278722.db2.gz KHZYIRPTYVPHIS-LBPRGKRZSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@]2(C)CCOC2)c[nH+]1 ZINC000354352454 187374441 /nfs/dbraw/zinc/37/44/41/187374441.db2.gz POWVEVXUIONSMW-OAHLLOKOSA-N 2 2 248.370 2.339 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000319440560 347397470 /nfs/dbraw/zinc/39/74/70/347397470.db2.gz LKHCBAKLOQNWQS-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000319440560 347397472 /nfs/dbraw/zinc/39/74/72/347397472.db2.gz LKHCBAKLOQNWQS-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000390681395 347425971 /nfs/dbraw/zinc/42/59/71/347425971.db2.gz ZXVPMFCNHIRAKH-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000390681395 347425973 /nfs/dbraw/zinc/42/59/73/347425973.db2.gz ZXVPMFCNHIRAKH-VHSXEESVSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCC1 ZINC000054077594 347436770 /nfs/dbraw/zinc/43/67/70/347436770.db2.gz JDEFDGFRMSONFC-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000380104378 365880548 /nfs/dbraw/zinc/88/05/48/365880548.db2.gz MTRSKSSTLQMQDT-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000380104378 365880552 /nfs/dbraw/zinc/88/05/52/365880552.db2.gz MTRSKSSTLQMQDT-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000380104387 365880986 /nfs/dbraw/zinc/88/09/86/365880986.db2.gz MTRSKSSTLQMQDT-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000380104387 365880990 /nfs/dbraw/zinc/88/09/90/365880990.db2.gz MTRSKSSTLQMQDT-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006396 370658511 /nfs/dbraw/zinc/65/85/11/370658511.db2.gz ZNPJBWJHFFBWQX-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006396 370658518 /nfs/dbraw/zinc/65/85/18/370658518.db2.gz ZNPJBWJHFFBWQX-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)c[nH+]1 ZINC000591866976 347707324 /nfs/dbraw/zinc/70/73/24/347707324.db2.gz LHOYLXQLPFAVGE-KGLIPLIRSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)c[nH+]1 ZINC000591866976 347707325 /nfs/dbraw/zinc/70/73/25/347707325.db2.gz LHOYLXQLPFAVGE-KGLIPLIRSA-N 2 2 249.358 2.089 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)on1 ZINC000591867931 347708333 /nfs/dbraw/zinc/70/83/33/347708333.db2.gz UINWUQHYJKWSLH-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)on1 ZINC000591867931 347708338 /nfs/dbraw/zinc/70/83/38/347708338.db2.gz UINWUQHYJKWSLH-LBPRGKRZSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ccccc1C[C@H]([NH2+]CC[NH+](C)C)C1CC1 ZINC000286920710 179291625 /nfs/dbraw/zinc/29/16/25/179291625.db2.gz FOTKULNXVHYPAQ-INIZCTEOSA-N 2 2 246.398 2.467 20 0 BEADLP CC[C@@H]([NH3+])CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000082579361 347859059 /nfs/dbraw/zinc/85/90/59/347859059.db2.gz KSFPBFMCIPEGMB-SNVBAGLBSA-N 2 2 222.336 2.058 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346089780 179309693 /nfs/dbraw/zinc/30/96/93/179309693.db2.gz WTJHVUHHEDMQMA-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346089780 179309699 /nfs/dbraw/zinc/30/96/99/179309699.db2.gz WTJHVUHHEDMQMA-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042544514 179339663 /nfs/dbraw/zinc/33/96/63/179339663.db2.gz BSPXSDDJBJPGJS-STQMWFEESA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042544514 179339665 /nfs/dbraw/zinc/33/96/65/179339665.db2.gz BSPXSDDJBJPGJS-STQMWFEESA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccn2cc(CSCC[NH+](C)C)[nH+]c12 ZINC000339743467 179356685 /nfs/dbraw/zinc/35/66/85/179356685.db2.gz ZSXJWUKUBPASMR-UHFFFAOYSA-N 2 2 249.383 2.438 20 0 BEADLP CCSCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594611917 348082113 /nfs/dbraw/zinc/08/21/13/348082113.db2.gz PGXTYLZATNFFGA-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594611917 348082116 /nfs/dbraw/zinc/08/21/16/348082116.db2.gz PGXTYLZATNFFGA-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H](CSCCF)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000595009843 348159787 /nfs/dbraw/zinc/15/97/87/348159787.db2.gz DQIQVNDWWIPJON-QWRGUYRKSA-N 2 2 248.411 2.150 20 0 BEADLP C[C@@H](CSCCF)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000595009843 348159790 /nfs/dbraw/zinc/15/97/90/348159790.db2.gz DQIQVNDWWIPJON-QWRGUYRKSA-N 2 2 248.411 2.150 20 0 BEADLP Cc1cccnc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000180579601 179372988 /nfs/dbraw/zinc/37/29/88/179372988.db2.gz LVEINSUHHQWRMV-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CC(C)C1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000054554352 348188697 /nfs/dbraw/zinc/18/86/97/348188697.db2.gz DLEOXFDORZILNU-UHFFFAOYSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@H](C[NH2+]CCc1cc[nH+]cc1C)OC ZINC000397539635 362892690 /nfs/dbraw/zinc/89/26/90/362892690.db2.gz UKZJXZXFWRVXCG-CQSZACIVSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C1(C)CCOCC1 ZINC000290211558 179476097 /nfs/dbraw/zinc/47/60/97/179476097.db2.gz DWISJCOKYMDDRR-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP CC[C@H](CSC)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000597132437 348660797 /nfs/dbraw/zinc/66/07/97/348660797.db2.gz HQDUEQHNANWENZ-LLVKDONJSA-N 2 2 241.404 2.302 20 0 BEADLP CC[C@H](CSC)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000597132437 348660799 /nfs/dbraw/zinc/66/07/99/348660799.db2.gz HQDUEQHNANWENZ-LLVKDONJSA-N 2 2 241.404 2.302 20 0 BEADLP CCSCC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597172580 348669028 /nfs/dbraw/zinc/66/90/28/348669028.db2.gz GXDCSSLCHAPTAW-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000597172580 348669029 /nfs/dbraw/zinc/66/90/29/348669029.db2.gz GXDCSSLCHAPTAW-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597180947 348681578 /nfs/dbraw/zinc/68/15/78/348681578.db2.gz XPAMMDCGXFPOHB-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597180947 348681580 /nfs/dbraw/zinc/68/15/80/348681580.db2.gz XPAMMDCGXFPOHB-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000623825195 348708239 /nfs/dbraw/zinc/70/82/39/348708239.db2.gz YVJUWLLQCXGFOP-UPJWGTAASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000623825195 348708241 /nfs/dbraw/zinc/70/82/41/348708241.db2.gz YVJUWLLQCXGFOP-UPJWGTAASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000623825193 348708330 /nfs/dbraw/zinc/70/83/30/348708330.db2.gz YVJUWLLQCXGFOP-FRRDWIJNSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000623825193 348708331 /nfs/dbraw/zinc/70/83/31/348708331.db2.gz YVJUWLLQCXGFOP-FRRDWIJNSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250349778 349169476 /nfs/dbraw/zinc/16/94/76/349169476.db2.gz RBVZRNSDDVFQJT-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250349778 349169478 /nfs/dbraw/zinc/16/94/78/349169478.db2.gz RBVZRNSDDVFQJT-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000657561502 490284434 /nfs/dbraw/zinc/28/44/34/490284434.db2.gz AXWVCQIDWWKPMK-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000657561502 490284444 /nfs/dbraw/zinc/28/44/44/490284444.db2.gz AXWVCQIDWWKPMK-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCCF ZINC000309163393 350114489 /nfs/dbraw/zinc/11/44/89/350114489.db2.gz HXOXPWHUJXDIIX-UHFFFAOYSA-N 2 2 210.296 2.272 20 0 BEADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cs1 ZINC000036915588 180049387 /nfs/dbraw/zinc/04/93/87/180049387.db2.gz CZKUGVIRPIMIDB-VIFPVBQESA-N 2 2 239.388 2.196 20 0 BEADLP CCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000132032747 191023071 /nfs/dbraw/zinc/02/30/71/191023071.db2.gz PKSSPDURUMOHKV-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP CCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132032747 191023073 /nfs/dbraw/zinc/02/30/73/191023073.db2.gz PKSSPDURUMOHKV-NEPJUHHUSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000132391150 191032238 /nfs/dbraw/zinc/03/22/38/191032238.db2.gz PWAFEZFZEWHTLU-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304556194 350162687 /nfs/dbraw/zinc/16/26/87/350162687.db2.gz KRPSYXSZWCOBNW-REWJHTLYSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304556194 350162689 /nfs/dbraw/zinc/16/26/89/350162689.db2.gz KRPSYXSZWCOBNW-REWJHTLYSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000083390786 350194297 /nfs/dbraw/zinc/19/42/97/350194297.db2.gz WTWCIDRNCRIQRY-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000083390782 350194538 /nfs/dbraw/zinc/19/45/38/350194538.db2.gz WTWCIDRNCRIQRY-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1nc(NCCCCC[NH+]2CCCC2)cc[nH+]1 ZINC000292890621 180198633 /nfs/dbraw/zinc/19/86/33/180198633.db2.gz VTKNAVDJGNOEFX-UHFFFAOYSA-N 2 2 248.374 2.463 20 0 BEADLP Cc1nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000174921558 180202061 /nfs/dbraw/zinc/20/20/61/180202061.db2.gz BQPXMGJXPDAMLY-VXGBXAGGSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1[nH+]cccc1NC1CC[NH+](C2CC2)CC1 ZINC000297792415 180226792 /nfs/dbraw/zinc/22/67/92/180226792.db2.gz WXQVYPUNPMZPKU-UHFFFAOYSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+](CC(F)F)C1CC1 ZINC000269125756 180239688 /nfs/dbraw/zinc/23/96/88/180239688.db2.gz CYKDDXDASCDYEM-UHFFFAOYSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+](CC(F)F)C1CC1 ZINC000269125756 180239690 /nfs/dbraw/zinc/23/96/90/180239690.db2.gz CYKDDXDASCDYEM-UHFFFAOYSA-N 2 2 243.301 2.311 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C ZINC000336550375 180249168 /nfs/dbraw/zinc/24/91/68/180249168.db2.gz SYGRUWOEPIMRNJ-GFCCVEGCSA-N 2 2 221.348 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C ZINC000336550375 180249169 /nfs/dbraw/zinc/24/91/69/180249169.db2.gz SYGRUWOEPIMRNJ-GFCCVEGCSA-N 2 2 221.348 2.456 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(F)F)CC1 ZINC000336687214 180252309 /nfs/dbraw/zinc/25/23/09/180252309.db2.gz GMHCEVDECYVVNY-UHFFFAOYSA-N 2 2 243.301 2.169 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086725159 490417079 /nfs/dbraw/zinc/41/70/79/490417079.db2.gz GNJJLOWUXNZQIM-SKDRFNHKSA-N 2 2 224.735 2.353 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252214264 538085586 /nfs/dbraw/zinc/08/55/86/538085586.db2.gz XFNYCVJQODUTLV-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252214264 538085589 /nfs/dbraw/zinc/08/55/89/538085589.db2.gz XFNYCVJQODUTLV-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1(C)CC1 ZINC000309110282 323318350 /nfs/dbraw/zinc/31/83/50/323318350.db2.gz JKNXUFOIYDXAHX-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1(C)CC1 ZINC000309110282 323318353 /nfs/dbraw/zinc/31/83/53/323318353.db2.gz JKNXUFOIYDXAHX-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427864727 191096949 /nfs/dbraw/zinc/09/69/49/191096949.db2.gz LYKFBKKDTYGXCP-AAEUAGOBSA-N 2 2 233.359 2.366 20 0 BEADLP Cc1ncsc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000228290507 180316359 /nfs/dbraw/zinc/31/63/59/180316359.db2.gz PRBUBWTUBUPDTO-GXSJLCMTSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000228290507 180316363 /nfs/dbraw/zinc/31/63/63/180316363.db2.gz PRBUBWTUBUPDTO-GXSJLCMTSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCCCC1 ZINC000035275237 358456660 /nfs/dbraw/zinc/45/66/60/358456660.db2.gz TYTLSOXXZGNHTD-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@@H](C[N@H+](C)CC[NH2+]C)c1ccccc1 ZINC000162925125 350469932 /nfs/dbraw/zinc/46/99/32/350469932.db2.gz AZRPJXALXOTARP-ZDUSSCGKSA-N 2 2 220.360 2.331 20 0 BEADLP CC[C@@H](C[N@@H+](C)CC[NH2+]C)c1ccccc1 ZINC000162925125 350469938 /nfs/dbraw/zinc/46/99/38/350469938.db2.gz AZRPJXALXOTARP-ZDUSSCGKSA-N 2 2 220.360 2.331 20 0 BEADLP C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000163287525 350514791 /nfs/dbraw/zinc/51/47/91/350514791.db2.gz OGSLGLURDJMZCT-YPMHNXCESA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000163287525 350514794 /nfs/dbraw/zinc/51/47/94/350514794.db2.gz OGSLGLURDJMZCT-YPMHNXCESA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)[C@@H]1C ZINC000070233832 350518178 /nfs/dbraw/zinc/51/81/78/350518178.db2.gz OGAHWHAYQTXYKC-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[C@H](C)[C@@H](C)[NH2+]CC[NH+](C)C ZINC000336645874 350557293 /nfs/dbraw/zinc/55/72/93/350557293.db2.gz CCYMWGOOZUMNOG-NWDGAFQWSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000156702928 191116475 /nfs/dbraw/zinc/11/64/75/191116475.db2.gz DDIDMQIMQRGEHS-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1(C)CC1 ZINC000156702928 191116478 /nfs/dbraw/zinc/11/64/78/191116478.db2.gz DDIDMQIMQRGEHS-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000336677871 350887444 /nfs/dbraw/zinc/88/74/44/350887444.db2.gz CCIOURCLDOOMOZ-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000336677871 350887448 /nfs/dbraw/zinc/88/74/48/350887448.db2.gz CCIOURCLDOOMOZ-RFQIPJPRSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000623572974 363003453 /nfs/dbraw/zinc/00/34/53/363003453.db2.gz TZYQNNRHEUOHEK-ATGSNQNLSA-N 2 2 236.403 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000623572974 363003456 /nfs/dbraw/zinc/00/34/56/363003456.db2.gz TZYQNNRHEUOHEK-ATGSNQNLSA-N 2 2 236.403 2.495 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414792899 351772334 /nfs/dbraw/zinc/77/23/34/351772334.db2.gz JHFMWMPABCMXAO-CYBMUJFWSA-N 2 2 236.359 2.077 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414843588 351830420 /nfs/dbraw/zinc/83/04/20/351830420.db2.gz JRQOHIXASAKHQK-GFCCVEGCSA-N 2 2 236.334 2.230 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CCC[C@H]3CCO3)CC2)[nH]1 ZINC000637988526 351863407 /nfs/dbraw/zinc/86/34/07/351863407.db2.gz XVGMYDSGXVXUCE-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP CCCc1[nH+]ccn1CCCn1cc[nH+]c1C ZINC000270162183 187510692 /nfs/dbraw/zinc/51/06/92/187510692.db2.gz UNMXUGLUEOFINT-UHFFFAOYSA-N 2 2 232.331 2.431 20 0 BEADLP CC1(C)SC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282830762 187519062 /nfs/dbraw/zinc/51/90/62/187519062.db2.gz OAJIGTCRZBNQNU-LLVKDONJSA-N 2 2 247.367 2.318 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000638281026 352117209 /nfs/dbraw/zinc/11/72/09/352117209.db2.gz NATCFJIRZTXEDC-CYBMUJFWSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCSCC1 ZINC000638281026 352117211 /nfs/dbraw/zinc/11/72/11/352117211.db2.gz NATCFJIRZTXEDC-CYBMUJFWSA-N 2 2 242.432 2.204 20 0 BEADLP CC[C@@H](C[NH2+]C[C@@](C)(CC)OC)[NH+]1CCCC1 ZINC000638353525 352167608 /nfs/dbraw/zinc/16/76/08/352167608.db2.gz APBFZMRNCQUGEX-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@H](CC)[NH+]1CCCC1)OC ZINC000638353911 352167702 /nfs/dbraw/zinc/16/77/02/352167702.db2.gz DLLHFQXADYWQDD-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CS[C@H](C)C1)[NH+]1CCCC1 ZINC000638354884 352169391 /nfs/dbraw/zinc/16/93/91/352169391.db2.gz XDVWVTDECNMPOC-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC1(F)F ZINC000638363926 352176027 /nfs/dbraw/zinc/17/60/27/352176027.db2.gz SXGHTMNZZQNKEP-SRVKXCTJSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC1(F)F ZINC000638363926 352176029 /nfs/dbraw/zinc/17/60/29/352176029.db2.gz SXGHTMNZZQNKEP-SRVKXCTJSA-N 2 2 246.345 2.494 20 0 BEADLP CCc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000344442689 538102614 /nfs/dbraw/zinc/10/26/14/538102614.db2.gz RKTNZHZYOLNTEO-XJKSGUPXSA-N 2 2 246.398 2.331 20 0 BEADLP CCc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000344442689 538102617 /nfs/dbraw/zinc/10/26/17/538102617.db2.gz RKTNZHZYOLNTEO-XJKSGUPXSA-N 2 2 246.398 2.331 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@H]1CC1(F)F)C1CC1 ZINC000638478713 352289920 /nfs/dbraw/zinc/28/99/20/352289920.db2.gz LAJQNYABXVIATN-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H]1CC1(F)F)C1CC1 ZINC000638478713 352289923 /nfs/dbraw/zinc/28/99/23/352289923.db2.gz LAJQNYABXVIATN-MWLCHTKSSA-N 2 2 232.318 2.104 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CCC1CCOCC1 ZINC000638586865 352418626 /nfs/dbraw/zinc/41/86/26/352418626.db2.gz WQSNKTJFDCGPDC-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CCC1CCOCC1 ZINC000638586865 352418628 /nfs/dbraw/zinc/41/86/28/352418628.db2.gz WQSNKTJFDCGPDC-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)o2)[C@H](C)C1 ZINC000607957032 352468042 /nfs/dbraw/zinc/46/80/42/352468042.db2.gz RLGDZZRZJQZXHM-RISCZKNCSA-N 2 2 236.359 2.408 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)o2)[C@H](C)C1 ZINC000607957032 352468046 /nfs/dbraw/zinc/46/80/46/352468046.db2.gz RLGDZZRZJQZXHM-RISCZKNCSA-N 2 2 236.359 2.408 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000043324957 352636598 /nfs/dbraw/zinc/63/65/98/352636598.db2.gz WXGBUUFJXVQAJR-GWCFXTLKSA-N 2 2 222.307 2.228 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043326740 352637673 /nfs/dbraw/zinc/63/76/73/352637673.db2.gz VZJFADGTFMELPP-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP CC[N@H+](Cc1occc1C)Cc1cc[nH+]c(N)c1 ZINC000412032081 191241491 /nfs/dbraw/zinc/24/14/91/191241491.db2.gz YQBUIVRGUAMBPR-UHFFFAOYSA-N 2 2 245.326 2.418 20 0 BEADLP CC[N@@H+](Cc1occc1C)Cc1cc[nH+]c(N)c1 ZINC000412032081 191241494 /nfs/dbraw/zinc/24/14/94/191241494.db2.gz YQBUIVRGUAMBPR-UHFFFAOYSA-N 2 2 245.326 2.418 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638782546 352735475 /nfs/dbraw/zinc/73/54/75/352735475.db2.gz ZZQLYYKDINXSOJ-ZHZXCYKASA-N 2 2 234.387 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638782546 352735478 /nfs/dbraw/zinc/73/54/78/352735478.db2.gz ZZQLYYKDINXSOJ-ZHZXCYKASA-N 2 2 234.387 2.105 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000412034374 191247406 /nfs/dbraw/zinc/24/74/06/191247406.db2.gz JSDKRERJZOIQBM-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000412034374 191247409 /nfs/dbraw/zinc/24/74/09/191247409.db2.gz JSDKRERJZOIQBM-UHFFFAOYSA-N 2 2 235.375 2.473 20 0 BEADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCCOC3)CC2)[nH]1 ZINC000334181826 352769843 /nfs/dbraw/zinc/76/98/43/352769843.db2.gz DKGAZZINRHXRAX-GFCCVEGCSA-N 2 2 249.358 2.016 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000334192766 352784409 /nfs/dbraw/zinc/78/44/09/352784409.db2.gz JQFCCRBHAUPEAK-CMPLNLGQSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000334192766 352784413 /nfs/dbraw/zinc/78/44/13/352784413.db2.gz JQFCCRBHAUPEAK-CMPLNLGQSA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000345165590 538105638 /nfs/dbraw/zinc/10/56/38/538105638.db2.gz AYLAUHZZQSZRKY-RYUDHWBXSA-N 2 2 248.374 2.012 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000345165590 538105639 /nfs/dbraw/zinc/10/56/39/538105639.db2.gz AYLAUHZZQSZRKY-RYUDHWBXSA-N 2 2 248.374 2.012 20 0 BEADLP C[C@@H]1CN(c2cc[nH+]cc2Cl)[C@@H](C)C[N@@H+]1C ZINC000334237195 352855588 /nfs/dbraw/zinc/85/55/88/352855588.db2.gz LVCFBGYLRHATNQ-ZJUUUORDSA-N 2 2 239.750 2.264 20 0 BEADLP C[C@@H]1CN(c2cc[nH+]cc2Cl)[C@@H](C)C[N@H+]1C ZINC000334237195 352855590 /nfs/dbraw/zinc/85/55/90/352855590.db2.gz LVCFBGYLRHATNQ-ZJUUUORDSA-N 2 2 239.750 2.264 20 0 BEADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000334243049 352831260 /nfs/dbraw/zinc/83/12/60/352831260.db2.gz QYUNNVZEFPDOOW-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP C[N@H+]1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000334243049 352831265 /nfs/dbraw/zinc/83/12/65/352831265.db2.gz QYUNNVZEFPDOOW-UHFFFAOYSA-N 2 2 245.370 2.142 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332580 352969825 /nfs/dbraw/zinc/96/98/25/352969825.db2.gz QWSQHGPUIAQFCR-ZANVPECISA-N 2 2 240.297 2.005 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332580 352969828 /nfs/dbraw/zinc/96/98/28/352969828.db2.gz QWSQHGPUIAQFCR-ZANVPECISA-N 2 2 240.297 2.005 20 0 BEADLP c1c(C[NH2+]CCC[NH+]2CCCC2)onc1C1CC1 ZINC000638849367 353029116 /nfs/dbraw/zinc/02/91/16/353029116.db2.gz UXFPTPSEZPNTSO-UHFFFAOYSA-N 2 2 249.358 2.128 20 0 BEADLP c1nc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cs1 ZINC000334375822 353032177 /nfs/dbraw/zinc/03/21/77/353032177.db2.gz DWOJHRUZLBAKSP-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)[NH+](C)C ZINC000638865667 353039797 /nfs/dbraw/zinc/03/97/97/353039797.db2.gz KBZLXKMPCICVRO-UONOGXRCSA-N 2 2 246.398 2.331 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)[NH+](C)C ZINC000638865665 353039874 /nfs/dbraw/zinc/03/98/74/353039874.db2.gz KBZLXKMPCICVRO-KBPBESRZSA-N 2 2 246.398 2.331 20 0 BEADLP CCC([NH3+])(CC)CNc1cccc(C)[nH+]1 ZINC000168515176 535195598 /nfs/dbraw/zinc/19/55/98/535195598.db2.gz AKNNVIIFEQEQJJ-UHFFFAOYSA-N 2 2 207.321 2.319 20 0 BEADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000354100631 188062284 /nfs/dbraw/zinc/06/22/84/188062284.db2.gz OICNVSFEBQVUCT-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccco2)C1 ZINC000354100631 188062285 /nfs/dbraw/zinc/06/22/85/188062285.db2.gz OICNVSFEBQVUCT-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000354100631 188062287 /nfs/dbraw/zinc/06/22/87/188062287.db2.gz OICNVSFEBQVUCT-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000354100631 188062289 /nfs/dbraw/zinc/06/22/89/188062289.db2.gz OICNVSFEBQVUCT-CQSZACIVSA-N 2 2 248.370 2.443 20 0 BEADLP C(C[N@@H+]1CC[C@@H](C2CC2)C1)[NH+]1CC[C@@H](C2CC2)C1 ZINC000372341260 188075639 /nfs/dbraw/zinc/07/56/39/188075639.db2.gz ZVYHPUNOKAHNKA-HZPDHXFCSA-N 2 2 248.414 2.450 20 0 BEADLP C(C[N@H+]1CC[C@@H](C2CC2)C1)[NH+]1CC[C@@H](C2CC2)C1 ZINC000372341260 188075640 /nfs/dbraw/zinc/07/56/40/188075640.db2.gz ZVYHPUNOKAHNKA-HZPDHXFCSA-N 2 2 248.414 2.450 20 0 BEADLP Cc1nc(C[NH2+]CC2([NH3+])CCCCC2)cs1 ZINC000049539068 353167963 /nfs/dbraw/zinc/16/79/63/353167963.db2.gz BSCNFSBLIYXPPK-UHFFFAOYSA-N 2 2 239.388 2.203 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000335602627 188161969 /nfs/dbraw/zinc/16/19/69/188161969.db2.gz ZXTBMSGCNJBWJI-BXKDBHETSA-N 2 2 219.332 2.045 20 0 BEADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000335602627 188161970 /nfs/dbraw/zinc/16/19/70/188161970.db2.gz ZXTBMSGCNJBWJI-BXKDBHETSA-N 2 2 219.332 2.045 20 0 BEADLP CC(C)C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000309079254 188166366 /nfs/dbraw/zinc/16/63/66/188166366.db2.gz NTXCSRRWZHTIHT-RWMBFGLXSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183167569 188169755 /nfs/dbraw/zinc/16/97/55/188169755.db2.gz HMSDELJGSKKGON-UHFFFAOYSA-N 2 2 207.321 2.146 20 0 BEADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183167569 188169757 /nfs/dbraw/zinc/16/97/57/188169757.db2.gz HMSDELJGSKKGON-UHFFFAOYSA-N 2 2 207.321 2.146 20 0 BEADLP CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c[nH]1 ZINC000309611442 188169768 /nfs/dbraw/zinc/16/97/68/188169768.db2.gz MSAZWWORUNGLNF-VIFPVBQESA-N 2 2 235.253 2.476 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000309978704 188170522 /nfs/dbraw/zinc/17/05/22/188170522.db2.gz VCJJUOPJEOBHRY-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000309978704 188170523 /nfs/dbraw/zinc/17/05/23/188170523.db2.gz VCJJUOPJEOBHRY-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CCOc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000037678304 358476601 /nfs/dbraw/zinc/47/66/01/358476601.db2.gz NSOHXNXQFHQKTP-UHFFFAOYSA-N 2 2 248.370 2.271 20 0 BEADLP CC[NH+](CC)CCC[NH2+]Cc1cncc(F)c1 ZINC000165233536 353258241 /nfs/dbraw/zinc/25/82/41/353258241.db2.gz YNAWZVCRIZSZFR-UHFFFAOYSA-N 2 2 239.338 2.042 20 0 BEADLP Cc1nocc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336607924 188232181 /nfs/dbraw/zinc/23/21/81/188232181.db2.gz KJDAXQJPKQTDOS-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1nocc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336607924 188232182 /nfs/dbraw/zinc/23/21/82/188232182.db2.gz KJDAXQJPKQTDOS-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1nocc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336607924 188232184 /nfs/dbraw/zinc/23/21/84/188232184.db2.gz KJDAXQJPKQTDOS-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1nocc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336607924 188232186 /nfs/dbraw/zinc/23/21/86/188232186.db2.gz KJDAXQJPKQTDOS-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251780944 353287794 /nfs/dbraw/zinc/28/77/94/353287794.db2.gz MXMCLHOLXLORKD-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@H]1[NH3+] ZINC000251780944 353287797 /nfs/dbraw/zinc/28/77/97/353287797.db2.gz MXMCLHOLXLORKD-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000122802841 324058777 /nfs/dbraw/zinc/05/87/77/324058777.db2.gz WJAYDWJDVBWZJV-SUHUHFCYSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000122802841 324058781 /nfs/dbraw/zinc/05/87/81/324058781.db2.gz WJAYDWJDVBWZJV-SUHUHFCYSA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)C1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639071401 353386778 /nfs/dbraw/zinc/38/67/78/353386778.db2.gz JKDUTXAQXMSXMF-LBPRGKRZSA-N 2 2 233.359 2.224 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000639086060 353434155 /nfs/dbraw/zinc/43/41/55/353434155.db2.gz OBGVNFBWOIDOLJ-CLLJXQQHSA-N 2 2 222.376 2.106 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343306099 353524871 /nfs/dbraw/zinc/52/48/71/353524871.db2.gz UPDMOSXZSHPAFQ-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343306099 353524874 /nfs/dbraw/zinc/52/48/74/353524874.db2.gz UPDMOSXZSHPAFQ-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336778772 353526114 /nfs/dbraw/zinc/52/61/14/353526114.db2.gz MHKKHJVZPWJSIJ-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336778772 353526117 /nfs/dbraw/zinc/52/61/17/353526117.db2.gz MHKKHJVZPWJSIJ-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000128364686 180988295 /nfs/dbraw/zinc/98/82/95/180988295.db2.gz KTDWQMUSSHYTCO-CQSZACIVSA-N 2 2 245.301 2.299 20 0 BEADLP CCSCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231784160 353655223 /nfs/dbraw/zinc/65/52/23/353655223.db2.gz QQXKBRZFQKIJRL-UHFFFAOYSA-N 2 2 238.400 2.200 20 0 BEADLP CCSCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231784160 353655225 /nfs/dbraw/zinc/65/52/25/353655225.db2.gz QQXKBRZFQKIJRL-UHFFFAOYSA-N 2 2 238.400 2.200 20 0 BEADLP C(C1CCC1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000083839922 353719970 /nfs/dbraw/zinc/71/99/70/353719970.db2.gz HCRCMEYOTZQDIE-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP C(C1CCC1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000083839922 353719972 /nfs/dbraw/zinc/71/99/72/353719972.db2.gz HCRCMEYOTZQDIE-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC(F)(F)C1 ZINC000529529573 353737694 /nfs/dbraw/zinc/73/76/94/353737694.db2.gz BZASUSAHEOVBQF-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC(F)(F)C1 ZINC000529529573 353737696 /nfs/dbraw/zinc/73/76/96/353737696.db2.gz BZASUSAHEOVBQF-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP Cc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000343599006 353929979 /nfs/dbraw/zinc/92/99/79/353929979.db2.gz GLWGKNLTJHMKIS-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cn1 ZINC000343599006 353929985 /nfs/dbraw/zinc/92/99/85/353929985.db2.gz GLWGKNLTJHMKIS-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C ZINC000343609638 353932770 /nfs/dbraw/zinc/93/27/70/353932770.db2.gz QBAQXAUOHDVNCT-BHPKHCPMSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C ZINC000343609638 353932772 /nfs/dbraw/zinc/93/27/72/353932772.db2.gz QBAQXAUOHDVNCT-BHPKHCPMSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)nc1 ZINC000343815142 354012514 /nfs/dbraw/zinc/01/25/14/354012514.db2.gz WNADZPSKBHSVBG-ZDUSSCGKSA-N 2 2 244.342 2.012 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)nc1 ZINC000343815141 354012660 /nfs/dbraw/zinc/01/26/60/354012660.db2.gz WNADZPSKBHSVBG-CYBMUJFWSA-N 2 2 244.342 2.012 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC000334568338 354092291 /nfs/dbraw/zinc/09/22/91/354092291.db2.gz YLEACJKTBVANRW-LLVKDONJSA-N 2 2 231.343 2.120 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344339582 354235937 /nfs/dbraw/zinc/23/59/37/354235937.db2.gz YIGSZGPYRZCVHA-IUODEOHRSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344339582 354235942 /nfs/dbraw/zinc/23/59/42/354235942.db2.gz YIGSZGPYRZCVHA-IUODEOHRSA-N 2 2 248.370 2.268 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000344340163 354236408 /nfs/dbraw/zinc/23/64/08/354236408.db2.gz LBRBVOGMLPXWLN-CXGCFGFRSA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000344340163 354236414 /nfs/dbraw/zinc/23/64/14/354236414.db2.gz LBRBVOGMLPXWLN-CXGCFGFRSA-N 2 2 230.355 2.240 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000344348918 354239662 /nfs/dbraw/zinc/23/96/62/354239662.db2.gz IHRAUPPFTSBHPP-KHMAMNHCSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000344348918 354239663 /nfs/dbraw/zinc/23/96/63/354239663.db2.gz IHRAUPPFTSBHPP-KHMAMNHCSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000334645468 354434740 /nfs/dbraw/zinc/43/47/40/354434740.db2.gz HAYPQLPTGBNZMV-CYBMUJFWSA-N 2 2 241.338 2.365 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000334645468 354434742 /nfs/dbraw/zinc/43/47/42/354434742.db2.gz HAYPQLPTGBNZMV-CYBMUJFWSA-N 2 2 241.338 2.365 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C[C@@H]1CC=CCC1)C2 ZINC000334644621 354403001 /nfs/dbraw/zinc/40/30/01/354403001.db2.gz LRVISSFOHKZHRG-NEPJUHHUSA-N 2 2 231.343 2.213 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000334644621 354403005 /nfs/dbraw/zinc/40/30/05/354403005.db2.gz LRVISSFOHKZHRG-NEPJUHHUSA-N 2 2 231.343 2.213 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3CCC3)C2)[nH]1 ZINC000334657506 354452701 /nfs/dbraw/zinc/45/27/01/354452701.db2.gz YDDUKOKKPKFUQJ-LBPRGKRZSA-N 2 2 219.332 2.389 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3CCC3)C2)[nH]1 ZINC000334657506 354452704 /nfs/dbraw/zinc/45/27/04/354452704.db2.gz YDDUKOKKPKFUQJ-LBPRGKRZSA-N 2 2 219.332 2.389 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CCC1(C)C ZINC000334692034 354481607 /nfs/dbraw/zinc/48/16/07/354481607.db2.gz JDRPWWHWCOJSJN-LLVKDONJSA-N 2 2 221.348 2.454 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CCC1(C)C ZINC000334692034 354481609 /nfs/dbraw/zinc/48/16/09/354481609.db2.gz JDRPWWHWCOJSJN-LLVKDONJSA-N 2 2 221.348 2.454 20 0 BEADLP c1[nH]c(C[N@@H+]2CCSC3(CCC3)CC2)c[nH+]1 ZINC000334732583 354531975 /nfs/dbraw/zinc/53/19/75/354531975.db2.gz JTCUAGYRRBCWAS-UHFFFAOYSA-N 2 2 237.372 2.271 20 0 BEADLP c1[nH]c(C[N@H+]2CCSC3(CCC3)CC2)c[nH+]1 ZINC000334732583 354531979 /nfs/dbraw/zinc/53/19/79/354531979.db2.gz JTCUAGYRRBCWAS-UHFFFAOYSA-N 2 2 237.372 2.271 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000334737895 354540068 /nfs/dbraw/zinc/54/00/68/354540068.db2.gz MYWVTGMDYXEQBP-RISCZKNCSA-N 2 2 248.345 2.355 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702084 354494989 /nfs/dbraw/zinc/49/49/89/354494989.db2.gz ILAOVNQNCUQJSQ-XKGSQUFQSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702084 354494991 /nfs/dbraw/zinc/49/49/91/354494991.db2.gz ILAOVNQNCUQJSQ-XKGSQUFQSA-N 2 2 246.345 2.350 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000335135141 354783656 /nfs/dbraw/zinc/78/36/56/354783656.db2.gz ZLGTUOAZNSDGSV-OCCSQVGLSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000335135141 354783661 /nfs/dbraw/zinc/78/36/61/354783661.db2.gz ZLGTUOAZNSDGSV-OCCSQVGLSA-N 2 2 233.359 2.227 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1c(C)cccc1C ZINC000233516268 363404059 /nfs/dbraw/zinc/40/40/59/363404059.db2.gz PRMULOGOYIWXGP-UHFFFAOYSA-N 2 2 206.333 2.003 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)[nH]1 ZINC000346448459 354944257 /nfs/dbraw/zinc/94/42/57/354944257.db2.gz SQXDPVLBXPGSLB-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)[nH]1 ZINC000346448459 354944258 /nfs/dbraw/zinc/94/42/58/354944258.db2.gz SQXDPVLBXPGSLB-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335177642 354947776 /nfs/dbraw/zinc/94/77/76/354947776.db2.gz KKOQTLRPVXJSBH-JSGCOSHPSA-N 2 2 246.354 2.242 20 0 BEADLP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335177640 354947895 /nfs/dbraw/zinc/94/78/95/354947895.db2.gz KKOQTLRPVXJSBH-GXTWGEPZSA-N 2 2 246.354 2.242 20 0 BEADLP CC(C)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000346627630 354997510 /nfs/dbraw/zinc/99/75/10/354997510.db2.gz AGGJNMFRVMGZAL-CQSZACIVSA-N 2 2 248.370 2.254 20 0 BEADLP CC(C)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000346627630 354997512 /nfs/dbraw/zinc/99/75/12/354997512.db2.gz AGGJNMFRVMGZAL-CQSZACIVSA-N 2 2 248.370 2.254 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000346632887 355013656 /nfs/dbraw/zinc/01/36/56/355013656.db2.gz FJCSOFATBRYBSS-TZMCWYRMSA-N 2 2 248.370 2.092 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000346632887 355013660 /nfs/dbraw/zinc/01/36/60/355013660.db2.gz FJCSOFATBRYBSS-TZMCWYRMSA-N 2 2 248.370 2.092 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000335192940 355025950 /nfs/dbraw/zinc/02/59/50/355025950.db2.gz HMRCPCJNTNPNTI-CHWSQXEVSA-N 2 2 237.347 2.041 20 0 BEADLP CC(C)COc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000346690147 355074836 /nfs/dbraw/zinc/07/48/36/355074836.db2.gz SDQLLVSEIYXHQG-AWEZNQCLSA-N 2 2 248.370 2.254 20 0 BEADLP CC(C)COc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000346690147 355074838 /nfs/dbraw/zinc/07/48/38/355074838.db2.gz SDQLLVSEIYXHQG-AWEZNQCLSA-N 2 2 248.370 2.254 20 0 BEADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335181383 355078891 /nfs/dbraw/zinc/07/88/91/355078891.db2.gz PMYBUYFHNLPZKH-RISCZKNCSA-N 2 2 246.354 2.111 20 0 BEADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335182460 355080564 /nfs/dbraw/zinc/08/05/64/355080564.db2.gz UFMNLUMNYJSTNL-DOMZBBRYSA-N 2 2 245.370 2.275 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000335213456 355051053 /nfs/dbraw/zinc/05/10/53/355051053.db2.gz AYBWZMDSPLAJDV-TZMCWYRMSA-N 2 2 218.344 2.316 20 0 BEADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335218983 355058190 /nfs/dbraw/zinc/05/81/90/355058190.db2.gz SNUUBNNJQKODTA-WFASDCNBSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1cccc(OCC[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000346857375 355117570 /nfs/dbraw/zinc/11/75/70/355117570.db2.gz QARAYXYRFORDSU-UHFFFAOYSA-N 2 2 236.359 2.043 20 0 BEADLP Cc1cccc(OCC[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000346857375 355117572 /nfs/dbraw/zinc/11/75/72/355117572.db2.gz QARAYXYRFORDSU-UHFFFAOYSA-N 2 2 236.359 2.043 20 0 BEADLP C[C@H]1CC(C)(C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000335187398 355085951 /nfs/dbraw/zinc/08/59/51/355085951.db2.gz DVVVGAZBNOUQPF-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CC(C)(C)C[N@H+]1CCc1c[nH+]cn1C ZINC000335187398 355085952 /nfs/dbraw/zinc/08/59/52/355085952.db2.gz DVVVGAZBNOUQPF-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@@H+]1CCCC1(C)C)OC ZINC000639243737 355232263 /nfs/dbraw/zinc/23/22/63/355232263.db2.gz ZPVTWQBICCRTEQ-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@@](C)(C[NH2+]CC[N@H+]1CCCC1(C)C)OC ZINC000639243737 355232267 /nfs/dbraw/zinc/23/22/67/355232267.db2.gz ZPVTWQBICCRTEQ-AWEZNQCLSA-N 2 2 242.407 2.266 20 0 BEADLP COC[C@@H](C)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000347637391 355243730 /nfs/dbraw/zinc/24/37/30/355243730.db2.gz LAAOXAFOYVSCAS-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP COC[C@@H](C)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000347637391 355243735 /nfs/dbraw/zinc/24/37/35/355243735.db2.gz LAAOXAFOYVSCAS-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP Cc1cc(NC(C)(C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000413368582 191376881 /nfs/dbraw/zinc/37/68/81/191376881.db2.gz UOCLIKVRPNPPBH-UHFFFAOYSA-N 2 2 248.374 2.415 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000639266392 355325423 /nfs/dbraw/zinc/32/54/23/355325423.db2.gz JQRMKPYMKYJGHK-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000639266392 355325427 /nfs/dbraw/zinc/32/54/27/355325427.db2.gz JQRMKPYMKYJGHK-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP CC[C@@H]1CCC[C@@H](C[NH2+]CC[NH2+]CCOC)C1 ZINC000414867188 191607119 /nfs/dbraw/zinc/60/71/19/191607119.db2.gz BYJJGNBKYOHECQ-ZIAGYGMSSA-N 2 2 242.407 2.028 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H](C)C1 ZINC000335852474 355596751 /nfs/dbraw/zinc/59/67/51/355596751.db2.gz WYEXMFFXPFBSGG-GFCCVEGCSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H](C)C1 ZINC000335852474 355596752 /nfs/dbraw/zinc/59/67/52/355596752.db2.gz WYEXMFFXPFBSGG-GFCCVEGCSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H](C)C1 ZINC000335852476 355596755 /nfs/dbraw/zinc/59/67/55/355596755.db2.gz WYEXMFFXPFBSGG-LBPRGKRZSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H](C)C1 ZINC000335852476 355596756 /nfs/dbraw/zinc/59/67/56/355596756.db2.gz WYEXMFFXPFBSGG-LBPRGKRZSA-N 2 2 221.348 2.314 20 0 BEADLP Fc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000335858667 355603820 /nfs/dbraw/zinc/60/38/20/355603820.db2.gz RLHOULPCXOUGLR-CYBMUJFWSA-N 2 2 245.301 2.127 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639304417 355659174 /nfs/dbraw/zinc/65/91/74/355659174.db2.gz ZKOHDSITLFJZJF-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639304417 355659177 /nfs/dbraw/zinc/65/91/77/355659177.db2.gz ZKOHDSITLFJZJF-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CC3CCC3)CC2)[nH]1 ZINC000335882489 355671842 /nfs/dbraw/zinc/67/18/42/355671842.db2.gz IQUYZJXXCCTYMT-UHFFFAOYSA-N 2 2 219.332 2.389 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639305754 355669206 /nfs/dbraw/zinc/66/92/06/355669206.db2.gz WRYLMWGNDYZXDP-XJFOESAGSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639305754 355669209 /nfs/dbraw/zinc/66/92/09/355669209.db2.gz WRYLMWGNDYZXDP-XJFOESAGSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449768285 202026342 /nfs/dbraw/zinc/02/63/42/202026342.db2.gz BUIQOYNXAQDXLQ-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000449768285 202026344 /nfs/dbraw/zinc/02/63/44/202026344.db2.gz BUIQOYNXAQDXLQ-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000639330336 355747135 /nfs/dbraw/zinc/74/71/35/355747135.db2.gz NZGNPZHIDAMDSF-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C1 ZINC000639330336 355747137 /nfs/dbraw/zinc/74/71/37/355747137.db2.gz NZGNPZHIDAMDSF-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000417350792 191790711 /nfs/dbraw/zinc/79/07/11/191790711.db2.gz BGXNVDINJIEFHF-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000417350597 191791468 /nfs/dbraw/zinc/79/14/68/191791468.db2.gz AKRCLWKFPUBWJP-STQMWFEESA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1C ZINC000639343576 355786567 /nfs/dbraw/zinc/78/65/67/355786567.db2.gz LFAJGRXIROXCEX-RYUDHWBXSA-N 2 2 233.359 2.417 20 0 BEADLP C[C@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1C ZINC000639343576 355786568 /nfs/dbraw/zinc/78/65/68/355786568.db2.gz LFAJGRXIROXCEX-RYUDHWBXSA-N 2 2 233.359 2.417 20 0 BEADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000336023824 134054409 /nfs/dbraw/zinc/05/44/09/134054409.db2.gz XIMBPMFUMXRASB-QWHCGFSZSA-N 2 2 233.359 2.394 20 0 BEADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000336023824 134054410 /nfs/dbraw/zinc/05/44/10/134054410.db2.gz XIMBPMFUMXRASB-QWHCGFSZSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1F ZINC000216042053 355802430 /nfs/dbraw/zinc/80/24/30/355802430.db2.gz SKDAFQQLRFDGGE-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1F ZINC000216042053 355802433 /nfs/dbraw/zinc/80/24/33/355802433.db2.gz SKDAFQQLRFDGGE-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192391023 356182633 /nfs/dbraw/zinc/18/26/33/356182633.db2.gz IRDQBUQTALAYGG-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192391020 356182885 /nfs/dbraw/zinc/18/28/85/356182885.db2.gz IRDQBUQTALAYGG-NEPJUHHUSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290929 192200911 /nfs/dbraw/zinc/20/09/11/192200911.db2.gz MQCWOTXBMMLLEV-JQWIXIFHSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290929 192200914 /nfs/dbraw/zinc/20/09/14/192200914.db2.gz MQCWOTXBMMLLEV-JQWIXIFHSA-N 2 2 249.358 2.111 20 0 BEADLP COc1cccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420350615 192218112 /nfs/dbraw/zinc/21/81/12/192218112.db2.gz HJWHCLHNVVMMTN-SUNKGSAMSA-N 2 2 234.343 2.178 20 0 BEADLP COc1cccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000420350615 192218114 /nfs/dbraw/zinc/21/81/14/192218114.db2.gz HJWHCLHNVVMMTN-SUNKGSAMSA-N 2 2 234.343 2.178 20 0 BEADLP CCc1noc(C)c1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420367488 192225946 /nfs/dbraw/zinc/22/59/46/192225946.db2.gz SOAYYWQKFYXLNU-GFCCVEGCSA-N 2 2 239.363 2.008 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420367700 192226034 /nfs/dbraw/zinc/22/60/34/192226034.db2.gz NCWAIHPWYXDSAC-VNHYZAJKSA-N 2 2 232.371 2.471 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Cl ZINC000420372127 192229593 /nfs/dbraw/zinc/22/95/93/192229593.db2.gz LCDXNXHZXFHSDR-RKDXNWHRSA-N 2 2 212.724 2.338 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)c(C)n1 ZINC000420327219 192229875 /nfs/dbraw/zinc/22/98/75/192229875.db2.gz LBEXGSLPFYLVSQ-UHFFFAOYSA-N 2 2 233.359 2.012 20 0 BEADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)c(C)n1 ZINC000420327219 192229876 /nfs/dbraw/zinc/22/98/76/192229876.db2.gz LBEXGSLPFYLVSQ-UHFFFAOYSA-N 2 2 233.359 2.012 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Cl ZINC000420372126 192230363 /nfs/dbraw/zinc/23/03/63/192230363.db2.gz LCDXNXHZXFHSDR-IUCAKERBSA-N 2 2 212.724 2.338 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000420362852 192223758 /nfs/dbraw/zinc/22/37/58/192223758.db2.gz JABVGAWIPKCDKQ-UHIISALHSA-N 2 2 236.334 2.302 20 0 BEADLP Cc1ccc(SCC[N@H+](C)CC[NH3+])cc1C ZINC000420377013 192231537 /nfs/dbraw/zinc/23/15/37/192231537.db2.gz KLEMEISMJSNIEK-UHFFFAOYSA-N 2 2 238.400 2.286 20 0 BEADLP Cc1ccc(SCC[N@@H+](C)CC[NH3+])cc1C ZINC000420377013 192231540 /nfs/dbraw/zinc/23/15/40/192231540.db2.gz KLEMEISMJSNIEK-UHFFFAOYSA-N 2 2 238.400 2.286 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(C)n1 ZINC000420374418 192232057 /nfs/dbraw/zinc/23/20/57/192232057.db2.gz RYAHVZIKBMHIOP-WDBKCZKBSA-N 2 2 247.386 2.175 20 0 BEADLP CC[C@H]([NH2+]CC[NH3+])c1ccccc1OC(F)F ZINC000420373140 192232156 /nfs/dbraw/zinc/23/21/56/192232156.db2.gz MBYMQTPZDFCNSN-JTQLQIEISA-N 2 2 244.285 2.287 20 0 BEADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC[NH3+] ZINC000420374535 192232297 /nfs/dbraw/zinc/23/22/97/192232297.db2.gz NYTSCYHOKDOKFU-OCCSQVGLSA-N 2 2 248.370 2.427 20 0 BEADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC[NH3+] ZINC000420374535 192232298 /nfs/dbraw/zinc/23/22/98/192232298.db2.gz NYTSCYHOKDOKFU-OCCSQVGLSA-N 2 2 248.370 2.427 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420377784 192233818 /nfs/dbraw/zinc/23/38/18/192233818.db2.gz WQADOBZICDLNSK-GZBFAFLISA-N 2 2 232.371 2.471 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771265 491091742 /nfs/dbraw/zinc/09/17/42/491091742.db2.gz XXGXPMWIWXRZFJ-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000087771265 491091744 /nfs/dbraw/zinc/09/17/44/491091744.db2.gz XXGXPMWIWXRZFJ-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@]2(C)CO)c(C)[nH+]1 ZINC000639585893 356504427 /nfs/dbraw/zinc/50/44/27/356504427.db2.gz XGYSDRCYULPYCL-OAHLLOKOSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@]2(C)CO)c(C)[nH+]1 ZINC000639585893 356504429 /nfs/dbraw/zinc/50/44/29/356504429.db2.gz XGYSDRCYULPYCL-OAHLLOKOSA-N 2 2 248.370 2.354 20 0 BEADLP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422979414 192516188 /nfs/dbraw/zinc/51/61/88/192516188.db2.gz MQXRAXVJWATNNW-JHTAHENJSA-N 2 2 230.355 2.430 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(C)[nH+]1 ZINC000639685689 356600673 /nfs/dbraw/zinc/60/06/73/356600673.db2.gz LQQMXPNBHUINOT-OCCSQVGLSA-N 2 2 248.370 2.352 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423051763 192553565 /nfs/dbraw/zinc/55/35/65/192553565.db2.gz OZDLEKZUIDHWCI-YIZRAAEISA-N 2 2 224.270 2.057 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+]2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000378915456 538501710 /nfs/dbraw/zinc/50/17/10/538501710.db2.gz YWJMNVKJNKBVBU-FVCCEPFGSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+]2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000378915456 538501713 /nfs/dbraw/zinc/50/17/13/538501713.db2.gz YWJMNVKJNKBVBU-FVCCEPFGSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@H](CCC[NH3+])[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000423133144 192579732 /nfs/dbraw/zinc/57/97/32/192579732.db2.gz VNVMJSQBDKZATO-APPZFPTMSA-N 2 2 224.270 2.044 20 0 BEADLP CCc1cc(NCCc2cc[nH+]cc2C)cc[nH+]1 ZINC000450400914 202153766 /nfs/dbraw/zinc/15/37/66/202153766.db2.gz FGNVDBNCBDIJQE-UHFFFAOYSA-N 2 2 241.338 2.424 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000567343946 538666524 /nfs/dbraw/zinc/66/65/24/538666524.db2.gz CGMHWOZYCXKROB-SWLSCSKDSA-N 2 2 248.370 2.234 20 0 BEADLP CC(C)Cc1ncc(C[N@H+](C)CCC[NH3+])s1 ZINC000578192468 366378113 /nfs/dbraw/zinc/37/81/13/366378113.db2.gz RNJIMXKZQQXQGX-UHFFFAOYSA-N 2 2 241.404 2.122 20 0 BEADLP CC(C)Cc1ncc(C[N@@H+](C)CCC[NH3+])s1 ZINC000578192468 366378117 /nfs/dbraw/zinc/37/81/17/366378117.db2.gz RNJIMXKZQQXQGX-UHFFFAOYSA-N 2 2 241.404 2.122 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000358507101 356869926 /nfs/dbraw/zinc/86/99/26/356869926.db2.gz NCIWHBKMUFRJGW-JTQLQIEISA-N 2 2 230.315 2.218 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000358507102 356870023 /nfs/dbraw/zinc/87/00/23/356870023.db2.gz NCIWHBKMUFRJGW-SNVBAGLBSA-N 2 2 230.315 2.218 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155853329 538736392 /nfs/dbraw/zinc/73/63/92/538736392.db2.gz IARFXIMQCRYLBA-NWDGAFQWSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155853329 538736401 /nfs/dbraw/zinc/73/64/01/538736401.db2.gz IARFXIMQCRYLBA-NWDGAFQWSA-N 2 2 238.400 2.363 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000359303845 356887855 /nfs/dbraw/zinc/88/78/55/356887855.db2.gz NRBBRYKGNYGMPU-SLEUVZQESA-N 2 2 247.386 2.245 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000359303845 356887859 /nfs/dbraw/zinc/88/78/59/356887859.db2.gz NRBBRYKGNYGMPU-SLEUVZQESA-N 2 2 247.386 2.245 20 0 BEADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000353485126 538744518 /nfs/dbraw/zinc/74/45/18/538744518.db2.gz SNSPYSGBIJSYDV-VXGBXAGGSA-N 2 2 238.379 2.181 20 0 BEADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1[nH]cc[nH+]1 ZINC000353485126 538744525 /nfs/dbraw/zinc/74/45/25/538744525.db2.gz SNSPYSGBIJSYDV-VXGBXAGGSA-N 2 2 238.379 2.181 20 0 BEADLP CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062894 356916214 /nfs/dbraw/zinc/91/62/14/356916214.db2.gz NYSICRQKGDCJMQ-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cscn2)CC1(C)C ZINC000623387235 356917350 /nfs/dbraw/zinc/91/73/50/356917350.db2.gz RGBXVNSCGWKRRB-JTQLQIEISA-N 2 2 239.388 2.106 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2cscn2)CC1(C)C ZINC000623387235 356917353 /nfs/dbraw/zinc/91/73/53/356917353.db2.gz RGBXVNSCGWKRRB-JTQLQIEISA-N 2 2 239.388 2.106 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000361132803 356917812 /nfs/dbraw/zinc/91/78/12/356917812.db2.gz SCQJTDJAHZERFZ-LBPRGKRZSA-N 2 2 244.342 2.191 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000423190634 192618214 /nfs/dbraw/zinc/61/82/14/192618214.db2.gz REWKKXVNIAYQCV-QWHCGFSZSA-N 2 2 248.370 2.406 20 0 BEADLP CC(C)[NH+](CCN[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000353435594 538743007 /nfs/dbraw/zinc/74/30/07/538743007.db2.gz MNOAOFASLYSKLN-GFCCVEGCSA-N 2 2 238.379 2.179 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368105545 356966452 /nfs/dbraw/zinc/96/64/52/356966452.db2.gz TVNJKFIHJSQVJV-UTUOFQBUSA-N 2 2 233.359 2.435 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368105545 356966456 /nfs/dbraw/zinc/96/64/56/356966456.db2.gz TVNJKFIHJSQVJV-UTUOFQBUSA-N 2 2 233.359 2.435 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000353668506 538755043 /nfs/dbraw/zinc/75/50/43/538755043.db2.gz GQYYUUFWVDBFJR-RWMBFGLXSA-N 2 2 233.359 2.222 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423222103 192633672 /nfs/dbraw/zinc/63/36/72/192633672.db2.gz ZRVRZFMNICRMQJ-XHDPSFHLSA-N 2 2 245.370 2.407 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423222103 192633675 /nfs/dbraw/zinc/63/36/75/192633675.db2.gz ZRVRZFMNICRMQJ-XHDPSFHLSA-N 2 2 245.370 2.407 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccc(Cl)o2)C1 ZINC000582311157 357051275 /nfs/dbraw/zinc/05/12/75/357051275.db2.gz DZAZZCOKQYJTNQ-UHFFFAOYSA-N 2 2 228.723 2.115 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000623395459 357019518 /nfs/dbraw/zinc/01/95/18/357019518.db2.gz MKGQHGJNRXUCQT-UGFHNGPFSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000623395459 357019519 /nfs/dbraw/zinc/01/95/19/357019519.db2.gz MKGQHGJNRXUCQT-UGFHNGPFSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389932607 357069495 /nfs/dbraw/zinc/06/94/95/357069495.db2.gz LMWYJLMLIPRAMX-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389932607 357069500 /nfs/dbraw/zinc/06/95/00/357069500.db2.gz LMWYJLMLIPRAMX-YNEHKIRRSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389964642 357075182 /nfs/dbraw/zinc/07/51/82/357075182.db2.gz WZCQDRDSROWPEW-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389964642 357075184 /nfs/dbraw/zinc/07/51/84/357075184.db2.gz WZCQDRDSROWPEW-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1F ZINC000423259211 192656155 /nfs/dbraw/zinc/65/61/55/192656155.db2.gz DGTSUJIRJDEQOK-MFKMUULPSA-N 2 2 224.323 2.460 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000157191621 538813847 /nfs/dbraw/zinc/81/38/47/538813847.db2.gz JQABIMGWLJDMDI-MDZLAQPJSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000157191621 538813849 /nfs/dbraw/zinc/81/38/49/538813849.db2.gz JQABIMGWLJDMDI-MDZLAQPJSA-N 2 2 222.376 2.390 20 0 BEADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C(C)C ZINC000122473062 357178286 /nfs/dbraw/zinc/17/82/86/357178286.db2.gz LCZXJPPCMQHCLU-CHWSQXEVSA-N 2 2 244.448 2.448 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271429 192664482 /nfs/dbraw/zinc/66/44/82/192664482.db2.gz HKRXYYULLFYCEU-ZWNOBZJWSA-N 2 2 234.343 2.083 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC000393608789 357289086 /nfs/dbraw/zinc/28/90/86/357289086.db2.gz RFHWLKZSAUSLBS-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC000393608789 357289092 /nfs/dbraw/zinc/28/90/92/357289092.db2.gz RFHWLKZSAUSLBS-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157628873 538833535 /nfs/dbraw/zinc/83/35/35/538833535.db2.gz IQSAQDPZYMVFKO-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157628873 538833538 /nfs/dbraw/zinc/83/35/38/538833538.db2.gz IQSAQDPZYMVFKO-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582706290 357374941 /nfs/dbraw/zinc/37/49/41/357374941.db2.gz RBVZRNSDDVFQJT-ZOBORPQBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000582706290 357374945 /nfs/dbraw/zinc/37/49/45/357374945.db2.gz RBVZRNSDDVFQJT-ZOBORPQBSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1C[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000582614394 357353254 /nfs/dbraw/zinc/35/32/54/357353254.db2.gz DYXVVEGJBCTUJP-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1C[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000582614394 357353255 /nfs/dbraw/zinc/35/32/55/357353255.db2.gz DYXVVEGJBCTUJP-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000157745513 538838400 /nfs/dbraw/zinc/83/84/00/538838400.db2.gz GDOHSRFRSNLKNJ-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)C ZINC000157745513 538838406 /nfs/dbraw/zinc/83/84/06/538838406.db2.gz GDOHSRFRSNLKNJ-KBPBESRZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000157773910 538839430 /nfs/dbraw/zinc/83/94/30/538839430.db2.gz MBOABQCSJQXTML-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000157773910 538839435 /nfs/dbraw/zinc/83/94/35/538839435.db2.gz MBOABQCSJQXTML-DGCLKSJQSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1cc[nH+]cc1N1CC[NH+](CC2(C)CC2)CC1 ZINC000582819590 357406758 /nfs/dbraw/zinc/40/67/58/357406758.db2.gz CWNXHQWLHCDJNG-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000230647767 357544131 /nfs/dbraw/zinc/54/41/31/357544131.db2.gz YXRGJIXLPQPLRF-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000230647767 357544133 /nfs/dbraw/zinc/54/41/33/357544133.db2.gz YXRGJIXLPQPLRF-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP Cc1cc(NCC[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000063171607 357552603 /nfs/dbraw/zinc/55/26/03/357552603.db2.gz INPVTRLZWJXJOO-VIFPVBQESA-N 2 2 222.336 2.058 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cncc(F)c1 ZINC000230938603 357581102 /nfs/dbraw/zinc/58/11/02/357581102.db2.gz XLIQGVGORNSKFS-UHFFFAOYSA-N 2 2 239.338 2.041 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cncc(F)c1 ZINC000230938603 357581104 /nfs/dbraw/zinc/58/11/04/357581104.db2.gz XLIQGVGORNSKFS-UHFFFAOYSA-N 2 2 239.338 2.041 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H]1C[C@H]1C ZINC000321552583 357589574 /nfs/dbraw/zinc/58/95/74/357589574.db2.gz SCDGYVXMFZGYKH-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CSCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610368773 357816586 /nfs/dbraw/zinc/81/65/86/357816586.db2.gz MSZNBKWBCSWOPF-GFCCVEGCSA-N 2 2 239.388 2.273 20 0 BEADLP CSCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610368773 357816591 /nfs/dbraw/zinc/81/65/91/357816591.db2.gz MSZNBKWBCSWOPF-GFCCVEGCSA-N 2 2 239.388 2.273 20 0 BEADLP Cc1sccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000583273113 357786540 /nfs/dbraw/zinc/78/65/40/357786540.db2.gz FVIGOGRUVQGNCI-UHFFFAOYSA-N 2 2 224.373 2.239 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2(C3(C)CC3)CC2)n1C ZINC000584422117 357918650 /nfs/dbraw/zinc/91/86/50/357918650.db2.gz MRASKWPIAUSZQY-UHFFFAOYSA-N 2 2 219.332 2.151 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCC1 ZINC000387618416 357993915 /nfs/dbraw/zinc/99/39/15/357993915.db2.gz BCBAHOOOQAQDOW-WCQYABFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000037466623 358070539 /nfs/dbraw/zinc/07/05/39/358070539.db2.gz GSFYSJOBTZEDPA-CYBMUJFWSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000037466623 358070540 /nfs/dbraw/zinc/07/05/40/358070540.db2.gz GSFYSJOBTZEDPA-CYBMUJFWSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000168758873 134247929 /nfs/dbraw/zinc/24/79/29/134247929.db2.gz RSWHLDDYOOJHQD-WDEREUQCSA-N 2 2 239.388 2.244 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000583872592 358081307 /nfs/dbraw/zinc/08/13/07/358081307.db2.gz UXZDTOUWCODGTL-CYDGBPFRSA-N 2 2 210.365 2.234 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000583872592 358081310 /nfs/dbraw/zinc/08/13/10/358081310.db2.gz UXZDTOUWCODGTL-CYDGBPFRSA-N 2 2 210.365 2.234 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000040621055 358242972 /nfs/dbraw/zinc/24/29/72/358242972.db2.gz OOUGANHJKTUZGO-GFCCVEGCSA-N 2 2 222.332 2.100 20 0 BEADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000040621055 358242973 /nfs/dbraw/zinc/24/29/73/358242973.db2.gz OOUGANHJKTUZGO-GFCCVEGCSA-N 2 2 222.332 2.100 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000226682529 358342845 /nfs/dbraw/zinc/34/28/45/358342845.db2.gz BUKFEYJWBWULMS-SRVKXCTJSA-N 2 2 230.421 2.186 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(OC)CC1 ZINC000129822743 358598730 /nfs/dbraw/zinc/59/87/30/358598730.db2.gz HKUSDGFMFAZCFM-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(OC)CC1 ZINC000129822743 358598733 /nfs/dbraw/zinc/59/87/33/358598733.db2.gz HKUSDGFMFAZCFM-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000050243289 358721202 /nfs/dbraw/zinc/72/12/02/358721202.db2.gz OVDQRYXYXBWAGV-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000050243289 358721205 /nfs/dbraw/zinc/72/12/05/358721205.db2.gz OVDQRYXYXBWAGV-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000050545711 358733430 /nfs/dbraw/zinc/73/34/30/358733430.db2.gz UCPUSOQRXLOWFG-ZDUSSCGKSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000050545711 358733432 /nfs/dbraw/zinc/73/34/32/358733432.db2.gz UCPUSOQRXLOWFG-ZDUSSCGKSA-N 2 2 248.345 2.460 20 0 BEADLP CCSCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000134769155 358805264 /nfs/dbraw/zinc/80/52/64/358805264.db2.gz YZAPPXJTYSXZJR-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CCSCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000134769155 358805265 /nfs/dbraw/zinc/80/52/65/358805265.db2.gz YZAPPXJTYSXZJR-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP c1ccc([C@H]2C[C@H]2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000135610845 358846920 /nfs/dbraw/zinc/84/69/20/358846920.db2.gz RSAMMOPCSJVPGH-JKSUJKDBSA-N 2 2 244.382 2.476 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CCCC1 ZINC000054080312 358850779 /nfs/dbraw/zinc/85/07/79/358850779.db2.gz UTVMPLGUHBBLFW-VXGBXAGGSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCCC1 ZINC000054080308 358851421 /nfs/dbraw/zinc/85/14/21/358851421.db2.gz UTVMPLGUHBBLFW-NEPJUHHUSA-N 2 2 221.348 2.440 20 0 BEADLP CC(C)C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000070079415 359040141 /nfs/dbraw/zinc/04/01/41/359040141.db2.gz YHQHXLTVGPHBAP-AWEZNQCLSA-N 2 2 218.344 2.201 20 0 BEADLP CC(C)C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000070079415 359040143 /nfs/dbraw/zinc/04/01/43/359040143.db2.gz YHQHXLTVGPHBAP-AWEZNQCLSA-N 2 2 218.344 2.201 20 0 BEADLP CC(C)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143775 359043235 /nfs/dbraw/zinc/04/32/35/359043235.db2.gz BAEVGYZVGQUPLJ-UHFFFAOYSA-N 2 2 238.379 2.012 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1C ZINC000070233852 359045289 /nfs/dbraw/zinc/04/52/89/359045289.db2.gz HJAQWHNVCZMRFB-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP CC(C)C([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000308869802 491139239 /nfs/dbraw/zinc/13/92/39/491139239.db2.gz MIQHXCPRZSXQBE-UHFFFAOYSA-N 2 2 209.337 2.153 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000628477259 359312386 /nfs/dbraw/zinc/31/23/86/359312386.db2.gz OKRLSHZAWNVDGN-PMPSAXMXSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000628477259 359312393 /nfs/dbraw/zinc/31/23/93/359312393.db2.gz OKRLSHZAWNVDGN-PMPSAXMXSA-N 2 2 244.382 2.474 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000308892565 491139787 /nfs/dbraw/zinc/13/97/87/491139787.db2.gz YDUDZQGSJDLPSE-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000308892565 491139788 /nfs/dbraw/zinc/13/97/88/491139788.db2.gz YDUDZQGSJDLPSE-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CCc1nc(NCCCn2cc[nH+]c2)cc(C)[nH+]1 ZINC000285581483 359534536 /nfs/dbraw/zinc/53/45/36/359534536.db2.gz KPTDSWQMIOZMIV-UHFFFAOYSA-N 2 2 245.330 2.046 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000132948161 491143444 /nfs/dbraw/zinc/14/34/44/491143444.db2.gz ZWDZWLDQBRAKLM-NQBHXWOUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000132948161 491143443 /nfs/dbraw/zinc/14/34/43/491143443.db2.gz ZWDZWLDQBRAKLM-NQBHXWOUSA-N 2 2 222.376 2.247 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC13CC3)CC2 ZINC000578669394 366625315 /nfs/dbraw/zinc/62/53/15/366625315.db2.gz KNPUMJAXDOEAQO-NEPJUHHUSA-N 2 2 231.343 2.120 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000088162120 359938548 /nfs/dbraw/zinc/93/85/48/359938548.db2.gz OAHXYTBTFKEGSJ-TZMCWYRMSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720571 360084625 /nfs/dbraw/zinc/08/46/25/360084625.db2.gz INFGCEQHCQIXNO-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncsc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720571 360084628 /nfs/dbraw/zinc/08/46/28/360084628.db2.gz INFGCEQHCQIXNO-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(C2CC2)s1 ZINC000578965905 366680622 /nfs/dbraw/zinc/68/06/22/366680622.db2.gz LVVYPQWWUBNUMJ-NSHDSACASA-N 2 2 239.388 2.093 20 0 BEADLP CC1(C)C[C@@H]([NH2+]CC[NH+]2CCCC2)C(C)(C)O1 ZINC000094422702 360307260 /nfs/dbraw/zinc/30/72/60/360307260.db2.gz XDWBIKAFFMNWAU-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(C2CC2)s1 ZINC000578965904 366680745 /nfs/dbraw/zinc/68/07/45/366680745.db2.gz LVVYPQWWUBNUMJ-LLVKDONJSA-N 2 2 239.388 2.093 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000309526926 491150052 /nfs/dbraw/zinc/15/00/52/491150052.db2.gz CSRNVSPWLVIYMS-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000309526926 491150053 /nfs/dbraw/zinc/15/00/53/491150053.db2.gz CSRNVSPWLVIYMS-YPMHNXCESA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000133303994 491150605 /nfs/dbraw/zinc/15/06/05/491150605.db2.gz LUDJRTBOTQADDF-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000133303994 491150606 /nfs/dbraw/zinc/15/06/06/491150606.db2.gz LUDJRTBOTQADDF-DGCLKSJQSA-N 2 2 222.376 2.391 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000309577995 491152061 /nfs/dbraw/zinc/15/20/61/491152061.db2.gz RAAZKNKTMVYXAA-OLZOCXBDSA-N 2 2 219.332 2.051 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309609364 491152427 /nfs/dbraw/zinc/15/24/27/491152427.db2.gz ZNMRNZJEPDLVSW-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309609364 491152428 /nfs/dbraw/zinc/15/24/28/491152428.db2.gz ZNMRNZJEPDLVSW-ZJUUUORDSA-N 2 2 238.297 2.401 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000629407143 361055305 /nfs/dbraw/zinc/05/53/05/361055305.db2.gz VQELOJVLYGCQDD-DZGCQCFKSA-N 2 2 232.371 2.452 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000459634029 200839030 /nfs/dbraw/zinc/83/90/30/200839030.db2.gz NVIHVYDNHRQOGZ-GASCZTMLSA-N 2 2 248.370 2.480 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629394464 361042823 /nfs/dbraw/zinc/04/28/23/361042823.db2.gz IILPFRFSSAQHNY-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629397323 361047560 /nfs/dbraw/zinc/04/75/60/361047560.db2.gz ZLPTVMKKBYHQGS-GXTWGEPZSA-N 2 2 248.370 2.315 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629397324 361047751 /nfs/dbraw/zinc/04/77/51/361047751.db2.gz ZLPTVMKKBYHQGS-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407748 361057102 /nfs/dbraw/zinc/05/71/02/361057102.db2.gz JXABRCJPAMRBKT-GXFFZTMASA-N 2 2 238.762 2.488 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629406230 361053713 /nfs/dbraw/zinc/05/37/13/361053713.db2.gz KUKKIWQHFZKXSF-GXTWGEPZSA-N 2 2 218.344 2.143 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000629407118 361054450 /nfs/dbraw/zinc/05/44/50/361054450.db2.gz USZMGYFTEFRGEV-SMDDNHRTSA-N 2 2 241.338 2.075 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cnccc1C ZINC000629527242 361129646 /nfs/dbraw/zinc/12/96/46/361129646.db2.gz PFRSUJQLLPHKMM-KWCYVHTRSA-N 2 2 233.359 2.181 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000629528441 361136742 /nfs/dbraw/zinc/13/67/42/361136742.db2.gz ZHMKRWXBHFUIAH-BFHYXJOUSA-N 2 2 245.370 2.189 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000629524641 361125543 /nfs/dbraw/zinc/12/55/43/361125543.db2.gz RVFWUYAPDUFGNX-SOUVJXGZSA-N 2 2 230.355 2.404 20 0 BEADLP Cc1csc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)n1 ZINC000309724348 491155062 /nfs/dbraw/zinc/15/50/62/491155062.db2.gz CRJPAKMKFRPIGB-MWLCHTKSSA-N 2 2 241.404 2.442 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000579087327 366707733 /nfs/dbraw/zinc/70/77/33/366707733.db2.gz OMFXPXJFMIEJGQ-LBPRGKRZSA-N 2 2 228.286 2.038 20 0 BEADLP Cc1ccc(F)c(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000579130650 366720193 /nfs/dbraw/zinc/72/01/93/366720193.db2.gz WCGHSAAWPMVFBF-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000428255895 201004043 /nfs/dbraw/zinc/00/40/43/201004043.db2.gz MDOQOZSEMHGQLG-MOKVOYLWSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000428255895 201004045 /nfs/dbraw/zinc/00/40/45/201004045.db2.gz MDOQOZSEMHGQLG-MOKVOYLWSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[N@H+](CCC[NH+](CC)CC)C[C@H](C)O1 ZINC000191789274 361359225 /nfs/dbraw/zinc/35/92/25/361359225.db2.gz IDNHAPYGDULZHW-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1C[N@@H+](CCC[NH+](CC)CC)C[C@H](C)O1 ZINC000191789274 361359232 /nfs/dbraw/zinc/35/92/32/361359232.db2.gz IDNHAPYGDULZHW-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP c1cn(CC[NH+](C2CCC2)C2CCC2)c[nH+]1 ZINC000429191057 201079529 /nfs/dbraw/zinc/07/95/29/201079529.db2.gz OITVRIBENGVCTP-UHFFFAOYSA-N 2 2 219.332 2.290 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429435045 201107840 /nfs/dbraw/zinc/10/78/40/201107840.db2.gz INQIIYWXLHDUIO-BNOWGMLFSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000429435045 201107841 /nfs/dbraw/zinc/10/78/41/201107841.db2.gz INQIIYWXLHDUIO-BNOWGMLFSA-N 2 2 234.387 2.391 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000429375223 201104236 /nfs/dbraw/zinc/10/42/36/201104236.db2.gz BAURHUNAFYUZQG-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccnc1 ZINC000629543543 361411498 /nfs/dbraw/zinc/41/14/98/361411498.db2.gz BTSQYMUGOKTWIH-IACUBPJLSA-N 2 2 233.359 2.119 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)n1 ZINC000629543900 361412739 /nfs/dbraw/zinc/41/27/39/361412739.db2.gz FLVUNICEKSWSGQ-MBNYWOFBSA-N 2 2 233.359 2.099 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)n1 ZINC000629543072 361421874 /nfs/dbraw/zinc/42/18/74/361421874.db2.gz SBHKIHPABOYVJI-BPNCWPANSA-N 2 2 247.386 2.490 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629544740 361424986 /nfs/dbraw/zinc/42/49/86/361424986.db2.gz CEOAMPRPHRFKMQ-FPMFFAJLSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000629544824 361425035 /nfs/dbraw/zinc/42/50/35/361425035.db2.gz DBBSVYHFCSLXLF-GDLCADMTSA-N 2 2 216.328 2.014 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545154 361425445 /nfs/dbraw/zinc/42/54/45/361425445.db2.gz AHGLUWOEYSAKBY-BVIHXZOGSA-N 2 2 230.355 2.260 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000629545946 361426388 /nfs/dbraw/zinc/42/63/88/361426388.db2.gz TXKURBMOSGCALI-GLQYFDAESA-N 2 2 230.355 2.478 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000629546282 361427516 /nfs/dbraw/zinc/42/75/16/361427516.db2.gz RLZGWZUIEWLVPB-LPEHRKFASA-N 2 2 210.346 2.149 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OC)cc1 ZINC000629547934 361432003 /nfs/dbraw/zinc/43/20/03/361432003.db2.gz LYWZJGHMDHXJSX-TUKIKUTGSA-N 2 2 248.370 2.486 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548834 361434313 /nfs/dbraw/zinc/43/43/13/361434313.db2.gz RFGDJYDRMZHETH-NILFDRSVSA-N 2 2 230.355 2.322 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000629549000 361435715 /nfs/dbraw/zinc/43/57/15/361435715.db2.gz UCBWJXMFCYMRJM-MVWJERBFSA-N 2 2 236.384 2.466 20 0 BEADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553243 361437261 /nfs/dbraw/zinc/43/72/61/361437261.db2.gz RTTLAVODYPBBHH-BXUZGUMPSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553436 361438698 /nfs/dbraw/zinc/43/86/98/361438698.db2.gz OWOUIVITGBYOOL-FIXISWKDSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccoc1 ZINC000629542150 361417539 /nfs/dbraw/zinc/41/75/39/361417539.db2.gz ZKWVURJFYVDGDA-CKYFFXLPSA-N 2 2 208.305 2.071 20 0 BEADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544265 361418905 /nfs/dbraw/zinc/41/89/05/361418905.db2.gz INPIBOIXMCATKD-MXYBEHONSA-N 2 2 248.370 2.103 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C(C)C)nc1C ZINC000629558356 361452738 /nfs/dbraw/zinc/45/27/38/361452738.db2.gz GGQLFGIMVJZFTF-UHFFFAOYSA-N 2 2 235.375 2.294 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(C)C)nc1C ZINC000629558356 361452739 /nfs/dbraw/zinc/45/27/39/361452739.db2.gz GGQLFGIMVJZFTF-UHFFFAOYSA-N 2 2 235.375 2.294 20 0 BEADLP Cn1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000629654477 361559052 /nfs/dbraw/zinc/55/90/52/361559052.db2.gz PTCLZFUGMZNXIH-UHFFFAOYSA-N 2 2 249.402 2.427 20 0 BEADLP Cc1cnccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000629647948 361538888 /nfs/dbraw/zinc/53/88/88/361538888.db2.gz LNLKGXLKBCIMTG-OAHLLOKOSA-N 2 2 241.338 2.180 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000629671657 361590702 /nfs/dbraw/zinc/59/07/02/361590702.db2.gz CFDJNTANVZQKJC-QPUJVOFHSA-N 2 2 242.725 2.319 20 0 BEADLP CCCc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000435375681 201265404 /nfs/dbraw/zinc/26/54/04/201265404.db2.gz NLUUBYHJJJWTSF-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCCc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000435375681 201265406 /nfs/dbraw/zinc/26/54/06/201265406.db2.gz NLUUBYHJJJWTSF-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CC[N@H+](Cc1cscn1)[C@@H]1CCC[NH2+]CC1 ZINC000435389305 201268383 /nfs/dbraw/zinc/26/83/83/201268383.db2.gz JXEFEJNUKUMBOC-GFCCVEGCSA-N 2 2 239.388 2.107 20 0 BEADLP CC[N@@H+](Cc1cscn1)[C@@H]1CCC[NH2+]CC1 ZINC000435389305 201268386 /nfs/dbraw/zinc/26/83/86/201268386.db2.gz JXEFEJNUKUMBOC-GFCCVEGCSA-N 2 2 239.388 2.107 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000154509816 201281342 /nfs/dbraw/zinc/28/13/42/201281342.db2.gz HAIGMDIEUMRNPE-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000154509816 201281345 /nfs/dbraw/zinc/28/13/45/201281345.db2.gz HAIGMDIEUMRNPE-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP C[C@@H](Nc1cccc[nH+]1)C1CC[NH+](C)CC1 ZINC000134152737 541356435 /nfs/dbraw/zinc/35/64/35/541356435.db2.gz WKJBADIVNQLYEG-LLVKDONJSA-N 2 2 219.332 2.224 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)C[NH2+]1 ZINC000398961752 364376872 /nfs/dbraw/zinc/37/68/72/364376872.db2.gz NFIDXVWEYWEZIZ-GWCFXTLKSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)C[NH2+]1 ZINC000398961754 364379485 /nfs/dbraw/zinc/37/94/85/364379485.db2.gz NFIDXVWEYWEZIZ-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP CCc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299921775 364821583 /nfs/dbraw/zinc/82/15/83/364821583.db2.gz QTZBSGFKAFINKF-GOEBONIOSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299921775 364821590 /nfs/dbraw/zinc/82/15/90/364821590.db2.gz QTZBSGFKAFINKF-GOEBONIOSA-N 2 2 244.382 2.433 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097930837 541393873 /nfs/dbraw/zinc/39/38/73/541393873.db2.gz ZSWSDHJISKJXAJ-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCc1ccc(C[NH2+]C2CC([NH+](C)C)C2)o1 ZINC000573814853 364924262 /nfs/dbraw/zinc/92/42/62/364924262.db2.gz KDUJQKYESQRPKL-UHFFFAOYSA-N 2 2 222.332 2.024 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)n1C ZINC000574220112 365014823 /nfs/dbraw/zinc/01/48/23/365014823.db2.gz AZXLBXDXRBIZON-ZYHUDNBSSA-N 2 2 221.348 2.254 20 0 BEADLP [NH3+]CC[N@H+](Cc1ccccc1)C1CCCC1 ZINC000032013361 181390777 /nfs/dbraw/zinc/39/07/77/181390777.db2.gz NBFMLTUUUGLRCJ-UHFFFAOYSA-N 2 2 218.344 2.390 20 0 BEADLP [NH3+]CC[N@@H+](Cc1ccccc1)C1CCCC1 ZINC000032013361 181390778 /nfs/dbraw/zinc/39/07/78/181390778.db2.gz NBFMLTUUUGLRCJ-UHFFFAOYSA-N 2 2 218.344 2.390 20 0 BEADLP Cc1ccccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000574651027 365115158 /nfs/dbraw/zinc/11/51/58/365115158.db2.gz MDYWKKZXNWDPHD-UHFFFAOYSA-N 2 2 218.344 2.177 20 0 BEADLP CCCC[C@@H]([NH3+])c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000442966501 193008119 /nfs/dbraw/zinc/00/81/19/193008119.db2.gz MEXQEHFYFUCBGX-NXEZZACHSA-N 2 2 240.351 2.306 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000575763337 365358065 /nfs/dbraw/zinc/35/80/65/365358065.db2.gz RDMXWZPALKXCHA-CQSZACIVSA-N 2 2 247.386 2.234 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000575763336 365358131 /nfs/dbraw/zinc/35/81/31/365358131.db2.gz RDMXWZPALKXCHA-AWEZNQCLSA-N 2 2 247.386 2.234 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cscn1 ZINC000576099282 365481782 /nfs/dbraw/zinc/48/17/82/365481782.db2.gz YOXPFQDEMJIIFG-VIFPVBQESA-N 2 2 227.377 2.311 20 0 BEADLP CCCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000579687144 366978355 /nfs/dbraw/zinc/97/83/55/366978355.db2.gz UJARYOYINQNUJB-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000579785803 367005005 /nfs/dbraw/zinc/00/50/05/367005005.db2.gz ZQUPEZGDZGDVJL-GLQYFDAESA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000579785803 367005012 /nfs/dbraw/zinc/00/50/12/367005012.db2.gz ZQUPEZGDZGDVJL-GLQYFDAESA-N 2 2 236.403 2.493 20 0 BEADLP FC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000580986496 367223572 /nfs/dbraw/zinc/22/35/72/367223572.db2.gz FJLKOZANMGAMOZ-UHFFFAOYSA-N 2 2 223.295 2.091 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H](C)CC1(C)C ZINC000380576899 367245578 /nfs/dbraw/zinc/24/55/78/367245578.db2.gz VIWIKQWORONPNJ-VXGBXAGGSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H](C)CC1(C)C ZINC000380576899 367245583 /nfs/dbraw/zinc/24/55/83/367245583.db2.gz VIWIKQWORONPNJ-VXGBXAGGSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1cccs1 ZINC000381238187 367369130 /nfs/dbraw/zinc/36/91/30/367369130.db2.gz MIUZSRMAWXZJJG-WCQYABFASA-N 2 2 238.400 2.220 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1cccs1 ZINC000381238187 367369139 /nfs/dbraw/zinc/36/91/39/367369139.db2.gz MIUZSRMAWXZJJG-WCQYABFASA-N 2 2 238.400 2.220 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000381727362 367452025 /nfs/dbraw/zinc/45/20/25/367452025.db2.gz MWRMXSGJFSKGJN-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000381727362 367452028 /nfs/dbraw/zinc/45/20/28/367452028.db2.gz MWRMXSGJFSKGJN-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000382979439 367578268 /nfs/dbraw/zinc/57/82/68/367578268.db2.gz QTRYLUXMQZCLOI-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000382979439 367578276 /nfs/dbraw/zinc/57/82/76/367578276.db2.gz QTRYLUXMQZCLOI-NSHDSACASA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000382983298 367579828 /nfs/dbraw/zinc/57/98/28/367579828.db2.gz ZAEJTGUZBCJQGF-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000382983298 367579836 /nfs/dbraw/zinc/57/98/36/367579836.db2.gz ZAEJTGUZBCJQGF-LLVKDONJSA-N 2 2 218.344 2.343 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384031283 367670359 /nfs/dbraw/zinc/67/03/59/367670359.db2.gz AXDGZZYGEVJNHJ-CYBMUJFWSA-N 2 2 248.370 2.015 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000384126931 367672703 /nfs/dbraw/zinc/67/27/03/367672703.db2.gz PGMZIKAYGAYIIT-JHJVBQTASA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000384126931 367672715 /nfs/dbraw/zinc/67/27/15/367672715.db2.gz PGMZIKAYGAYIIT-JHJVBQTASA-N 2 2 212.381 2.480 20 0 BEADLP C[N@H+](Cc1ccc(Cl)cc1F)C1CC([NH3+])C1 ZINC000384760891 367727631 /nfs/dbraw/zinc/72/76/31/367727631.db2.gz AMQCXRRFMLRKAS-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP C[N@@H+](Cc1ccc(Cl)cc1F)C1CC([NH3+])C1 ZINC000384760891 367727633 /nfs/dbraw/zinc/72/76/33/367727633.db2.gz AMQCXRRFMLRKAS-UHFFFAOYSA-N 2 2 242.725 2.401 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399179466 367851897 /nfs/dbraw/zinc/85/18/97/367851897.db2.gz ITVNXCRNKNQJSE-RWMBFGLXSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]1CCSCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000385455338 367829704 /nfs/dbraw/zinc/82/97/04/367829704.db2.gz CWSLQHGKWFWGOE-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]1CCSCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000385455338 367829708 /nfs/dbraw/zinc/82/97/08/367829708.db2.gz CWSLQHGKWFWGOE-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386555470 367990681 /nfs/dbraw/zinc/99/06/81/367990681.db2.gz HXWRAUCONWZYRQ-DTWKUNHWSA-N 2 2 224.270 2.059 20 0 BEADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000386575448 367993728 /nfs/dbraw/zinc/99/37/28/367993728.db2.gz NBDPTRQLSMOOAX-CABZTGNLSA-N 2 2 239.388 2.072 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000386624352 368002837 /nfs/dbraw/zinc/00/28/37/368002837.db2.gz YPWDMWMYXVJXGN-OCCSQVGLSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1cccc(CC[NH2+]CCn2cc[nH+]c2)c1 ZINC000386280713 367945091 /nfs/dbraw/zinc/94/50/91/367945091.db2.gz FEBWPHLVKILEHS-UHFFFAOYSA-N 2 2 229.327 2.024 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399243989 368044466 /nfs/dbraw/zinc/04/44/66/368044466.db2.gz VKHXVZAEENMGDY-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000399252685 368054304 /nfs/dbraw/zinc/05/43/04/368054304.db2.gz LXMULPCDBOFGJW-MWLCHTKSSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000399252688 368055056 /nfs/dbraw/zinc/05/50/56/368055056.db2.gz LXMULPCDBOFGJW-ONGXEEELSA-N 2 2 224.373 2.287 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(C)C ZINC000101574157 368377472 /nfs/dbraw/zinc/37/74/72/368377472.db2.gz PQJZOMSAPMTJFK-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(C)C ZINC000101574157 368377474 /nfs/dbraw/zinc/37/74/74/368377474.db2.gz PQJZOMSAPMTJFK-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000567071205 326110642 /nfs/dbraw/zinc/11/06/42/326110642.db2.gz LCNCQVAPEMBPFI-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC1(C[NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000567071205 326110644 /nfs/dbraw/zinc/11/06/44/326110644.db2.gz LCNCQVAPEMBPFI-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP C[N@H+](Cc1ccnc2ccccc12)[C@H]1CC[NH2+]C1 ZINC000113701163 368902066 /nfs/dbraw/zinc/90/20/66/368902066.db2.gz VMYDFFNVTRNHPG-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@@H+](Cc1ccnc2ccccc12)[C@H]1CC[NH2+]C1 ZINC000113701163 368902069 /nfs/dbraw/zinc/90/20/69/368902069.db2.gz VMYDFFNVTRNHPG-ZDUSSCGKSA-N 2 2 241.338 2.029 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000631834853 369040681 /nfs/dbraw/zinc/04/06/81/369040681.db2.gz HDULDWJHYFQVSX-CRWXNKLISA-N 2 2 222.376 2.236 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000631834853 369040688 /nfs/dbraw/zinc/04/06/88/369040688.db2.gz HDULDWJHYFQVSX-CRWXNKLISA-N 2 2 222.376 2.236 20 0 BEADLP C[C@H]1CCC[C@@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297581 203250231 /nfs/dbraw/zinc/25/02/31/203250231.db2.gz JLYJUWOQIYIALJ-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCC[C@@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459297581 203250234 /nfs/dbraw/zinc/25/02/34/203250234.db2.gz JLYJUWOQIYIALJ-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459324960 203257628 /nfs/dbraw/zinc/25/76/28/203257628.db2.gz LJAKMBQVQKJLDG-CYBMUJFWSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459324960 203257631 /nfs/dbraw/zinc/25/76/31/203257631.db2.gz LJAKMBQVQKJLDG-CYBMUJFWSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000459516995 203295675 /nfs/dbraw/zinc/29/56/75/203295675.db2.gz FCBHLBVVZNSWHM-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000459516995 203295677 /nfs/dbraw/zinc/29/56/77/203295677.db2.gz FCBHLBVVZNSWHM-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000459408349 203277299 /nfs/dbraw/zinc/27/72/99/203277299.db2.gz LXAZEVLMXQHVOF-GFCCVEGCSA-N 2 2 235.375 2.331 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000459408349 203277303 /nfs/dbraw/zinc/27/73/03/203277303.db2.gz LXAZEVLMXQHVOF-GFCCVEGCSA-N 2 2 235.375 2.331 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859037 369446665 /nfs/dbraw/zinc/44/66/65/369446665.db2.gz ICSGTXYHUREXBF-OCCSQVGLSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631859037 369446668 /nfs/dbraw/zinc/44/66/68/369446668.db2.gz ICSGTXYHUREXBF-OCCSQVGLSA-N 2 2 248.370 2.395 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459804941 203372220 /nfs/dbraw/zinc/37/22/20/203372220.db2.gz PGDHNWIIPYHEJS-NWDGAFQWSA-N 2 2 242.407 2.120 20 0 BEADLP CCC[C@H]([NH2+]CCC[NH+](C)C)c1ccccn1 ZINC000158455211 326323018 /nfs/dbraw/zinc/32/30/18/326323018.db2.gz YANMBOXKNFBTKM-ZDUSSCGKSA-N 2 2 235.375 2.464 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309676205 370241985 /nfs/dbraw/zinc/24/19/85/370241985.db2.gz LUQCSETVUVWRKV-MCIONIFRSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309676205 370241991 /nfs/dbraw/zinc/24/19/91/370241991.db2.gz LUQCSETVUVWRKV-MCIONIFRSA-N 2 2 224.392 2.352 20 0 BEADLP Cc1[nH+]cn(Cc2cc[nH+]c(C)c2)c1C ZINC000621258104 370190936 /nfs/dbraw/zinc/19/09/36/370190936.db2.gz YBBNBHVZLWJOEA-UHFFFAOYSA-N 2 2 201.273 2.252 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000310016338 370289280 /nfs/dbraw/zinc/28/92/80/370289280.db2.gz CXIVNQIFPJGTPJ-HMZQOCAUSA-N 2 2 230.355 2.384 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000310016338 370289281 /nfs/dbraw/zinc/28/92/81/370289281.db2.gz CXIVNQIFPJGTPJ-HMZQOCAUSA-N 2 2 230.355 2.384 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621775706 370523133 /nfs/dbraw/zinc/52/31/33/370523133.db2.gz WZFHGCXNAKOUOF-UHFFFAOYSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000621778162 370527670 /nfs/dbraw/zinc/52/76/70/370527670.db2.gz LKVQFNHWZYKXRF-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000621778162 370527672 /nfs/dbraw/zinc/52/76/72/370527672.db2.gz LKVQFNHWZYKXRF-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621784289 370535340 /nfs/dbraw/zinc/53/53/40/370535340.db2.gz MKOUULPPMNFSRQ-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000621784289 370535344 /nfs/dbraw/zinc/53/53/44/370535344.db2.gz MKOUULPPMNFSRQ-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP CCc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)s1 ZINC000313263484 370575711 /nfs/dbraw/zinc/57/57/11/370575711.db2.gz MIKJADQAMLMAEV-UHFFFAOYSA-N 2 2 249.383 2.376 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000623786276 371091627 /nfs/dbraw/zinc/09/16/27/371091627.db2.gz CDTXPPJKPPBZSU-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000623786276 371091631 /nfs/dbraw/zinc/09/16/31/371091631.db2.gz CDTXPPJKPPBZSU-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000041030073 181577753 /nfs/dbraw/zinc/57/77/53/181577753.db2.gz OYSLCIAHEJABPU-GFCCVEGCSA-N 2 2 236.384 2.202 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000041030073 181577754 /nfs/dbraw/zinc/57/77/54/181577754.db2.gz OYSLCIAHEJABPU-GFCCVEGCSA-N 2 2 236.384 2.202 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100874 371307018 /nfs/dbraw/zinc/30/70/18/371307018.db2.gz RBFRUAUQEKSJRO-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100874 371307020 /nfs/dbraw/zinc/30/70/20/371307020.db2.gz RBFRUAUQEKSJRO-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CCOC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624189133 371376266 /nfs/dbraw/zinc/37/62/66/371376266.db2.gz ZZBGSGYWCGGWQU-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624189133 371376271 /nfs/dbraw/zinc/37/62/71/371376271.db2.gz ZZBGSGYWCGGWQU-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000624272042 371449208 /nfs/dbraw/zinc/44/92/08/371449208.db2.gz UCHWTRYTWONBSI-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000624272042 371449212 /nfs/dbraw/zinc/44/92/12/371449212.db2.gz UCHWTRYTWONBSI-XQQFMLRXSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000624271937 371453076 /nfs/dbraw/zinc/45/30/76/371453076.db2.gz NCCYXICJDSOUHR-MELADBBJSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000624271937 371453081 /nfs/dbraw/zinc/45/30/81/371453081.db2.gz NCCYXICJDSOUHR-MELADBBJSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC2CCC2)n1C ZINC000631250997 372255445 /nfs/dbraw/zinc/25/54/45/372255445.db2.gz ROGZCXSLADRADU-JTQLQIEISA-N 2 2 221.348 2.397 20 0 BEADLP C[C@H](CC1CCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631250831 372261057 /nfs/dbraw/zinc/26/10/57/372261057.db2.gz PJTLHIQZRMMOPR-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1C ZINC000631755018 372557962 /nfs/dbraw/zinc/55/79/62/372557962.db2.gz WNCYZXNHPJNQRY-AXTSPUMRSA-N 2 2 236.281 2.010 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1C ZINC000631755018 372557969 /nfs/dbraw/zinc/55/79/69/372557969.db2.gz WNCYZXNHPJNQRY-AXTSPUMRSA-N 2 2 236.281 2.010 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@H+](CCOc2ccccc2)C1 ZINC000631831425 372615029 /nfs/dbraw/zinc/61/50/29/372615029.db2.gz DGBGWKGETRLZRM-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP [NH3+][C@@H]1CCCCC[N@@H+](CCOc2ccccc2)C1 ZINC000631831425 372615033 /nfs/dbraw/zinc/61/50/33/372615033.db2.gz DGBGWKGETRLZRM-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834282 372618833 /nfs/dbraw/zinc/61/88/33/372618833.db2.gz UBYWLOYZHIJNRQ-STQMWFEESA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834282 372618836 /nfs/dbraw/zinc/61/88/36/372618836.db2.gz UBYWLOYZHIJNRQ-STQMWFEESA-N 2 2 233.359 2.346 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000631834588 372620029 /nfs/dbraw/zinc/62/00/29/372620029.db2.gz AWKVVMJKDSCIAA-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cn1 ZINC000631834588 372620031 /nfs/dbraw/zinc/62/00/31/372620031.db2.gz AWKVVMJKDSCIAA-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCSc1ccccc1 ZINC000631858846 372658347 /nfs/dbraw/zinc/65/83/47/372658347.db2.gz FBPMMXHZMUYRQX-RYUDHWBXSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCSc1ccccc1 ZINC000631858846 372658350 /nfs/dbraw/zinc/65/83/50/372658350.db2.gz FBPMMXHZMUYRQX-RYUDHWBXSA-N 2 2 236.384 2.200 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631860802 372659466 /nfs/dbraw/zinc/65/94/66/372659466.db2.gz PRNVVGIQJHRSNN-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000631860802 372659472 /nfs/dbraw/zinc/65/94/72/372659472.db2.gz PRNVVGIQJHRSNN-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860800 372660064 /nfs/dbraw/zinc/66/00/64/372660064.db2.gz PRNVVGIQJHRSNN-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860800 372660069 /nfs/dbraw/zinc/66/00/69/372660069.db2.gz PRNVVGIQJHRSNN-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631858258 372656009 /nfs/dbraw/zinc/65/60/09/372656009.db2.gz VIKUTJXVYXHZNG-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631858258 372656015 /nfs/dbraw/zinc/65/60/15/372656015.db2.gz VIKUTJXVYXHZNG-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCC(F)(F)F ZINC000631862522 372663108 /nfs/dbraw/zinc/66/31/08/372663108.db2.gz QKNXVKJGJGDOMA-DTWKUNHWSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000631862522 372663112 /nfs/dbraw/zinc/66/31/12/372663112.db2.gz QKNXVKJGJGDOMA-DTWKUNHWSA-N 2 2 224.270 2.141 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867943 372669710 /nfs/dbraw/zinc/66/97/10/372669710.db2.gz PSQLEIVZCQSGFQ-HIFRSBDPSA-N 2 2 248.345 2.366 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671713 373588826 /nfs/dbraw/zinc/58/88/26/373588826.db2.gz CJNGXTDNILKVOC-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671713 373588830 /nfs/dbraw/zinc/58/88/30/373588830.db2.gz CJNGXTDNILKVOC-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671692 373588971 /nfs/dbraw/zinc/58/89/71/373588971.db2.gz LERZHIZEIKSAHH-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671692 373588978 /nfs/dbraw/zinc/58/89/78/373588978.db2.gz LERZHIZEIKSAHH-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040673032 373591110 /nfs/dbraw/zinc/59/11/10/373591110.db2.gz JHHZYWWNPKQDTE-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000040673032 373591116 /nfs/dbraw/zinc/59/11/16/373591116.db2.gz JHHZYWWNPKQDTE-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1C ZINC000040673054 373591240 /nfs/dbraw/zinc/59/12/40/373591240.db2.gz GWELBFACDNZERA-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1C ZINC000040673054 373591247 /nfs/dbraw/zinc/59/12/47/373591247.db2.gz GWELBFACDNZERA-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP CCCC[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000068986978 169000065 /nfs/dbraw/zinc/00/00/65/169000065.db2.gz IIZUSMXOIYGBAY-LBPRGKRZSA-N 2 2 209.337 2.442 20 0 BEADLP CCC[N@H+](C)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000266205760 169077631 /nfs/dbraw/zinc/07/76/31/169077631.db2.gz KVDQCWAUWZRXEB-CYBMUJFWSA-N 2 2 233.359 2.250 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000266205760 169077632 /nfs/dbraw/zinc/07/76/32/169077632.db2.gz KVDQCWAUWZRXEB-CYBMUJFWSA-N 2 2 233.359 2.250 20 0 BEADLP CCC[N@H+](CC)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000357817356 169130346 /nfs/dbraw/zinc/13/03/46/169130346.db2.gz ZCFPTOILYUXUFC-LBPRGKRZSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000357817356 169130348 /nfs/dbraw/zinc/13/03/48/169130348.db2.gz ZCFPTOILYUXUFC-LBPRGKRZSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@H+](CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000070902199 169139500 /nfs/dbraw/zinc/13/95/00/169139500.db2.gz ROXBKYGENSDEFU-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@@H+](CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000070902199 169139502 /nfs/dbraw/zinc/13/95/02/169139502.db2.gz ROXBKYGENSDEFU-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[NH+](CCC)CCCNCc1[nH]cc[nH+]1 ZINC000066593757 169146723 /nfs/dbraw/zinc/14/67/23/169146723.db2.gz FTNITFPMNUDXGR-UHFFFAOYSA-N 2 2 238.379 2.011 20 0 BEADLP CCC[NH+](CCC)CCC[NH2+]Cc1ncc[nH]1 ZINC000066593757 169146727 /nfs/dbraw/zinc/14/67/27/169146727.db2.gz FTNITFPMNUDXGR-UHFFFAOYSA-N 2 2 238.379 2.011 20 0 BEADLP CCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314641 169175407 /nfs/dbraw/zinc/17/54/07/169175407.db2.gz DKHOTIRZXJZHIM-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314641 169175409 /nfs/dbraw/zinc/17/54/09/169175409.db2.gz DKHOTIRZXJZHIM-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP Oc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054332 183289126 /nfs/dbraw/zinc/28/91/26/183289126.db2.gz YUYZLRCCRLQLRP-UHFFFAOYSA-N 2 2 246.354 2.109 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccco1 ZINC000337342492 169155202 /nfs/dbraw/zinc/15/52/02/169155202.db2.gz VYWHLTNCKAFVAT-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccco1 ZINC000337342492 169155204 /nfs/dbraw/zinc/15/52/04/169155204.db2.gz VYWHLTNCKAFVAT-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CCC[N@H+](CCCn1cc[nH+]c1)CC(F)F ZINC000183170754 169156953 /nfs/dbraw/zinc/15/69/53/169156953.db2.gz MSYCNFRTAGHPIQ-UHFFFAOYSA-N 2 2 231.290 2.250 20 0 BEADLP CCC[N@@H+](CCCn1cc[nH+]c1)CC(F)F ZINC000183170754 169156954 /nfs/dbraw/zinc/15/69/54/169156954.db2.gz MSYCNFRTAGHPIQ-UHFFFAOYSA-N 2 2 231.290 2.250 20 0 BEADLP CCC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071314782 169177428 /nfs/dbraw/zinc/17/74/28/169177428.db2.gz BTURPSWHSBSTDL-CQSZACIVSA-N 2 2 218.344 2.261 20 0 BEADLP CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071314782 169177430 /nfs/dbraw/zinc/17/74/30/169177430.db2.gz BTURPSWHSBSTDL-CQSZACIVSA-N 2 2 218.344 2.261 20 0 BEADLP CCC[NH+]1CCC([N@H+](C)Cc2cccnc2)CC1 ZINC000177050431 169187168 /nfs/dbraw/zinc/18/71/68/169187168.db2.gz NZFOBQCXLOMLRR-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccnc2)CC1 ZINC000177050431 169187169 /nfs/dbraw/zinc/18/71/69/169187169.db2.gz NZFOBQCXLOMLRR-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP c1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000269696718 183323182 /nfs/dbraw/zinc/32/31/82/183323182.db2.gz KMUSMWFTQUJGOQ-UHFFFAOYSA-N 2 2 248.355 2.246 20 0 BEADLP c1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccn1 ZINC000024887439 183340437 /nfs/dbraw/zinc/34/04/37/183340437.db2.gz BABBHDXBBBTONA-UHFFFAOYSA-N 2 2 245.370 2.046 20 0 BEADLP c1cc(O[C@H]2CC[N@@H+](C3CCCC3)C2)cc[nH+]1 ZINC000120162788 183359508 /nfs/dbraw/zinc/35/95/08/183359508.db2.gz HKUWREIQUBDGQN-AWEZNQCLSA-N 2 2 232.327 2.477 20 0 BEADLP c1cc(O[C@H]2CC[N@H+](C3CCCC3)C2)cc[nH+]1 ZINC000120162788 183359509 /nfs/dbraw/zinc/35/95/09/183359509.db2.gz HKUWREIQUBDGQN-AWEZNQCLSA-N 2 2 232.327 2.477 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]1 ZINC000266919876 183398497 /nfs/dbraw/zinc/39/84/97/183398497.db2.gz LLVVMNAFDUCVCH-GFCCVEGCSA-N 2 2 242.326 2.184 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)[nH]1 ZINC000266919876 183398498 /nfs/dbraw/zinc/39/84/98/183398498.db2.gz LLVVMNAFDUCVCH-GFCCVEGCSA-N 2 2 242.326 2.184 20 0 BEADLP CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284350217 169291787 /nfs/dbraw/zinc/29/17/87/169291787.db2.gz RZZFEXNGNLBALQ-UONOGXRCSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284350217 169291789 /nfs/dbraw/zinc/29/17/89/169291789.db2.gz RZZFEXNGNLBALQ-UONOGXRCSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040770989 169369535 /nfs/dbraw/zinc/36/95/35/169369535.db2.gz AFDZHPPNGHUSCX-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291631810 169359336 /nfs/dbraw/zinc/35/93/36/169359336.db2.gz SLULHQXVLNSYNN-LLVKDONJSA-N 2 2 207.321 2.135 20 0 BEADLP CCC[C@@H](C)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291631810 169359338 /nfs/dbraw/zinc/35/93/38/169359338.db2.gz SLULHQXVLNSYNN-LLVKDONJSA-N 2 2 207.321 2.135 20 0 BEADLP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1(C)C ZINC000085380058 134345003 /nfs/dbraw/zinc/34/50/03/134345003.db2.gz CODWICHRIMRKDL-NWDGAFQWSA-N 2 2 242.407 2.120 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400356497 533009779 /nfs/dbraw/zinc/00/97/79/533009779.db2.gz BJDCPAXWYXNAND-SGMGOOAPSA-N 2 2 248.370 2.486 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccccc1 ZINC000066189884 383850880 /nfs/dbraw/zinc/85/08/80/383850880.db2.gz JFOAGYWQPSUUNF-ZDUSSCGKSA-N 2 2 206.333 2.337 20 0 BEADLP Nc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000087782145 383864269 /nfs/dbraw/zinc/86/42/69/383864269.db2.gz BCVLDQAFDUAHQT-OLZOCXBDSA-N 2 2 231.343 2.428 20 0 BEADLP Nc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000087782145 383864273 /nfs/dbraw/zinc/86/42/73/383864273.db2.gz BCVLDQAFDUAHQT-OLZOCXBDSA-N 2 2 231.343 2.428 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000036996837 383929033 /nfs/dbraw/zinc/92/90/33/383929033.db2.gz BDWFGICOJHVPJC-NWANDNLSSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000036996837 383929038 /nfs/dbraw/zinc/92/90/38/383929038.db2.gz BDWFGICOJHVPJC-NWANDNLSSA-N 2 2 245.370 2.359 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560113872 383905388 /nfs/dbraw/zinc/90/53/88/383905388.db2.gz NJXFTOUGEBYKGT-NHAGDIPZSA-N 2 2 248.370 2.478 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000336479248 383981401 /nfs/dbraw/zinc/98/14/01/383981401.db2.gz GWQZUGUPBZDGGJ-NEPJUHHUSA-N 2 2 233.359 2.366 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234188480 383996455 /nfs/dbraw/zinc/99/64/55/383996455.db2.gz SJNJUONYICOLQW-AWEZNQCLSA-N 2 2 218.344 2.091 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)n1 ZINC000643545241 384011058 /nfs/dbraw/zinc/01/10/58/384011058.db2.gz QYCZXIAZSGXQMV-KGLIPLIRSA-N 2 2 247.386 2.491 20 0 BEADLP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545358 384012407 /nfs/dbraw/zinc/01/24/07/384012407.db2.gz DXOGIEWSVCGHNZ-ZIAGYGMSSA-N 2 2 245.370 2.191 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718656 384014422 /nfs/dbraw/zinc/01/44/22/384014422.db2.gz XYVGJFMJDSKPMR-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718656 384014427 /nfs/dbraw/zinc/01/44/27/384014427.db2.gz XYVGJFMJDSKPMR-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)no1 ZINC000643547799 384035322 /nfs/dbraw/zinc/03/53/22/384035322.db2.gz JEBZKTRQHSVAHY-NEPJUHHUSA-N 2 2 249.358 2.308 20 0 BEADLP C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000647258043 384081603 /nfs/dbraw/zinc/08/16/03/384081603.db2.gz LHNSLGNDQBYMGY-PWSUYJOCSA-N 2 2 247.367 2.318 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000163213874 384177511 /nfs/dbraw/zinc/17/75/11/384177511.db2.gz FGNUTDODWHLUQN-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000163213874 384177516 /nfs/dbraw/zinc/17/75/16/384177516.db2.gz FGNUTDODWHLUQN-UWVGGRQHSA-N 2 2 240.297 2.134 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081623069 384195673 /nfs/dbraw/zinc/19/56/73/384195673.db2.gz LYEZNZHMHGQMAL-OLZOCXBDSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(-c2cccc3c2CC[NH2+]C3)c[nH+]c1N ZINC000072164731 384198435 /nfs/dbraw/zinc/19/84/35/384198435.db2.gz ZUNLXJSMHWRSDT-UHFFFAOYSA-N 2 2 239.322 2.285 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC000133188140 384232303 /nfs/dbraw/zinc/23/23/03/384232303.db2.gz WYQUZDYCPDNWLG-LBPRGKRZSA-N 2 2 224.373 2.159 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000133188140 384232306 /nfs/dbraw/zinc/23/23/06/384232306.db2.gz WYQUZDYCPDNWLG-LBPRGKRZSA-N 2 2 224.373 2.159 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC000042545780 384232347 /nfs/dbraw/zinc/23/23/47/384232347.db2.gz DCLJEIVFQVRKKP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC000042545780 384232349 /nfs/dbraw/zinc/23/23/49/384232349.db2.gz DCLJEIVFQVRKKP-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313287889 384236343 /nfs/dbraw/zinc/23/63/43/384236343.db2.gz YJKVGBSEEIYYAO-UHFFFAOYSA-N 2 2 229.327 2.061 20 0 BEADLP CCOC[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000313296141 384237959 /nfs/dbraw/zinc/23/79/59/384237959.db2.gz QASQFQGVAHMGLG-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CCOC[C@@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000313296141 384237966 /nfs/dbraw/zinc/23/79/66/384237966.db2.gz QASQFQGVAHMGLG-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)CC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000082269915 384220438 /nfs/dbraw/zinc/22/04/38/384220438.db2.gz HTUITZJZHYYZKU-CYBMUJFWSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000082269915 384220441 /nfs/dbraw/zinc/22/04/41/384220441.db2.gz HTUITZJZHYYZKU-CYBMUJFWSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000082269915 384220446 /nfs/dbraw/zinc/22/04/46/384220446.db2.gz HTUITZJZHYYZKU-CYBMUJFWSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000082269915 384220448 /nfs/dbraw/zinc/22/04/48/384220448.db2.gz HTUITZJZHYYZKU-CYBMUJFWSA-N 2 2 210.365 2.203 20 0 BEADLP c1coc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093596911 384250423 /nfs/dbraw/zinc/25/04/23/384250423.db2.gz OIGXDBGFQVNQJN-ZDUSSCGKSA-N 2 2 234.343 2.197 20 0 BEADLP c1coc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093596911 384250427 /nfs/dbraw/zinc/25/04/27/384250427.db2.gz OIGXDBGFQVNQJN-ZDUSSCGKSA-N 2 2 234.343 2.197 20 0 BEADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCC1 ZINC000313313845 384257325 /nfs/dbraw/zinc/25/73/25/384257325.db2.gz ZOEYAPKJCUOIAR-ZDUSSCGKSA-N 2 2 221.348 2.131 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000644166426 384257640 /nfs/dbraw/zinc/25/76/40/384257640.db2.gz CEEFGPSSGKBVSO-MGPQQGTHSA-N 2 2 245.370 2.319 20 0 BEADLP c1[nH]c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000093690100 384260577 /nfs/dbraw/zinc/26/05/77/384260577.db2.gz DQRXUHPVISTNMG-RYUDHWBXSA-N 2 2 237.372 2.270 20 0 BEADLP c1[nH]c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000093690100 384260583 /nfs/dbraw/zinc/26/05/83/384260583.db2.gz DQRXUHPVISTNMG-RYUDHWBXSA-N 2 2 237.372 2.270 20 0 BEADLP CCC1CC([NH2+]C[C@H](C)[N@H+](C)C2CC2)C1 ZINC000309164752 384271108 /nfs/dbraw/zinc/27/11/08/384271108.db2.gz IMRIUUNDPQVESA-UNXYVOJBSA-N 2 2 210.365 2.247 20 0 BEADLP CCC1CC([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000309164752 384271113 /nfs/dbraw/zinc/27/11/13/384271113.db2.gz IMRIUUNDPQVESA-UNXYVOJBSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300060101 384288406 /nfs/dbraw/zinc/28/84/06/384288406.db2.gz DAUGSZZKFQFBME-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]1CCC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452083 384288817 /nfs/dbraw/zinc/28/88/17/384288817.db2.gz YBAOVLXDFOTWGT-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CCC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000179452083 384288819 /nfs/dbraw/zinc/28/88/19/384288819.db2.gz YBAOVLXDFOTWGT-QWHCGFSZSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cn1 ZINC000228858533 384346185 /nfs/dbraw/zinc/34/61/85/384346185.db2.gz NTCFQVBYDDXMOJ-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cn1 ZINC000228858533 384346193 /nfs/dbraw/zinc/34/61/93/384346193.db2.gz NTCFQVBYDDXMOJ-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1c[nH+]c(CCn2cc[nH+]c2)c(C)c1 ZINC000335620486 384397954 /nfs/dbraw/zinc/39/79/54/384397954.db2.gz ALPLLDGHJQYSLT-UHFFFAOYSA-N 2 2 201.273 2.138 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH+](C)C)C1CCCC1 ZINC000313475997 384415200 /nfs/dbraw/zinc/41/52/00/384415200.db2.gz TVULSEUXDGIZPF-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccoc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000135137773 384415348 /nfs/dbraw/zinc/41/53/48/384415348.db2.gz HDQUUSVUUKSPRD-UHFFFAOYSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000335644269 384416441 /nfs/dbraw/zinc/41/64/41/384416441.db2.gz SQIYEUGDRZQFFE-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000309160279 384434668 /nfs/dbraw/zinc/43/46/68/384434668.db2.gz YSQVUDFCPYJTPS-JTQLQIEISA-N 2 2 208.349 2.001 20 0 BEADLP CC1(C)CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000309160279 384434672 /nfs/dbraw/zinc/43/46/72/384434672.db2.gz YSQVUDFCPYJTPS-JTQLQIEISA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(F)c(Cl)c1 ZINC000037712613 384511874 /nfs/dbraw/zinc/51/18/74/384511874.db2.gz OTJLFCUOCXNZIC-ZETCQYMHSA-N 2 2 216.687 2.088 20 0 BEADLP Cc1ccc(C[N@H+](C)CCn2cc[nH+]c2)s1 ZINC000161588192 384506106 /nfs/dbraw/zinc/50/61/06/384506106.db2.gz OSDSKNACTHKJIL-UHFFFAOYSA-N 2 2 235.356 2.385 20 0 BEADLP Cc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)s1 ZINC000161588192 384506114 /nfs/dbraw/zinc/50/61/14/384506114.db2.gz OSDSKNACTHKJIL-UHFFFAOYSA-N 2 2 235.356 2.385 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000097050800 384491349 /nfs/dbraw/zinc/49/13/49/384491349.db2.gz GKBWQQSWLKFEGV-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000097050797 384491693 /nfs/dbraw/zinc/49/16/93/384491693.db2.gz JCWCSKATCIVJMM-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000230984962 384521736 /nfs/dbraw/zinc/52/17/36/384521736.db2.gz HAFVCXQMOHQUBH-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000037741968 384525454 /nfs/dbraw/zinc/52/54/54/384525454.db2.gz TZIMYYSTACVWEM-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000037741968 384525461 /nfs/dbraw/zinc/52/54/61/384525461.db2.gz TZIMYYSTACVWEM-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)[C@H]1C ZINC000309731159 384570465 /nfs/dbraw/zinc/57/04/65/384570465.db2.gz BDZREJROSMTINO-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)[C@H]1C ZINC000309731159 384570469 /nfs/dbraw/zinc/57/04/69/384570469.db2.gz BDZREJROSMTINO-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065499 384577300 /nfs/dbraw/zinc/57/73/00/384577300.db2.gz BZHYOFULKJABQM-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000643065499 384577306 /nfs/dbraw/zinc/57/73/06/384577306.db2.gz BZHYOFULKJABQM-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccco1 ZINC000020129031 384582193 /nfs/dbraw/zinc/58/21/93/384582193.db2.gz BEKAHIHYZFXSBW-LBPRGKRZSA-N 2 2 222.332 2.416 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068808 384582125 /nfs/dbraw/zinc/58/21/25/384582125.db2.gz LMSALGDCYCXNDJ-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643068808 384582127 /nfs/dbraw/zinc/58/21/27/384582127.db2.gz LMSALGDCYCXNDJ-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000020128961 384582943 /nfs/dbraw/zinc/58/29/43/384582943.db2.gz PZUGPQSNWNMHNG-UHFFFAOYSA-N 2 2 222.332 2.164 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000184250650 384586659 /nfs/dbraw/zinc/58/66/59/384586659.db2.gz CHWPXSAEVYWFDR-CYBMUJFWSA-N 2 2 244.342 2.327 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000036888773 384627790 /nfs/dbraw/zinc/62/77/90/384627790.db2.gz KGAWCGMMNJYALW-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000036888773 384627798 /nfs/dbraw/zinc/62/77/98/384627798.db2.gz KGAWCGMMNJYALW-JTQLQIEISA-N 2 2 240.297 2.136 20 0 BEADLP Cc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643069774 384591414 /nfs/dbraw/zinc/59/14/14/384591414.db2.gz XTZKMUJFVDUAIO-DZGCQCFKSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643069774 384591420 /nfs/dbraw/zinc/59/14/20/384591420.db2.gz XTZKMUJFVDUAIO-DZGCQCFKSA-N 2 2 230.355 2.179 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041064009 384601757 /nfs/dbraw/zinc/60/17/57/384601757.db2.gz XJUHSUWXBBIWQM-GFCCVEGCSA-N 2 2 245.326 2.243 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449456689 384666867 /nfs/dbraw/zinc/66/68/67/384666867.db2.gz MXYDTKMHEQYNNJ-SOHMCZBRSA-N 2 2 208.349 2.025 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449456689 384666874 /nfs/dbraw/zinc/66/68/74/384666874.db2.gz MXYDTKMHEQYNNJ-SOHMCZBRSA-N 2 2 208.349 2.025 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C ZINC000647532753 384640043 /nfs/dbraw/zinc/64/00/43/384640043.db2.gz CNBAVTFEDKEGML-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1C ZINC000647532753 384640051 /nfs/dbraw/zinc/64/00/51/384640051.db2.gz CNBAVTFEDKEGML-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000647533575 384643975 /nfs/dbraw/zinc/64/39/75/384643975.db2.gz UVROYELCOVSQMM-YPMHNXCESA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)s1 ZINC000647533575 384643983 /nfs/dbraw/zinc/64/39/83/384643983.db2.gz UVROYELCOVSQMM-YPMHNXCESA-N 2 2 236.384 2.240 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356277 384644337 /nfs/dbraw/zinc/64/43/37/384644337.db2.gz JNJGSCRZMMQOKK-KDBYPZKRSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356277 384644340 /nfs/dbraw/zinc/64/43/40/384644340.db2.gz JNJGSCRZMMQOKK-KDBYPZKRSA-N 2 2 234.387 2.247 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CC[NH3+])c(C)c1 ZINC000053299939 384650775 /nfs/dbraw/zinc/65/07/75/384650775.db2.gz SHZYCOURDNLCMM-UHFFFAOYSA-N 2 2 206.333 2.002 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CC[NH3+])c(C)c1 ZINC000053299939 384650780 /nfs/dbraw/zinc/65/07/80/384650780.db2.gz SHZYCOURDNLCMM-UHFFFAOYSA-N 2 2 206.333 2.002 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000082293972 384662703 /nfs/dbraw/zinc/66/27/03/384662703.db2.gz HCUWQUIHNHBFMP-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000082293972 384662708 /nfs/dbraw/zinc/66/27/08/384662708.db2.gz HCUWQUIHNHBFMP-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086729723 384678580 /nfs/dbraw/zinc/67/85/80/384678580.db2.gz YWLUAPYIDBFARD-QWHCGFSZSA-N 2 2 204.317 2.089 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC34CC4)n2c1 ZINC000335275954 384708673 /nfs/dbraw/zinc/70/86/73/384708673.db2.gz CFIXEZVHBLLOMB-GFCCVEGCSA-N 2 2 227.311 2.285 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC34CC4)n2c1 ZINC000335275958 384708868 /nfs/dbraw/zinc/70/88/68/384708868.db2.gz CFIXEZVHBLLOMB-LBPRGKRZSA-N 2 2 227.311 2.285 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nccs1 ZINC000083142995 384745601 /nfs/dbraw/zinc/74/56/01/384745601.db2.gz QYRHBNAFINZGKZ-ZJUUUORDSA-N 2 2 236.344 2.079 20 0 BEADLP Cc1ccncc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553658 384768331 /nfs/dbraw/zinc/76/83/31/384768331.db2.gz GKSZVKBAYOFCSD-CQSZACIVSA-N 2 2 245.370 2.154 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000054110081 384823593 /nfs/dbraw/zinc/82/35/93/384823593.db2.gz HCZUKRKQSCLADP-CYBMUJFWSA-N 2 2 220.360 2.331 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000054110081 384823596 /nfs/dbraw/zinc/82/35/96/384823596.db2.gz HCZUKRKQSCLADP-CYBMUJFWSA-N 2 2 220.360 2.331 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000301002417 384826608 /nfs/dbraw/zinc/82/66/08/384826608.db2.gz XHENZBQNHXUTOS-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000301002417 384826613 /nfs/dbraw/zinc/82/66/13/384826613.db2.gz XHENZBQNHXUTOS-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423355027 384833056 /nfs/dbraw/zinc/83/30/56/384833056.db2.gz DTNXMVDRJPCTAG-KMUNFCNLSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCOC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186327300 384834944 /nfs/dbraw/zinc/83/49/44/384834944.db2.gz ZPAJOVRMDCUSJS-BPLDGKMQSA-N 2 2 248.370 2.056 20 0 BEADLP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000423250931 384782436 /nfs/dbraw/zinc/78/24/36/384782436.db2.gz RFSCMSMDLMMBOD-RBSFLKMASA-N 2 2 230.355 2.465 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053389595 384788201 /nfs/dbraw/zinc/78/82/01/384788201.db2.gz ZAFVMIVGUPMXGT-NSHDSACASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053389595 384788205 /nfs/dbraw/zinc/78/82/05/384788205.db2.gz ZAFVMIVGUPMXGT-NSHDSACASA-N 2 2 222.376 2.106 20 0 BEADLP Fc1ccc2c(c1)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000163367729 384795872 /nfs/dbraw/zinc/79/58/72/384795872.db2.gz DRBQHZISPVBHOH-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP Fc1ccc2c(c1)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000163367729 384795878 /nfs/dbraw/zinc/79/58/78/384795878.db2.gz DRBQHZISPVBHOH-UHFFFAOYSA-N 2 2 245.301 2.081 20 0 BEADLP C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1[nH]cc[nH+]1 ZINC000367638787 384803482 /nfs/dbraw/zinc/80/34/82/384803482.db2.gz QMKQJSHYLNWPHZ-PNESKVBLSA-N 2 2 248.374 2.077 20 0 BEADLP c1ncc(C[NH2+]CCC[NH+]2CCCCC2)s1 ZINC000054770197 384854714 /nfs/dbraw/zinc/85/47/14/384854714.db2.gz BPVFUILYJDBNHE-UHFFFAOYSA-N 2 2 239.388 2.109 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC000225574869 384868664 /nfs/dbraw/zinc/86/86/64/384868664.db2.gz QRRYNSSHMWMHIQ-ZIAGYGMSSA-N 2 2 218.344 2.431 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC000225574869 384868667 /nfs/dbraw/zinc/86/86/67/384868667.db2.gz QRRYNSSHMWMHIQ-ZIAGYGMSSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000128498862 384952741 /nfs/dbraw/zinc/95/27/41/384952741.db2.gz LIQNXVXFLVSASL-SNVBAGLBSA-N 2 2 215.300 2.222 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000049714431 384897317 /nfs/dbraw/zinc/89/73/17/384897317.db2.gz IQUMHWKCVVIFHI-MWLCHTKSSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000049714431 384897321 /nfs/dbraw/zinc/89/73/21/384897321.db2.gz IQUMHWKCVVIFHI-MWLCHTKSSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H](Nc1cccc[nH+]1)C(C)(C)C[NH+](C)C ZINC000301661312 384908591 /nfs/dbraw/zinc/90/85/91/384908591.db2.gz XPWJPONEQZDTFV-NSHDSACASA-N 2 2 221.348 2.470 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000149330070 384926211 /nfs/dbraw/zinc/92/62/11/384926211.db2.gz ZZAVRXKDNJMXEE-OAHLLOKOSA-N 2 2 241.338 2.469 20 0 BEADLP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)c[nH]1 ZINC000175705845 384946091 /nfs/dbraw/zinc/94/60/91/384946091.db2.gz OUDAEMIFYNAJOT-UHFFFAOYSA-N 2 2 244.342 2.392 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261587700 384964952 /nfs/dbraw/zinc/96/49/52/384964952.db2.gz VDBWABGFIWPBQH-RYUDHWBXSA-N 2 2 247.342 2.236 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccco1)C[NH+]1CCCC1 ZINC000057994225 384975818 /nfs/dbraw/zinc/97/58/18/384975818.db2.gz HREOKYMNHVEWET-LBPRGKRZSA-N 2 2 222.332 2.101 20 0 BEADLP C[N@H+](Cc1nc2ccccc2s1)C1CC([NH3+])C1 ZINC000336233399 384982941 /nfs/dbraw/zinc/98/29/41/384982941.db2.gz GFZXCFBNOYBIEM-UHFFFAOYSA-N 2 2 247.367 2.218 20 0 BEADLP C[N@@H+](Cc1nc2ccccc2s1)C1CC([NH3+])C1 ZINC000336233399 384982949 /nfs/dbraw/zinc/98/29/49/384982949.db2.gz GFZXCFBNOYBIEM-UHFFFAOYSA-N 2 2 247.367 2.218 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cncs1 ZINC000156881489 385003628 /nfs/dbraw/zinc/00/36/28/385003628.db2.gz NDEKJEZVIHGNTN-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cncs1 ZINC000156881489 385003632 /nfs/dbraw/zinc/00/36/32/385003632.db2.gz NDEKJEZVIHGNTN-GARJFASQSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cncs1 ZINC000156881762 385005317 /nfs/dbraw/zinc/00/53/17/385005317.db2.gz NDEKJEZVIHGNTN-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cncs1 ZINC000156881762 385005324 /nfs/dbraw/zinc/00/53/24/385005324.db2.gz NDEKJEZVIHGNTN-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@@H](F)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000339491820 385006792 /nfs/dbraw/zinc/00/67/92/385006792.db2.gz OBCVZGGVUXDDAW-SNVBAGLBSA-N 2 2 221.279 2.172 20 0 BEADLP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)sn1 ZINC000404468857 385014750 /nfs/dbraw/zinc/01/47/50/385014750.db2.gz ZEVIBIOFPSIFIZ-UHFFFAOYSA-N 2 2 241.404 2.129 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000130910105 385063753 /nfs/dbraw/zinc/06/37/53/385063753.db2.gz NWYSRYVLAYVXAQ-NEPJUHHUSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000130910105 385063757 /nfs/dbraw/zinc/06/37/57/385063757.db2.gz NWYSRYVLAYVXAQ-NEPJUHHUSA-N 2 2 212.381 2.493 20 0 BEADLP CCC1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000336666060 385065267 /nfs/dbraw/zinc/06/52/67/385065267.db2.gz DYHWMXODDLTLPM-RYSNWHEDSA-N 2 2 224.392 2.495 20 0 BEADLP CCC1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000336666060 385065273 /nfs/dbraw/zinc/06/52/73/385065273.db2.gz DYHWMXODDLTLPM-RYSNWHEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000340477801 385069503 /nfs/dbraw/zinc/06/95/03/385069503.db2.gz IKCDAFYKCOINQS-NEPJUHHUSA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000340477801 385069507 /nfs/dbraw/zinc/06/95/07/385069507.db2.gz IKCDAFYKCOINQS-NEPJUHHUSA-N 2 2 222.376 2.390 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000053201370 385031589 /nfs/dbraw/zinc/03/15/89/385031589.db2.gz YZFKTVXOEIQECC-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000053201370 385031596 /nfs/dbraw/zinc/03/15/96/385031596.db2.gz YZFKTVXOEIQECC-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000226708726 385045704 /nfs/dbraw/zinc/04/57/04/385045704.db2.gz UGSXCGCEIKEEMD-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000226708726 385045714 /nfs/dbraw/zinc/04/57/14/385045714.db2.gz UGSXCGCEIKEEMD-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000165422218 385122579 /nfs/dbraw/zinc/12/25/79/385122579.db2.gz VXOJNCYAYSDWLR-NWDGAFQWSA-N 2 2 222.332 2.242 20 0 BEADLP CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793650 385189749 /nfs/dbraw/zinc/18/97/49/385189749.db2.gz MSRUJMBXIQANOF-UHFFFAOYSA-N 2 2 207.321 2.320 20 0 BEADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000177208825 385197749 /nfs/dbraw/zinc/19/77/49/385197749.db2.gz IREQEEZLVRZGFI-NSHDSACASA-N 2 2 242.326 2.155 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000157505243 385202291 /nfs/dbraw/zinc/20/22/91/385202291.db2.gz PFLNOZMXIDGENH-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000157505243 385202298 /nfs/dbraw/zinc/20/22/98/385202298.db2.gz PFLNOZMXIDGENH-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP Cl/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157359373 385151997 /nfs/dbraw/zinc/15/19/97/385151997.db2.gz XSYNTHWWFYTHBB-PYEVWLCESA-N 2 2 228.767 2.157 20 0 BEADLP Cl/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157359373 385152001 /nfs/dbraw/zinc/15/20/01/385152001.db2.gz XSYNTHWWFYTHBB-PYEVWLCESA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000110111882 385211013 /nfs/dbraw/zinc/21/10/13/385211013.db2.gz WTHLJEWKNUPWHG-UHFFFAOYSA-N 2 2 248.374 2.354 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[NH+](C)C ZINC000308860007 385222375 /nfs/dbraw/zinc/22/23/75/385222375.db2.gz RCRBOPIFACWVOL-RAIGVLPGSA-N 2 2 210.365 2.105 20 0 BEADLP CCCC[C@@H](CC)[NH2+]CC[N@H+](C)CC ZINC000068987616 385235043 /nfs/dbraw/zinc/23/50/43/385235043.db2.gz RTENCSHZZVAEJP-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP CCCC[C@@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000068987616 385235051 /nfs/dbraw/zinc/23/50/51/385235051.db2.gz RTENCSHZZVAEJP-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000308892097 385247054 /nfs/dbraw/zinc/24/70/54/385247054.db2.gz YAPFMTPDMQJHDS-BDAKNGLRSA-N 2 2 226.286 2.257 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346629657 385253602 /nfs/dbraw/zinc/25/36/02/385253602.db2.gz FSRYZETWNVSVFG-GXTWGEPZSA-N 2 2 234.343 2.090 20 0 BEADLP CCC1(C)CCC([NH2+]CC[NH+](C)C)CC1 ZINC000308951480 385305311 /nfs/dbraw/zinc/30/53/11/385305311.db2.gz PFICUWRZFLZWHI-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP c1[nH]c(C[NH2+][C@H]2CC3CCC2CC3)c[nH+]1 ZINC000308948653 385310004 /nfs/dbraw/zinc/31/00/04/385310004.db2.gz TYVVEXGRARRUOY-CBINBANVSA-N 2 2 205.305 2.078 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C[NH+](C)C ZINC000157943573 385317596 /nfs/dbraw/zinc/31/75/96/385317596.db2.gz DORVVXDCAIADHB-VXGBXAGGSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000294864374 385275711 /nfs/dbraw/zinc/27/57/11/385275711.db2.gz WCZMNQAORNXXKU-LLVKDONJSA-N 2 2 209.337 2.297 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccc(Cl)o1)C[NH+](C)C ZINC000308943366 385299494 /nfs/dbraw/zinc/29/94/94/385299494.db2.gz VNHLWMKSUTZVSZ-VIFPVBQESA-N 2 2 230.739 2.220 20 0 BEADLP C[C@H](C[NH2+]C1Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000131043783 385301756 /nfs/dbraw/zinc/30/17/56/385301756.db2.gz ZISILMAPOZZBLJ-GFCCVEGCSA-N 2 2 244.382 2.226 20 0 BEADLP C[C@H](C[NH2+]C1Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000131043783 385301760 /nfs/dbraw/zinc/30/17/60/385301760.db2.gz ZISILMAPOZZBLJ-GFCCVEGCSA-N 2 2 244.382 2.226 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)o1 ZINC000131389591 385329117 /nfs/dbraw/zinc/32/91/17/385329117.db2.gz GEQRMRKERDZDNA-GFCCVEGCSA-N 2 2 247.342 2.464 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000309063952 385390616 /nfs/dbraw/zinc/39/06/16/385390616.db2.gz YHMUYFOTFLZKCL-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC2(C)C)CCC1 ZINC000309043708 385387507 /nfs/dbraw/zinc/38/75/07/385387507.db2.gz LOQKJCABCAETDR-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309056016 385387632 /nfs/dbraw/zinc/38/76/32/385387632.db2.gz ULNWOEKINDJTIM-OLZOCXBDSA-N 2 2 210.365 2.106 20 0 BEADLP CCC[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309089835 385412334 /nfs/dbraw/zinc/41/23/34/385412334.db2.gz BTWSAFZSLOMOQU-ZDUSSCGKSA-N 2 2 210.365 2.417 20 0 BEADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309089835 385412338 /nfs/dbraw/zinc/41/23/38/385412338.db2.gz BTWSAFZSLOMOQU-ZDUSSCGKSA-N 2 2 210.365 2.417 20 0 BEADLP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCC[N@@H+]1C ZINC000309090943 385414128 /nfs/dbraw/zinc/41/41/28/385414128.db2.gz BEQRFHPLZDKSIE-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCC[N@H+]1C ZINC000309090943 385414130 /nfs/dbraw/zinc/41/41/30/385414130.db2.gz BEQRFHPLZDKSIE-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@H]([NH3+])CCC(C)C ZINC000257670437 385485383 /nfs/dbraw/zinc/48/53/83/385485383.db2.gz GUKBAHXLFHFNSD-LLVKDONJSA-N 2 2 235.331 2.092 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@@H]([NH3+])CCC(C)C ZINC000257670438 385485444 /nfs/dbraw/zinc/48/54/44/385485444.db2.gz GUKBAHXLFHFNSD-NSHDSACASA-N 2 2 235.331 2.092 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000309197193 385460397 /nfs/dbraw/zinc/46/03/97/385460397.db2.gz QSZWUAOPFTZQNQ-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000309197193 385460400 /nfs/dbraw/zinc/46/04/00/385460400.db2.gz QSZWUAOPFTZQNQ-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000309197191 385460584 /nfs/dbraw/zinc/46/05/84/385460584.db2.gz QSZWUAOPFTZQNQ-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000309197191 385460587 /nfs/dbraw/zinc/46/05/87/385460587.db2.gz QSZWUAOPFTZQNQ-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336768483 385460647 /nfs/dbraw/zinc/46/06/47/385460647.db2.gz UHVXBEYYDNXKMZ-NWDGAFQWSA-N 2 2 216.344 2.056 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336768483 385460651 /nfs/dbraw/zinc/46/06/51/385460651.db2.gz UHVXBEYYDNXKMZ-NWDGAFQWSA-N 2 2 216.344 2.056 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868232 385536714 /nfs/dbraw/zinc/53/67/14/385536714.db2.gz HDZCSLGEVUXOIA-CHWSQXEVSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868232 385536717 /nfs/dbraw/zinc/53/67/17/385536717.db2.gz HDZCSLGEVUXOIA-CHWSQXEVSA-N 2 2 249.358 2.008 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309415425 385575189 /nfs/dbraw/zinc/57/51/89/385575189.db2.gz XHGOQNHXRXFECN-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000309394677 385561700 /nfs/dbraw/zinc/56/17/00/385561700.db2.gz VAZZOPHAPQACJQ-RYSNWHEDSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000309394677 385561704 /nfs/dbraw/zinc/56/17/04/385561704.db2.gz VAZZOPHAPQACJQ-RYSNWHEDSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1ccc([C@H](C)[N@H+](C)CC[NH3+])c(C)c1 ZINC000054416742 385582715 /nfs/dbraw/zinc/58/27/15/385582715.db2.gz YKAAMLGHHBJXJB-LBPRGKRZSA-N 2 2 206.333 2.255 20 0 BEADLP Cc1ccc([C@H](C)[N@@H+](C)CC[NH3+])c(C)c1 ZINC000054416742 385582718 /nfs/dbraw/zinc/58/27/18/385582718.db2.gz YKAAMLGHHBJXJB-LBPRGKRZSA-N 2 2 206.333 2.255 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccn1 ZINC000181804648 385605968 /nfs/dbraw/zinc/60/59/68/385605968.db2.gz XVGLVVIULJYFAC-OLZOCXBDSA-N 2 2 233.359 2.217 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccn1 ZINC000181804648 385605974 /nfs/dbraw/zinc/60/59/74/385605974.db2.gz XVGLVVIULJYFAC-OLZOCXBDSA-N 2 2 233.359 2.217 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)C[C@H](C)O)c[nH+]1 ZINC000354639103 385606144 /nfs/dbraw/zinc/60/61/44/385606144.db2.gz WNURHODOBUSSPD-OLZOCXBDSA-N 2 2 236.359 2.072 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000063191627 385608743 /nfs/dbraw/zinc/60/87/43/385608743.db2.gz BQTDDNOWQDUJGO-PWSUYJOCSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000063191627 385608747 /nfs/dbraw/zinc/60/87/47/385608747.db2.gz BQTDDNOWQDUJGO-PWSUYJOCSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000250895048 385611972 /nfs/dbraw/zinc/61/19/72/385611972.db2.gz IDBCMFNOHYPXPG-IHRRRGAJSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000250895048 385611975 /nfs/dbraw/zinc/61/19/75/385611975.db2.gz IDBCMFNOHYPXPG-IHRRRGAJSA-N 2 2 245.370 2.359 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000336682019 385639845 /nfs/dbraw/zinc/63/98/45/385639845.db2.gz DEMMMGJMDWGFLX-BBCYWQGDSA-N 2 2 222.376 2.247 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000336682019 385639847 /nfs/dbraw/zinc/63/98/47/385639847.db2.gz DEMMMGJMDWGFLX-BBCYWQGDSA-N 2 2 222.376 2.247 20 0 BEADLP COc1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414851067 385646842 /nfs/dbraw/zinc/64/68/42/385646842.db2.gz SXICZJOHCOYXCB-ZBKLQPJUSA-N 2 2 246.354 2.050 20 0 BEADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCSC2)C1 ZINC000309516596 385649411 /nfs/dbraw/zinc/64/94/11/385649411.db2.gz YWSYYIXUGMDFAH-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCSC2)C1 ZINC000309516596 385649415 /nfs/dbraw/zinc/64/94/15/385649415.db2.gz YWSYYIXUGMDFAH-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP C[NH+]1CCC([NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000182242097 385649912 /nfs/dbraw/zinc/64/99/12/385649912.db2.gz IDEOTIPRLKFHQW-UHFFFAOYSA-N 2 2 248.345 2.499 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000337408043 385651418 /nfs/dbraw/zinc/65/14/18/385651418.db2.gz UHLUYASYWHEPET-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCCc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414851363 385652739 /nfs/dbraw/zinc/65/27/39/385652739.db2.gz UEZNPHDDRRCBCS-OAHLLOKOSA-N 2 2 232.371 2.481 20 0 BEADLP CC[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000337420069 385653331 /nfs/dbraw/zinc/65/33/31/385653331.db2.gz PHNMGANJXOPHSY-ZDUSSCGKSA-N 2 2 233.359 2.311 20 0 BEADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cncs1 ZINC000281308668 385654917 /nfs/dbraw/zinc/65/49/17/385654917.db2.gz QFNBKWJFFZPVDU-UHFFFAOYSA-N 2 2 239.388 2.061 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cncs1 ZINC000281308668 385654920 /nfs/dbraw/zinc/65/49/20/385654920.db2.gz QFNBKWJFFZPVDU-UHFFFAOYSA-N 2 2 239.388 2.061 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555246 385686858 /nfs/dbraw/zinc/68/68/58/385686858.db2.gz JLWFYDJHUJCFSR-MDZLAQPJSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000309555246 385686861 /nfs/dbraw/zinc/68/68/61/385686861.db2.gz JLWFYDJHUJCFSR-MDZLAQPJSA-N 2 2 224.392 2.493 20 0 BEADLP FC(F)C1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000281627805 385689717 /nfs/dbraw/zinc/68/97/17/385689717.db2.gz CWDZVOCKBXEQLC-UHFFFAOYSA-N 2 2 243.301 2.297 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(C)CC1 ZINC000309586656 385711541 /nfs/dbraw/zinc/71/15/41/385711541.db2.gz RYQMOYGQDHXDLJ-UWVGGRQHSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1(C)CC1 ZINC000309586656 385711544 /nfs/dbraw/zinc/71/15/44/385711544.db2.gz RYQMOYGQDHXDLJ-UWVGGRQHSA-N 2 2 219.332 2.045 20 0 BEADLP CSC[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182866129 385713113 /nfs/dbraw/zinc/71/31/13/385713113.db2.gz XXSYYCWDWWPGQZ-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP CSC[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182866129 385713117 /nfs/dbraw/zinc/71/31/17/385713117.db2.gz XXSYYCWDWWPGQZ-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CCC1 ZINC000309585242 385716625 /nfs/dbraw/zinc/71/66/25/385716625.db2.gz RNZVHYWEDHWDNH-AAEUAGOBSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414862002 385750046 /nfs/dbraw/zinc/75/00/46/385750046.db2.gz GRIRHLUDRBXHFI-DGCLKSJQSA-N 2 2 236.334 2.098 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414862003 385750450 /nfs/dbraw/zinc/75/04/50/385750450.db2.gz GRIRHLUDRBXHFI-WCQYABFASA-N 2 2 236.334 2.098 20 0 BEADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]cc1Cl ZINC000270882560 385756792 /nfs/dbraw/zinc/75/67/92/385756792.db2.gz AUZCVARWBJDODM-UHFFFAOYSA-N 2 2 236.706 2.105 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336656507 385783322 /nfs/dbraw/zinc/78/33/22/385783322.db2.gz HYZMSHNSYOUSNI-TZMCWYRMSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336656507 385783324 /nfs/dbraw/zinc/78/33/24/385783324.db2.gz HYZMSHNSYOUSNI-TZMCWYRMSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000414945428 385800495 /nfs/dbraw/zinc/80/04/95/385800495.db2.gz IHBOQVZPJSJIBO-UKRRQHHQSA-N 3 2 247.386 2.053 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000488467401 385806058 /nfs/dbraw/zinc/80/60/58/385806058.db2.gz WJHIMAWDDXFFSB-VXGBXAGGSA-N 2 2 229.327 2.122 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H](C)CO ZINC000644834779 385812098 /nfs/dbraw/zinc/81/20/98/385812098.db2.gz YDICNFOBEHJXBS-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H](C)CO ZINC000644834779 385812100 /nfs/dbraw/zinc/81/21/00/385812100.db2.gz YDICNFOBEHJXBS-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)C1CCSCC1 ZINC000186917736 385813842 /nfs/dbraw/zinc/81/38/42/385813842.db2.gz KCZJWGSPPVZELF-GFCCVEGCSA-N 2 2 244.448 2.450 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000340171832 385820758 /nfs/dbraw/zinc/82/07/58/385820758.db2.gz ALEHKNSEHNKTEP-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@]1(C)CCCO1 ZINC000340174183 385821224 /nfs/dbraw/zinc/82/12/24/385821224.db2.gz NABLBDGHVZDERN-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@]1(C)CCCO1 ZINC000340174184 385821450 /nfs/dbraw/zinc/82/14/50/385821450.db2.gz NABLBDGHVZDERN-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000271377288 385822320 /nfs/dbraw/zinc/82/23/20/385822320.db2.gz HVIOHNWNLKUTKR-OLZOCXBDSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000271377288 385822323 /nfs/dbraw/zinc/82/23/23/385822323.db2.gz HVIOHNWNLKUTKR-OLZOCXBDSA-N 2 2 233.359 2.135 20 0 BEADLP CC[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977877 385824528 /nfs/dbraw/zinc/82/45/28/385824528.db2.gz NYSYYBYPLUGDGP-RYUDHWBXSA-N 2 2 237.347 2.014 20 0 BEADLP CC[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OC ZINC000412977877 385824530 /nfs/dbraw/zinc/82/45/30/385824530.db2.gz NYSYYBYPLUGDGP-RYUDHWBXSA-N 2 2 237.347 2.014 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000340183308 385827126 /nfs/dbraw/zinc/82/71/26/385827126.db2.gz AOGMHTUKZPEASE-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000340183308 385827129 /nfs/dbraw/zinc/82/71/29/385827129.db2.gz AOGMHTUKZPEASE-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414956433 385846233 /nfs/dbraw/zinc/84/62/33/385846233.db2.gz NHIGPLMEBLDECE-SECBINFHSA-N 2 2 228.286 2.052 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309678845 385791424 /nfs/dbraw/zinc/79/14/24/385791424.db2.gz YXLNXNOXBDVVFF-NEPJUHHUSA-N 2 2 244.448 2.448 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309678845 385791428 /nfs/dbraw/zinc/79/14/28/385791428.db2.gz YXLNXNOXBDVVFF-NEPJUHHUSA-N 2 2 244.448 2.448 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000093074915 385886502 /nfs/dbraw/zinc/88/65/02/385886502.db2.gz XKSVAPLHELZSEG-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000093074915 385886507 /nfs/dbraw/zinc/88/65/07/385886507.db2.gz XKSVAPLHELZSEG-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000319632810 385892182 /nfs/dbraw/zinc/89/21/82/385892182.db2.gz ZOWRILNDYPAEQC-YPMHNXCESA-N 2 2 206.333 2.321 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2F)CCC1 ZINC000414876524 385909712 /nfs/dbraw/zinc/90/97/12/385909712.db2.gz LKTYLTCZIOFKFJ-UHFFFAOYSA-N 2 2 242.725 2.450 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)o1 ZINC000272544113 385910616 /nfs/dbraw/zinc/91/06/16/385910616.db2.gz CGCXPEIMNBVDPR-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)o1 ZINC000272544113 385910621 /nfs/dbraw/zinc/91/06/21/385910621.db2.gz CGCXPEIMNBVDPR-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272544113 385910625 /nfs/dbraw/zinc/91/06/25/385910625.db2.gz CGCXPEIMNBVDPR-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272544113 385910630 /nfs/dbraw/zinc/91/06/30/385910630.db2.gz CGCXPEIMNBVDPR-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272598927 385917270 /nfs/dbraw/zinc/91/72/70/385917270.db2.gz ISFBWOSXZQXSQD-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272598927 385917274 /nfs/dbraw/zinc/91/72/74/385917274.db2.gz ISFBWOSXZQXSQD-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)o1 ZINC000272598927 385917279 /nfs/dbraw/zinc/91/72/79/385917279.db2.gz ISFBWOSXZQXSQD-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)o1 ZINC000272598927 385917283 /nfs/dbraw/zinc/91/72/83/385917283.db2.gz ISFBWOSXZQXSQD-SWLSCSKDSA-N 2 2 248.370 2.368 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335033425 385920729 /nfs/dbraw/zinc/92/07/29/385920729.db2.gz PQRBYQSSOWNRHL-QMTHXVAHSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335033490 385921910 /nfs/dbraw/zinc/92/19/10/385921910.db2.gz PZVQQJRPCYKCTF-DOMZBBRYSA-N 2 2 230.355 2.324 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC000414958556 385860034 /nfs/dbraw/zinc/86/00/34/385860034.db2.gz PANNEDGZOJNTII-GFCCVEGCSA-N 2 2 206.333 2.083 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CC(C)(C)C ZINC000271997102 385865905 /nfs/dbraw/zinc/86/59/05/385865905.db2.gz QWNBYTRLJOSCMK-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)C ZINC000271997102 385865908 /nfs/dbraw/zinc/86/59/08/385865908.db2.gz QWNBYTRLJOSCMK-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000285456525 385927878 /nfs/dbraw/zinc/92/78/78/385927878.db2.gz ABCWFLRGACGUSQ-CYBMUJFWSA-N 2 2 244.342 2.327 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000272070024 385873024 /nfs/dbraw/zinc/87/30/24/385873024.db2.gz FCPWKUMVSBXAPQ-UHFFFAOYSA-N 2 2 235.356 2.467 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337999538 385874041 /nfs/dbraw/zinc/87/40/41/385874041.db2.gz PJJHWQHHGWMCQD-KWCYVHTRSA-N 2 2 233.359 2.440 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000228559722 385881059 /nfs/dbraw/zinc/88/10/59/385881059.db2.gz LMBKVBSIJPSHBW-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000414126676 385975518 /nfs/dbraw/zinc/97/55/18/385975518.db2.gz OQSHNFXWDIABAW-LBPRGKRZSA-N 2 2 244.342 2.017 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3c[nH]c[nH+]3)c2C[C@H]1C ZINC000295142884 385977432 /nfs/dbraw/zinc/97/74/32/385977432.db2.gz LEZUIYQXUJIAGS-NXEZZACHSA-N 2 2 230.315 2.025 20 0 BEADLP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(C)n1 ZINC000335019091 385978784 /nfs/dbraw/zinc/97/87/84/385978784.db2.gz ZJXTVPLPWGZJPI-UHFFFAOYSA-N 2 2 245.370 2.026 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H]1C ZINC000414132269 385978939 /nfs/dbraw/zinc/97/89/39/385978939.db2.gz MJHKRRYWRVDATN-RNJOBUHISA-N 2 2 233.359 2.222 20 0 BEADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccncc1 ZINC000414131042 385979944 /nfs/dbraw/zinc/97/99/44/385979944.db2.gz YOPGDVQHWBNTCQ-CQSZACIVSA-N 2 2 244.342 2.099 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221158884 385981898 /nfs/dbraw/zinc/98/18/98/385981898.db2.gz BLEVHMBIOSDJRA-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221158884 385981902 /nfs/dbraw/zinc/98/19/02/385981902.db2.gz BLEVHMBIOSDJRA-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)Cc1ccccc1 ZINC000273260733 385983300 /nfs/dbraw/zinc/98/33/00/385983300.db2.gz XYKBFGNFPXTVKX-KGLIPLIRSA-N 2 2 234.387 2.405 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000335023378 385985385 /nfs/dbraw/zinc/98/53/85/385985385.db2.gz GZQZPVDSIGOBHU-NHYWBVRUSA-N 2 2 230.355 2.188 20 0 BEADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000335039049 385930636 /nfs/dbraw/zinc/93/06/36/385930636.db2.gz LLXYEQNNFKRSOX-QWHCGFSZSA-N 2 2 218.344 2.316 20 0 BEADLP CC(C)c1cnc(C[NH2+]CC2([NH3+])CCC2)s1 ZINC000414878576 385933734 /nfs/dbraw/zinc/93/37/34/385933734.db2.gz OHOWGSFPNJTJFJ-UHFFFAOYSA-N 2 2 239.388 2.238 20 0 BEADLP CC(C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285555077 385941388 /nfs/dbraw/zinc/94/13/88/385941388.db2.gz GVEFZWSUFDRPCP-UHFFFAOYSA-N 2 2 224.348 2.442 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285555077 385941397 /nfs/dbraw/zinc/94/13/97/385941397.db2.gz GVEFZWSUFDRPCP-UHFFFAOYSA-N 2 2 224.348 2.442 20 0 BEADLP CC(C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285555077 385941401 /nfs/dbraw/zinc/94/14/01/385941401.db2.gz GVEFZWSUFDRPCP-UHFFFAOYSA-N 2 2 224.348 2.442 20 0 BEADLP CC(C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285555077 385941408 /nfs/dbraw/zinc/94/14/08/385941408.db2.gz GVEFZWSUFDRPCP-UHFFFAOYSA-N 2 2 224.348 2.442 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1c(F)cccc1F ZINC000342148858 385945242 /nfs/dbraw/zinc/94/52/42/385945242.db2.gz VSLBJLPYLOOUTN-SECBINFHSA-N 2 2 240.297 2.497 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC[C@](C)(F)C1 ZINC000338282550 385949700 /nfs/dbraw/zinc/94/97/00/385949700.db2.gz GQGBWBVUOMMXKW-LBPRGKRZSA-N 2 2 216.344 2.152 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC[C@](C)(F)C1 ZINC000338282550 385949707 /nfs/dbraw/zinc/94/97/07/385949707.db2.gz GQGBWBVUOMMXKW-LBPRGKRZSA-N 2 2 216.344 2.152 20 0 BEADLP C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000335057121 385955856 /nfs/dbraw/zinc/95/58/56/385955856.db2.gz XJGLYPNOZWBVST-MFKMUULPSA-N 2 2 231.343 2.207 20 0 BEADLP C[C@H]1CC[NH2+]CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058097 385958204 /nfs/dbraw/zinc/95/82/04/385958204.db2.gz XXUAXEOJXNONOI-FZMZJTMJSA-N 2 2 245.370 2.455 20 0 BEADLP CCCC1CCC([NH2+]CC[NH2+]CCOC)CC1 ZINC000414879781 385958419 /nfs/dbraw/zinc/95/84/19/385958419.db2.gz IHADHDXFNGHUIY-UHFFFAOYSA-N 2 2 242.407 2.171 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000414881243 385993891 /nfs/dbraw/zinc/99/38/91/385993891.db2.gz ADDLRWIYKCRAQT-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@@H]1CC[NH2+]CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058096 385958636 /nfs/dbraw/zinc/95/86/36/385958636.db2.gz XXUAXEOJXNONOI-BXUZGUMPSA-N 2 2 245.370 2.455 20 0 BEADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000647863757 385961982 /nfs/dbraw/zinc/96/19/82/385961982.db2.gz JSBMRADHXPRBAP-TZMCWYRMSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCC2CCCC2)CCO1 ZINC000647863757 385961986 /nfs/dbraw/zinc/96/19/86/385961986.db2.gz JSBMRADHXPRBAP-TZMCWYRMSA-N 2 2 240.391 2.005 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000285760362 385963408 /nfs/dbraw/zinc/96/34/08/385963408.db2.gz SDKXGLNOUMOABB-OLZOCXBDSA-N 2 2 244.342 2.326 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000285760358 385963766 /nfs/dbraw/zinc/96/37/66/385963766.db2.gz SDKXGLNOUMOABB-CHWSQXEVSA-N 2 2 244.342 2.326 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1 ZINC000285842211 385969213 /nfs/dbraw/zinc/96/92/13/385969213.db2.gz XLRSUHOKZSKXHJ-GFCCVEGCSA-N 2 2 233.359 2.135 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)o1 ZINC000414123537 385971940 /nfs/dbraw/zinc/97/19/40/385971940.db2.gz JKLLKSAFWFALPY-LLVKDONJSA-N 2 2 247.342 2.469 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC(C)(C)C2)CCC[N@@H+]1C ZINC000336749713 385998809 /nfs/dbraw/zinc/99/88/09/385998809.db2.gz FIFHLCFAJJJRGG-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC(C)(C)C2)CCC[N@H+]1C ZINC000336749713 385998811 /nfs/dbraw/zinc/99/88/11/385998811.db2.gz FIFHLCFAJJJRGG-ZYHUDNBSSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccccc1OC ZINC000233892578 386011462 /nfs/dbraw/zinc/01/14/62/386011462.db2.gz KONAMPUBVYMIMD-ZYHUDNBSSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@@]1(F)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000295342535 386018098 /nfs/dbraw/zinc/01/80/98/386018098.db2.gz ICALVLQBFSBYBN-GFCCVEGCSA-N 2 2 225.311 2.097 20 0 BEADLP C[C@@]1(F)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000295342535 386018101 /nfs/dbraw/zinc/01/81/01/386018101.db2.gz ICALVLQBFSBYBN-GFCCVEGCSA-N 2 2 225.311 2.097 20 0 BEADLP CC[N@H+](CC[NH2+]C1CC(OC(C)C)C1)C1CC1 ZINC000189528847 386023233 /nfs/dbraw/zinc/02/32/33/386023233.db2.gz ZMRAEVRIKKOLOL-UHFFFAOYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@@H+](CC[NH2+]C1CC(OC(C)C)C1)C1CC1 ZINC000189528847 386023242 /nfs/dbraw/zinc/02/32/42/386023242.db2.gz ZMRAEVRIKKOLOL-UHFFFAOYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000336770800 386029535 /nfs/dbraw/zinc/02/95/35/386029535.db2.gz VXRAQMRPWSZBIN-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000336770800 386029543 /nfs/dbraw/zinc/02/95/43/386029543.db2.gz VXRAQMRPWSZBIN-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000414977360 386031546 /nfs/dbraw/zinc/03/15/46/386031546.db2.gz JSLXYFULXHSYTC-JTQLQIEISA-N 2 2 244.285 2.115 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@]1(C)CCCO1 ZINC000340502397 386032235 /nfs/dbraw/zinc/03/22/35/386032235.db2.gz JRWAXZCWRNZWDZ-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1 ZINC000335074053 386037179 /nfs/dbraw/zinc/03/71/79/386037179.db2.gz LXIOVSJVJCBNMA-ZANVPECISA-N 2 2 240.297 2.367 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc(F)c(F)cc2F)CCC1 ZINC000414884385 386040756 /nfs/dbraw/zinc/04/07/56/386040756.db2.gz NXQZEHMQUVESKN-UHFFFAOYSA-N 2 2 244.260 2.075 20 0 BEADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335076664 386048021 /nfs/dbraw/zinc/04/80/21/386048021.db2.gz VROWLVMXJDOIEK-JSGCOSHPSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@H+](C)C1CC1 ZINC000340232736 386050118 /nfs/dbraw/zinc/05/01/18/386050118.db2.gz RSGQGIJEEQUIFU-DYEKYZERSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)[N@@H+](C)C1CC1 ZINC000340232736 386050122 /nfs/dbraw/zinc/05/01/22/386050122.db2.gz RSGQGIJEEQUIFU-DYEKYZERSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1OC ZINC000414980591 386055317 /nfs/dbraw/zinc/05/53/17/386055317.db2.gz PVLBHPJAZKXNIX-VIFPVBQESA-N 2 2 242.750 2.176 20 0 BEADLP Cc1occc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000414296147 386104088 /nfs/dbraw/zinc/10/40/88/386104088.db2.gz FYFMPHXJFMVFOA-NSHDSACASA-N 2 2 233.315 2.210 20 0 BEADLP Fc1ccccc1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647873408 386121361 /nfs/dbraw/zinc/12/13/61/386121361.db2.gz HADPZCGHVRPRQQ-GFCCVEGCSA-N 2 2 248.345 2.400 20 0 BEADLP Fc1ccccc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647873408 386121364 /nfs/dbraw/zinc/12/13/64/386121364.db2.gz HADPZCGHVRPRQQ-GFCCVEGCSA-N 2 2 248.345 2.400 20 0 BEADLP COc1cccc(C)c1C[NH2+]CCC[NH+](C)C ZINC000638290137 386122188 /nfs/dbraw/zinc/12/21/88/386122188.db2.gz ZXQULTAMWUJRDY-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414655760 386081821 /nfs/dbraw/zinc/08/18/21/386081821.db2.gz LXXZZYWRVORVAT-KKUMJFAQSA-N 2 2 230.355 2.084 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414655760 386081826 /nfs/dbraw/zinc/08/18/26/386081826.db2.gz LXXZZYWRVORVAT-KKUMJFAQSA-N 2 2 230.355 2.084 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@H+](C)C1CC1 ZINC000336728775 386082141 /nfs/dbraw/zinc/08/21/41/386082141.db2.gz CRGKMCVQRDCNEL-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[N@@H+](C)C1CC1 ZINC000336728775 386082149 /nfs/dbraw/zinc/08/21/49/386082149.db2.gz CRGKMCVQRDCNEL-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP FC(F)(F)CCCC[N@@H+]1CCC[NH2+]CC1 ZINC000124527843 386088323 /nfs/dbraw/zinc/08/83/23/386088323.db2.gz NOZQMCVTEYIRML-UHFFFAOYSA-N 2 2 224.270 2.014 20 0 BEADLP FC(F)(F)CCCC[N@H+]1CCC[NH2+]CC1 ZINC000124527843 386088326 /nfs/dbraw/zinc/08/83/26/386088326.db2.gz NOZQMCVTEYIRML-UHFFFAOYSA-N 2 2 224.270 2.014 20 0 BEADLP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000334457791 386097262 /nfs/dbraw/zinc/09/72/62/386097262.db2.gz PVKJLRFOZMJKJC-OLZOCXBDSA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334457791 386097266 /nfs/dbraw/zinc/09/72/66/386097266.db2.gz PVKJLRFOZMJKJC-OLZOCXBDSA-N 2 2 208.349 2.169 20 0 BEADLP CCc1cccc(F)c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414888182 386097420 /nfs/dbraw/zinc/09/74/20/386097420.db2.gz JWDCEIWYUKQPSJ-AWEZNQCLSA-N 2 2 236.334 2.215 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336753697 386173134 /nfs/dbraw/zinc/17/31/34/386173134.db2.gz WMOBHOPQXNGGKP-NQBHXWOUSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336753697 386173137 /nfs/dbraw/zinc/17/31/37/386173137.db2.gz WMOBHOPQXNGGKP-NQBHXWOUSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccncc1F ZINC000338950203 386184867 /nfs/dbraw/zinc/18/48/67/386184867.db2.gz XJKVXNGEDQTMHR-MNOVXSKESA-N 2 2 239.338 2.212 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC000130887156 386187749 /nfs/dbraw/zinc/18/77/49/386187749.db2.gz FJDHCZBCDXDVPN-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC000130887156 386187756 /nfs/dbraw/zinc/18/77/56/386187756.db2.gz FJDHCZBCDXDVPN-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1noc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000076694335 386133679 /nfs/dbraw/zinc/13/36/79/386133679.db2.gz HNSATVMQZKMAAE-YHWZYXNKSA-N 2 2 249.358 2.006 20 0 BEADLP Cc1noc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000076694335 386133680 /nfs/dbraw/zinc/13/36/80/386133680.db2.gz HNSATVMQZKMAAE-YHWZYXNKSA-N 2 2 249.358 2.006 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccncc1 ZINC000414344630 386135132 /nfs/dbraw/zinc/13/51/32/386135132.db2.gz OCGZEIFPTVNOGW-UONOGXRCSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000414344630 386135135 /nfs/dbraw/zinc/13/51/35/386135135.db2.gz OCGZEIFPTVNOGW-UONOGXRCSA-N 2 2 233.359 2.217 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1C1CC1 ZINC000414346947 386136154 /nfs/dbraw/zinc/13/61/54/386136154.db2.gz VESCDXBUYCGGOB-HBJVGIJOSA-N 2 2 246.354 2.350 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1C1CC1 ZINC000414346947 386136155 /nfs/dbraw/zinc/13/61/55/386136155.db2.gz VESCDXBUYCGGOB-HBJVGIJOSA-N 2 2 246.354 2.350 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000275318674 386200700 /nfs/dbraw/zinc/20/07/00/386200700.db2.gz SMTFRRUKZGMIBB-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)o1 ZINC000275318674 386200706 /nfs/dbraw/zinc/20/07/06/386200706.db2.gz SMTFRRUKZGMIBB-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000275318674 386200710 /nfs/dbraw/zinc/20/07/10/386200710.db2.gz SMTFRRUKZGMIBB-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)o1 ZINC000275318674 386200716 /nfs/dbraw/zinc/20/07/16/386200716.db2.gz SMTFRRUKZGMIBB-RISCZKNCSA-N 2 2 236.359 2.360 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000414697039 386202359 /nfs/dbraw/zinc/20/23/59/386202359.db2.gz PPXPWEKKEAQURU-UONOGXRCSA-N 2 2 242.407 2.107 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCOC[C@H]1CC(C)C ZINC000414697039 386202362 /nfs/dbraw/zinc/20/23/62/386202362.db2.gz PPXPWEKKEAQURU-UONOGXRCSA-N 2 2 242.407 2.107 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131380380 386203573 /nfs/dbraw/zinc/20/35/73/386203573.db2.gz STWIEHSUYCXJTE-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131380380 386203579 /nfs/dbraw/zinc/20/35/79/386203579.db2.gz STWIEHSUYCXJTE-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c(Cl)c1 ZINC000415000228 386220969 /nfs/dbraw/zinc/22/09/69/386220969.db2.gz ALACULJVUTUCGO-BDAKNGLRSA-N 2 2 242.750 2.174 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccccn1 ZINC000414712031 386227732 /nfs/dbraw/zinc/22/77/32/386227732.db2.gz SDQWZLXPQLWHCY-CHWSQXEVSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000414712031 386227734 /nfs/dbraw/zinc/22/77/34/386227734.db2.gz SDQWZLXPQLWHCY-CHWSQXEVSA-N 2 2 235.375 2.448 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cccnc2)[C@@H](C)C1 ZINC000347147174 386260343 /nfs/dbraw/zinc/26/03/43/386260343.db2.gz MHQGRSVFXNEBGJ-SCRDCRAPSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cccnc2)[C@@H](C)C1 ZINC000347147174 386260346 /nfs/dbraw/zinc/26/03/46/386260346.db2.gz MHQGRSVFXNEBGJ-SCRDCRAPSA-N 2 2 233.359 2.072 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](CC[NH3+])C(F)F ZINC000415001381 386232589 /nfs/dbraw/zinc/23/25/89/386232589.db2.gz YAZWDWMZASMKAZ-MXWKQRLJSA-N 2 2 234.334 2.385 20 0 BEADLP CC(C)c1cnc(C[N@@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347101762 386248906 /nfs/dbraw/zinc/24/89/06/386248906.db2.gz LFOLTRSBTKYLAB-SNVBAGLBSA-N 2 2 239.388 2.047 20 0 BEADLP CC(C)c1cnc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000347101762 386248910 /nfs/dbraw/zinc/24/89/10/386248910.db2.gz LFOLTRSBTKYLAB-SNVBAGLBSA-N 2 2 239.388 2.047 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000288997573 386250503 /nfs/dbraw/zinc/25/05/03/386250503.db2.gz DSPRWBKEGQJIRC-ZIAGYGMSSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000288997573 386250507 /nfs/dbraw/zinc/25/05/07/386250507.db2.gz DSPRWBKEGQJIRC-ZIAGYGMSSA-N 2 2 248.370 2.432 20 0 BEADLP CCc1[nH+]ccn1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000319824922 386193949 /nfs/dbraw/zinc/19/39/49/386193949.db2.gz WJNHTWMGMQWTGD-STQMWFEESA-N 2 2 235.375 2.423 20 0 BEADLP CCOC[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414698478 386198995 /nfs/dbraw/zinc/19/89/95/386198995.db2.gz QZFJOVQDTLDPRT-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CCOC[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414698478 386198999 /nfs/dbraw/zinc/19/89/99/386198999.db2.gz QZFJOVQDTLDPRT-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCOC1 ZINC000289345635 386288572 /nfs/dbraw/zinc/28/85/72/386288572.db2.gz WUMZQEBACIAQFN-CQSZACIVSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000647885868 386290126 /nfs/dbraw/zinc/29/01/26/386290126.db2.gz ZOIKZMUGVBIPBB-AAEUAGOBSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000647885868 386290133 /nfs/dbraw/zinc/29/01/33/386290133.db2.gz ZOIKZMUGVBIPBB-AAEUAGOBSA-N 2 2 236.384 2.124 20 0 BEADLP CCn1c[nH+]cc1CNc1cc(C)cc[nH+]1 ZINC000416424405 386300806 /nfs/dbraw/zinc/30/08/06/386300806.db2.gz CSXBAIAHDZVWJW-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1c(F)cccc1Cl)C1CC1 ZINC000414901856 386305504 /nfs/dbraw/zinc/30/55/04/386305504.db2.gz XPYQZKKPUKVALA-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000414735837 386311980 /nfs/dbraw/zinc/31/19/80/386311980.db2.gz HFTUKLSDKCYSCC-RWMBFGLXSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000414735837 386311981 /nfs/dbraw/zinc/31/19/81/386311981.db2.gz HFTUKLSDKCYSCC-RWMBFGLXSA-N 2 2 212.381 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1C ZINC000289174821 386268905 /nfs/dbraw/zinc/26/89/05/386268905.db2.gz SFQTYIIHMREPSL-ZDUSSCGKSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1C ZINC000289174821 386268910 /nfs/dbraw/zinc/26/89/10/386268910.db2.gz SFQTYIIHMREPSL-ZDUSSCGKSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000289727780 386347172 /nfs/dbraw/zinc/34/71/72/386347172.db2.gz OTIHPVGSXLPHQF-HIFRSBDPSA-N 2 2 248.370 2.073 20 0 BEADLP Fc1cccc([C@@H]2CC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647890039 386365605 /nfs/dbraw/zinc/36/56/05/386365605.db2.gz IQBKAUMETFJGEQ-RISCZKNCSA-N 2 2 234.318 2.182 20 0 BEADLP Fc1cccc([C@@H]2CC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647890039 386365612 /nfs/dbraw/zinc/36/56/12/386365612.db2.gz IQBKAUMETFJGEQ-RISCZKNCSA-N 2 2 234.318 2.182 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCc1ccccc1)C2 ZINC000647933529 386365856 /nfs/dbraw/zinc/36/58/56/386365856.db2.gz RVYAJMGXQAUSQN-UHFFFAOYSA-N 2 2 227.311 2.011 20 0 BEADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)OC ZINC000353115757 386366810 /nfs/dbraw/zinc/36/68/10/386366810.db2.gz MFHLTNYGOWYHPE-ZDUSSCGKSA-N 2 2 247.342 2.157 20 0 BEADLP CC[N@H+](CCCO)CCCc1c[nH+]ccc1C ZINC000290041845 386387070 /nfs/dbraw/zinc/38/70/70/386387070.db2.gz OBGZKBVFTPNCTE-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CC[N@@H+](CCCO)CCCc1c[nH+]ccc1C ZINC000290041845 386387076 /nfs/dbraw/zinc/38/70/76/386387076.db2.gz OBGZKBVFTPNCTE-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CC(C)COCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000336697535 386381215 /nfs/dbraw/zinc/38/12/15/386381215.db2.gz UGKSCGLPOWUJCI-UHFFFAOYSA-N 2 2 242.407 2.121 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1Cl)C1CC1 ZINC000414902897 386326571 /nfs/dbraw/zinc/32/65/71/386326571.db2.gz YTJOFGSIHRZIGA-LBPRGKRZSA-N 2 2 224.735 2.167 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000289662592 386338881 /nfs/dbraw/zinc/33/88/81/386338881.db2.gz LZLYXITWAHTQIX-ZIAGYGMSSA-N 2 2 248.370 2.072 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]CC[C@H](C)F)n2c1 ZINC000339491838 386445217 /nfs/dbraw/zinc/44/52/17/386445217.db2.gz OIGXXOPFZLCWTL-NSHDSACASA-N 2 2 235.306 2.480 20 0 BEADLP COC[C@@H]1CCCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414754690 386391791 /nfs/dbraw/zinc/39/17/91/386391791.db2.gz GLNDFPSKAIBJAV-KGLIPLIRSA-N 2 2 242.407 2.108 20 0 BEADLP COC[C@@H]1CCCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414754690 386391792 /nfs/dbraw/zinc/39/17/92/386391792.db2.gz GLNDFPSKAIBJAV-KGLIPLIRSA-N 2 2 242.407 2.108 20 0 BEADLP CSCC[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000290124130 386395242 /nfs/dbraw/zinc/39/52/42/386395242.db2.gz UJYYNEQCJBSKPX-NSHDSACASA-N 2 2 241.404 2.036 20 0 BEADLP CSCC[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290124130 386395247 /nfs/dbraw/zinc/39/52/47/386395247.db2.gz UJYYNEQCJBSKPX-NSHDSACASA-N 2 2 241.404 2.036 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000414908194 386398094 /nfs/dbraw/zinc/39/80/94/386398094.db2.gz BCJAEAIBHWKCPY-IEOKHJKGSA-N 2 2 230.355 2.287 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000290133978 386399113 /nfs/dbraw/zinc/39/91/13/386399113.db2.gz VGKLUUABLBIAON-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@](C)(O)C1 ZINC000290133978 386399119 /nfs/dbraw/zinc/39/91/19/386399119.db2.gz VGKLUUABLBIAON-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1=CCCOC1 ZINC000290218061 386406143 /nfs/dbraw/zinc/40/61/43/386406143.db2.gz RHAYIZYMGBZWSX-UHFFFAOYSA-N 2 2 246.354 2.259 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336776941 386410974 /nfs/dbraw/zinc/41/09/74/386410974.db2.gz GYJWWWHCZGZQNI-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1ccc(CCCN2CC[NH2+][C@@H](C)[C@@H]2C)c[nH+]1 ZINC000339408266 386413305 /nfs/dbraw/zinc/41/33/05/386413305.db2.gz XDGMPOJATVQINX-KBPBESRZSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCCN2CC[NH2+][C@@H](C)[C@H]2C)c[nH+]1 ZINC000339408268 386415723 /nfs/dbraw/zinc/41/57/23/386415723.db2.gz XDGMPOJATVQINX-UONOGXRCSA-N 2 2 247.386 2.005 20 0 BEADLP COC[C@H]([NH2+]CCCc1c[nH+]ccc1C)C1CC1 ZINC000290322034 386419653 /nfs/dbraw/zinc/41/96/53/386419653.db2.gz JQGWFZZCNGJOLQ-HNNXBMFYSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)[C@@H](C)O ZINC000290348082 386421941 /nfs/dbraw/zinc/42/19/41/386421941.db2.gz LTZVIWZGMUBBOQ-GFCCVEGCSA-N 2 2 236.359 2.072 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336710589 386425345 /nfs/dbraw/zinc/42/53/45/386425345.db2.gz ZSTMPOUIXIIPOZ-ZDUSSCGKSA-N 2 2 221.348 2.456 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000336710589 386425351 /nfs/dbraw/zinc/42/53/51/386425351.db2.gz ZSTMPOUIXIIPOZ-ZDUSSCGKSA-N 2 2 221.348 2.456 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000391182046 386466319 /nfs/dbraw/zinc/46/63/19/386466319.db2.gz KPVGHJOBXZBYAF-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccn1 ZINC000391182046 386466326 /nfs/dbraw/zinc/46/63/26/386466326.db2.gz KPVGHJOBXZBYAF-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP CC(C)(C)CC[NH2+]CCCn1cc[nH+]c1 ZINC000059015884 386468566 /nfs/dbraw/zinc/46/85/66/386468566.db2.gz WPLNFKFHNMNZPT-UHFFFAOYSA-N 2 2 209.337 2.299 20 0 BEADLP COC1(C[C@@H](C)[NH2+]CC2([NH+](C)C)CC2)CCC1 ZINC000417353930 386489499 /nfs/dbraw/zinc/48/94/99/386489499.db2.gz KNNRSGSZYPULGY-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000417352497 386490223 /nfs/dbraw/zinc/49/02/23/386490223.db2.gz GMRVAGDSFSBKPJ-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000415011848 386493484 /nfs/dbraw/zinc/49/34/84/386493484.db2.gz IOLHHZRKJRHOFH-RNFRBKRXSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC1CCCC1 ZINC000336768960 386497762 /nfs/dbraw/zinc/49/77/62/386497762.db2.gz VDMOAPCNANJXCE-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)C[NH3+])CCCO2 ZINC000335467799 386498904 /nfs/dbraw/zinc/49/89/04/386498904.db2.gz DVNHBJJWPKVYIL-TZMCWYRMSA-N 2 2 248.370 2.454 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000415014280 386500155 /nfs/dbraw/zinc/50/01/55/386500155.db2.gz WJDRDZDQUGCXNU-ZJUUUORDSA-N 2 2 218.300 2.258 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000415043509 386529656 /nfs/dbraw/zinc/52/96/56/386529656.db2.gz RMRJIPMUXAJTLI-DEBLGDTFSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000415015459 386500664 /nfs/dbraw/zinc/50/06/64/386500664.db2.gz NCUUHWBMQDRDGU-MNOVXSKESA-N 2 2 248.370 2.225 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccccc2F)CC1 ZINC000519608191 386504375 /nfs/dbraw/zinc/50/43/75/386504375.db2.gz YJJDKQREICEUTN-LLVKDONJSA-N 2 2 236.334 2.352 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000415050047 386505265 /nfs/dbraw/zinc/50/52/65/386505265.db2.gz IDIZXRLETJRAKH-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP COc1ccc2oc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc2c1 ZINC000415019609 386508289 /nfs/dbraw/zinc/50/82/89/386508289.db2.gz SBQBKXAIVYMLFS-VHSXEESVSA-N 2 2 248.326 2.267 20 0 BEADLP COc1ccc2oc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc2c1 ZINC000415019608 386508938 /nfs/dbraw/zinc/50/89/38/386508938.db2.gz SBQBKXAIVYMLFS-UWVGGRQHSA-N 2 2 248.326 2.267 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)CCCC[NH3+])c[nH+]1 ZINC000415019779 386509325 /nfs/dbraw/zinc/50/93/25/386509325.db2.gz WGIKVSOKPKHRPE-CYBMUJFWSA-N 3 2 249.402 2.430 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)[C@@H]1C ZINC000336755465 386529846 /nfs/dbraw/zinc/52/98/46/386529846.db2.gz IWRCIFQTIIKHQK-VEGXAWMVSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)[C@@H]1C ZINC000336755465 386529850 /nfs/dbraw/zinc/52/98/50/386529850.db2.gz IWRCIFQTIIKHQK-VEGXAWMVSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C[N@@H+]1C1CC1 ZINC000157156675 386515813 /nfs/dbraw/zinc/51/58/13/386515813.db2.gz CMFHFNJUYUBRAQ-DTWKUNHWSA-N 2 2 236.281 2.154 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H](CC3CC3)C2)c[nH+]1 ZINC000339674267 386515826 /nfs/dbraw/zinc/51/58/26/386515826.db2.gz UJVBSKNSXPAEKB-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H](CC3CC3)C2)c[nH+]1 ZINC000339674267 386515828 /nfs/dbraw/zinc/51/58/28/386515828.db2.gz UJVBSKNSXPAEKB-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C[N@H+]1C1CC1 ZINC000157156675 386515820 /nfs/dbraw/zinc/51/58/20/386515820.db2.gz CMFHFNJUYUBRAQ-DTWKUNHWSA-N 2 2 236.281 2.154 20 0 BEADLP CCC1CC([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000336733331 386517229 /nfs/dbraw/zinc/51/72/29/386517229.db2.gz JYQAEESKZWANMI-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415040100 386526485 /nfs/dbraw/zinc/52/64/85/386526485.db2.gz JVHJRTLQVLDJFN-AWEZNQCLSA-N 2 2 248.370 2.302 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000414787427 386527059 /nfs/dbraw/zinc/52/70/59/386527059.db2.gz CKSDEWSATBLJFN-LBPRGKRZSA-N 2 2 226.751 2.413 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187138981 386456442 /nfs/dbraw/zinc/45/64/42/386456442.db2.gz NFYKOEJVWOTHHM-LBPRGKRZSA-N 2 2 244.448 2.448 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000187138981 386456448 /nfs/dbraw/zinc/45/64/48/386456448.db2.gz NFYKOEJVWOTHHM-LBPRGKRZSA-N 2 2 244.448 2.448 20 0 BEADLP FC1(F)CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000277681684 386459603 /nfs/dbraw/zinc/45/96/03/386459603.db2.gz PPCHHDPEFLSLRS-UHFFFAOYSA-N 2 2 237.253 2.222 20 0 BEADLP c1ccc(NCC2CC[NH+](C3CC3)CC2)[nH+]c1 ZINC000277714031 386460262 /nfs/dbraw/zinc/46/02/62/386460262.db2.gz IYIXCEMTJGEBSF-UHFFFAOYSA-N 2 2 231.343 2.368 20 0 BEADLP C[NH+](C)CCSCc1cn2ccccc2[nH+]1 ZINC000339742738 386576373 /nfs/dbraw/zinc/57/63/73/386576373.db2.gz MNSAKYHGCCJOAK-UHFFFAOYSA-N 2 2 235.356 2.129 20 0 BEADLP CC(C)c1cnc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000414797523 386580763 /nfs/dbraw/zinc/58/07/63/386580763.db2.gz YYFRZOBYOLOAGP-UHFFFAOYSA-N 2 2 239.388 2.108 20 0 BEADLP COc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1C ZINC000415080501 386585853 /nfs/dbraw/zinc/58/58/53/386585853.db2.gz YQYKUXPJZVHMSY-AWEZNQCLSA-N 2 2 248.370 2.235 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)[C@H]1C ZINC000336644569 386595215 /nfs/dbraw/zinc/59/52/15/386595215.db2.gz ADKSUKFDNBEYJM-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000336755401 386537669 /nfs/dbraw/zinc/53/76/69/386537669.db2.gz IVHBPEXEMKCZFT-JTQLQIEISA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000336755401 386537674 /nfs/dbraw/zinc/53/76/74/386537674.db2.gz IVHBPEXEMKCZFT-JTQLQIEISA-N 2 2 210.365 2.247 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000163533058 386540483 /nfs/dbraw/zinc/54/04/83/386540483.db2.gz DQTLPCUZTJSSJV-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCOCC1 ZINC000163533058 386540489 /nfs/dbraw/zinc/54/04/89/386540489.db2.gz DQTLPCUZTJSSJV-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COc1ccccc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415060030 386542430 /nfs/dbraw/zinc/54/24/30/386542430.db2.gz VWNLMLFCIMOLBI-ZDUSSCGKSA-N 2 2 236.359 2.158 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000415059709 386542755 /nfs/dbraw/zinc/54/27/55/386542755.db2.gz VMSUJGXLYVZUGF-LLVKDONJSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000228658560 386596991 /nfs/dbraw/zinc/59/69/91/386596991.db2.gz HSZYXKFVDOTASV-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cnccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000228658560 386596996 /nfs/dbraw/zinc/59/69/96/386596996.db2.gz HSZYXKFVDOTASV-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415063780 386543945 /nfs/dbraw/zinc/54/39/45/386543945.db2.gz AXODONFJBXRNET-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@@H]1C[C@@H]1C ZINC000415063194 386544976 /nfs/dbraw/zinc/54/49/76/386544976.db2.gz HBMWZWFSGLPMCL-CORIIIEPSA-N 2 2 232.371 2.494 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415065364 386547720 /nfs/dbraw/zinc/54/77/20/386547720.db2.gz FWDOBGFBVRGXQG-CQSZACIVSA-N 2 2 236.334 2.366 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCO[C@@H]1C ZINC000415065580 386547881 /nfs/dbraw/zinc/54/78/81/386547881.db2.gz NCPBSZLOFVPFSD-DFBGVHRSSA-N 2 2 248.370 2.016 20 0 BEADLP CCOc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415066464 386549178 /nfs/dbraw/zinc/54/91/78/386549178.db2.gz ISBKHCOLFYZPST-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000063191825 386552945 /nfs/dbraw/zinc/55/29/45/386552945.db2.gz LKXQZYCEWUPFSB-SMDDNHRTSA-N 2 2 234.343 2.094 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(O)c1 ZINC000063191825 386552948 /nfs/dbraw/zinc/55/29/48/386552948.db2.gz LKXQZYCEWUPFSB-SMDDNHRTSA-N 2 2 234.343 2.094 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000335423680 386598989 /nfs/dbraw/zinc/59/89/89/386598989.db2.gz CGCNHBLQOCJKGQ-HIFRSBDPSA-N 2 2 241.338 2.204 20 0 BEADLP Cc1ccoc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000291718280 386572600 /nfs/dbraw/zinc/57/26/00/386572600.db2.gz MFCLXQXHZXYVHM-UHFFFAOYSA-N 2 2 245.326 2.339 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335498372 386623397 /nfs/dbraw/zinc/62/33/97/386623397.db2.gz LIZZXIDSAITPBK-OLZOCXBDSA-N 2 2 233.359 2.183 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cncc(F)c1 ZINC000335498625 386624181 /nfs/dbraw/zinc/62/41/81/386624181.db2.gz RLXFSNYIGCLMNY-GWCFXTLKSA-N 2 2 237.322 2.013 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000414808938 386624866 /nfs/dbraw/zinc/62/48/66/386624866.db2.gz LNRXTJOCAIGTRF-UHFFFAOYSA-N 3 2 249.402 2.430 20 0 BEADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)CC[NH3+] ZINC000415106756 386628308 /nfs/dbraw/zinc/62/83/08/386628308.db2.gz JXQZMTRVBVIBPG-UHFFFAOYSA-N 2 2 226.751 2.347 20 0 BEADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)CC[NH3+] ZINC000415106756 386628315 /nfs/dbraw/zinc/62/83/15/386628315.db2.gz JXQZMTRVBVIBPG-UHFFFAOYSA-N 2 2 226.751 2.347 20 0 BEADLP Cc1cc[nH+]c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000268277656 386636387 /nfs/dbraw/zinc/63/63/87/386636387.db2.gz AFPAKLFZFIFXMI-CQSZACIVSA-N 2 2 245.370 2.455 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000414812178 386640142 /nfs/dbraw/zinc/64/01/42/386640142.db2.gz XAZFWFSDIXPIDJ-VIFPVBQESA-N 2 2 230.764 2.228 20 0 BEADLP CCC1CC([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000336723778 386645260 /nfs/dbraw/zinc/64/52/60/386645260.db2.gz FQRCIVJGRFXTBP-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CC([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000336723778 386645266 /nfs/dbraw/zinc/64/52/66/386645266.db2.gz FQRCIVJGRFXTBP-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccncc1F ZINC000340390516 386648075 /nfs/dbraw/zinc/64/80/75/386648075.db2.gz PNYOFWMPVKMQIV-WDEREUQCSA-N 2 2 239.338 2.069 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414923557 386608001 /nfs/dbraw/zinc/60/80/01/386608001.db2.gz HPZYTXXGSMWVFV-FZMZJTMJSA-N 2 2 236.334 2.222 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414924169 386615955 /nfs/dbraw/zinc/61/59/55/386615955.db2.gz IIIDZNBTSPRTHK-GXTWGEPZSA-N 2 2 248.370 2.091 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414924171 386617490 /nfs/dbraw/zinc/61/74/90/386617490.db2.gz IIIDZNBTSPRTHK-JSGCOSHPSA-N 2 2 248.370 2.091 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335496269 386618794 /nfs/dbraw/zinc/61/87/94/386618794.db2.gz OZBXLAHKEIYSLY-STQMWFEESA-N 2 2 233.359 2.183 20 0 BEADLP C[N@H+](Cc1cc(F)cc(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000097904740 386669075 /nfs/dbraw/zinc/66/90/75/386669075.db2.gz PLWVQPCDAIQZHY-ZDUSSCGKSA-N 2 2 240.297 2.134 20 0 BEADLP C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000097904740 386669082 /nfs/dbraw/zinc/66/90/82/386669082.db2.gz PLWVQPCDAIQZHY-ZDUSSCGKSA-N 2 2 240.297 2.134 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)COC(C)C ZINC000337211721 386669500 /nfs/dbraw/zinc/66/95/00/386669500.db2.gz AQDPYUKJDPAMTN-CYBMUJFWSA-N 2 2 236.359 2.336 20 0 BEADLP CC[C@@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000337210158 386671030 /nfs/dbraw/zinc/67/10/30/386671030.db2.gz CBHROMFWHITLKR-CYBMUJFWSA-N 2 2 233.359 2.311 20 0 BEADLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000268694443 386682436 /nfs/dbraw/zinc/68/24/36/386682436.db2.gz AYVIMVKUNPJCDH-CYBMUJFWSA-N 2 2 247.386 2.434 20 0 BEADLP C[NH2+]CC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000414825456 386690379 /nfs/dbraw/zinc/69/03/79/386690379.db2.gz SUWXBPJGUVBOFM-UHFFFAOYSA-N 2 2 244.338 2.157 20 0 BEADLP C[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1C)[NH+](C)C ZINC000268848801 386705786 /nfs/dbraw/zinc/70/57/86/386705786.db2.gz GUPCLOXJMYWLPB-LALPHHSUSA-N 2 2 232.371 2.460 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043327153 386707037 /nfs/dbraw/zinc/70/70/37/386707037.db2.gz QQDJKGQCUGVKDF-TZMCWYRMSA-N 2 2 218.344 2.398 20 0 BEADLP C[N@H+](Cc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000043459171 386707155 /nfs/dbraw/zinc/70/71/55/386707155.db2.gz JTSMMXUCZGWWAI-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[N@@H+](Cc1cc(F)ccc1F)C1CC[NH2+]CC1 ZINC000043459171 386707163 /nfs/dbraw/zinc/70/71/63/386707163.db2.gz JTSMMXUCZGWWAI-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043327155 386708268 /nfs/dbraw/zinc/70/82/68/386708268.db2.gz QQDJKGQCUGVKDF-OCCSQVGLSA-N 2 2 218.344 2.398 20 0 BEADLP Fc1cccc(F)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414837044 386732073 /nfs/dbraw/zinc/73/20/73/386732073.db2.gz VJFURRIEIPTEPI-JTQLQIEISA-N 2 2 240.297 2.054 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000336760973 386747425 /nfs/dbraw/zinc/74/74/25/386747425.db2.gz MFGQWJDRGBHRHF-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000336760973 386747430 /nfs/dbraw/zinc/74/74/30/386747430.db2.gz MFGQWJDRGBHRHF-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000414930788 386754598 /nfs/dbraw/zinc/75/45/98/386754598.db2.gz PGVYYHFRZPWUKL-ZWNOBZJWSA-N 2 2 238.400 2.398 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCC[C@@H]3CCO3)C2)[nH]1 ZINC000637953458 386758931 /nfs/dbraw/zinc/75/89/31/386758931.db2.gz QJZMFQLYFKRAHV-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCC[C@@H]3CCO3)C2)[nH]1 ZINC000637953458 386758940 /nfs/dbraw/zinc/75/89/40/386758940.db2.gz QJZMFQLYFKRAHV-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP C[C@H](CCc1ccsc1)[NH2+]CC[NH+](C)C ZINC000336761538 386765847 /nfs/dbraw/zinc/76/58/47/386765847.db2.gz NHWARSAOIMKGEK-LLVKDONJSA-N 2 2 226.389 2.220 20 0 BEADLP c1cnc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2c1 ZINC000020247792 386791547 /nfs/dbraw/zinc/79/15/47/386791547.db2.gz DMYKJNZVVIMPGP-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1cnc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2c1 ZINC000020247792 386791558 /nfs/dbraw/zinc/79/15/58/386791558.db2.gz DMYKJNZVVIMPGP-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1F ZINC000414934770 386801166 /nfs/dbraw/zinc/80/11/66/386801166.db2.gz TVPNZLGXYPJREA-SMDDNHRTSA-N 2 2 236.334 2.222 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000336744197 386803417 /nfs/dbraw/zinc/80/34/17/386803417.db2.gz ZBGYQDTWYAUQMV-IKWCTNDRSA-N 2 2 210.365 2.247 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000336744197 386803423 /nfs/dbraw/zinc/80/34/23/386803423.db2.gz ZBGYQDTWYAUQMV-IKWCTNDRSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H](C[NH2+][C@H]1COC(C)(C)C1)[NH+]1CCCC1 ZINC000417850499 386808875 /nfs/dbraw/zinc/80/88/75/386808875.db2.gz BNLLVZPVJHSUGO-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1[nH]cc[nH+]1 ZINC000357700865 386829572 /nfs/dbraw/zinc/82/95/72/386829572.db2.gz VHONLCPTDDDOPI-VIFPVBQESA-N 2 2 242.286 2.244 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417878057 386834784 /nfs/dbraw/zinc/83/47/84/386834784.db2.gz OKRLSHZAWNVDGN-JYJNAYRXSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417878057 386834790 /nfs/dbraw/zinc/83/47/90/386834790.db2.gz OKRLSHZAWNVDGN-JYJNAYRXSA-N 2 2 244.382 2.474 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000357777790 386841717 /nfs/dbraw/zinc/84/17/17/386841717.db2.gz JOXBZTDATMHBCT-CYBMUJFWSA-N 2 2 233.359 2.136 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414938049 386855850 /nfs/dbraw/zinc/85/58/50/386855850.db2.gz VWVXPUFNWSYSSU-SWLSCSKDSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414938111 386857505 /nfs/dbraw/zinc/85/75/05/386857505.db2.gz DVXZGCWMFHUVKD-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000165162168 386871983 /nfs/dbraw/zinc/87/19/83/386871983.db2.gz WXIOSCUUXJXPGT-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000336739249 386876878 /nfs/dbraw/zinc/87/68/78/386876878.db2.gz LBYQOQDAGHBFHO-NEPJUHHUSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000414941760 386886109 /nfs/dbraw/zinc/88/61/09/386886109.db2.gz YWLREZATYQRMHH-GXFFZTMASA-N 2 2 238.762 2.428 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000414941756 386887096 /nfs/dbraw/zinc/88/70/96/386887096.db2.gz YWLREZATYQRMHH-GWCFXTLKSA-N 2 2 238.762 2.428 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000334863322 386917453 /nfs/dbraw/zinc/91/74/53/386917453.db2.gz MNXIHINERDDGFP-JSGCOSHPSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000334857885 386910223 /nfs/dbraw/zinc/91/02/23/386910223.db2.gz PYGOEGVNHABSRC-CABZTGNLSA-N 2 2 240.297 2.052 20 0 BEADLP CC1(C)CC[C@H]([N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000367945140 386921557 /nfs/dbraw/zinc/92/15/57/386921557.db2.gz UVMOKBKYTDXHKS-NSHDSACASA-N 2 2 219.332 2.277 20 0 BEADLP CC1(C)CC[C@H]([N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000367945140 386921564 /nfs/dbraw/zinc/92/15/64/386921564.db2.gz UVMOKBKYTDXHKS-NSHDSACASA-N 2 2 219.332 2.277 20 0 BEADLP CC(C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000335774608 386924043 /nfs/dbraw/zinc/92/40/43/386924043.db2.gz HUIPFBHHTAAUOJ-LBPRGKRZSA-N 2 2 233.359 2.417 20 0 BEADLP CC(C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000335774608 386924049 /nfs/dbraw/zinc/92/40/49/386924049.db2.gz HUIPFBHHTAAUOJ-LBPRGKRZSA-N 2 2 233.359 2.417 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)s1 ZINC000334873961 386934590 /nfs/dbraw/zinc/93/45/90/386934590.db2.gz LTKIETDRWKROEA-NSHDSACASA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000334875517 386937444 /nfs/dbraw/zinc/93/74/44/386937444.db2.gz UKFVEFPQUMCFLJ-ZDUSSCGKSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1CC[C@@]2(CC[N@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890108 386962819 /nfs/dbraw/zinc/96/28/19/386962819.db2.gz MSJUVDAKKWLQKF-ZIAGYGMSSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@@H]1CC[C@@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890108 386962824 /nfs/dbraw/zinc/96/28/24/386962824.db2.gz MSJUVDAKKWLQKF-ZIAGYGMSSA-N 2 2 233.359 2.395 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CS1 ZINC000336763518 386969066 /nfs/dbraw/zinc/96/90/66/386969066.db2.gz PGSJUWBQXJDIKG-TUAOUCFPSA-N 2 2 230.421 2.056 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000425363291 386970304 /nfs/dbraw/zinc/97/03/04/386970304.db2.gz WSLQRQYKKKIVFH-FRRDWIJNSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)=CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368592200 386990863 /nfs/dbraw/zinc/99/08/63/386990863.db2.gz KFPGJXLSKKCJPE-GFCCVEGCSA-N 2 2 219.332 2.176 20 0 BEADLP CC(C)=CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368592200 386990867 /nfs/dbraw/zinc/99/08/67/386990867.db2.gz KFPGJXLSKKCJPE-GFCCVEGCSA-N 2 2 219.332 2.176 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)nc1C ZINC000314760245 386998012 /nfs/dbraw/zinc/99/80/12/386998012.db2.gz KASJLUQPKGJINY-DOMZBBRYSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)nc1C ZINC000314760245 386998017 /nfs/dbraw/zinc/99/80/17/386998017.db2.gz KASJLUQPKGJINY-DOMZBBRYSA-N 2 2 247.386 2.128 20 0 BEADLP C[C@H]([NH3+])C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000110651648 387066573 /nfs/dbraw/zinc/06/65/73/387066573.db2.gz SCTUGKWGBJFNAF-JTQLQIEISA-N 2 2 244.342 2.127 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000425371593 387012328 /nfs/dbraw/zinc/01/23/28/387012328.db2.gz QLGULUIDRLHYBJ-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000425371593 387012333 /nfs/dbraw/zinc/01/23/33/387012333.db2.gz QLGULUIDRLHYBJ-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000425371591 387012626 /nfs/dbraw/zinc/01/26/26/387012626.db2.gz QLGULUIDRLHYBJ-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000425371591 387012633 /nfs/dbraw/zinc/01/26/33/387012633.db2.gz QLGULUIDRLHYBJ-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945174 387017697 /nfs/dbraw/zinc/01/76/97/387017697.db2.gz NMTVSYAANJZJCM-OCCSQVGLSA-N 2 2 230.355 2.215 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CC1 ZINC000334945174 387017699 /nfs/dbraw/zinc/01/76/99/387017699.db2.gz NMTVSYAANJZJCM-OCCSQVGLSA-N 2 2 230.355 2.215 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCCCO3)C2)[nH]1 ZINC000334880670 387023827 /nfs/dbraw/zinc/02/38/27/387023827.db2.gz PYQBNASNYMJRQT-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCCCO3)C2)[nH]1 ZINC000334880670 387023829 /nfs/dbraw/zinc/02/38/29/387023829.db2.gz PYQBNASNYMJRQT-OLZOCXBDSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)[nH]1 ZINC000334880669 387024461 /nfs/dbraw/zinc/02/44/61/387024461.db2.gz PYQBNASNYMJRQT-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)[nH]1 ZINC000334880669 387024466 /nfs/dbraw/zinc/02/44/66/387024466.db2.gz PYQBNASNYMJRQT-CHWSQXEVSA-N 2 2 249.358 2.158 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000334997561 387090289 /nfs/dbraw/zinc/09/02/89/387090289.db2.gz DLYNWQZRDAFORX-CQSZACIVSA-N 2 2 233.359 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c(C)n1 ZINC000334997561 387090293 /nfs/dbraw/zinc/09/02/93/387090293.db2.gz DLYNWQZRDAFORX-CQSZACIVSA-N 2 2 233.359 2.012 20 0 BEADLP Cc1c[nH+]ccc1NCc1cn2ccccc2[nH+]1 ZINC000359363889 387091581 /nfs/dbraw/zinc/09/15/81/387091581.db2.gz BWOCKKLMUWUOCH-UHFFFAOYSA-N 2 2 238.294 2.072 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CCSCC2)C[N@@H+]1C1CC1 ZINC000129882174 387104633 /nfs/dbraw/zinc/10/46/33/387104633.db2.gz NHGHDEFPKJCPBF-PWSUYJOCSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2CCSCC2)C[N@H+]1C1CC1 ZINC000129882174 387104639 /nfs/dbraw/zinc/10/46/39/387104639.db2.gz NHGHDEFPKJCPBF-PWSUYJOCSA-N 2 2 240.416 2.097 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCOCC1 ZINC000062767649 387114830 /nfs/dbraw/zinc/11/48/30/387114830.db2.gz PBPPVYZAHWEPQZ-AWEZNQCLSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCOCC1 ZINC000062767649 387114833 /nfs/dbraw/zinc/11/48/33/387114833.db2.gz PBPPVYZAHWEPQZ-AWEZNQCLSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1c[nH+]ccc1CCNc1cc[nH+]cc1C ZINC000359596192 387132061 /nfs/dbraw/zinc/13/20/61/387132061.db2.gz QGOSJXZMGBTQEL-UHFFFAOYSA-N 2 2 227.311 2.170 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335030249 387124975 /nfs/dbraw/zinc/12/49/75/387124975.db2.gz AQXGSUUKHIWLAH-GXTWGEPZSA-N 2 2 234.318 2.155 20 0 BEADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335031240 387126666 /nfs/dbraw/zinc/12/66/66/387126666.db2.gz GOVBRPBAFIIPIW-IUODEOHRSA-N 2 2 245.370 2.275 20 0 BEADLP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000335031762 387126843 /nfs/dbraw/zinc/12/68/43/387126843.db2.gz IFAVWHPHYHCSMY-WFASDCNBSA-N 2 2 246.354 2.111 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499603 387068107 /nfs/dbraw/zinc/06/81/07/387068107.db2.gz HEZYNOQYIWGRDT-OAHLLOKOSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070499603 387068117 /nfs/dbraw/zinc/06/81/17/387068117.db2.gz HEZYNOQYIWGRDT-OAHLLOKOSA-N 2 2 230.355 2.098 20 0 BEADLP CC[C@H](F)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156906 387145288 /nfs/dbraw/zinc/14/52/88/387145288.db2.gz UCGIOCNOMCNYNG-ACJTYDJDSA-N 2 2 228.355 2.292 20 0 BEADLP CC[C@H](F)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353156906 387145289 /nfs/dbraw/zinc/14/52/89/387145289.db2.gz UCGIOCNOMCNYNG-ACJTYDJDSA-N 2 2 228.355 2.292 20 0 BEADLP CC[C@H](F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353156906 387145292 /nfs/dbraw/zinc/14/52/92/387145292.db2.gz UCGIOCNOMCNYNG-ACJTYDJDSA-N 2 2 228.355 2.292 20 0 BEADLP CC[C@H](F)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353156906 387145297 /nfs/dbraw/zinc/14/52/97/387145297.db2.gz UCGIOCNOMCNYNG-ACJTYDJDSA-N 2 2 228.355 2.292 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000423343378 387192504 /nfs/dbraw/zinc/19/25/04/387192504.db2.gz WDAVOZZVJCFBGN-MCIONIFRSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423312211 387149365 /nfs/dbraw/zinc/14/93/65/387149365.db2.gz CUMKJVJELVQBOG-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423314382 387153426 /nfs/dbraw/zinc/15/34/26/387153426.db2.gz GXLUWDZIDTTXFJ-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423315055 387153612 /nfs/dbraw/zinc/15/36/12/387153612.db2.gz IGCREFHWQYJHKA-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccsc1 ZINC000423314554 387154838 /nfs/dbraw/zinc/15/48/38/387154838.db2.gz WFSVJBNVMZGIPN-SNVBAGLBSA-N 2 2 212.362 2.398 20 0 BEADLP CCC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccn1 ZINC000423315462 387156262 /nfs/dbraw/zinc/15/62/62/387156262.db2.gz ITOSWWDQZGSLOP-OLZOCXBDSA-N 2 2 233.359 2.250 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423343377 387192930 /nfs/dbraw/zinc/19/29/30/387192930.db2.gz WDAVOZZVJCFBGN-BFHYXJOUSA-N 2 2 242.407 2.027 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c(C)o1 ZINC000423318501 387158627 /nfs/dbraw/zinc/15/86/27/387158627.db2.gz LEVAMMWHPVKJDN-NOZJJQNGSA-N 2 2 222.332 2.284 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000423322769 387163841 /nfs/dbraw/zinc/16/38/41/387163841.db2.gz GXAFGLVQZXGOIK-ZDUSSCGKSA-N 2 2 242.407 2.171 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)o1 ZINC000423321694 387164887 /nfs/dbraw/zinc/16/48/87/387164887.db2.gz NMPDLDMLPXCOBD-JOYOIKCWSA-N 2 2 222.332 2.230 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423328861 387172162 /nfs/dbraw/zinc/17/21/62/387172162.db2.gz SMPACDBIMVKHNT-WCBMZHEXSA-N 2 2 240.372 2.145 20 0 BEADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[NH2+]CCOC ZINC000423330062 387173171 /nfs/dbraw/zinc/17/31/71/387173171.db2.gz LUZPKBACFWIEQJ-BFHYXJOUSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423336223 387184168 /nfs/dbraw/zinc/18/41/68/387184168.db2.gz UGHCKLDILHPAPF-MNOVXSKESA-N 2 2 229.327 2.233 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423338603 387187897 /nfs/dbraw/zinc/18/78/97/387187897.db2.gz WGZDMFJKNWNHKU-RQJHMYQMSA-N 2 2 218.753 2.399 20 0 BEADLP Cc1sccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336359227 387189038 /nfs/dbraw/zinc/18/90/38/387189038.db2.gz JPLODTXNCCLIDR-LBPRGKRZSA-N 2 2 247.367 2.358 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)o1 ZINC000423341809 387189603 /nfs/dbraw/zinc/18/96/03/387189603.db2.gz YCDGOBYXRJYCAP-JTQLQIEISA-N 2 2 208.305 2.120 20 0 BEADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423302737 387135534 /nfs/dbraw/zinc/13/55/34/387135534.db2.gz KBFGXGKOEAQEKU-VHDGCEQUSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)c1nc([C@H](C)[NH2+]CC2C[NH2+]C2)cs1 ZINC000423304673 387139203 /nfs/dbraw/zinc/13/92/03/387139203.db2.gz OQYUPLSPRFRUKU-VIFPVBQESA-N 2 2 239.388 2.137 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sccc1OC ZINC000423305164 387139763 /nfs/dbraw/zinc/13/97/63/387139763.db2.gz BEODCOJYVGIDCN-JTQLQIEISA-N 2 2 242.388 2.407 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423353755 387205701 /nfs/dbraw/zinc/20/57/01/387205701.db2.gz CEOKEVXADIWSPT-VCTAVGKDSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1F ZINC000423353979 387205942 /nfs/dbraw/zinc/20/59/42/387205942.db2.gz CJBWASABEYVLTH-MJVIPROJSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000423357534 387208785 /nfs/dbraw/zinc/20/87/85/387208785.db2.gz IGVXTHXUIBBOAX-ONERCXAPSA-N 2 2 248.345 2.401 20 0 BEADLP COc1cccc2cc([C@H](C)[NH2+][C@@H](C)C[NH3+])oc21 ZINC000423359234 387209362 /nfs/dbraw/zinc/20/93/62/387209362.db2.gz DAVCCACEUVSAFF-UWVGGRQHSA-N 2 2 248.326 2.439 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423358332 387209538 /nfs/dbraw/zinc/20/95/38/387209538.db2.gz JNXFCCJBOGDZQW-DYEKYZERSA-N 2 2 233.359 2.039 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000423357926 387210781 /nfs/dbraw/zinc/21/07/81/387210781.db2.gz IZSZTSNDKZSDBW-DLOVCJGASA-N 2 2 222.332 2.237 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(F)cc1 ZINC000423359114 387210827 /nfs/dbraw/zinc/21/08/27/387210827.db2.gz KGGOJPOTHMXNOV-SUNKGSAMSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423359940 387210954 /nfs/dbraw/zinc/21/09/54/387210954.db2.gz DQTUIHYBNDOHPY-IUCAKERBSA-N 2 2 235.356 2.294 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccncc1 ZINC000423363294 387215811 /nfs/dbraw/zinc/21/58/11/387215811.db2.gz NWFNCGSCNBHPCP-XBFCOCLRSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccncc1F ZINC000423365042 387216362 /nfs/dbraw/zinc/21/63/62/387216362.db2.gz PBNCWWCJYACVPF-WDEREUQCSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000423366342 387217760 /nfs/dbraw/zinc/21/77/60/387217760.db2.gz QETSUOQJMWDUMQ-JBLDHEPKSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423367472 387218066 /nfs/dbraw/zinc/21/80/66/387218066.db2.gz MMLGVIIMUBAOBN-GXSJLCMTSA-N 2 2 222.332 2.230 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000423366345 387218868 /nfs/dbraw/zinc/21/88/68/387218868.db2.gz QETSUOQJMWDUMQ-NHCYSSNCSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000423366347 387219264 /nfs/dbraw/zinc/21/92/64/387219264.db2.gz QETSUOQJMWDUMQ-SCVCMEIPSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(F)c1 ZINC000423368547 387220590 /nfs/dbraw/zinc/22/05/90/387220590.db2.gz RZBFLXNCLPLAMY-MJVIPROJSA-N 2 2 236.334 2.474 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423369181 387221833 /nfs/dbraw/zinc/22/18/33/387221833.db2.gz SOMNCQPNKQDWIX-MBNYWOFBSA-N 2 2 218.344 2.335 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423371270 387224799 /nfs/dbraw/zinc/22/47/99/387224799.db2.gz UYTYNZVEZBXIPM-OBJOEFQTSA-N 2 2 247.386 2.293 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000336396238 387224871 /nfs/dbraw/zinc/22/48/71/387224871.db2.gz GOBSMCJOILXTSW-ZJUUUORDSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000336396238 387224874 /nfs/dbraw/zinc/22/48/74/387224874.db2.gz GOBSMCJOILXTSW-ZJUUUORDSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423371976 387225746 /nfs/dbraw/zinc/22/57/46/387225746.db2.gz QREGDJYKCRBXFO-YUMQZZPRSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(O)c1 ZINC000423371904 387226385 /nfs/dbraw/zinc/22/63/85/387226385.db2.gz VLLDMKDOSXSSOQ-SUNKGSAMSA-N 2 2 234.343 2.041 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccncc1F ZINC000423372986 387227912 /nfs/dbraw/zinc/22/79/12/387227912.db2.gz GMYBIIJEYWYUCR-GMTAPVOTSA-N 2 2 237.322 2.012 20 0 BEADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CSC1 ZINC000648638970 387230426 /nfs/dbraw/zinc/23/04/26/387230426.db2.gz XHQMEEUJPLDXAC-LBPRGKRZSA-N 2 2 242.432 2.202 20 0 BEADLP C[NH+](C)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000120349081 387232219 /nfs/dbraw/zinc/23/22/19/387232219.db2.gz XXPOPXWEUDEYBT-UHFFFAOYSA-N 2 2 236.334 2.352 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000423403073 387237847 /nfs/dbraw/zinc/23/78/47/387237847.db2.gz YBUVAEVOPJPIOJ-MXWKQRLJSA-N 2 2 208.305 2.071 20 0 BEADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336419667 387246216 /nfs/dbraw/zinc/24/62/16/387246216.db2.gz IVFRWMDSHGHLNQ-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336419667 387246222 /nfs/dbraw/zinc/24/62/22/387246222.db2.gz IVFRWMDSHGHLNQ-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000336419667 387246226 /nfs/dbraw/zinc/24/62/26/387246226.db2.gz IVFRWMDSHGHLNQ-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000336419667 387246228 /nfs/dbraw/zinc/24/62/28/387246228.db2.gz IVFRWMDSHGHLNQ-SMDDNHRTSA-N 2 2 236.359 2.360 20 0 BEADLP COC[C@]1(C[NH2+][C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000423414824 387247816 /nfs/dbraw/zinc/24/78/16/387247816.db2.gz COKBKHUEXDNRSK-UKRRQHHQSA-N 2 2 248.370 2.106 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCOC2)c[nH+]1 ZINC000353658827 387251097 /nfs/dbraw/zinc/25/10/97/387251097.db2.gz JVUMSZVUGCAINX-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCOC2)c[nH+]1 ZINC000353658827 387251101 /nfs/dbraw/zinc/25/11/01/387251101.db2.gz JVUMSZVUGCAINX-CQSZACIVSA-N 2 2 234.343 2.043 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]CC1CCCCC1)CC2 ZINC000336420857 387251560 /nfs/dbraw/zinc/25/15/60/387251560.db2.gz MHRLYAYMWGBQBQ-CYBMUJFWSA-N 2 2 233.359 2.368 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423462635 387310130 /nfs/dbraw/zinc/31/01/30/387310130.db2.gz KXGLSSFRKRRPQB-BDAKNGLRSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423463164 387310807 /nfs/dbraw/zinc/31/08/07/387310807.db2.gz LEYGDAHANYRSSN-WPRPVWTQSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000423465565 387312454 /nfs/dbraw/zinc/31/24/54/387312454.db2.gz MSGLASLTESMSJC-JQWIXIFHSA-N 2 2 238.379 2.160 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423464026 387313293 /nfs/dbraw/zinc/31/32/93/387313293.db2.gz LTWMVKDWOJBIAZ-SCZZXKLOSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CC=CCC2)n1C ZINC000514952734 387314179 /nfs/dbraw/zinc/31/41/79/387314179.db2.gz ZSYYOTDYNSAOOL-CYBMUJFWSA-N 2 2 219.332 2.317 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423467889 387315469 /nfs/dbraw/zinc/31/54/69/387315469.db2.gz OEBFGUSHTGDKET-TZMCWYRMSA-N 2 2 235.375 2.496 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])CC)c1ccccn1 ZINC000423470892 387316934 /nfs/dbraw/zinc/31/69/34/387316934.db2.gz PKCYFXGONGQAOX-VXGBXAGGSA-N 2 2 221.348 2.250 20 0 BEADLP CC(C)C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccn1 ZINC000423378202 387258829 /nfs/dbraw/zinc/25/88/29/387258829.db2.gz WDNLXJNHKVSKKS-WCQYABFASA-N 2 2 221.348 2.106 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1csc(Cl)c1 ZINC000423378230 387260652 /nfs/dbraw/zinc/26/06/52/387260652.db2.gz WGZDMFJKNWNHKU-NKWVEPMBSA-N 2 2 218.753 2.399 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccs1 ZINC000423379966 387262162 /nfs/dbraw/zinc/26/21/62/387262162.db2.gz MJIORTQYXBKIQA-NXEZZACHSA-N 2 2 212.362 2.397 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1C ZINC000321504915 387268422 /nfs/dbraw/zinc/26/84/22/387268422.db2.gz HIEUOIKIUMXIRG-MGPQQGTHSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000120995983 387288427 /nfs/dbraw/zinc/28/84/27/387288427.db2.gz ZSCPKMRMFLDRJM-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000120995983 387288433 /nfs/dbraw/zinc/28/84/33/387288433.db2.gz ZSCPKMRMFLDRJM-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000423441216 387290184 /nfs/dbraw/zinc/29/01/84/387290184.db2.gz BCAZLEUUGYFZEG-VHSXEESVSA-N 2 2 240.322 2.222 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(F)c1 ZINC000423442888 387293372 /nfs/dbraw/zinc/29/33/72/387293372.db2.gz KGEWRKKLUQPVRY-AEJSXWLSSA-N 2 2 240.322 2.221 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000423449733 387296981 /nfs/dbraw/zinc/29/69/81/387296981.db2.gz RYPZBCATFMEACU-MXWKQRLJSA-N 2 2 221.348 2.030 20 0 BEADLP CCC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccn1 ZINC000423452753 387299993 /nfs/dbraw/zinc/29/99/93/387299993.db2.gz WUYOHACLFJFBMU-WZRBSPASSA-N 2 2 221.348 2.248 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)nc1 ZINC000336542018 387363928 /nfs/dbraw/zinc/36/39/28/387363928.db2.gz DCBLUDXCQIWXQM-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)nc1 ZINC000336542018 387363931 /nfs/dbraw/zinc/36/39/31/387363931.db2.gz DCBLUDXCQIWXQM-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP c1[nH]cc(C2CC[NH+](C[C@H]3CCCCO3)CC2)[nH+]1 ZINC000336554294 387377338 /nfs/dbraw/zinc/37/73/38/387377338.db2.gz SMDFGMUAGRRWDO-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@H]1C ZINC000321925015 387321315 /nfs/dbraw/zinc/32/13/15/387321315.db2.gz RQQLEEZFOFMVSY-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)o1 ZINC000423476880 387323654 /nfs/dbraw/zinc/32/36/54/387323654.db2.gz SUXBUCHEYQVCEV-UWVGGRQHSA-N 2 2 210.321 2.230 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623337464 387336638 /nfs/dbraw/zinc/33/66/38/387336638.db2.gz LHKHRERZBSJJSD-UBHSHLNASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nccs1 ZINC000423503085 387343214 /nfs/dbraw/zinc/34/32/14/387343214.db2.gz MLQCWBWPLOGKEW-GXSJLCMTSA-N 2 2 239.388 2.311 20 0 BEADLP CC1CCC([N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000162361730 387345041 /nfs/dbraw/zinc/34/50/41/387345041.db2.gz UTBPSSMDRJWIBN-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP CC1CCC([N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000162361730 387345047 /nfs/dbraw/zinc/34/50/47/387345047.db2.gz UTBPSSMDRJWIBN-UHFFFAOYSA-N 2 2 221.348 2.394 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](O)CC2)c[nH+]1 ZINC000354727559 387424537 /nfs/dbraw/zinc/42/45/37/387424537.db2.gz GDSHVGQKIPDHAK-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](O)CC2)c[nH+]1 ZINC000354727559 387424543 /nfs/dbraw/zinc/42/45/43/387424543.db2.gz GDSHVGQKIPDHAK-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(OC)c1 ZINC000643506599 387461682 /nfs/dbraw/zinc/46/16/82/387461682.db2.gz CYBOKOUHFHPKRQ-HNNXBMFYSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)n1 ZINC000643505750 387453245 /nfs/dbraw/zinc/45/32/45/387453245.db2.gz FXUVCEXMVZQAQI-DGCLKSJQSA-N 2 2 233.359 2.101 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000361005707 387385669 /nfs/dbraw/zinc/38/56/69/387385669.db2.gz WQAOABSCDNDAID-CZUORRHYSA-N 2 2 244.382 2.412 20 0 BEADLP C=Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000361005707 387385676 /nfs/dbraw/zinc/38/56/76/387385676.db2.gz WQAOABSCDNDAID-CZUORRHYSA-N 2 2 244.382 2.412 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)CCO1 ZINC000648485754 387387349 /nfs/dbraw/zinc/38/73/49/387387349.db2.gz BTKJVRFBILIQQM-GJZGRUSLSA-N 2 2 248.370 2.480 20 0 BEADLP CC(C)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000643455181 387390811 /nfs/dbraw/zinc/39/08/11/387390811.db2.gz BMTYGTQCRJIROK-FOSCPWQOSA-N 2 2 249.358 2.171 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC)cc1 ZINC000643506509 387459991 /nfs/dbraw/zinc/45/99/91/387459991.db2.gz ZHXAQXRIVHMTEO-OAHLLOKOSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CCC[NH2+]C1 ZINC000643503373 387391161 /nfs/dbraw/zinc/39/11/61/387391161.db2.gz HXXWRCDOMOPIKQ-OUAUKWLOSA-N 2 2 239.388 2.182 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](O)[C@H](C)C2)c[nH+]1 ZINC000354630008 387407643 /nfs/dbraw/zinc/40/76/43/387407643.db2.gz CVQYSPKUSJZFGZ-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H](O)[C@H](C)C2)c[nH+]1 ZINC000354630008 387407647 /nfs/dbraw/zinc/40/76/47/387407647.db2.gz CVQYSPKUSJZFGZ-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP C/C=C\C[C@@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354654401 387411835 /nfs/dbraw/zinc/41/18/35/387411835.db2.gz FSXRESOVJBQJHU-JZIMQPMSSA-N 2 2 248.370 2.239 20 0 BEADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000643508856 387498864 /nfs/dbraw/zinc/49/88/64/387498864.db2.gz JAPOXYAENZSWBM-QMTHXVAHSA-N 2 2 244.342 2.069 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccncc1 ZINC000361762392 387531305 /nfs/dbraw/zinc/53/13/05/387531305.db2.gz CYRFDIZIJKIAFB-KWCYVHTRSA-N 2 2 233.359 2.072 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccncc1 ZINC000361762392 387531309 /nfs/dbraw/zinc/53/13/09/387531309.db2.gz CYRFDIZIJKIAFB-KWCYVHTRSA-N 2 2 233.359 2.072 20 0 BEADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000122480179 387535199 /nfs/dbraw/zinc/53/51/99/387535199.db2.gz CYLIVZFJQQALKJ-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643506045 387465543 /nfs/dbraw/zinc/46/55/43/387465543.db2.gz JBVWWEPJMWGKKF-CQSZACIVSA-N 2 2 218.344 2.479 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506166 387465721 /nfs/dbraw/zinc/46/57/21/387465721.db2.gz MLRXXSNNWONSCO-CQSZACIVSA-N 2 2 216.328 2.016 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643506044 387465868 /nfs/dbraw/zinc/46/58/68/387465868.db2.gz JBVWWEPJMWGKKF-AWEZNQCLSA-N 2 2 218.344 2.479 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)c(F)c1 ZINC000643506126 387466334 /nfs/dbraw/zinc/46/63/34/387466334.db2.gz LILWHZFEXMNJHY-SECBINFHSA-N 2 2 240.297 2.367 20 0 BEADLP c1cncc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CCC2)c1 ZINC000643507494 387485809 /nfs/dbraw/zinc/48/58/09/387485809.db2.gz GRJPKVFFRAKSRT-HNNXBMFYSA-N 2 2 245.370 2.264 20 0 BEADLP c1cn(CCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000304565203 387491743 /nfs/dbraw/zinc/49/17/43/387491743.db2.gz LVKNTQZQZQQJOK-FRRDWIJNSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)s1 ZINC000643511794 387593860 /nfs/dbraw/zinc/59/38/60/387593860.db2.gz OJEXENINNSAVFU-KCJUWKMLSA-N 2 2 241.404 2.394 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s1 ZINC000643511764 387594769 /nfs/dbraw/zinc/59/47/69/387594769.db2.gz GPGWXOCUOBUMOO-WPRPVWTQSA-N 2 2 227.377 2.085 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000643511975 387594789 /nfs/dbraw/zinc/59/47/89/387594789.db2.gz YBDMSXJXARZUIV-CHWSQXEVSA-N 2 2 233.359 2.032 20 0 BEADLP c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(C2CC2)c1 ZINC000422552426 387599236 /nfs/dbraw/zinc/59/92/36/387599236.db2.gz HHGQVWWEMJISQP-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(C2CC2)c1 ZINC000422552425 387599410 /nfs/dbraw/zinc/59/94/10/387599410.db2.gz HHGQVWWEMJISQP-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C1C[NH2+]C1 ZINC000422715636 387627973 /nfs/dbraw/zinc/62/79/73/387627973.db2.gz STGAPUXMEJTGQJ-BDAKNGLRSA-N 2 2 240.297 2.223 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1cccc(F)c1F)C1CC1 ZINC000430580133 387630727 /nfs/dbraw/zinc/63/07/27/387630727.db2.gz DMODZTGIZAJISW-ZDUSSCGKSA-N 2 2 240.297 2.182 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000376430205 387631026 /nfs/dbraw/zinc/63/10/26/387631026.db2.gz XCZKWUUSPMETOV-GFCCVEGCSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000376430205 387631036 /nfs/dbraw/zinc/63/10/36/387631036.db2.gz XCZKWUUSPMETOV-GFCCVEGCSA-N 2 2 219.332 2.010 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000527536227 387631318 /nfs/dbraw/zinc/63/13/18/387631318.db2.gz UQINICOHSJVESR-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000527536227 387631322 /nfs/dbraw/zinc/63/13/22/387631322.db2.gz UQINICOHSJVESR-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccn1 ZINC000527536227 387631327 /nfs/dbraw/zinc/63/13/27/387631327.db2.gz UQINICOHSJVESR-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccn1 ZINC000527536227 387631332 /nfs/dbraw/zinc/63/13/32/387631332.db2.gz UQINICOHSJVESR-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430590003 387631794 /nfs/dbraw/zinc/63/17/94/387631794.db2.gz JPEDFYJIXLWZJZ-CVEARBPZSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000430590003 387631799 /nfs/dbraw/zinc/63/17/99/387631799.db2.gz JPEDFYJIXLWZJZ-CVEARBPZSA-N 2 2 244.382 2.364 20 0 BEADLP C[C@H]1CC(F)(F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000528766519 387635029 /nfs/dbraw/zinc/63/50/29/387635029.db2.gz GWKSRLCTXMHHCN-JTQLQIEISA-N 2 2 229.274 2.003 20 0 BEADLP C[C@H]1CC(F)(F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000528766519 387635034 /nfs/dbraw/zinc/63/50/34/387635034.db2.gz GWKSRLCTXMHHCN-JTQLQIEISA-N 2 2 229.274 2.003 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1C1CC1 ZINC000527632699 387642676 /nfs/dbraw/zinc/64/26/76/387642676.db2.gz RVNCAMVEDDZEFF-DRZSPHRISA-N 2 2 224.392 2.351 20 0 BEADLP CC[C@H](F)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000440785534 387695097 /nfs/dbraw/zinc/69/50/97/387695097.db2.gz PNTDTRHNMRPLSR-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000440785534 387695103 /nfs/dbraw/zinc/69/51/03/387695103.db2.gz PNTDTRHNMRPLSR-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000440785534 387695107 /nfs/dbraw/zinc/69/51/07/387695107.db2.gz PNTDTRHNMRPLSR-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@H](F)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000440785534 387695111 /nfs/dbraw/zinc/69/51/11/387695111.db2.gz PNTDTRHNMRPLSR-RYUDHWBXSA-N 2 2 216.344 2.008 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422739496 387645630 /nfs/dbraw/zinc/64/56/30/387645630.db2.gz LOHWDTSVJNVNKW-CHWSQXEVSA-N 2 2 234.343 2.055 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422747795 387651425 /nfs/dbraw/zinc/65/14/25/387651425.db2.gz RAAYXRJCDJKHMO-DYEKYZERSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672148 387653274 /nfs/dbraw/zinc/65/32/74/387653274.db2.gz CNSVTGWQRUFJND-AKUOKLNBSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672148 387653279 /nfs/dbraw/zinc/65/32/79/387653279.db2.gz CNSVTGWQRUFJND-AKUOKLNBSA-N 2 2 248.414 2.493 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000418115012 387695488 /nfs/dbraw/zinc/69/54/88/387695488.db2.gz NLWCLSBPFJTPJT-UHFFFAOYSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCOC1CCCCCC1 ZINC000430960869 387664711 /nfs/dbraw/zinc/66/47/11/387664711.db2.gz AIGWIBNLAFZENS-LBPRGKRZSA-N 2 2 228.380 2.005 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCOC1CCCCCC1 ZINC000430960869 387664714 /nfs/dbraw/zinc/66/47/14/387664714.db2.gz AIGWIBNLAFZENS-LBPRGKRZSA-N 2 2 228.380 2.005 20 0 BEADLP CC[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)OC ZINC000356530216 387669244 /nfs/dbraw/zinc/66/92/44/387669244.db2.gz RANCTLIGSOKXCE-AWEZNQCLSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714010 387670091 /nfs/dbraw/zinc/67/00/91/387670091.db2.gz YDJWVYMNYCHPOS-XEZLXBQYSA-N 2 2 245.370 2.291 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527714010 387670095 /nfs/dbraw/zinc/67/00/95/387670095.db2.gz YDJWVYMNYCHPOS-XEZLXBQYSA-N 2 2 245.370 2.291 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694796 387688033 /nfs/dbraw/zinc/68/80/33/387688033.db2.gz KYGFRFWNGDLPPO-GHYVTOPFSA-N 2 2 245.370 2.222 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000440771961 387688725 /nfs/dbraw/zinc/68/87/25/387688725.db2.gz SWAQDLJBPFVJAZ-CHWSQXEVSA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@@H](F)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000440771961 387688732 /nfs/dbraw/zinc/68/87/32/387688732.db2.gz SWAQDLJBPFVJAZ-CHWSQXEVSA-N 2 2 228.355 2.152 20 0 BEADLP CC[C@H]([NH2+]Cc1scnc1C)[C@@H]1CCC[NH2+]1 ZINC000422743065 387690939 /nfs/dbraw/zinc/69/09/39/387690939.db2.gz QVWFUAXRXMWFRY-QWRGUYRKSA-N 2 2 239.388 2.072 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](F)CC)C1 ZINC000440777844 387693009 /nfs/dbraw/zinc/69/30/09/387693009.db2.gz XRHNNRFHGLTIIG-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](F)CC)C1 ZINC000440777844 387693012 /nfs/dbraw/zinc/69/30/12/387693012.db2.gz XRHNNRFHGLTIIG-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC000440777844 387693022 /nfs/dbraw/zinc/69/30/22/387693022.db2.gz XRHNNRFHGLTIIG-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](F)CC)C1 ZINC000440777844 387693028 /nfs/dbraw/zinc/69/30/28/387693028.db2.gz XRHNNRFHGLTIIG-CHWSQXEVSA-N 2 2 230.371 2.398 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000418114325 387693928 /nfs/dbraw/zinc/69/39/28/387693928.db2.gz LFNPOABDDBEACG-UHFFFAOYSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422791048 387694109 /nfs/dbraw/zinc/69/41/09/387694109.db2.gz VGUAHWSHCWKKOQ-WFASDCNBSA-N 2 2 232.371 2.337 20 0 BEADLP C[C@@H]([NH2+]Cc1ccsc1)c1c[nH+]ccc1N ZINC000422861154 387743541 /nfs/dbraw/zinc/74/35/41/387743541.db2.gz MIGMKDGIZLMBSQ-SECBINFHSA-N 2 2 233.340 2.406 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000222012101 387747396 /nfs/dbraw/zinc/74/73/96/387747396.db2.gz DDIDMQIMQRGEHS-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000222012101 387747400 /nfs/dbraw/zinc/74/74/00/387747400.db2.gz DDIDMQIMQRGEHS-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000643525965 387754485 /nfs/dbraw/zinc/75/44/85/387754485.db2.gz KKORVDJGPLCIAR-ZJUUUORDSA-N 2 2 218.300 2.431 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1F ZINC000422799718 387698928 /nfs/dbraw/zinc/69/89/28/387698928.db2.gz YDZXGNRBJQYXCS-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)nc1 ZINC000126954563 387700085 /nfs/dbraw/zinc/70/00/85/387700085.db2.gz DXVATYUVVMOLDA-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CC[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422805816 387704612 /nfs/dbraw/zinc/70/46/12/387704612.db2.gz JQEYMIYWUPSMEH-KBPBESRZSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)n1 ZINC000643521093 387709553 /nfs/dbraw/zinc/70/95/53/387709553.db2.gz ANAIOLZHYPXLFJ-VZJVUDMVSA-N 2 2 247.386 2.347 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)n1 ZINC000643521094 387710637 /nfs/dbraw/zinc/71/06/37/387710637.db2.gz ANAIOLZHYPXLFJ-XEGUGMAKSA-N 2 2 247.386 2.347 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000643525962 387755557 /nfs/dbraw/zinc/75/55/57/387755557.db2.gz KKORVDJGPLCIAR-NXEZZACHSA-N 2 2 218.300 2.431 20 0 BEADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000422838682 387729701 /nfs/dbraw/zinc/72/97/01/387729701.db2.gz OWOUIVITGBYOOL-ZETOZRRWSA-N 2 2 248.345 2.401 20 0 BEADLP CC(C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527810017 387731057 /nfs/dbraw/zinc/73/10/57/387731057.db2.gz TUNJLUXPPMRUOC-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527810017 387731060 /nfs/dbraw/zinc/73/10/60/387731060.db2.gz TUNJLUXPPMRUOC-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000129103888 387764432 /nfs/dbraw/zinc/76/44/32/387764432.db2.gz OVVSVSHRIRGXHD-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000129103888 387764435 /nfs/dbraw/zinc/76/44/35/387764435.db2.gz OVVSVSHRIRGXHD-OCCSQVGLSA-N 2 2 245.370 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527873923 387765741 /nfs/dbraw/zinc/76/57/41/387765741.db2.gz WXXLXLSTUYIRSG-XWUBHJNHSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CC12CC2 ZINC000527873923 387765745 /nfs/dbraw/zinc/76/57/45/387765745.db2.gz WXXLXLSTUYIRSG-XWUBHJNHSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000643528571 387769778 /nfs/dbraw/zinc/76/97/78/387769778.db2.gz LOSHUHWAUQCORY-BDAKNGLRSA-N 2 2 235.356 2.294 20 0 BEADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)[NH3+])CCCO2 ZINC000643528522 387770375 /nfs/dbraw/zinc/77/03/75/387770375.db2.gz KNQYWDRQTZZNAQ-GXTWGEPZSA-N 2 2 248.370 2.454 20 0 BEADLP COc1ccc[nH+]c1N1CCC([NH2+]C(C)C)CC1 ZINC000527881893 387771114 /nfs/dbraw/zinc/77/11/14/387771114.db2.gz QUPFUTCOXSYFCA-UHFFFAOYSA-N 2 2 249.358 2.057 20 0 BEADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])oc21 ZINC000643528752 387771976 /nfs/dbraw/zinc/77/19/76/387771976.db2.gz ODTNRJJXNFYXQP-ZJUUUORDSA-N 2 2 248.326 2.439 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CC12CC2 ZINC000527896635 387778463 /nfs/dbraw/zinc/77/84/63/387778463.db2.gz CNNAQHLEOHRZGO-GARJFASQSA-N 2 2 231.343 2.045 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CC12CC2 ZINC000527896635 387778468 /nfs/dbraw/zinc/77/84/68/387778468.db2.gz CNNAQHLEOHRZGO-GARJFASQSA-N 2 2 231.343 2.045 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527942033 387781314 /nfs/dbraw/zinc/78/13/14/387781314.db2.gz APHRRBBWKPBFLN-BXUZGUMPSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC=CC1 ZINC000527942033 387781319 /nfs/dbraw/zinc/78/13/19/387781319.db2.gz APHRRBBWKPBFLN-BXUZGUMPSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422979418 387788645 /nfs/dbraw/zinc/78/86/45/387788645.db2.gz MQXRAXVJWATNNW-UDDXRPRYSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)[C@H]1CCC[NH2+]1 ZINC000422979451 387790195 /nfs/dbraw/zinc/79/01/95/387790195.db2.gz MUMGGMWOKDOREE-LERXQTSPSA-N 2 2 246.354 2.110 20 0 BEADLP COc1ccc[nH+]c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000527983870 387801816 /nfs/dbraw/zinc/80/18/16/387801816.db2.gz XIXRPKUBNJOCGR-LBPRGKRZSA-N 2 2 249.358 2.011 20 0 BEADLP COC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952898 387809040 /nfs/dbraw/zinc/80/90/40/387809040.db2.gz COAVKFWHDBHNIN-CFVMTHIKSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000643526550 387756868 /nfs/dbraw/zinc/75/68/68/387756868.db2.gz AXSKQSYFZWYANV-MNOVXSKESA-N 2 2 229.327 2.233 20 0 BEADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)[NH3+])C2CCC2)o1 ZINC000643527998 387757004 /nfs/dbraw/zinc/75/70/04/387757004.db2.gz XDYXVDRAMSOUSX-NOZJJQNGSA-N 2 2 222.332 2.366 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527855382 387757442 /nfs/dbraw/zinc/75/74/42/387757442.db2.gz XAVMLIOONKDDLL-FRRDWIJNSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527855382 387757451 /nfs/dbraw/zinc/75/74/51/387757451.db2.gz XAVMLIOONKDDLL-FRRDWIJNSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1F ZINC000643527838 387758224 /nfs/dbraw/zinc/75/82/24/387758224.db2.gz UAHBLUQFLRYAMA-JOYOIKCWSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527854829 387758509 /nfs/dbraw/zinc/75/85/09/387758509.db2.gz XFKVLYIOXFTPQD-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527854829 387758512 /nfs/dbraw/zinc/75/85/12/387758512.db2.gz XFKVLYIOXFTPQD-RDBSUJKOSA-N 2 2 236.403 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@@H](CNc2[nH+]cccc2OC)C1 ZINC000527860448 387759504 /nfs/dbraw/zinc/75/95/04/387759504.db2.gz VXEQMJZXAJJYDN-LBPRGKRZSA-N 2 2 249.358 2.234 20 0 BEADLP CCC[N@H+]1CC[C@@H](CNc2[nH+]cccc2OC)C1 ZINC000527860448 387759509 /nfs/dbraw/zinc/75/95/09/387759509.db2.gz VXEQMJZXAJJYDN-LBPRGKRZSA-N 2 2 249.358 2.234 20 0 BEADLP CC(C)[NH+](CCC[NH2+][C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423003552 387825819 /nfs/dbraw/zinc/82/58/19/387825819.db2.gz HWCOTVPWYGAWOM-ZIAGYGMSSA-N 3 2 243.439 2.211 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423014109 387836331 /nfs/dbraw/zinc/83/63/31/387836331.db2.gz OHNPXPQKGPCWDU-HUUCEWRRSA-N 3 2 247.386 2.040 20 0 BEADLP C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423015745 387838768 /nfs/dbraw/zinc/83/87/68/387838768.db2.gz RKQCEVAQASCDRV-KCPJHIHWSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423044445 387855526 /nfs/dbraw/zinc/85/55/26/387855526.db2.gz ANVYXTOULOYTLW-BBBLOLIVSA-N 2 2 238.297 2.305 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1C[C@H]1C ZINC000322062905 387874425 /nfs/dbraw/zinc/87/44/25/387874425.db2.gz RJGCVGINYCGTNZ-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP COc1ccc(C2CC[NH+](C[C@@H](C)[NH3+])CC2)cc1 ZINC000442658462 387814075 /nfs/dbraw/zinc/81/40/75/387814075.db2.gz JCRBAEIYXDAXPO-GFCCVEGCSA-N 2 2 248.370 2.222 20 0 BEADLP CC[C@@](C)([NH2+]C[C@H](C)[NH3+])c1nc(C)cs1 ZINC000442654389 387814359 /nfs/dbraw/zinc/81/43/59/387814359.db2.gz BIEZZGFPAHVWMQ-GZMMTYOYSA-N 2 2 227.377 2.014 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccco1 ZINC000163638817 387816989 /nfs/dbraw/zinc/81/69/89/387816989.db2.gz GMYUVGSBWGHDRF-UHFFFAOYSA-N 2 2 210.321 2.100 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccco1 ZINC000163638817 387816996 /nfs/dbraw/zinc/81/69/96/387816996.db2.gz GMYUVGSBWGHDRF-UHFFFAOYSA-N 2 2 210.321 2.100 20 0 BEADLP COc1cccc([C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC000442667144 387819683 /nfs/dbraw/zinc/81/96/83/387819683.db2.gz YGJAXQUTODAHIU-BXUZGUMPSA-N 2 2 234.343 2.179 20 0 BEADLP COc1cccc([C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC000442667144 387819688 /nfs/dbraw/zinc/81/96/88/387819688.db2.gz YGJAXQUTODAHIU-BXUZGUMPSA-N 2 2 234.343 2.179 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccon1 ZINC000444633409 387897075 /nfs/dbraw/zinc/89/70/75/387897075.db2.gz SVYYGHNYALNUST-GFCCVEGCSA-N 2 2 237.347 2.201 20 0 BEADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538468 387876190 /nfs/dbraw/zinc/87/61/90/387876190.db2.gz KSGJQSIKKHDVST-NDKCEZKHSA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538360 387876404 /nfs/dbraw/zinc/87/64/04/387876404.db2.gz HXRLXBFRVDJRIX-CYDGBPFRSA-N 2 2 228.355 2.245 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccsc1 ZINC000643538312 387878484 /nfs/dbraw/zinc/87/84/84/387878484.db2.gz GMTNVWUPHIBFDF-SRVKXCTJSA-N 2 2 242.363 2.489 20 0 BEADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538588 387878665 /nfs/dbraw/zinc/87/86/65/387878665.db2.gz OLMPEOXZCRZDJL-SRVKXCTJSA-N 2 2 230.371 2.491 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000643540621 387881916 /nfs/dbraw/zinc/88/19/16/387881916.db2.gz YRKOZOBJLHPOSM-TVQRCGJNSA-N 2 2 240.297 2.279 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)[C@H]1C[C@@H]1C ZINC000322077154 387884150 /nfs/dbraw/zinc/88/41/50/387884150.db2.gz UCRVGIUTEWZWIP-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000236823139 387908669 /nfs/dbraw/zinc/90/86/69/387908669.db2.gz FNRUONXOTLLFJV-UHFFFAOYSA-N 2 2 247.386 2.292 20 0 BEADLP Cc1occc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000320996153 387911922 /nfs/dbraw/zinc/91/19/22/387911922.db2.gz RLVZZEXBPCNAKA-UHFFFAOYSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(F)cc(F)cc1F ZINC000423135338 387913285 /nfs/dbraw/zinc/91/32/85/387913285.db2.gz NSZLFWKEXHCCMA-JGVFFNPUSA-N 2 2 246.276 2.319 20 0 BEADLP C[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)[C@@H]1CCCC[NH2+]1 ZINC000423152008 387929541 /nfs/dbraw/zinc/92/95/41/387929541.db2.gz FCRTWVNJPYHCRV-CYDGBPFRSA-N 2 2 248.374 2.009 20 0 BEADLP C[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)[C@H]1CCCC[NH2+]1 ZINC000423152012 387929655 /nfs/dbraw/zinc/92/96/55/387929655.db2.gz FCRTWVNJPYHCRV-WUHRBBMRSA-N 2 2 248.374 2.009 20 0 BEADLP C[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)[C@@H]1CCCC[NH2+]1 ZINC000423152015 387929870 /nfs/dbraw/zinc/92/98/70/387929870.db2.gz FCRTWVNJPYHCRV-ZDEQEGDKSA-N 2 2 248.374 2.009 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1c[nH+]ccc1N ZINC000423147162 387924370 /nfs/dbraw/zinc/92/43/70/387924370.db2.gz RFNLEGDUJHOSRZ-UISBYWKRSA-N 2 2 223.295 2.035 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245547860 387958612 /nfs/dbraw/zinc/95/86/12/387958612.db2.gz YBXOVNARLIMNTB-KBPBESRZSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245547860 387958616 /nfs/dbraw/zinc/95/86/16/387958616.db2.gz YBXOVNARLIMNTB-KBPBESRZSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245547860 387958619 /nfs/dbraw/zinc/95/86/19/387958619.db2.gz YBXOVNARLIMNTB-KBPBESRZSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245547860 387958620 /nfs/dbraw/zinc/95/86/20/387958620.db2.gz YBXOVNARLIMNTB-KBPBESRZSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000423171840 387959701 /nfs/dbraw/zinc/95/97/01/387959701.db2.gz QEYXHFMSLZTVGA-OBCWZRDOSA-N 2 2 248.345 2.412 20 0 BEADLP CCOc1cccc2cc([C@H](C)[NH2+]CC[NH3+])oc21 ZINC000423175465 387962910 /nfs/dbraw/zinc/96/29/10/387962910.db2.gz APJMNNRFXYRLNF-JTQLQIEISA-N 2 2 248.326 2.441 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cncs1 ZINC000423182082 387968417 /nfs/dbraw/zinc/96/84/17/387968417.db2.gz PSLFYEPCNTVWQY-JTQLQIEISA-N 2 2 239.388 2.455 20 0 BEADLP CC(C)[C@H]([NH2+]CC[NH3+])c1cc(F)ccc1F ZINC000423187742 387971204 /nfs/dbraw/zinc/97/12/04/387971204.db2.gz PJONVRFAFJSVRV-LBPRGKRZSA-N 2 2 228.286 2.210 20 0 BEADLP COc1ccccc1[C@H]([NH2+]CC[NH3+])C1CCCC1 ZINC000423187769 387971280 /nfs/dbraw/zinc/97/12/80/387971280.db2.gz PMNVGLLJCWCDBE-OAHLLOKOSA-N 2 2 248.370 2.475 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccncc2)cc1 ZINC000423195724 387980143 /nfs/dbraw/zinc/98/01/43/387980143.db2.gz YDXBAJAJCGOSCN-LBPRGKRZSA-N 2 2 241.338 2.358 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453081200 387980666 /nfs/dbraw/zinc/98/06/66/387980666.db2.gz PPDRRNNRDCXQSU-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453081200 387980669 /nfs/dbraw/zinc/98/06/69/387980669.db2.gz PPDRRNNRDCXQSU-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000423190635 387975830 /nfs/dbraw/zinc/97/58/30/387975830.db2.gz REWKKXVNIAYQCV-STQMWFEESA-N 2 2 248.370 2.406 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000423202931 387989561 /nfs/dbraw/zinc/98/95/61/387989561.db2.gz LNXJATJJKWHDJO-SCZZXKLOSA-N 2 2 239.388 2.026 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[NH+](C)C ZINC000251951608 135081767 /nfs/dbraw/zinc/08/17/67/135081767.db2.gz WWUVNHBQUAPBAX-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000453097951 387984941 /nfs/dbraw/zinc/98/49/41/387984941.db2.gz WTLRORMOJMHPIC-OCCSQVGLSA-N 2 2 244.342 2.408 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000423212513 387995724 /nfs/dbraw/zinc/99/57/24/387995724.db2.gz JRZZTOXQPXNDGK-CHWSQXEVSA-N 2 2 222.307 2.228 20 0 BEADLP C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423199162 387985777 /nfs/dbraw/zinc/98/57/77/387985777.db2.gz JJDAMNBJOXUKOC-VIFPVBQESA-N 2 2 228.286 2.225 20 0 BEADLP CCCOc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423222466 388004440 /nfs/dbraw/zinc/00/44/40/388004440.db2.gz BCSTVEZVMUQGPO-GFCCVEGCSA-N 2 2 236.359 2.345 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)[C@H]1C ZINC000246068627 388005819 /nfs/dbraw/zinc/00/58/19/388005819.db2.gz HJAQWHNVCZMRFB-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP C[NH2+]CC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000423224613 388006365 /nfs/dbraw/zinc/00/63/65/388006365.db2.gz JOKHLKYGRUUDMP-CQSZACIVSA-N 2 2 218.344 2.255 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453214176 388011112 /nfs/dbraw/zinc/01/11/12/388011112.db2.gz DUUQFBQCBSYELV-CYBMUJFWSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000423226024 388009578 /nfs/dbraw/zinc/00/95/78/388009578.db2.gz PDNNVBYZVGFYQS-VIFPVBQESA-N 2 2 244.285 2.158 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000423225810 388010052 /nfs/dbraw/zinc/01/00/52/388010052.db2.gz OIGFHIJASLKOOH-AAEUAGOBSA-N 2 2 218.344 2.352 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000423227463 388010815 /nfs/dbraw/zinc/01/08/15/388010815.db2.gz VWYURFCRZVBWRD-ZDUSSCGKSA-N 2 2 234.343 2.018 20 0 BEADLP Cc1cccc(OCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400551087 388024396 /nfs/dbraw/zinc/02/43/96/388024396.db2.gz XQDPTGLIZZSVNV-DZGCQCFKSA-N 2 2 248.370 2.104 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423227526 388011725 /nfs/dbraw/zinc/01/17/25/388011725.db2.gz WDEGVPASWHGRDX-LBPRGKRZSA-N 2 2 224.735 2.136 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423227060 388011887 /nfs/dbraw/zinc/01/18/87/388011887.db2.gz UFWKZHHMXJKXMQ-CYBMUJFWSA-N 2 2 218.344 2.218 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423227296 388012182 /nfs/dbraw/zinc/01/21/82/388012182.db2.gz VEXWFZKMMXWYPL-WPRPVWTQSA-N 2 2 242.413 2.483 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423228532 388013541 /nfs/dbraw/zinc/01/35/41/388013541.db2.gz ZZYUOTYZMBTPRE-VIFPVBQESA-N 2 2 235.356 2.166 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230447 388015078 /nfs/dbraw/zinc/01/50/78/388015078.db2.gz DPBKQPIJLFOKDK-MNOVXSKESA-N 2 2 224.373 2.459 20 0 BEADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000453238889 388020213 /nfs/dbraw/zinc/02/02/13/388020213.db2.gz WPWGFMDOYYEBDA-KBPBESRZSA-N 2 2 249.402 2.333 20 0 BEADLP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400543182 388020697 /nfs/dbraw/zinc/02/06/97/388020697.db2.gz VIAWNGYVWCSGDJ-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCc2ccccc2CC1 ZINC000453237844 388020814 /nfs/dbraw/zinc/02/08/14/388020814.db2.gz VJVOKZQZTCVNIG-ZDUSSCGKSA-N 2 2 246.398 2.474 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C)c1cccc(C)c1 ZINC000423237391 388021392 /nfs/dbraw/zinc/02/13/92/388021392.db2.gz DDMCOXDRYHBVHZ-ZDUSSCGKSA-N 2 2 206.333 2.255 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423237471 388021462 /nfs/dbraw/zinc/02/14/62/388021462.db2.gz DJEDGKQIMMCRDF-CQSZACIVSA-N 2 2 248.370 2.227 20 0 BEADLP c1cncc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)c1 ZINC000423239580 388022481 /nfs/dbraw/zinc/02/24/81/388022481.db2.gz SHQZFLHBKXMQDA-CABCVRRESA-N 2 2 245.370 2.264 20 0 BEADLP CCC1CC([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423249651 388032267 /nfs/dbraw/zinc/03/22/67/388032267.db2.gz PEFADIHCYHGMRZ-UXUKBGGZSA-N 2 2 218.344 2.465 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000423251812 388033944 /nfs/dbraw/zinc/03/39/44/388033944.db2.gz WYNWLRYEQJIPMH-LBPRGKRZSA-N 2 2 236.359 2.345 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000423253725 388035970 /nfs/dbraw/zinc/03/59/70/388035970.db2.gz ZKMPVRQNVIHCEY-VIFPVBQESA-N 2 2 241.404 2.274 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423264975 388043288 /nfs/dbraw/zinc/04/32/88/388043288.db2.gz QJVWJBXPNDJLRI-GXTWGEPZSA-N 2 2 235.375 2.414 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)oc1C ZINC000423265517 388043595 /nfs/dbraw/zinc/04/35/95/388043595.db2.gz BCIXLXFAFIBFLS-CABZTGNLSA-N 2 2 222.332 2.284 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423243868 388028029 /nfs/dbraw/zinc/02/80/29/388028029.db2.gz KPQMHFFROZKXEZ-QMTHXVAHSA-N 2 2 236.334 2.258 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423245925 388028897 /nfs/dbraw/zinc/02/88/97/388028897.db2.gz MRAXBQPNUSISEN-AWEZNQCLSA-N 2 2 218.344 2.337 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](C1CC1)C1CCC1)C2 ZINC000453263336 388028919 /nfs/dbraw/zinc/02/89/19/388028919.db2.gz YTIAAMDLMMFHQI-SWLSCSKDSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)CC2 ZINC000453263336 388028922 /nfs/dbraw/zinc/02/89/22/388028922.db2.gz YTIAAMDLMMFHQI-SWLSCSKDSA-N 2 2 245.370 2.435 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423245100 388028965 /nfs/dbraw/zinc/02/89/65/388028965.db2.gz YDDJBZHARZKVLG-UWVGGRQHSA-N 2 2 240.372 2.159 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000423247388 388030334 /nfs/dbraw/zinc/03/03/34/388030334.db2.gz PAYOALCIYIQOOD-AWEZNQCLSA-N 2 2 236.334 2.476 20 0 BEADLP CCC1CC([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000423249650 388031252 /nfs/dbraw/zinc/03/12/52/388031252.db2.gz PEFADIHCYHGMRZ-UBHUBRDASA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(F)c1F ZINC000423272726 388053373 /nfs/dbraw/zinc/05/33/73/388053373.db2.gz IJTNEBXFDQJTLA-PRHODGIISA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423272784 388054045 /nfs/dbraw/zinc/05/40/45/388054045.db2.gz IOHYFPOVLZVZHA-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP [NH3+]C1CC[NH+](Cc2sccc2Cl)CC1 ZINC000261527737 135152062 /nfs/dbraw/zinc/15/20/62/135152062.db2.gz GNQIHFCLECCVRJ-UHFFFAOYSA-N 2 2 230.764 2.325 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(F)ccc1F ZINC000423280241 388061774 /nfs/dbraw/zinc/06/17/74/388061774.db2.gz SNXKHGGXOPKAMJ-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP Cc1ccc([C@H]([NH2+][C@H](C)C[NH3+])C2CCC2)o1 ZINC000423325504 388063621 /nfs/dbraw/zinc/06/36/21/388063621.db2.gz LNAKDYJGZDQPOD-NOZJJQNGSA-N 2 2 222.332 2.366 20 0 BEADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)[NH3+])cnn1C(C)C ZINC000423282232 388064946 /nfs/dbraw/zinc/06/49/46/388064946.db2.gz CNCITJGSQNJBTH-SNVBAGLBSA-N 2 2 238.379 2.160 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccco1 ZINC000423284009 388066676 /nfs/dbraw/zinc/06/66/76/388066676.db2.gz XXKBJDMRLOPGLS-MNOVXSKESA-N 2 2 210.321 2.304 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000440694377 388067141 /nfs/dbraw/zinc/06/71/41/388067141.db2.gz CNERIBHBCIVHFL-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000423285102 388068911 /nfs/dbraw/zinc/06/89/11/388068911.db2.gz YVVOUYQKUZVRQW-WCQYABFASA-N 2 2 238.379 2.098 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccncc1F ZINC000423294345 388076860 /nfs/dbraw/zinc/07/68/60/388076860.db2.gz UDNLJYDMCORXDB-JTQLQIEISA-N 2 2 239.338 2.389 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1nccs1 ZINC000423297376 388079877 /nfs/dbraw/zinc/07/98/77/388079877.db2.gz KARMTQVSAWGIKR-VHSXEESVSA-N 2 2 227.377 2.311 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423298352 388079979 /nfs/dbraw/zinc/07/99/79/388079979.db2.gz ODIGCBMZMNSSJX-PWSUYJOCSA-N 2 2 239.338 2.389 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453432752 388082147 /nfs/dbraw/zinc/08/21/47/388082147.db2.gz SGAKMQJZWPKWLO-PWSUYJOCSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453432752 388082149 /nfs/dbraw/zinc/08/21/49/388082149.db2.gz SGAKMQJZWPKWLO-PWSUYJOCSA-N 2 2 246.345 2.352 20 0 BEADLP C[N@H+](Cc1cccc(F)c1)C1(C[NH3+])CCC1 ZINC000086474939 388103494 /nfs/dbraw/zinc/10/34/94/388103494.db2.gz RNRXYTFCASRODC-UHFFFAOYSA-N 2 2 222.307 2.139 20 0 BEADLP C[N@@H+](Cc1cccc(F)c1)C1(C[NH3+])CCC1 ZINC000086474939 388103496 /nfs/dbraw/zinc/10/34/96/388103496.db2.gz RNRXYTFCASRODC-UHFFFAOYSA-N 2 2 222.307 2.139 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000086873170 388109074 /nfs/dbraw/zinc/10/90/74/388109074.db2.gz AEJRQHHOFVODRD-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCOCC1 ZINC000086873167 388109683 /nfs/dbraw/zinc/10/96/83/388109683.db2.gz AEJRQHHOFVODRD-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cn1 ZINC000423266885 388045279 /nfs/dbraw/zinc/04/52/79/388045279.db2.gz SOFBZNYEDBFPOT-ZYHUDNBSSA-N 2 2 239.338 2.245 20 0 BEADLP CCC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccn1 ZINC000423270242 388049185 /nfs/dbraw/zinc/04/91/85/388049185.db2.gz HXOWKOWKQBXLJK-STQMWFEESA-N 2 2 235.375 2.496 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000449355257 388180840 /nfs/dbraw/zinc/18/08/40/388180840.db2.gz XIFFKZJFDSJSDQ-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(F)F ZINC000449355257 388180842 /nfs/dbraw/zinc/18/08/42/388180842.db2.gz XIFFKZJFDSJSDQ-KOLCDFICSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000488474400 388182673 /nfs/dbraw/zinc/18/26/73/388182673.db2.gz ZMTJATRHQHTEME-VNQPRFMTSA-N 2 2 246.398 2.405 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000449089493 388140910 /nfs/dbraw/zinc/14/09/10/388140910.db2.gz KSUMSJKILRZZBU-BXUZGUMPSA-N 2 2 236.359 2.140 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(C)(F)C1 ZINC000449377431 388187059 /nfs/dbraw/zinc/18/70/59/388187059.db2.gz TYTHUMQQDGEHTG-UHFFFAOYSA-N 2 2 237.322 2.128 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165146136 388251441 /nfs/dbraw/zinc/25/14/41/388251441.db2.gz SIZWGJBMCGDMFN-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000489431736 388214165 /nfs/dbraw/zinc/21/41/65/388214165.db2.gz RSXWVGGZKRMIGA-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000489431736 388214166 /nfs/dbraw/zinc/21/41/66/388214166.db2.gz RSXWVGGZKRMIGA-NSHDSACASA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449487072 388216880 /nfs/dbraw/zinc/21/68/80/388216880.db2.gz WTYWOZQKGHWLTI-NRWUCQMLSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449487072 388216882 /nfs/dbraw/zinc/21/68/82/388216882.db2.gz WTYWOZQKGHWLTI-NRWUCQMLSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)[C@@H](C)O ZINC000449544456 388227990 /nfs/dbraw/zinc/22/79/90/388227990.db2.gz QOMFRFPIHGLWCT-OCCSQVGLSA-N 2 2 236.359 2.072 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459443929 388245102 /nfs/dbraw/zinc/24/51/02/388245102.db2.gz YTMQDFSZYXLFBU-JHJVBQTASA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459443929 388245104 /nfs/dbraw/zinc/24/51/04/388245104.db2.gz YTMQDFSZYXLFBU-JHJVBQTASA-N 2 2 235.375 2.329 20 0 BEADLP C[C@@]12C[N@H+](CCn3cc[nH+]c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369054 388266122 /nfs/dbraw/zinc/26/61/22/388266122.db2.gz NCPCYWKRRWTKMJ-BARDWOONSA-N 2 2 243.354 2.027 20 0 BEADLP C[C@@]12C[N@@H+](CCn3cc[nH+]c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369054 388266123 /nfs/dbraw/zinc/26/61/23/388266123.db2.gz NCPCYWKRRWTKMJ-BARDWOONSA-N 2 2 243.354 2.027 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1OC ZINC000233890078 388350228 /nfs/dbraw/zinc/35/02/28/388350228.db2.gz KONAMPUBVYMIMD-CMPLNLGQSA-N 2 2 222.332 2.083 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000234842589 388360937 /nfs/dbraw/zinc/36/09/37/388360937.db2.gz GSSXOGCWVQEMPE-MNOVXSKESA-N 2 2 222.332 2.001 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000235095373 388365241 /nfs/dbraw/zinc/36/52/41/388365241.db2.gz NAJHOUWOCXZKOB-NKWVEPMBSA-N 2 2 218.753 2.399 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000235462165 388369614 /nfs/dbraw/zinc/36/96/14/388369614.db2.gz NAJHOUWOCXZKOB-RNFRBKRXSA-N 2 2 218.753 2.399 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000235530605 388370615 /nfs/dbraw/zinc/37/06/15/388370615.db2.gz NHFXSDIDKPNQCY-QWRGUYRKSA-N 2 2 224.373 2.459 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCOC1(C)C ZINC000294855656 388405608 /nfs/dbraw/zinc/40/56/08/388405608.db2.gz SQUREWVCJPSVIB-ZDUSSCGKSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)[N@H+](C)C1CC1 ZINC000327827858 388391321 /nfs/dbraw/zinc/39/13/21/388391321.db2.gz AWIRMTQGRUVOMA-DGCLKSJQSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[NH2+]C[C@@]1(C)CCCS1)[N@@H+](C)C1CC1 ZINC000327827858 388391322 /nfs/dbraw/zinc/39/13/22/388391322.db2.gz AWIRMTQGRUVOMA-DGCLKSJQSA-N 2 2 242.432 2.344 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300788094 388394183 /nfs/dbraw/zinc/39/41/83/388394183.db2.gz BIUGLSWOCOWCEP-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300788094 388394184 /nfs/dbraw/zinc/39/41/84/388394184.db2.gz BIUGLSWOCOWCEP-QWRGUYRKSA-N 2 2 232.318 2.106 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)C1CCC1 ZINC000322738070 388444887 /nfs/dbraw/zinc/44/48/87/388444887.db2.gz XPDJBGPMJCRAOP-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCC2(C)C)CCSC1 ZINC000336674630 388462350 /nfs/dbraw/zinc/46/23/50/388462350.db2.gz AWXLNJYFMBWHDA-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336703123 388465188 /nfs/dbraw/zinc/46/51/88/388465188.db2.gz QIJWIZOSUYZRHM-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336703123 388465190 /nfs/dbraw/zinc/46/51/90/388465190.db2.gz QIJWIZOSUYZRHM-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000328535082 388418176 /nfs/dbraw/zinc/41/81/76/388418176.db2.gz ZWTIYYDVCQIWCA-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000328535082 388418178 /nfs/dbraw/zinc/41/81/78/388418178.db2.gz ZWTIYYDVCQIWCA-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccoc1 ZINC000166888852 388434170 /nfs/dbraw/zinc/43/41/70/388434170.db2.gz IILKKMAWGYTVHX-ZYHUDNBSSA-N 2 2 208.305 2.024 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccoc1 ZINC000166888852 388434172 /nfs/dbraw/zinc/43/41/72/388434172.db2.gz IILKKMAWGYTVHX-ZYHUDNBSSA-N 2 2 208.305 2.024 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC2(CC2)C1 ZINC000517167937 388540982 /nfs/dbraw/zinc/54/09/82/388540982.db2.gz BWIWOEABUQZIKQ-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC2(CC2)C1 ZINC000517167937 388540985 /nfs/dbraw/zinc/54/09/85/388540985.db2.gz BWIWOEABUQZIKQ-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2C)n1C ZINC000520839948 388543834 /nfs/dbraw/zinc/54/38/34/388543834.db2.gz XZGZZTVWDVNRDO-ZWNOBZJWSA-N 2 2 221.348 2.397 20 0 BEADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CC1(C)C ZINC000397617014 388484411 /nfs/dbraw/zinc/48/44/11/388484411.db2.gz CTOIFJDLKFIHDY-STQMWFEESA-N 2 2 235.375 2.377 20 0 BEADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397665608 388488883 /nfs/dbraw/zinc/48/88/83/388488883.db2.gz PACUPNNQXXEOFE-NWDGAFQWSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C[C@@H]1C ZINC000397751301 388496046 /nfs/dbraw/zinc/49/60/46/388496046.db2.gz DPSGSBROKQMBEZ-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CC2)C[C@@H]1C ZINC000397751300 388496466 /nfs/dbraw/zinc/49/64/66/388496466.db2.gz DPSGSBROKQMBEZ-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397785058 388498956 /nfs/dbraw/zinc/49/89/56/388498956.db2.gz YBYLMVHLSJGKLW-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)[C@@H]1C ZINC000397793149 388499801 /nfs/dbraw/zinc/49/98/01/388499801.db2.gz SKINEQUNTVUQKZ-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000397843128 388505163 /nfs/dbraw/zinc/50/51/63/388505163.db2.gz HCCRXGBSSGBIIJ-LBPRGKRZSA-N 2 2 208.349 2.027 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000397873771 388507888 /nfs/dbraw/zinc/50/78/88/388507888.db2.gz GTUOEYHDAXQDFA-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000397873773 388508124 /nfs/dbraw/zinc/50/81/24/388508124.db2.gz GTUOEYHDAXQDFA-VXGBXAGGSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000398005412 388514707 /nfs/dbraw/zinc/51/47/07/388514707.db2.gz VLMNJEGVWAQHMD-CYBMUJFWSA-N 2 2 232.371 2.474 20 0 BEADLP C/C(Cl)=C\C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000528385075 388519610 /nfs/dbraw/zinc/51/96/10/388519610.db2.gz ZLBNIHSGAZFCNK-LLMHMKPQSA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000528385075 388519611 /nfs/dbraw/zinc/51/96/11/388519611.db2.gz ZLBNIHSGAZFCNK-LLMHMKPQSA-N 2 2 216.756 2.013 20 0 BEADLP C/C(Cl)=C/C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000528508129 388536490 /nfs/dbraw/zinc/53/64/90/388536490.db2.gz LQTDRZCBVWQJKI-JUYDSFNJSA-N 2 2 228.767 2.298 20 0 BEADLP C/C(Cl)=C/C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000528508129 388536493 /nfs/dbraw/zinc/53/64/93/388536493.db2.gz LQTDRZCBVWQJKI-JUYDSFNJSA-N 2 2 228.767 2.298 20 0 BEADLP C/C(Cl)=C/C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000528508129 388536496 /nfs/dbraw/zinc/53/64/96/388536496.db2.gz LQTDRZCBVWQJKI-JUYDSFNJSA-N 2 2 228.767 2.298 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000528508129 388536498 /nfs/dbraw/zinc/53/64/98/388536498.db2.gz LQTDRZCBVWQJKI-JUYDSFNJSA-N 2 2 228.767 2.298 20 0 BEADLP CO[C@@H](C[N@H+](C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173185 388594836 /nfs/dbraw/zinc/59/48/36/388594836.db2.gz DVCTYFSWQIJUBA-GJZGRUSLSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@@H](C[N@@H+](C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173185 388594838 /nfs/dbraw/zinc/59/48/38/388594838.db2.gz DVCTYFSWQIJUBA-GJZGRUSLSA-N 2 2 248.370 2.043 20 0 BEADLP CCc1[nH+]ccn1Cc1cc[nH+]cc1C ZINC000530108049 388609563 /nfs/dbraw/zinc/60/95/63/388609563.db2.gz JUDOPBKRNHXUNA-UHFFFAOYSA-N 2 2 201.273 2.197 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884832 388567853 /nfs/dbraw/zinc/56/78/53/388567853.db2.gz IWAJLQOTMUQCDD-OBRUSBNWSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884832 388567856 /nfs/dbraw/zinc/56/78/56/388567856.db2.gz IWAJLQOTMUQCDD-OBRUSBNWSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884833 388567984 /nfs/dbraw/zinc/56/79/84/388567984.db2.gz IWAJLQOTMUQCDD-QFCKPIOYSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884833 388567986 /nfs/dbraw/zinc/56/79/86/388567986.db2.gz IWAJLQOTMUQCDD-QFCKPIOYSA-N 2 2 234.387 2.247 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248050782 388672815 /nfs/dbraw/zinc/67/28/15/388672815.db2.gz WERYJVRWQPCVCZ-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248050782 388672816 /nfs/dbraw/zinc/67/28/16/388672816.db2.gz WERYJVRWQPCVCZ-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000125638868 388673430 /nfs/dbraw/zinc/67/34/30/388673430.db2.gz KZHQPCWENCANPN-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000522011386 388674744 /nfs/dbraw/zinc/67/47/44/388674744.db2.gz LRYQCBRPKBSBRR-AWEZNQCLSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000522011386 388674746 /nfs/dbraw/zinc/67/47/46/388674746.db2.gz LRYQCBRPKBSBRR-AWEZNQCLSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000522011389 388675175 /nfs/dbraw/zinc/67/51/75/388675175.db2.gz LRYQCBRPKBSBRR-CQSZACIVSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000522011389 388675178 /nfs/dbraw/zinc/67/51/78/388675178.db2.gz LRYQCBRPKBSBRR-CQSZACIVSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530176638 388619999 /nfs/dbraw/zinc/61/99/99/388619999.db2.gz DTERREZDRPNNPS-CQSZACIVSA-N 2 2 230.355 2.369 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154515402 388625063 /nfs/dbraw/zinc/62/50/63/388625063.db2.gz FLGDCWFQDWPZMZ-DGCLKSJQSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154515402 388625065 /nfs/dbraw/zinc/62/50/65/388625065.db2.gz FLGDCWFQDWPZMZ-DGCLKSJQSA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccoc1 ZINC000530226322 388635985 /nfs/dbraw/zinc/63/59/85/388635985.db2.gz ZRQDZYMEQXUDKY-PWSUYJOCSA-N 2 2 220.316 2.215 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000252461849 388652271 /nfs/dbraw/zinc/65/22/71/388652271.db2.gz ZABWVWAMFNNNHN-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000252461849 388652274 /nfs/dbraw/zinc/65/22/74/388652274.db2.gz ZABWVWAMFNNNHN-UONOGXRCSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000246866876 388653783 /nfs/dbraw/zinc/65/37/83/388653783.db2.gz DEPNTWHKSLPEBR-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000246866876 388653785 /nfs/dbraw/zinc/65/37/85/388653785.db2.gz DEPNTWHKSLPEBR-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000246866887 388653817 /nfs/dbraw/zinc/65/38/17/388653817.db2.gz DEPNTWHKSLPEBR-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000246866887 388653819 /nfs/dbraw/zinc/65/38/19/388653819.db2.gz DEPNTWHKSLPEBR-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246928517 388654723 /nfs/dbraw/zinc/65/47/23/388654723.db2.gz HAIGMDIEUMRNPE-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000246928517 388654724 /nfs/dbraw/zinc/65/47/24/388654724.db2.gz HAIGMDIEUMRNPE-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000247093490 388659067 /nfs/dbraw/zinc/65/90/67/388659067.db2.gz PNBXBKBHDRNGRS-WFASDCNBSA-N 2 2 247.386 2.210 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000247093490 388659069 /nfs/dbraw/zinc/65/90/69/388659069.db2.gz PNBXBKBHDRNGRS-WFASDCNBSA-N 2 2 247.386 2.210 20 0 BEADLP COc1ccc[nH+]c1NC[C@@H](C)C[NH+]1CCCC1 ZINC000128037865 388736688 /nfs/dbraw/zinc/73/66/88/388736688.db2.gz OQEMXWDTKICMGO-GFCCVEGCSA-N 2 2 249.358 2.234 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000226314367 388714520 /nfs/dbraw/zinc/71/45/20/388714520.db2.gz LEHTUHABDJHUIY-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000226314367 388714522 /nfs/dbraw/zinc/71/45/22/388714522.db2.gz LEHTUHABDJHUIY-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+](C)C1CC1 ZINC000322207089 388796949 /nfs/dbraw/zinc/79/69/49/388796949.db2.gz SNGQIXXUINETIA-DCQANWLSSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+](C)C1CC1 ZINC000322207089 388796951 /nfs/dbraw/zinc/79/69/51/388796951.db2.gz SNGQIXXUINETIA-DCQANWLSSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000540181695 388797768 /nfs/dbraw/zinc/79/77/68/388797768.db2.gz RMLZBNGNYNZTCS-KMUNFCNLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000540181695 388797770 /nfs/dbraw/zinc/79/77/70/388797770.db2.gz RMLZBNGNYNZTCS-KMUNFCNLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000227956483 388762509 /nfs/dbraw/zinc/76/25/09/388762509.db2.gz KMSCIOWUCRMHPJ-FVCCEPFGSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000227956483 388762513 /nfs/dbraw/zinc/76/25/13/388762513.db2.gz KMSCIOWUCRMHPJ-FVCCEPFGSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252713560 388774629 /nfs/dbraw/zinc/77/46/29/388774629.db2.gz PNDDAGVYORALHA-NTZNESFSSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252713560 388774633 /nfs/dbraw/zinc/77/46/33/388774633.db2.gz PNDDAGVYORALHA-NTZNESFSSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000129577200 388852708 /nfs/dbraw/zinc/85/27/08/388852708.db2.gz NWJLUZPOQNNUMA-RWMBFGLXSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccn1 ZINC000129577200 388852710 /nfs/dbraw/zinc/85/27/10/388852710.db2.gz NWJLUZPOQNNUMA-RWMBFGLXSA-N 2 2 233.359 2.215 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641661 388860991 /nfs/dbraw/zinc/86/09/91/388860991.db2.gz FARJHCOGGFRNPB-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000229641661 388860995 /nfs/dbraw/zinc/86/09/95/388860995.db2.gz FARJHCOGGFRNPB-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000556045333 388865037 /nfs/dbraw/zinc/86/50/37/388865037.db2.gz VWROGHFBCCEWGY-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000556045333 388865038 /nfs/dbraw/zinc/86/50/38/388865038.db2.gz VWROGHFBCCEWGY-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644888 388846290 /nfs/dbraw/zinc/84/62/90/388846290.db2.gz MLQYUQGDLANSLB-DOMZBBRYSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644888 388846296 /nfs/dbraw/zinc/84/62/96/388846296.db2.gz MLQYUQGDLANSLB-DOMZBBRYSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644888 388846303 /nfs/dbraw/zinc/84/63/03/388846303.db2.gz MLQYUQGDLANSLB-DOMZBBRYSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644888 388846309 /nfs/dbraw/zinc/84/63/09/388846309.db2.gz MLQYUQGDLANSLB-DOMZBBRYSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CC23CCCC3)n1C ZINC000565238274 388931199 /nfs/dbraw/zinc/93/11/99/388931199.db2.gz OSNLWILMQXPJOQ-LBPRGKRZSA-N 2 2 219.332 2.151 20 0 BEADLP C[NH2+]CCSCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000565772732 388969238 /nfs/dbraw/zinc/96/92/38/388969238.db2.gz NQWZQTPLYLUHLN-UHFFFAOYSA-N 2 2 235.356 2.324 20 0 BEADLP C[NH2+]CCSCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000565772732 388969234 /nfs/dbraw/zinc/96/92/34/388969234.db2.gz NQWZQTPLYLUHLN-UHFFFAOYSA-N 2 2 235.356 2.324 20 0 BEADLP CC(C)SCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566047529 388985034 /nfs/dbraw/zinc/98/50/34/388985034.db2.gz QRQJNQGLQBMHCI-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566047529 388985036 /nfs/dbraw/zinc/98/50/36/388985036.db2.gz QRQJNQGLQBMHCI-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566047529 388985041 /nfs/dbraw/zinc/98/50/41/388985041.db2.gz QRQJNQGLQBMHCI-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566047529 388985039 /nfs/dbraw/zinc/98/50/39/388985039.db2.gz QRQJNQGLQBMHCI-QWHCGFSZSA-N 2 2 242.432 2.297 20 0 BEADLP C[N@H+]1CC=C(CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000273708953 389042680 /nfs/dbraw/zinc/04/26/80/389042680.db2.gz DXMPIHAVFJDNJQ-UHFFFAOYSA-N 2 2 242.326 2.237 20 0 BEADLP C[N@@H+]1CC=C(CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000273708953 389042685 /nfs/dbraw/zinc/04/26/85/389042685.db2.gz DXMPIHAVFJDNJQ-UHFFFAOYSA-N 2 2 242.326 2.237 20 0 BEADLP CC(C)CCC[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000338445597 166817677 /nfs/dbraw/zinc/81/76/77/166817677.db2.gz MIVOWRCUIPCRJT-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340593464 132222077 /nfs/dbraw/zinc/22/20/77/132222077.db2.gz AWOKDOZWIAHYAV-UHFFFAOYSA-N 2 2 233.359 2.312 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124896747 132228561 /nfs/dbraw/zinc/22/85/61/132228561.db2.gz PTIGLVRZJJSXEW-CHWSQXEVSA-N 2 2 245.370 2.296 20 0 BEADLP CC[N@@H+]1C[C@H](C)N(c2cccc(C)[nH+]2)C[C@H]1C ZINC000354813140 132270371 /nfs/dbraw/zinc/27/03/71/132270371.db2.gz BIPICQHRYPCVTN-OLZOCXBDSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@H](C)N(c2cccc(C)[nH+]2)C[C@H]1C ZINC000354813140 132270372 /nfs/dbraw/zinc/27/03/72/132270372.db2.gz BIPICQHRYPCVTN-OLZOCXBDSA-N 2 2 233.359 2.309 20 0 BEADLP CC[NH+]1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000357337442 132273412 /nfs/dbraw/zinc/27/34/12/132273412.db2.gz ODHHXIAPVOZBEV-UHFFFAOYSA-N 2 2 239.750 2.185 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000334289516 132296183 /nfs/dbraw/zinc/29/61/83/132296183.db2.gz BDSQTSGTZVVCKD-OCCSQVGLSA-N 2 2 245.370 2.439 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335497430 133867375 /nfs/dbraw/zinc/86/73/75/133867375.db2.gz YBAOKKUXFYKTGN-YPMHNXCESA-N 2 2 234.343 2.389 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]CC1CCCCC1)C2 ZINC000336005199 134048781 /nfs/dbraw/zinc/04/87/81/134048781.db2.gz XZGLGUPQYKWNEV-GFCCVEGCSA-N 2 2 233.359 2.437 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]CC1CCCCC1)CC2 ZINC000336005199 134048782 /nfs/dbraw/zinc/04/87/82/134048782.db2.gz XZGLGUPQYKWNEV-GFCCVEGCSA-N 2 2 233.359 2.437 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000336103181 134084259 /nfs/dbraw/zinc/08/42/59/134084259.db2.gz OFVLDTQVIFEPHB-OLZOCXBDSA-N 2 2 231.343 2.144 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000336126862 134093467 /nfs/dbraw/zinc/09/34/67/134093467.db2.gz VBRRXSFEFMBQSL-AWEZNQCLSA-N 2 2 234.318 2.108 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC000336126862 134093468 /nfs/dbraw/zinc/09/34/68/134093468.db2.gz VBRRXSFEFMBQSL-AWEZNQCLSA-N 2 2 234.318 2.108 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2)C1 ZINC000168667445 134240657 /nfs/dbraw/zinc/24/06/57/134240657.db2.gz SSIFABXHDUVQNW-LRVUVFPRSA-N 2 2 232.371 2.472 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811258 134291976 /nfs/dbraw/zinc/29/19/76/134291976.db2.gz RDXOCEGSZLFGKT-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811258 134291977 /nfs/dbraw/zinc/29/19/77/134291977.db2.gz RDXOCEGSZLFGKT-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000221672387 134325747 /nfs/dbraw/zinc/32/57/47/134325747.db2.gz SRLIAXABVISXIZ-HZSPNIEDSA-N 2 2 224.392 2.497 20 0 BEADLP CC1CC[NH+](CC[NH2+]C[C@@H]2CCSC2)CC1 ZINC000224398538 134346569 /nfs/dbraw/zinc/34/65/69/134346569.db2.gz CVFMVEOLKULVOY-ZDUSSCGKSA-N 2 2 242.432 2.061 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000130097208 134616168 /nfs/dbraw/zinc/61/61/68/134616168.db2.gz MRKIGKFAPOWUDZ-NWDGAFQWSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000248438056 135009843 /nfs/dbraw/zinc/00/98/43/135009843.db2.gz SVGLFKIKEKXMTQ-RDBSUJKOSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000248438056 135009845 /nfs/dbraw/zinc/00/98/45/135009845.db2.gz SVGLFKIKEKXMTQ-RDBSUJKOSA-N 2 2 233.359 2.394 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248727750 135020533 /nfs/dbraw/zinc/02/05/33/135020533.db2.gz CWUPJPBVOZIXOA-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248727750 135020535 /nfs/dbraw/zinc/02/05/35/135020535.db2.gz CWUPJPBVOZIXOA-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000248754027 135020539 /nfs/dbraw/zinc/02/05/39/135020539.db2.gz CMKPQSAMIDOCSL-AAEUAGOBSA-N 2 2 234.343 2.341 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000248754027 135020541 /nfs/dbraw/zinc/02/05/41/135020541.db2.gz CMKPQSAMIDOCSL-AAEUAGOBSA-N 2 2 234.343 2.341 20 0 BEADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248884781 135024479 /nfs/dbraw/zinc/02/44/79/135024479.db2.gz DRRNHVXNWKPDEF-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248884781 135024481 /nfs/dbraw/zinc/02/44/81/135024481.db2.gz DRRNHVXNWKPDEF-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248884781 135024482 /nfs/dbraw/zinc/02/44/82/135024482.db2.gz DRRNHVXNWKPDEF-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248884781 135024484 /nfs/dbraw/zinc/02/44/84/135024484.db2.gz DRRNHVXNWKPDEF-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249747291 135044609 /nfs/dbraw/zinc/04/46/09/135044609.db2.gz OKRFTXZTUWJOGG-ITGUQSILSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249747291 135044611 /nfs/dbraw/zinc/04/46/11/135044611.db2.gz OKRFTXZTUWJOGG-ITGUQSILSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000251954754 135081324 /nfs/dbraw/zinc/08/13/24/135081324.db2.gz UYQLWLFTLKUCGW-TUAOUCFPSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000251954754 135081325 /nfs/dbraw/zinc/08/13/25/135081325.db2.gz UYQLWLFTLKUCGW-TUAOUCFPSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000252113207 135083964 /nfs/dbraw/zinc/08/39/64/135083964.db2.gz IBVQSDZFXLSRHA-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000252113207 135083965 /nfs/dbraw/zinc/08/39/65/135083965.db2.gz IBVQSDZFXLSRHA-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000251825932 135094324 /nfs/dbraw/zinc/09/43/24/135094324.db2.gz NCZOFTCWJOIWLV-FDYHWXHSSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000086729306 135096044 /nfs/dbraw/zinc/09/60/44/135096044.db2.gz PKQKOOQFJSYBNY-NXEZZACHSA-N 2 2 210.346 2.069 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000086729307 135096101 /nfs/dbraw/zinc/09/61/01/135096101.db2.gz PKQKOOQFJSYBNY-VHSXEESVSA-N 2 2 210.346 2.069 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673190 135096166 /nfs/dbraw/zinc/09/61/66/135096166.db2.gz HDZCSLGEVUXOIA-OLZOCXBDSA-N 2 2 249.358 2.008 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673190 135096167 /nfs/dbraw/zinc/09/61/67/135096167.db2.gz HDZCSLGEVUXOIA-OLZOCXBDSA-N 2 2 249.358 2.008 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC1(C)C ZINC000086855839 135098573 /nfs/dbraw/zinc/09/85/73/135098573.db2.gz UXVMIRMLFQRSMU-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1C[C@H]1C ZINC000252799945 135110723 /nfs/dbraw/zinc/11/07/23/135110723.db2.gz UXGODBIEMCLOKJ-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000253079460 135120071 /nfs/dbraw/zinc/12/00/71/135120071.db2.gz UQAZTKASZSXQCB-TUAOUCFPSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000253079460 135120072 /nfs/dbraw/zinc/12/00/72/135120072.db2.gz UQAZTKASZSXQCB-TUAOUCFPSA-N 2 2 230.421 2.186 20 0 BEADLP CC[N@H+](C)CC[NH2+]CCC1CCCCC1 ZINC000087473405 135143000 /nfs/dbraw/zinc/14/30/00/135143000.db2.gz CRDSZICLKQUOBL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CCC1CCCCC1 ZINC000087473405 135143001 /nfs/dbraw/zinc/14/30/01/135143001.db2.gz CRDSZICLKQUOBL-UHFFFAOYSA-N 2 2 212.381 2.498 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(C)o1 ZINC000261530279 135157384 /nfs/dbraw/zinc/15/73/84/135157384.db2.gz CEZNRQUBLZMYRY-AEJSXWLSSA-N 2 2 210.321 2.283 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](C)[NH3+] ZINC000261530178 135157439 /nfs/dbraw/zinc/15/74/39/135157439.db2.gz XSCALPMSQODPHZ-DTWKUNHWSA-N 2 2 212.724 2.165 20 0 BEADLP C[N@@H+]1CCC[C@@H]2CN(c3cccc[nH+]3)CC[C@H]21 ZINC000268873187 135162232 /nfs/dbraw/zinc/16/22/32/135162232.db2.gz UULLLYMBMIJHFQ-CHWSQXEVSA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CCC[C@@H]2CN(c3cccc[nH+]3)CC[C@H]21 ZINC000268873187 135162233 /nfs/dbraw/zinc/16/22/33/135162233.db2.gz UULLLYMBMIJHFQ-CHWSQXEVSA-N 2 2 231.343 2.002 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000261533561 135164866 /nfs/dbraw/zinc/16/48/66/135164866.db2.gz KXSFBCHGIRHSGA-ZJUUUORDSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000261533561 135164867 /nfs/dbraw/zinc/16/48/67/135164867.db2.gz KXSFBCHGIRHSGA-ZJUUUORDSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@@H]1C[N@H+](CCSc2ccccc2)C[C@H]1[NH3+] ZINC000261534809 135167645 /nfs/dbraw/zinc/16/76/45/135167645.db2.gz UKILRKHRNQTZIN-DGCLKSJQSA-N 2 2 236.384 2.058 20 0 BEADLP C[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1[NH3+] ZINC000261534809 135167646 /nfs/dbraw/zinc/16/76/46/135167646.db2.gz UKILRKHRNQTZIN-DGCLKSJQSA-N 2 2 236.384 2.058 20 0 BEADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+])s1 ZINC000261538627 135176603 /nfs/dbraw/zinc/17/66/03/135176603.db2.gz YTHFVEIEZPMRND-VXNVDRBHSA-N 2 2 227.377 2.100 20 0 BEADLP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)[NH3+])s1 ZINC000261538627 135176605 /nfs/dbraw/zinc/17/66/05/135176605.db2.gz YTHFVEIEZPMRND-VXNVDRBHSA-N 2 2 227.377 2.100 20 0 BEADLP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](C)[NH3+])s1 ZINC000261538625 135176714 /nfs/dbraw/zinc/17/67/14/135176714.db2.gz YTHFVEIEZPMRND-CBAPKCEASA-N 2 2 227.377 2.100 20 0 BEADLP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](C)[NH3+])s1 ZINC000261538625 135176715 /nfs/dbraw/zinc/17/67/15/135176715.db2.gz YTHFVEIEZPMRND-CBAPKCEASA-N 2 2 227.377 2.100 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000261540649 135180335 /nfs/dbraw/zinc/18/03/35/135180335.db2.gz GWTNWVVODVGPJG-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000261540649 135180337 /nfs/dbraw/zinc/18/03/37/135180337.db2.gz GWTNWVVODVGPJG-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP COc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261544442 135185379 /nfs/dbraw/zinc/18/53/79/135185379.db2.gz YCVVVNPJYCZJLU-UHIISALHSA-N 2 2 234.343 2.035 20 0 BEADLP COc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261544442 135185380 /nfs/dbraw/zinc/18/53/80/135185380.db2.gz YCVVVNPJYCZJLU-UHIISALHSA-N 2 2 234.343 2.035 20 0 BEADLP Cc1ncsc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000084149537 135188000 /nfs/dbraw/zinc/18/80/00/135188000.db2.gz PRBUBWTUBUPDTO-ONGXEEELSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000084149537 135188001 /nfs/dbraw/zinc/18/80/01/135188001.db2.gz PRBUBWTUBUPDTO-ONGXEEELSA-N 2 2 239.388 2.011 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2cccnc21 ZINC000261553043 135191640 /nfs/dbraw/zinc/19/16/40/135191640.db2.gz AALPSZMJGXCLCL-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000261553043 135191641 /nfs/dbraw/zinc/19/16/41/135191641.db2.gz AALPSZMJGXCLCL-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261553636 135192962 /nfs/dbraw/zinc/19/29/62/135192962.db2.gz AJOMBNPDRSKZPX-WFASDCNBSA-N 2 2 248.345 2.318 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261553636 135192963 /nfs/dbraw/zinc/19/29/63/135192963.db2.gz AJOMBNPDRSKZPX-WFASDCNBSA-N 2 2 248.345 2.318 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000261558864 135199788 /nfs/dbraw/zinc/19/97/88/135199788.db2.gz SUIRFAXHGTYVFR-ABAIWWIYSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000261558864 135199789 /nfs/dbraw/zinc/19/97/89/135199789.db2.gz SUIRFAXHGTYVFR-ABAIWWIYSA-N 2 2 230.355 2.486 20 0 BEADLP Fc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562054 135203945 /nfs/dbraw/zinc/20/39/45/135203945.db2.gz VYZREHNXPKPQSN-JSGCOSHPSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562054 135203946 /nfs/dbraw/zinc/20/39/46/135203946.db2.gz VYZREHNXPKPQSN-JSGCOSHPSA-N 2 2 234.318 2.010 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2o1 ZINC000261566172 135209025 /nfs/dbraw/zinc/20/90/25/135209025.db2.gz YSHLUTDYJQVMQJ-GWCFXTLKSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2o1 ZINC000261566172 135209026 /nfs/dbraw/zinc/20/90/26/135209026.db2.gz YSHLUTDYJQVMQJ-GWCFXTLKSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)ccc1F ZINC000261567760 135209166 /nfs/dbraw/zinc/20/91/66/135209166.db2.gz FBHWXKCFERDPSA-QMMMGPOBSA-N 2 2 228.286 2.353 20 0 BEADLP CC[N@H+](C)CC[NH2+]CC1CCC(C)CC1 ZINC000084339429 135210122 /nfs/dbraw/zinc/21/01/22/135210122.db2.gz OBKXFTZDXVDPSB-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CC1CCC(C)CC1 ZINC000084339429 135210124 /nfs/dbraw/zinc/21/01/24/135210124.db2.gz OBKXFTZDXVDPSB-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP COc1ccc([C@H](C)[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261568112 135210147 /nfs/dbraw/zinc/21/01/47/135210147.db2.gz FINKKVILBBAHEC-QWRGUYRKSA-N 2 2 222.332 2.035 20 0 BEADLP COc1ccc([C@H](C)[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000261568112 135210148 /nfs/dbraw/zinc/21/01/48/135210148.db2.gz FINKKVILBBAHEC-QWRGUYRKSA-N 2 2 222.332 2.035 20 0 BEADLP COc1ccc([C@@H](C)[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261568110 135210426 /nfs/dbraw/zinc/21/04/26/135210426.db2.gz FINKKVILBBAHEC-GHMZBOCLSA-N 2 2 222.332 2.035 20 0 BEADLP COc1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000261568110 135210427 /nfs/dbraw/zinc/21/04/27/135210427.db2.gz FINKKVILBBAHEC-GHMZBOCLSA-N 2 2 222.332 2.035 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000164138295 135213129 /nfs/dbraw/zinc/21/31/29/135213129.db2.gz NCEXBMVIAUASGD-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000164138295 135213131 /nfs/dbraw/zinc/21/31/31/135213131.db2.gz NCEXBMVIAUASGD-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000261576836 135218520 /nfs/dbraw/zinc/21/85/20/135218520.db2.gz KPUQEUXKIZDHOS-LLVKDONJSA-N 2 2 228.405 2.085 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCSC2(CCCCC2)C1 ZINC000261576836 135218521 /nfs/dbraw/zinc/21/85/21/135218521.db2.gz KPUQEUXKIZDHOS-LLVKDONJSA-N 2 2 228.405 2.085 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000261583087 135224585 /nfs/dbraw/zinc/22/45/85/135224585.db2.gz OWNLIAIBOUQSTH-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000261583087 135224586 /nfs/dbraw/zinc/22/45/86/135224586.db2.gz OWNLIAIBOUQSTH-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH3+])[C@@H]1c1cccc(F)c1 ZINC000261584849 135225820 /nfs/dbraw/zinc/22/58/20/135225820.db2.gz QBOWOIXQRZSSBB-MFKMUULPSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH3+])[C@@H]1c1cccc(F)c1 ZINC000261584849 135225821 /nfs/dbraw/zinc/22/58/21/135225821.db2.gz QBOWOIXQRZSSBB-MFKMUULPSA-N 2 2 222.307 2.167 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000261585750 135227168 /nfs/dbraw/zinc/22/71/68/135227168.db2.gz QPAPCVJQQVLTPI-MXWKQRLJSA-N 2 2 222.332 2.082 20 0 BEADLP [NH3+]CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000261588878 135229304 /nfs/dbraw/zinc/22/93/04/135229304.db2.gz SSEIDVSQLIMENN-CQSZACIVSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+]CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000261588878 135229305 /nfs/dbraw/zinc/22/93/05/135229305.db2.gz SSEIDVSQLIMENN-CQSZACIVSA-N 2 2 216.328 2.097 20 0 BEADLP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1[NH3+] ZINC000261546097 135238642 /nfs/dbraw/zinc/23/86/42/135238642.db2.gz NGXORWXWSCTMFG-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1[NH3+] ZINC000261546097 135238644 /nfs/dbraw/zinc/23/86/44/135238644.db2.gz NGXORWXWSCTMFG-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789410 135253753 /nfs/dbraw/zinc/25/37/53/135253753.db2.gz GAIFEPZHGXNFBZ-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789410 135253755 /nfs/dbraw/zinc/25/37/55/135253755.db2.gz GAIFEPZHGXNFBZ-STQMWFEESA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789371 135253901 /nfs/dbraw/zinc/25/39/01/135253901.db2.gz GAIFEPZHGXNFBZ-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000261789371 135253902 /nfs/dbraw/zinc/25/39/02/135253902.db2.gz GAIFEPZHGXNFBZ-OLZOCXBDSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817309 135255490 /nfs/dbraw/zinc/25/54/90/135255490.db2.gz ICSSVJWASJETBJ-MFKMUULPSA-N 2 2 238.762 2.477 20 0 BEADLP C[C@H](C[N@H+]1CC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817309 135255492 /nfs/dbraw/zinc/25/54/92/135255492.db2.gz ICSSVJWASJETBJ-MFKMUULPSA-N 2 2 238.762 2.477 20 0 BEADLP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261964079 135266783 /nfs/dbraw/zinc/26/67/83/135266783.db2.gz HOEVBLRMYFBDPR-YGRLFVJLSA-N 2 2 236.334 2.167 20 0 BEADLP CCc1cccc(F)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261964079 135266785 /nfs/dbraw/zinc/26/67/85/135266785.db2.gz HOEVBLRMYFBDPR-YGRLFVJLSA-N 2 2 236.334 2.167 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000262991613 135325523 /nfs/dbraw/zinc/32/55/23/135325523.db2.gz NVUYQLNYJCDEQC-GFCCVEGCSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000262991613 135325525 /nfs/dbraw/zinc/32/55/25/135325525.db2.gz NVUYQLNYJCDEQC-GFCCVEGCSA-N 2 2 238.762 2.306 20 0 BEADLP [NH3+]CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000263076572 135331266 /nfs/dbraw/zinc/33/12/66/135331266.db2.gz XDEQIPYWQLXLMH-LBPRGKRZSA-N 2 2 236.384 2.059 20 0 BEADLP [NH3+]CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000263076572 135331267 /nfs/dbraw/zinc/33/12/67/135331267.db2.gz XDEQIPYWQLXLMH-LBPRGKRZSA-N 2 2 236.384 2.059 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263223054 135340485 /nfs/dbraw/zinc/34/04/85/135340485.db2.gz MFNFTQPTASDGLX-FZMZJTMJSA-N 2 2 247.342 2.236 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263223055 135340645 /nfs/dbraw/zinc/34/06/45/135340645.db2.gz MFNFTQPTASDGLX-RISCZKNCSA-N 2 2 247.342 2.236 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158827 135363708 /nfs/dbraw/zinc/36/37/08/135363708.db2.gz IZYXWVWPLFUHBG-HIFRSBDPSA-N 2 2 244.382 2.258 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158827 135363709 /nfs/dbraw/zinc/36/37/09/135363709.db2.gz IZYXWVWPLFUHBG-HIFRSBDPSA-N 2 2 244.382 2.258 20 0 BEADLP C[C@@H]1CCN(c2cccc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000268230014 135363816 /nfs/dbraw/zinc/36/38/16/135363816.db2.gz FNCKMIASIUHESB-CHWSQXEVSA-N 2 2 242.326 2.366 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299916232 135381998 /nfs/dbraw/zinc/38/19/98/135381998.db2.gz HDVBUHSGRUAXCF-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000299916232 135382000 /nfs/dbraw/zinc/38/20/00/135382000.db2.gz HDVBUHSGRUAXCF-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CC2)C1)[NH+](C)C ZINC000081636828 135388756 /nfs/dbraw/zinc/38/87/56/135388756.db2.gz AKUZKVMUHNULSH-XBFCOCLRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000232780371 135671021 /nfs/dbraw/zinc/67/10/21/135671021.db2.gz CRLKMPNVWXALNT-CHWSQXEVSA-N 2 2 242.407 2.025 20 0 BEADLP c1cnc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2c1 ZINC000334848839 135822242 /nfs/dbraw/zinc/82/22/42/135822242.db2.gz LOYPEEVOVFLFBZ-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334861764 135826201 /nfs/dbraw/zinc/82/62/01/135826201.db2.gz GYMASLXZKMRNPQ-RNCFNFMXSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000334863244 135826930 /nfs/dbraw/zinc/82/69/30/135826930.db2.gz LWCUYTWXUDDNLO-WPRPVWTQSA-N 2 2 244.791 2.489 20 0 BEADLP Cc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)n1 ZINC000346647901 135948762 /nfs/dbraw/zinc/94/87/62/135948762.db2.gz SJMVCGKTPDSBPL-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000347735550 136004694 /nfs/dbraw/zinc/00/46/94/136004694.db2.gz RNTGBXSXUBNYLQ-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000347735550 136004695 /nfs/dbraw/zinc/00/46/95/136004695.db2.gz RNTGBXSXUBNYLQ-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347769792 136008651 /nfs/dbraw/zinc/00/86/51/136008651.db2.gz HUTJQQALAJXTSH-SNVBAGLBSA-N 2 2 239.388 2.189 20 0 BEADLP C[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347769792 136008652 /nfs/dbraw/zinc/00/86/52/136008652.db2.gz HUTJQQALAJXTSH-SNVBAGLBSA-N 2 2 239.388 2.189 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cc[nH]n1 ZINC000347803103 136013356 /nfs/dbraw/zinc/01/33/56/136013356.db2.gz FBBOMHKDLFMJRS-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cc[nH]n1 ZINC000347803103 136013357 /nfs/dbraw/zinc/01/33/57/136013357.db2.gz FBBOMHKDLFMJRS-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)s1 ZINC000335308118 136027586 /nfs/dbraw/zinc/02/75/86/136027586.db2.gz FNXRWANRDBCGQE-YPMHNXCESA-N 2 2 236.384 2.159 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)s1 ZINC000335308118 136027587 /nfs/dbraw/zinc/02/75/87/136027587.db2.gz FNXRWANRDBCGQE-YPMHNXCESA-N 2 2 236.384 2.159 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000335332233 136054104 /nfs/dbraw/zinc/05/41/04/136054104.db2.gz SKKZKLTXBUXXMT-AWEZNQCLSA-N 2 2 241.338 2.296 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000335332234 136054210 /nfs/dbraw/zinc/05/42/10/136054210.db2.gz SKKZKLTXBUXXMT-CQSZACIVSA-N 2 2 241.338 2.296 20 0 BEADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000348242899 136056478 /nfs/dbraw/zinc/05/64/78/136056478.db2.gz KSFZQVKUVRNUPO-NXEZZACHSA-N 2 2 247.264 2.156 20 0 BEADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000348242899 136056479 /nfs/dbraw/zinc/05/64/79/136056479.db2.gz KSFZQVKUVRNUPO-NXEZZACHSA-N 2 2 247.264 2.156 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000348256645 136058056 /nfs/dbraw/zinc/05/80/56/136058056.db2.gz WTSJGCOBGQLSGY-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000348256645 136058057 /nfs/dbraw/zinc/05/80/57/136058057.db2.gz WTSJGCOBGQLSGY-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1cccc(OC)c1 ZINC000348329816 136067534 /nfs/dbraw/zinc/06/75/34/136067534.db2.gz RRMCCYPJELKLSJ-CQSZACIVSA-N 2 2 236.359 2.298 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@@H+]1C1CC1 ZINC000348324692 136069977 /nfs/dbraw/zinc/06/99/77/136069977.db2.gz KYWMWKFQRNIYFW-NEPJUHHUSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@H+]1C1CC1 ZINC000348324692 136069978 /nfs/dbraw/zinc/06/99/78/136069978.db2.gz KYWMWKFQRNIYFW-NEPJUHHUSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@@H+]1C1CC1 ZINC000348324696 136070054 /nfs/dbraw/zinc/07/00/54/136070054.db2.gz KYWMWKFQRNIYFW-RYUDHWBXSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@H+]1C1CC1 ZINC000348324696 136070055 /nfs/dbraw/zinc/07/00/55/136070055.db2.gz KYWMWKFQRNIYFW-RYUDHWBXSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@@H+]1C1CC1 ZINC000348324697 136070089 /nfs/dbraw/zinc/07/00/89/136070089.db2.gz KYWMWKFQRNIYFW-VXGBXAGGSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@H+]1C1CC1 ZINC000348324697 136070090 /nfs/dbraw/zinc/07/00/90/136070090.db2.gz KYWMWKFQRNIYFW-VXGBXAGGSA-N 2 2 240.366 2.484 20 0 BEADLP C[C@@H](CCc1cccc(F)c1)[NH2+]CC[NH+](C)C ZINC000348334965 136075910 /nfs/dbraw/zinc/07/59/10/136075910.db2.gz QKUURSYTAGXQHQ-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP CO[C@@H]1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000348441133 136078372 /nfs/dbraw/zinc/07/83/72/136078372.db2.gz SUJIZDLUBLTIAM-LSDHHAIUSA-N 2 2 248.370 2.480 20 0 BEADLP CCCCO[C@H]1C[C@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000348436425 136078713 /nfs/dbraw/zinc/07/87/13/136078713.db2.gz XEMVMMGQOOARKL-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[NH3+])CCCO2 ZINC000335562284 136106763 /nfs/dbraw/zinc/10/67/63/136106763.db2.gz BRJYRDKIUOCYGJ-ZDUSSCGKSA-N 2 2 234.343 2.065 20 0 BEADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[NH3+])CCS2 ZINC000335567465 136108212 /nfs/dbraw/zinc/10/82/12/136108212.db2.gz XYGLHAVZPKUJMK-GFCCVEGCSA-N 2 2 236.384 2.389 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CCC(C)(C)C ZINC000382108475 397869109 /nfs/dbraw/zinc/86/91/09/397869109.db2.gz JKUXDMOEQJOCNW-QWRGUYRKSA-N 2 2 216.344 2.054 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CCC(C)(C)C ZINC000382108475 397869111 /nfs/dbraw/zinc/86/91/11/397869111.db2.gz JKUXDMOEQJOCNW-QWRGUYRKSA-N 2 2 216.344 2.054 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]2CCC[C@H]21 ZINC000649541221 397934381 /nfs/dbraw/zinc/93/43/81/397934381.db2.gz VYOBCOYVPITKOX-BFHYXJOUSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]2CCC[C@H]21 ZINC000649541221 397934382 /nfs/dbraw/zinc/93/43/82/397934382.db2.gz VYOBCOYVPITKOX-BFHYXJOUSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000649541221 397934385 /nfs/dbraw/zinc/93/43/85/397934385.db2.gz VYOBCOYVPITKOX-BFHYXJOUSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000649541221 397934388 /nfs/dbraw/zinc/93/43/88/397934388.db2.gz VYOBCOYVPITKOX-BFHYXJOUSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000629545427 397968949 /nfs/dbraw/zinc/96/89/49/397968949.db2.gz DLMVKPKQUDXIJM-FZZIBODNSA-N 2 2 234.318 2.153 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1C1CC1)[NH+](C)C ZINC000449556054 397955752 /nfs/dbraw/zinc/95/57/52/397955752.db2.gz KHUCDOIHVKAVTG-DRZSPHRISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000449556132 397956170 /nfs/dbraw/zinc/95/61/70/397956170.db2.gz KUWABEXVANOBSI-AEGPPILISA-N 2 2 232.371 2.330 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000449556136 397956485 /nfs/dbraw/zinc/95/64/85/397956485.db2.gz KUWABEXVANOBSI-NWANDNLSSA-N 2 2 232.371 2.330 20 0 BEADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537853 397918676 /nfs/dbraw/zinc/91/86/76/397918676.db2.gz SHYMVBIRMOUXHS-DGTMBMJNSA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538489 397918681 /nfs/dbraw/zinc/91/86/81/397918681.db2.gz LLDSJXKBTPSRON-BJDJZHNGSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537909 397918940 /nfs/dbraw/zinc/91/89/40/397918940.db2.gz ULQIDDSJVKOENB-AVGNSLFASA-N 2 2 228.355 2.411 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(C)o1 ZINC000643537962 397920173 /nfs/dbraw/zinc/92/01/73/397920173.db2.gz VMALVIJQYXUZPU-DLOVCJGASA-N 2 2 240.322 2.247 20 0 BEADLP c1cn(CCC[N@@H+]2CCC[C@H]2C2CC2)c[nH+]1 ZINC000371470393 397990955 /nfs/dbraw/zinc/99/09/55/397990955.db2.gz LEGCHQAJFLGBJK-ZDUSSCGKSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@H+]2CCC[C@H]2C2CC2)c[nH+]1 ZINC000371470393 397990962 /nfs/dbraw/zinc/99/09/62/397990962.db2.gz LEGCHQAJFLGBJK-ZDUSSCGKSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CCC[N@@H+]2CC[C@@H](C3CC3)C2)c[nH+]1 ZINC000371471735 397991283 /nfs/dbraw/zinc/99/12/83/397991283.db2.gz ANVQIIISSCOMTC-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CCC[N@H+]2CC[C@@H](C3CC3)C2)c[nH+]1 ZINC000371471735 397991287 /nfs/dbraw/zinc/99/12/87/397991287.db2.gz ANVQIIISSCOMTC-CYBMUJFWSA-N 2 2 219.332 2.005 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)c1 ZINC000488337748 398062801 /nfs/dbraw/zinc/06/28/01/398062801.db2.gz UKNJQVGAOAVHKL-ZIAGYGMSSA-N 2 2 245.370 2.168 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000309603513 398102812 /nfs/dbraw/zinc/10/28/12/398102812.db2.gz YDBJGCMURVMOPR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH2+]CC1(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000309603513 398102817 /nfs/dbraw/zinc/10/28/17/398102817.db2.gz YDBJGCMURVMOPR-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811490 398116093 /nfs/dbraw/zinc/11/60/93/398116093.db2.gz UOWGMRQTZFBSGI-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(C2CCC2)CC1 ZINC000649811490 398116095 /nfs/dbraw/zinc/11/60/95/398116095.db2.gz UOWGMRQTZFBSGI-GFCCVEGCSA-N 2 2 208.349 2.003 20 0 BEADLP CC(C)C1CC([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397855961 398123750 /nfs/dbraw/zinc/12/37/50/398123750.db2.gz MGWAQFVYWZGGRN-UHFFFAOYSA-N 2 2 210.365 2.105 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414950441 398124528 /nfs/dbraw/zinc/12/45/28/398124528.db2.gz HUDTYLPCNFMTRZ-DOMZBBRYSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccco1 ZINC000062771991 1172780002 /nfs/dbraw/zinc/78/00/02/1172780002.db2.gz ZBYIPZHVLRVDCC-QWHCGFSZSA-N 2 2 236.359 2.285 20 0 BEADLP C[N@H+](Cc1ccoc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862432 1172786232 /nfs/dbraw/zinc/78/62/32/1172786232.db2.gz OIQZEBNNTGGJRW-CYBMUJFWSA-N 2 2 222.332 2.101 20 0 BEADLP C[N@@H+](Cc1ccoc1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862432 1172786236 /nfs/dbraw/zinc/78/62/36/1172786236.db2.gz OIQZEBNNTGGJRW-CYBMUJFWSA-N 2 2 222.332 2.101 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000238226352 487568892 /nfs/dbraw/zinc/56/88/92/487568892.db2.gz DOHSDOPFLPCTBZ-AWEZNQCLSA-N 2 2 218.344 2.261 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000238226352 487568898 /nfs/dbraw/zinc/56/88/98/487568898.db2.gz DOHSDOPFLPCTBZ-AWEZNQCLSA-N 2 2 218.344 2.261 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662158 487572376 /nfs/dbraw/zinc/57/23/76/487572376.db2.gz PMIMWSZOAGUGAU-CMPLNLGQSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662158 487572381 /nfs/dbraw/zinc/57/23/81/487572381.db2.gz PMIMWSZOAGUGAU-CMPLNLGQSA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000393410580 487574751 /nfs/dbraw/zinc/57/47/51/487574751.db2.gz DRCGNHXMUPJQKP-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000393410580 487574755 /nfs/dbraw/zinc/57/47/55/487574755.db2.gz DRCGNHXMUPJQKP-YIYPIFLZSA-N 2 2 222.376 2.249 20 0 BEADLP c1cn(CCC[NH2+]C2Cc3ccccc3C2)c[nH+]1 ZINC000035658117 322900995 /nfs/dbraw/zinc/90/09/95/322900995.db2.gz OCASSSFNEOLQPP-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000334873509 487576042 /nfs/dbraw/zinc/57/60/42/487576042.db2.gz ZZIVMQMHCDAUAY-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000334873509 487576050 /nfs/dbraw/zinc/57/60/50/487576050.db2.gz ZZIVMQMHCDAUAY-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](COC)CC(C)C)C1 ZINC000658287973 487577670 /nfs/dbraw/zinc/57/76/70/487577670.db2.gz PSONJFKOXARABJ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](COC)CC(C)C)C1 ZINC000658287973 487577675 /nfs/dbraw/zinc/57/76/75/487577675.db2.gz PSONJFKOXARABJ-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP Fc1c[nH+]ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095523220 487587324 /nfs/dbraw/zinc/58/73/24/487587324.db2.gz KNRCAFOPYCDVEU-JTQLQIEISA-N 2 2 246.289 2.328 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053389572 487591085 /nfs/dbraw/zinc/59/10/85/487591085.db2.gz SJCJCEVYDFNODB-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053389572 487591095 /nfs/dbraw/zinc/59/10/95/487591095.db2.gz SJCJCEVYDFNODB-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232461027 487595814 /nfs/dbraw/zinc/59/58/14/487595814.db2.gz DEHGDMBVIFOPFP-UKRRQHHQSA-N 2 2 230.355 2.406 20 0 BEADLP [NH3+]CC[N@@H+](Cc1ccccc1)CC1CC=CC1 ZINC000662267401 409569537 /nfs/dbraw/zinc/56/95/37/409569537.db2.gz VDZGUKWQXDIIHV-UHFFFAOYSA-N 2 2 230.355 2.414 20 0 BEADLP [NH3+]CC[N@H+](Cc1ccccc1)CC1CC=CC1 ZINC000662267401 409569543 /nfs/dbraw/zinc/56/95/43/409569543.db2.gz VDZGUKWQXDIIHV-UHFFFAOYSA-N 2 2 230.355 2.414 20 0 BEADLP c1cc2c(c(C[NH2+]C[C@@H]3CCCC[NH2+]3)c1)CCC2 ZINC000650703625 410332515 /nfs/dbraw/zinc/33/25/15/410332515.db2.gz JMLKQRWPAYNQHQ-HNNXBMFYSA-N 2 2 244.382 2.407 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000328147624 487617154 /nfs/dbraw/zinc/61/71/54/487617154.db2.gz CNXXZFLYOYYOSN-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 ZINC000328147624 487617162 /nfs/dbraw/zinc/61/71/62/487617162.db2.gz CNXXZFLYOYYOSN-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](OC)c1ccccc1 ZINC000393358649 410678210 /nfs/dbraw/zinc/67/82/10/410678210.db2.gz YGVVACTZSYGJCT-HUUCEWRRSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000393358649 410678218 /nfs/dbraw/zinc/67/82/18/410678218.db2.gz YGVVACTZSYGJCT-HUUCEWRRSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000308839766 410779411 /nfs/dbraw/zinc/77/94/11/410779411.db2.gz YDDJHKAXMUKQCY-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000308839766 410779416 /nfs/dbraw/zinc/77/94/16/410779416.db2.gz YDDJHKAXMUKQCY-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394374757 410792769 /nfs/dbraw/zinc/79/27/69/410792769.db2.gz KGFWZUCXJJUJRK-HOAMVYINSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394374757 410792775 /nfs/dbraw/zinc/79/27/75/410792775.db2.gz KGFWZUCXJJUJRK-HOAMVYINSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000665297751 410817667 /nfs/dbraw/zinc/81/76/67/410817667.db2.gz LCUJQSQGFNUJBJ-TYNCELHUSA-N 2 2 232.371 2.426 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000039149920 410802137 /nfs/dbraw/zinc/80/21/37/410802137.db2.gz BCPISLXKIKVBAS-JSGCOSHPSA-N 2 2 218.344 2.479 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)C[NH2+]C)s1 ZINC000665296156 410805886 /nfs/dbraw/zinc/80/58/86/410805886.db2.gz NNTWTKMEYCGIQE-IUCAKERBSA-N 2 2 241.404 2.272 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000665297968 410823620 /nfs/dbraw/zinc/82/36/20/410823620.db2.gz PERSRCVROYABEA-SMDDNHRTSA-N 2 2 248.370 2.270 20 0 BEADLP CC(C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000309086815 167006601 /nfs/dbraw/zinc/00/66/01/167006601.db2.gz YTDDQCOHZKOKHM-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000309086815 167006605 /nfs/dbraw/zinc/00/66/05/167006605.db2.gz YTDDQCOHZKOKHM-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1cc(C)c(CNc2cc(C)[nH+]c(C)n2)c[nH+]1 ZINC000396971830 410908532 /nfs/dbraw/zinc/90/85/32/410908532.db2.gz GYCVILNRMPYJHV-UHFFFAOYSA-N 2 2 242.326 2.139 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000337332350 167259724 /nfs/dbraw/zinc/25/97/24/167259724.db2.gz IDAVUBMDUOMWKD-AGIUHOORSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000337332350 167259727 /nfs/dbraw/zinc/25/97/27/167259727.db2.gz IDAVUBMDUOMWKD-AGIUHOORSA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027999 167292537 /nfs/dbraw/zinc/29/25/37/167292537.db2.gz KPYISNAPFQBANW-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027999 167292539 /nfs/dbraw/zinc/29/25/39/167292539.db2.gz KPYISNAPFQBANW-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094077240 167300389 /nfs/dbraw/zinc/30/03/89/167300389.db2.gz PXDGNAVOARRILB-JSGCOSHPSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041028022 167304715 /nfs/dbraw/zinc/30/47/15/167304715.db2.gz OLWGHDOJHDUFPE-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000041028022 167304718 /nfs/dbraw/zinc/30/47/18/167304718.db2.gz OLWGHDOJHDUFPE-CQSZACIVSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151492619 167384194 /nfs/dbraw/zinc/38/41/94/167384194.db2.gz ZGVHNQYCNYLFKH-GFCCVEGCSA-N 2 2 244.342 2.401 20 0 BEADLP CC[NH+](CC)[C@@H](C)CNc1[nH+]cnc2[nH]ccc21 ZINC000263806078 169795793 /nfs/dbraw/zinc/79/57/93/169795793.db2.gz RVIOPDGBBQUROP-JTQLQIEISA-N 2 2 247.346 2.100 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000651833022 411147063 /nfs/dbraw/zinc/14/70/63/411147063.db2.gz NAKVGKZLMTZRNH-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccco1 ZINC000651866442 411147897 /nfs/dbraw/zinc/14/78/97/411147897.db2.gz FBHJHLGMBCSNQZ-UHFFFAOYSA-N 2 2 224.348 2.347 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccco1 ZINC000651866442 411147898 /nfs/dbraw/zinc/14/78/98/411147898.db2.gz FBHJHLGMBCSNQZ-UHFFFAOYSA-N 2 2 224.348 2.347 20 0 BEADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1CC1 ZINC000336764120 411164216 /nfs/dbraw/zinc/16/42/16/411164216.db2.gz POVPNEDNMDYSQQ-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1CC1 ZINC000336764120 411164220 /nfs/dbraw/zinc/16/42/20/411164220.db2.gz POVPNEDNMDYSQQ-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657898864 411159730 /nfs/dbraw/zinc/15/97/30/411159730.db2.gz GMQJILABROGVTP-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCSCC2)C1 ZINC000657898864 411159733 /nfs/dbraw/zinc/15/97/33/411159733.db2.gz GMQJILABROGVTP-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP CC[NH+]1CCC(Nc2cc(COC)cc[nH+]2)CC1 ZINC000652067854 411105015 /nfs/dbraw/zinc/10/50/15/411105015.db2.gz JOCOQDFZDTZKSU-UHFFFAOYSA-N 2 2 249.358 2.124 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000053299941 411168615 /nfs/dbraw/zinc/16/86/15/411168615.db2.gz OGYDZJQEGRIFCW-UHFFFAOYSA-N 2 2 220.360 2.392 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000053299941 411168618 /nfs/dbraw/zinc/16/86/18/411168618.db2.gz OGYDZJQEGRIFCW-UHFFFAOYSA-N 2 2 220.360 2.392 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccoc1 ZINC000656430469 411245149 /nfs/dbraw/zinc/24/51/49/411245149.db2.gz CNLMAUAEEOFFMV-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccoc1 ZINC000656430469 411245150 /nfs/dbraw/zinc/24/51/50/411245150.db2.gz CNLMAUAEEOFFMV-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000656201411 411206890 /nfs/dbraw/zinc/20/68/90/411206890.db2.gz WYLGIZXXYWMVBW-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP [NH3+]CC[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000652344626 411209144 /nfs/dbraw/zinc/20/91/44/411209144.db2.gz SWNKZDJJXKMPSG-UHFFFAOYSA-N 2 2 244.382 2.216 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C(F)F ZINC000658035210 411211708 /nfs/dbraw/zinc/21/17/08/411211708.db2.gz MJXHEIMKKDSQMK-SECBINFHSA-N 2 2 245.317 2.232 20 0 BEADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000652358457 411214942 /nfs/dbraw/zinc/21/49/42/411214942.db2.gz GBXQXIXCQINPNS-CYBMUJFWSA-N 2 2 236.334 2.181 20 0 BEADLP [NH3+]CC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000652358457 411214945 /nfs/dbraw/zinc/21/49/45/411214945.db2.gz GBXQXIXCQINPNS-CYBMUJFWSA-N 2 2 236.334 2.181 20 0 BEADLP Cc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc[nH+]1 ZINC000656226189 411215189 /nfs/dbraw/zinc/21/51/89/411215189.db2.gz LLZXDBHCPNDIMN-CHWSQXEVSA-N 2 2 246.358 2.214 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000655683262 411224153 /nfs/dbraw/zinc/22/41/53/411224153.db2.gz BDCVTSCJGXTLMQ-MNOVXSKESA-N 2 2 230.421 2.200 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CS1 ZINC000655683282 411224248 /nfs/dbraw/zinc/22/42/48/411224248.db2.gz BVXOUPIBGUAORP-VXGBXAGGSA-N 2 2 239.388 2.147 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccccc1OC ZINC000423306926 411237339 /nfs/dbraw/zinc/23/73/39/411237339.db2.gz FSUKVOFYPWENTR-GFCCVEGCSA-N 2 2 236.359 2.345 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401654079 411272634 /nfs/dbraw/zinc/27/26/34/411272634.db2.gz SAWKTPRQKAZBPB-AGIUHOORSA-N 2 2 248.370 2.344 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000643515218 411285206 /nfs/dbraw/zinc/28/52/06/411285206.db2.gz IZYITISDQDMADC-GFCCVEGCSA-N 2 2 235.375 2.349 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401699687 411287157 /nfs/dbraw/zinc/28/71/57/411287157.db2.gz NTWRPOBFZRYNSL-SMDDNHRTSA-N 2 2 218.344 2.083 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401699685 411287219 /nfs/dbraw/zinc/28/72/19/411287219.db2.gz NTWRPOBFZRYNSL-FZMZJTMJSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658206771 411293413 /nfs/dbraw/zinc/29/34/13/411293413.db2.gz QIYYROGDOPMEED-KLUNEYRZSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658206771 411293416 /nfs/dbraw/zinc/29/34/16/411293416.db2.gz QIYYROGDOPMEED-KLUNEYRZSA-N 2 2 248.414 2.495 20 0 BEADLP COCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000658239487 411308262 /nfs/dbraw/zinc/30/82/62/411308262.db2.gz DHGWWPPZCJJLPC-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000658287207 411323904 /nfs/dbraw/zinc/32/39/04/411323904.db2.gz XGWXLWVFYDKUSZ-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000658287207 411323905 /nfs/dbraw/zinc/32/39/05/411323905.db2.gz XGWXLWVFYDKUSZ-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293265 411325678 /nfs/dbraw/zinc/32/56/78/411325678.db2.gz LAYCDOUFJBUDDA-KPHYFBGPSA-N 2 2 242.382 2.443 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293265 411325680 /nfs/dbraw/zinc/32/56/80/411325680.db2.gz LAYCDOUFJBUDDA-KPHYFBGPSA-N 2 2 242.382 2.443 20 0 BEADLP CC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000658119310 411250347 /nfs/dbraw/zinc/25/03/47/411250347.db2.gz DOUNUBQZBPGIDQ-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000658119310 411250348 /nfs/dbraw/zinc/25/03/48/411250348.db2.gz DOUNUBQZBPGIDQ-SGMGOOAPSA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1C2CCCC1CCC2 ZINC000656447371 411255171 /nfs/dbraw/zinc/25/51/71/411255171.db2.gz IYUBPYIEINXXAE-UHFFFAOYSA-N 2 2 233.359 2.370 20 0 BEADLP CCc1ccc(C[N@H+](C)CC(C)(C)[NH3+])s1 ZINC000656781952 411358015 /nfs/dbraw/zinc/35/80/15/411358015.db2.gz AQYBFNCCZYVVHB-UHFFFAOYSA-N 2 2 226.389 2.480 20 0 BEADLP CCc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])s1 ZINC000656781952 411358018 /nfs/dbraw/zinc/35/80/18/411358018.db2.gz AQYBFNCCZYVVHB-UHFFFAOYSA-N 2 2 226.389 2.480 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000130517254 411358442 /nfs/dbraw/zinc/35/84/42/411358442.db2.gz KOLXMKDMRRWYAG-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000130517254 411358447 /nfs/dbraw/zinc/35/84/47/411358447.db2.gz KOLXMKDMRRWYAG-OCCSQVGLSA-N 2 2 248.370 2.007 20 0 BEADLP C[C@H](C[NH2+]CC[NH2+]C(C)(C)C)c1ccccn1 ZINC000656782334 411359641 /nfs/dbraw/zinc/35/96/41/411359641.db2.gz FFMHXKVOMNTBBB-GFCCVEGCSA-N 2 2 235.375 2.163 20 0 BEADLP COc1ccccc1/C=C\C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783606 411361177 /nfs/dbraw/zinc/36/11/77/411361177.db2.gz RAWIDXHBCCXOQT-CLFYSBASSA-N 2 2 248.370 2.378 20 0 BEADLP COc1ccccc1/C=C\C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783606 411361181 /nfs/dbraw/zinc/36/11/81/411361181.db2.gz RAWIDXHBCCXOQT-CLFYSBASSA-N 2 2 248.370 2.378 20 0 BEADLP COc1cc[nH+]c(NCc2[nH+]ccn2C(C)C)c1 ZINC000656772005 411364512 /nfs/dbraw/zinc/36/45/12/411364512.db2.gz OJBNVQNXOMAAIL-UHFFFAOYSA-N 2 2 246.314 2.480 20 0 BEADLP C[C@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000656790719 411371230 /nfs/dbraw/zinc/37/12/30/411371230.db2.gz LLBOHOWLBNECHD-UXIGCNINSA-N 2 2 230.355 2.262 20 0 BEADLP CC1=C(C)C[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000280497171 168084527 /nfs/dbraw/zinc/08/45/27/168084527.db2.gz BTWSDFSOPYTHQK-UHFFFAOYSA-N 2 2 219.332 2.315 20 0 BEADLP CC1=C(C)C[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000280497171 168084528 /nfs/dbraw/zinc/08/45/28/168084528.db2.gz BTWSDFSOPYTHQK-UHFFFAOYSA-N 2 2 219.332 2.315 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)C2CCC2)CC1 ZINC000336748588 168112997 /nfs/dbraw/zinc/11/29/97/168112997.db2.gz SSQVQLMCYBXXTP-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)C2CCC2)CC1 ZINC000336748588 168112998 /nfs/dbraw/zinc/11/29/98/168112998.db2.gz SSQVQLMCYBXXTP-CYBMUJFWSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000294260769 168119793 /nfs/dbraw/zinc/11/97/93/168119793.db2.gz NUTSYPPYDNYOLX-CHWSQXEVSA-N 2 2 219.332 2.360 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336472101 168121323 /nfs/dbraw/zinc/12/13/23/168121323.db2.gz CEDNCLHZJMXDJW-STQMWFEESA-N 2 2 231.343 2.286 20 0 BEADLP CC1=CC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000294260779 168121953 /nfs/dbraw/zinc/12/19/53/168121953.db2.gz NUTSYPPYDNYOLX-STQMWFEESA-N 2 2 219.332 2.360 20 0 BEADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC000235667695 168125661 /nfs/dbraw/zinc/12/56/61/168125661.db2.gz VHALYSGAMYYOEY-OCCSQVGLSA-N 2 2 233.359 2.465 20 0 BEADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC000235388553 168128843 /nfs/dbraw/zinc/12/88/43/168128843.db2.gz VHALYSGAMYYOEY-GXTWGEPZSA-N 2 2 233.359 2.465 20 0 BEADLP CC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000336726142 168145858 /nfs/dbraw/zinc/14/58/58/168145858.db2.gz BOTPEPJNWCTDGK-YIZWMMSDSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000336726142 168145860 /nfs/dbraw/zinc/14/58/60/168145860.db2.gz BOTPEPJNWCTDGK-YIZWMMSDSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CC[NH+](CCC[NH2+]Cc2ccco2)CC1 ZINC000020146243 168179189 /nfs/dbraw/zinc/17/91/89/168179189.db2.gz GEHCTSOYDCLXJT-UHFFFAOYSA-N 2 2 236.359 2.491 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000304570516 168181566 /nfs/dbraw/zinc/18/15/66/168181566.db2.gz WYTCSBOEQVUHPM-CHWSQXEVSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000304570528 168181826 /nfs/dbraw/zinc/18/18/26/168181826.db2.gz WYTCSBOEQVUHPM-STQMWFEESA-N 2 2 242.432 2.059 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771300 168181904 /nfs/dbraw/zinc/18/19/04/168181904.db2.gz YIPBISMSXUYBOP-ZDUSSCGKSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190303858 168202036 /nfs/dbraw/zinc/20/20/36/168202036.db2.gz BWXYLWPEXUFDFJ-TZMCWYRMSA-N 2 2 249.358 2.135 20 0 BEADLP CCC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000190303858 168202038 /nfs/dbraw/zinc/20/20/38/168202038.db2.gz BWXYLWPEXUFDFJ-TZMCWYRMSA-N 2 2 249.358 2.135 20 0 BEADLP COCC(C)(C)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000657306416 411458476 /nfs/dbraw/zinc/45/84/76/411458476.db2.gz IZSKXZGBCHKVAM-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000070344964 411392081 /nfs/dbraw/zinc/39/20/81/411392081.db2.gz WNOWVPDFPWMYCU-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000070344964 411392086 /nfs/dbraw/zinc/39/20/86/411392086.db2.gz WNOWVPDFPWMYCU-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1F ZINC000653609463 411439126 /nfs/dbraw/zinc/43/91/26/411439126.db2.gz OGWVOMYCQXEPIT-AAEUAGOBSA-N 2 2 239.338 2.033 20 0 BEADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1F ZINC000653609463 411439128 /nfs/dbraw/zinc/43/91/28/411439128.db2.gz OGWVOMYCQXEPIT-AAEUAGOBSA-N 2 2 239.338 2.033 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)C2CC2)CCO1 ZINC000217514538 411439391 /nfs/dbraw/zinc/43/93/91/411439391.db2.gz GSMYBZGDQNVWRH-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)C2CC2)CCO1 ZINC000217514538 411439394 /nfs/dbraw/zinc/43/93/94/411439394.db2.gz GSMYBZGDQNVWRH-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657289321 411450197 /nfs/dbraw/zinc/45/01/97/411450197.db2.gz JENBRIKNNOELCO-UHFFFAOYSA-N 2 2 241.338 2.428 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C(C1CC1)C1CC1)CCC2 ZINC000657331589 411468472 /nfs/dbraw/zinc/46/84/72/411468472.db2.gz IABKMBDSOUQWPT-UHFFFAOYSA-N 2 2 231.343 2.108 20 0 BEADLP CC1([NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657345346 411470796 /nfs/dbraw/zinc/47/07/96/411470796.db2.gz LRAZNZOZLAZPJI-UHFFFAOYSA-N 2 2 219.332 2.252 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657365344 411481182 /nfs/dbraw/zinc/48/11/82/411481182.db2.gz CWFDIQCFOGKSIE-QMMMGPOBSA-N 2 2 248.330 2.184 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)co1 ZINC000659882538 411490250 /nfs/dbraw/zinc/49/02/50/411490250.db2.gz ISKSNBIVNWFLGN-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)co1 ZINC000659882538 411490253 /nfs/dbraw/zinc/49/02/53/411490253.db2.gz ISKSNBIVNWFLGN-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CO1 ZINC000657391011 411491085 /nfs/dbraw/zinc/49/10/85/411491085.db2.gz LXJNOONBBUTYFM-STQMWFEESA-N 2 2 249.358 2.041 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117201 411492254 /nfs/dbraw/zinc/49/22/54/411492254.db2.gz BXJMAVIMWBWGJE-YODMDTAWSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117201 411492258 /nfs/dbraw/zinc/49/22/58/411492258.db2.gz BXJMAVIMWBWGJE-YODMDTAWSA-N 2 2 248.345 2.208 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)co1 ZINC000660076949 411534025 /nfs/dbraw/zinc/53/40/25/411534025.db2.gz METOKXGSRWPQMN-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)co1 ZINC000660076949 411534027 /nfs/dbraw/zinc/53/40/27/411534027.db2.gz METOKXGSRWPQMN-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1sccc1Cl ZINC000308232287 411501258 /nfs/dbraw/zinc/50/12/58/411501258.db2.gz UAFHFKOWWTUWFE-UHFFFAOYSA-N 2 2 218.753 2.182 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1sccc1Cl ZINC000308232287 411501260 /nfs/dbraw/zinc/50/12/60/411501260.db2.gz UAFHFKOWWTUWFE-UHFFFAOYSA-N 2 2 218.753 2.182 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438638 411510121 /nfs/dbraw/zinc/51/01/21/411510121.db2.gz SGAXNIFLWCMCPP-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336750732 411511155 /nfs/dbraw/zinc/51/11/55/411511155.db2.gz ZRPMEYWDEHUURZ-IVZWLZJFSA-N 2 2 238.297 2.257 20 0 BEADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336750732 411511159 /nfs/dbraw/zinc/51/11/59/411511159.db2.gz ZRPMEYWDEHUURZ-IVZWLZJFSA-N 2 2 238.297 2.257 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000336750342 411511237 /nfs/dbraw/zinc/51/12/37/411511237.db2.gz URJSOBSDCMARFK-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000336750342 411511241 /nfs/dbraw/zinc/51/12/41/411511241.db2.gz URJSOBSDCMARFK-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC13CCCC3)CCC2 ZINC000657449350 411511474 /nfs/dbraw/zinc/51/14/74/411511474.db2.gz VKKWWBKSKCBYNJ-LBPRGKRZSA-N 2 2 231.343 2.252 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CCC2 ZINC000657492666 411534820 /nfs/dbraw/zinc/53/48/20/411534820.db2.gz ZHQMTAHHCOJHCZ-WXHSDQCUSA-N 2 2 231.343 2.108 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000655811890 411525403 /nfs/dbraw/zinc/52/54/03/411525403.db2.gz XPEBAQHVPWYEJQ-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000655811890 411525405 /nfs/dbraw/zinc/52/54/05/411525405.db2.gz XPEBAQHVPWYEJQ-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000655811887 411525886 /nfs/dbraw/zinc/52/58/86/411525886.db2.gz XPEBAQHVPWYEJQ-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000655811887 411525889 /nfs/dbraw/zinc/52/58/89/411525889.db2.gz XPEBAQHVPWYEJQ-JSGCOSHPSA-N 2 2 248.370 2.043 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1C[C@H]1C1CCC1)CCC2 ZINC000657495128 411535221 /nfs/dbraw/zinc/53/52/21/411535221.db2.gz HIUDRNXBUJYSMS-JSGCOSHPSA-N 2 2 245.370 2.355 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657488529 411531696 /nfs/dbraw/zinc/53/16/96/411531696.db2.gz RMTSWAALLWIQIZ-DGCLKSJQSA-N 2 2 233.359 2.354 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000336904325 170012663 /nfs/dbraw/zinc/01/26/63/170012663.db2.gz VXHFMPUHTKJXNE-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC000336904325 170012665 /nfs/dbraw/zinc/01/26/65/170012665.db2.gz VXHFMPUHTKJXNE-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000083143018 170016682 /nfs/dbraw/zinc/01/66/82/170016682.db2.gz APLJEGWVJFUQMX-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nccs2)C1 ZINC000083143018 170016683 /nfs/dbraw/zinc/01/66/83/170016683.db2.gz APLJEGWVJFUQMX-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000161157657 170016731 /nfs/dbraw/zinc/01/67/31/170016731.db2.gz QWCRFMKSASUVJR-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cscn2)C1 ZINC000161157657 170016733 /nfs/dbraw/zinc/01/67/33/170016733.db2.gz QWCRFMKSASUVJR-WDEREUQCSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@@H+]1CC[C@H](N(C)c2cc(C)[nH+]cn2)C[C@H]1C ZINC000354352575 170017565 /nfs/dbraw/zinc/01/75/65/170017565.db2.gz IJUNEZPQPXRXIT-OLZOCXBDSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@H+]1CC[C@H](N(C)c2cc(C)[nH+]cn2)C[C@H]1C ZINC000354352575 170017568 /nfs/dbraw/zinc/01/75/68/170017568.db2.gz IJUNEZPQPXRXIT-OLZOCXBDSA-N 2 2 248.374 2.094 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2C)C[C@H]1C ZINC000353749721 170018346 /nfs/dbraw/zinc/01/83/46/170018346.db2.gz MBOCBIXXFIQSQY-KGLIPLIRSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2C)C[C@H]1C ZINC000353749721 170018347 /nfs/dbraw/zinc/01/83/47/170018347.db2.gz MBOCBIXXFIQSQY-KGLIPLIRSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2C)C[C@H]1C ZINC000353749721 170018348 /nfs/dbraw/zinc/01/83/48/170018348.db2.gz MBOCBIXXFIQSQY-KGLIPLIRSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2C)C[C@H]1C ZINC000353749721 170018349 /nfs/dbraw/zinc/01/83/49/170018349.db2.gz MBOCBIXXFIQSQY-KGLIPLIRSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000334578399 170022081 /nfs/dbraw/zinc/02/20/81/170022081.db2.gz JFMAIZJKSJPGMS-XHDPSFHLSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000334578399 170022082 /nfs/dbraw/zinc/02/20/82/170022082.db2.gz JFMAIZJKSJPGMS-XHDPSFHLSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000328531959 170022357 /nfs/dbraw/zinc/02/23/57/170022357.db2.gz XYIYAGCKTZXSCH-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000328531959 170022359 /nfs/dbraw/zinc/02/23/59/170022359.db2.gz XYIYAGCKTZXSCH-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328462481 170023116 /nfs/dbraw/zinc/02/31/16/170023116.db2.gz HVWRWPKHNCQRFY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000328531960 170023003 /nfs/dbraw/zinc/02/30/03/170023003.db2.gz XYIYAGCKTZXSCH-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000328531960 170023004 /nfs/dbraw/zinc/02/30/04/170023004.db2.gz XYIYAGCKTZXSCH-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328462481 170023118 /nfs/dbraw/zinc/02/31/18/170023118.db2.gz HVWRWPKHNCQRFY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cc[nH+]cc1NCc1c[nH+]c2n1CCC2 ZINC000657502838 411539343 /nfs/dbraw/zinc/53/93/43/411539343.db2.gz WMUUJNLGYQRARN-UHFFFAOYSA-N 2 2 242.326 2.399 20 0 BEADLP c1cncc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655856621 411539461 /nfs/dbraw/zinc/53/94/61/411539461.db2.gz PLRKOWLDFUOTHS-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655856621 411539464 /nfs/dbraw/zinc/53/94/64/411539464.db2.gz PLRKOWLDFUOTHS-HUUCEWRRSA-N 2 2 245.370 2.188 20 0 BEADLP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2C)co1 ZINC000660117118 411539467 /nfs/dbraw/zinc/53/94/67/411539467.db2.gz METYGHYEIYHSGE-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)co1 ZINC000660117118 411539471 /nfs/dbraw/zinc/53/94/71/411539471.db2.gz METYGHYEIYHSGE-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c[nH]1 ZINC000655856734 411539610 /nfs/dbraw/zinc/53/96/10/411539610.db2.gz OXZRRCCJAFOETG-UONOGXRCSA-N 2 2 233.359 2.121 20 0 BEADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000655856734 411539613 /nfs/dbraw/zinc/53/96/13/411539613.db2.gz OXZRRCCJAFOETG-UONOGXRCSA-N 2 2 233.359 2.121 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCSC(C)C)C1 ZINC000336766463 170029372 /nfs/dbraw/zinc/02/93/72/170029372.db2.gz ROUULIUTGSLEJW-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCSC(C)C)C1 ZINC000336766463 170029374 /nfs/dbraw/zinc/02/93/74/170029374.db2.gz ROUULIUTGSLEJW-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC000309678127 170031112 /nfs/dbraw/zinc/03/11/12/170031112.db2.gz YMBATAXDOBFODO-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC000309678127 170031114 /nfs/dbraw/zinc/03/11/14/170031114.db2.gz YMBATAXDOBFODO-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCSCC(C)C)C1 ZINC000309488379 170031149 /nfs/dbraw/zinc/03/11/49/170031149.db2.gz WGHBQQGGXYKHKA-CHWSQXEVSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCSCC(C)C)C1 ZINC000309488379 170031151 /nfs/dbraw/zinc/03/11/51/170031151.db2.gz WGHBQQGGXYKHKA-CHWSQXEVSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2C)C1 ZINC000358284353 170031296 /nfs/dbraw/zinc/03/12/96/170031296.db2.gz HMSNOXYURLHBPW-GDBMZVCRSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2C)C1 ZINC000358284353 170031297 /nfs/dbraw/zinc/03/12/97/170031297.db2.gz HMSNOXYURLHBPW-GDBMZVCRSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)CC)[C@@H](C)C1 ZINC000309064993 170035542 /nfs/dbraw/zinc/03/55/42/170035542.db2.gz YUOHIIQXZXWYSV-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)CC)[C@@H](C)C1 ZINC000309064993 170035544 /nfs/dbraw/zinc/03/55/44/170035544.db2.gz YUOHIIQXZXWYSV-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCCCOC(C)C)[C@@H](C)C1 ZINC000361030921 170035564 /nfs/dbraw/zinc/03/55/64/170035564.db2.gz LUGIRRALJDNLBR-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]Cc2cscc2C)[C@@H](C)C1 ZINC000309648239 170036532 /nfs/dbraw/zinc/03/65/32/170036532.db2.gz NBDAJQINQUBLGW-GWCFXTLKSA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cscc2C)[C@@H](C)C1 ZINC000309648239 170036533 /nfs/dbraw/zinc/03/65/33/170036533.db2.gz NBDAJQINQUBLGW-GWCFXTLKSA-N 2 2 238.400 2.486 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC)CC2)C1 ZINC000336766189 170037211 /nfs/dbraw/zinc/03/72/11/170037211.db2.gz RJTYFMZTPJOALG-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC)CC2)C1 ZINC000336766189 170037212 /nfs/dbraw/zinc/03/72/12/170037212.db2.gz RJTYFMZTPJOALG-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC000309976818 170037243 /nfs/dbraw/zinc/03/72/43/170037243.db2.gz UAZFBWHXLWEFSU-GUBZILKMSA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(F)(F)F)[C@@H](C)C1 ZINC000309976818 170037244 /nfs/dbraw/zinc/03/72/44/170037244.db2.gz UAZFBWHXLWEFSU-GUBZILKMSA-N 2 2 238.297 2.257 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000309891407 170037623 /nfs/dbraw/zinc/03/76/23/170037623.db2.gz CSHTUIZTHDCYNN-GNRIBBGQSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000309891407 170037624 /nfs/dbraw/zinc/03/76/24/170037624.db2.gz CSHTUIZTHDCYNN-GNRIBBGQSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000657522917 411541272 /nfs/dbraw/zinc/54/12/72/411541272.db2.gz FXJHTVSNXUSVPI-ZDUSSCGKSA-N 2 2 248.370 2.355 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000657522917 411541274 /nfs/dbraw/zinc/54/12/74/411541274.db2.gz FXJHTVSNXUSVPI-ZDUSSCGKSA-N 2 2 248.370 2.355 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523762 411541467 /nfs/dbraw/zinc/54/14/67/411541467.db2.gz IOEQWOKKWWCDQD-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523762 411541469 /nfs/dbraw/zinc/54/14/69/411541469.db2.gz IOEQWOKKWWCDQD-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccnc1 ZINC000657524755 411542431 /nfs/dbraw/zinc/54/24/31/411542431.db2.gz QXJSAGXEOFOBLU-ZDUSSCGKSA-N 2 2 233.359 2.044 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000657524783 411543024 /nfs/dbraw/zinc/54/30/24/411543024.db2.gz LRPJGQVJVDUYMO-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CCO1 ZINC000657524783 411543025 /nfs/dbraw/zinc/54/30/25/411543025.db2.gz LRPJGQVJVDUYMO-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CC1(C)CC1 ZINC000657526672 411543564 /nfs/dbraw/zinc/54/35/64/411543564.db2.gz KNJSRTCQLMWGCI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CC1(C)CC1 ZINC000657526672 411543566 /nfs/dbraw/zinc/54/35/66/411543566.db2.gz KNJSRTCQLMWGCI-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000657527038 411544162 /nfs/dbraw/zinc/54/41/62/411544162.db2.gz PIXWDUWNDXMNJK-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000657527038 411544164 /nfs/dbraw/zinc/54/41/64/411544164.db2.gz PIXWDUWNDXMNJK-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849846 411537071 /nfs/dbraw/zinc/53/70/71/411537071.db2.gz ZIKAYBNBYHGNMW-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849846 411537074 /nfs/dbraw/zinc/53/70/74/411537074.db2.gz ZIKAYBNBYHGNMW-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2(C3CCC3)CC2)n1C ZINC000657501799 411537107 /nfs/dbraw/zinc/53/71/07/411537107.db2.gz ZSMIKQWGBBJDDK-UHFFFAOYSA-N 2 2 219.332 2.151 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(Cl)s1 ZINC000053387937 170115277 /nfs/dbraw/zinc/11/52/77/170115277.db2.gz XKVVYTFMWAOYEK-UHFFFAOYSA-N 2 2 218.753 2.101 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1coc2ccccc12 ZINC000161302631 170115639 /nfs/dbraw/zinc/11/56/39/170115639.db2.gz VCDZFJXOFVQYBB-UHFFFAOYSA-N 2 2 218.300 2.132 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000657562391 411552272 /nfs/dbraw/zinc/55/22/72/411552272.db2.gz HNJBLQGRHLHPJB-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000657562391 411552273 /nfs/dbraw/zinc/55/22/73/411552273.db2.gz HNJBLQGRHLHPJB-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000657563753 411552650 /nfs/dbraw/zinc/55/26/50/411552650.db2.gz QIZKKGQILFUWCQ-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000657563753 411552652 /nfs/dbraw/zinc/55/26/52/411552652.db2.gz QIZKKGQILFUWCQ-NEPJUHHUSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000657564422 411553424 /nfs/dbraw/zinc/55/34/24/411553424.db2.gz VBGOQPWAVHVOPQ-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000657564422 411553425 /nfs/dbraw/zinc/55/34/25/411553425.db2.gz VBGOQPWAVHVOPQ-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC1CCC1 ZINC000657668059 411574125 /nfs/dbraw/zinc/57/41/25/411574125.db2.gz WRVDAZJYOBEHBK-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC1CCC1 ZINC000657668059 411574126 /nfs/dbraw/zinc/57/41/26/411574126.db2.gz WRVDAZJYOBEHBK-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP CCOC1C[NH+](CCCc2c[nH+]ccc2C)C1 ZINC000297501308 170336203 /nfs/dbraw/zinc/33/62/03/170336203.db2.gz UYZFYYMPJDZOIB-UHFFFAOYSA-N 2 2 234.343 2.043 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000657642736 411569486 /nfs/dbraw/zinc/56/94/86/411569486.db2.gz IFQGRSBOCQIAND-GLQYFDAESA-N 2 2 230.355 2.214 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000657642736 411569488 /nfs/dbraw/zinc/56/94/88/411569488.db2.gz IFQGRSBOCQIAND-GLQYFDAESA-N 2 2 230.355 2.214 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@@H+]1C1CC1 ZINC000657654045 411570199 /nfs/dbraw/zinc/57/01/99/411570199.db2.gz QHDTUHUXEYDUJI-WCQYABFASA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCc2ccoc2)C[N@H+]1C1CC1 ZINC000657654045 411570201 /nfs/dbraw/zinc/57/02/01/411570201.db2.gz QHDTUHUXEYDUJI-WCQYABFASA-N 2 2 234.343 2.037 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CC1 ZINC000657681986 411577882 /nfs/dbraw/zinc/57/78/82/411577882.db2.gz TVBDHWGXKCRLHK-LBPRGKRZSA-N 2 2 207.321 2.007 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713610 411586252 /nfs/dbraw/zinc/58/62/52/411586252.db2.gz IHOQKOMUBNUDJO-LCGIIJARSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000657713610 411586254 /nfs/dbraw/zinc/58/62/54/411586254.db2.gz IHOQKOMUBNUDJO-LCGIIJARSA-N 2 2 244.382 2.472 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCc2ccco2)n1C ZINC000657783649 411594986 /nfs/dbraw/zinc/59/49/86/411594986.db2.gz VQNJTTLIZANRMV-UHFFFAOYSA-N 2 2 233.315 2.044 20 0 BEADLP COc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000657804981 411600131 /nfs/dbraw/zinc/60/01/31/411600131.db2.gz PWQMLAZQILAOEV-RISCZKNCSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000657804981 411600133 /nfs/dbraw/zinc/60/01/33/411600133.db2.gz PWQMLAZQILAOEV-RISCZKNCSA-N 2 2 248.370 2.043 20 0 BEADLP CC/C=C\CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660581774 411602069 /nfs/dbraw/zinc/60/20/69/411602069.db2.gz JICWLVPKUKUEIZ-ARJAWSKDSA-N 2 2 205.305 2.055 20 0 BEADLP CC/C=C\CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660581774 411602071 /nfs/dbraw/zinc/60/20/71/411602071.db2.gz JICWLVPKUKUEIZ-ARJAWSKDSA-N 2 2 205.305 2.055 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657818400 411606032 /nfs/dbraw/zinc/60/60/32/411606032.db2.gz ARGOENNFIPIORP-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCSCC1 ZINC000657818400 411606033 /nfs/dbraw/zinc/60/60/33/411606033.db2.gz ARGOENNFIPIORP-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CC1(C)[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000657819659 411606476 /nfs/dbraw/zinc/60/64/76/411606476.db2.gz GCEYXHMOAAFYOW-FRRDWIJNSA-N 2 2 233.359 2.297 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(CF)(CF)C1 ZINC000657819255 411606556 /nfs/dbraw/zinc/60/65/56/411606556.db2.gz WPZFMYMRTUSAOB-UHFFFAOYSA-N 2 2 234.334 2.004 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657822147 411606877 /nfs/dbraw/zinc/60/68/77/411606877.db2.gz WKQHFZSBYLVXGC-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657822147 411606878 /nfs/dbraw/zinc/60/68/78/411606878.db2.gz WKQHFZSBYLVXGC-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCCC12CC2 ZINC000657824292 411607960 /nfs/dbraw/zinc/60/79/60/411607960.db2.gz FZSNTAQOESIPDS-GFCCVEGCSA-N 2 2 208.349 2.005 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCSCC1 ZINC000657836366 411610080 /nfs/dbraw/zinc/61/00/80/411610080.db2.gz UQUDVHWTCAEVMZ-RYUDHWBXSA-N 2 2 239.388 2.147 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870575 411614228 /nfs/dbraw/zinc/61/42/28/411614228.db2.gz FLNVPTMTQHHRCI-VHSXEESVSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)C(F)F ZINC000657870575 411614230 /nfs/dbraw/zinc/61/42/30/411614230.db2.gz FLNVPTMTQHHRCI-VHSXEESVSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657873824 411614648 /nfs/dbraw/zinc/61/46/48/411614648.db2.gz ZIQJXCCFZZGNOD-IUCAKERBSA-N 2 2 222.323 2.206 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000086727086 487536879 /nfs/dbraw/zinc/53/68/79/487536879.db2.gz DSEYCUBIIDKSFA-JGVFFNPUSA-N 2 2 230.764 2.414 20 0 BEADLP CCc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499350 411683911 /nfs/dbraw/zinc/68/39/11/411683911.db2.gz YPWDKJFGMYODPY-UHFFFAOYSA-N 2 2 230.355 2.091 20 0 BEADLP Cc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)c(C)c1 ZINC000663499366 411684272 /nfs/dbraw/zinc/68/42/72/411684272.db2.gz YTXGNCCDUKCJKD-UHFFFAOYSA-N 2 2 230.355 2.145 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000663508002 411690649 /nfs/dbraw/zinc/69/06/49/411690649.db2.gz FZFOKVAWDRGDPN-GFCCVEGCSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000163870074 487620537 /nfs/dbraw/zinc/62/05/37/487620537.db2.gz LILAMJXMVAZYOE-NEPJUHHUSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000163870074 487620540 /nfs/dbraw/zinc/62/05/40/487620540.db2.gz LILAMJXMVAZYOE-NEPJUHHUSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)cc[nH+]1 ZINC000664143389 411870659 /nfs/dbraw/zinc/87/06/59/411870659.db2.gz XVNJWYGFOGPJEZ-LLVKDONJSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(NC[C@H]2CC[N@H+]2C(C)(C)C)cc[nH+]1 ZINC000664143389 411870663 /nfs/dbraw/zinc/87/06/63/411870663.db2.gz XVNJWYGFOGPJEZ-LLVKDONJSA-N 2 2 234.347 2.070 20 0 BEADLP CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c[nH+]cn1C ZINC000662127452 411994920 /nfs/dbraw/zinc/99/49/20/411994920.db2.gz ABQGBJMEBOTQKI-YHWZYXNKSA-N 2 2 233.359 2.226 20 0 BEADLP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c[nH+]cn1C ZINC000662127452 411994923 /nfs/dbraw/zinc/99/49/23/411994923.db2.gz ABQGBJMEBOTQKI-YHWZYXNKSA-N 2 2 233.359 2.226 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662243311 412039916 /nfs/dbraw/zinc/03/99/16/412039916.db2.gz AUIHWTPBUWYFSP-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662243311 412039920 /nfs/dbraw/zinc/03/99/20/412039920.db2.gz AUIHWTPBUWYFSP-UTUOFQBUSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000309218403 171044663 /nfs/dbraw/zinc/04/46/63/171044663.db2.gz UTQNWPOKSYICCU-RNJOBUHISA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000309218403 171044665 /nfs/dbraw/zinc/04/46/65/171044665.db2.gz UTQNWPOKSYICCU-RNJOBUHISA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000309218400 171044996 /nfs/dbraw/zinc/04/49/96/171044996.db2.gz UTQNWPOKSYICCU-LOWDOPEQSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000309218400 171044999 /nfs/dbraw/zinc/04/49/99/171044999.db2.gz UTQNWPOKSYICCU-LOWDOPEQSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309705673 171045244 /nfs/dbraw/zinc/04/52/44/171045244.db2.gz OIOWHTXVKYFKRL-XCCSTKFXSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309705673 171045246 /nfs/dbraw/zinc/04/52/46/171045246.db2.gz OIOWHTXVKYFKRL-XCCSTKFXSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309432109 171060452 /nfs/dbraw/zinc/06/04/52/171060452.db2.gz ADCIQLMRSXFYEB-GMTAPVOTSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309432109 171060454 /nfs/dbraw/zinc/06/04/54/171060454.db2.gz ADCIQLMRSXFYEB-GMTAPVOTSA-N 2 2 219.332 2.045 20 0 BEADLP CC[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000133063909 171082195 /nfs/dbraw/zinc/08/21/95/171082195.db2.gz RSYGOFCKOSCDOZ-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000133063909 171082196 /nfs/dbraw/zinc/08/21/96/171082196.db2.gz RSYGOFCKOSCDOZ-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC[NH+](CC)CC ZINC000338251490 171112387 /nfs/dbraw/zinc/11/23/87/171112387.db2.gz PNDPBODHRNVQQZ-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC[NH+](CC)CC ZINC000338251490 171112388 /nfs/dbraw/zinc/11/23/88/171112388.db2.gz PNDPBODHRNVQQZ-ZIAGYGMSSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000336700772 171118581 /nfs/dbraw/zinc/11/85/81/171118581.db2.gz LGSKCCKWVLXJQK-DGCLKSJQSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000336700772 171118583 /nfs/dbraw/zinc/11/85/83/171118583.db2.gz LGSKCCKWVLXJQK-DGCLKSJQSA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000336651474 171127141 /nfs/dbraw/zinc/12/71/41/171127141.db2.gz VGODZSKVAUNKAI-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000336651474 171127147 /nfs/dbraw/zinc/12/71/47/171127147.db2.gz VGODZSKVAUNKAI-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP CC[C@@](C)(CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354561301 171169251 /nfs/dbraw/zinc/16/92/51/171169251.db2.gz BEZXEPYTJNCPIB-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282901 412075448 /nfs/dbraw/zinc/07/54/48/412075448.db2.gz DFKWFXWRQBYNAF-LAKJJFTBSA-N 2 2 234.387 2.236 20 0 BEADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282901 412075452 /nfs/dbraw/zinc/07/54/52/412075452.db2.gz DFKWFXWRQBYNAF-LAKJJFTBSA-N 2 2 234.387 2.236 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000129041971 171284771 /nfs/dbraw/zinc/28/47/71/171284771.db2.gz RRZJYIQEVQJWSM-RYUDHWBXSA-N 2 2 230.421 2.059 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000238857307 171299592 /nfs/dbraw/zinc/29/95/92/171299592.db2.gz YTZGWYJAGBGQIG-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000238857307 171299594 /nfs/dbraw/zinc/29/95/94/171299594.db2.gz YTZGWYJAGBGQIG-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273133991 171317906 /nfs/dbraw/zinc/31/79/06/171317906.db2.gz VLBDSGGTNJABFH-QWRGUYRKSA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273133991 171317907 /nfs/dbraw/zinc/31/79/07/171317907.db2.gz VLBDSGGTNJABFH-QWRGUYRKSA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336735854 171342436 /nfs/dbraw/zinc/34/24/36/171342436.db2.gz OTEMESMYFSOMOB-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336735854 171342437 /nfs/dbraw/zinc/34/24/37/171342437.db2.gz OTEMESMYFSOMOB-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292451 412081270 /nfs/dbraw/zinc/08/12/70/412081270.db2.gz ICUAAIUIPMTOIE-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292451 412081274 /nfs/dbraw/zinc/08/12/74/412081274.db2.gz ICUAAIUIPMTOIE-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP C[N@H+](CCc1noc2ccccc21)CC(C)(C)[NH3+] ZINC000662292886 412081744 /nfs/dbraw/zinc/08/17/44/412081744.db2.gz BNLFENOSYXTDBW-UHFFFAOYSA-N 2 2 247.342 2.039 20 0 BEADLP C[N@@H+](CCc1noc2ccccc21)CC(C)(C)[NH3+] ZINC000662292886 412081748 /nfs/dbraw/zinc/08/17/48/412081748.db2.gz BNLFENOSYXTDBW-UHFFFAOYSA-N 2 2 247.342 2.039 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000310017439 171366246 /nfs/dbraw/zinc/36/62/46/171366246.db2.gz LKYUWPLRRFZMSE-QJPTWQEYSA-N 2 2 221.348 2.222 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685482 171366735 /nfs/dbraw/zinc/36/67/35/171366735.db2.gz UYQLWLFTLKUCGW-QJPTWQEYSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685482 171366737 /nfs/dbraw/zinc/36/67/37/171366737.db2.gz UYQLWLFTLKUCGW-QJPTWQEYSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304135 412089694 /nfs/dbraw/zinc/08/96/94/412089694.db2.gz JDNIUWICJJIDOJ-UHFFFAOYSA-N 2 2 234.318 2.057 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304135 412089698 /nfs/dbraw/zinc/08/96/98/412089698.db2.gz JDNIUWICJJIDOJ-UHFFFAOYSA-N 2 2 234.318 2.057 20 0 BEADLP Cc1cc(C[N@@H+]2CC3CC2(C[NH3+])C3)c(C)s1 ZINC000662305899 412091393 /nfs/dbraw/zinc/09/13/93/412091393.db2.gz NZSWQWFMAALVJQ-UHFFFAOYSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CC3CC2(C[NH3+])C3)c(C)s1 ZINC000662305899 412091395 /nfs/dbraw/zinc/09/13/95/412091395.db2.gz NZSWQWFMAALVJQ-UHFFFAOYSA-N 2 2 236.384 2.288 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000662306981 412092523 /nfs/dbraw/zinc/09/25/23/412092523.db2.gz TXPUAQGBOAHUFD-LLVKDONJSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000662306981 412092525 /nfs/dbraw/zinc/09/25/25/412092525.db2.gz TXPUAQGBOAHUFD-LLVKDONJSA-N 2 2 212.381 2.482 20 0 BEADLP COc1cccc([C@]2(C)CC[N@H+](C[C@H](C)[NH3+])C2)c1 ZINC000662311286 412094266 /nfs/dbraw/zinc/09/42/66/412094266.db2.gz RNYIXUWPMXPVTO-SWLSCSKDSA-N 2 2 248.370 2.006 20 0 BEADLP COc1cccc([C@]2(C)CC[N@@H+](C[C@H](C)[NH3+])C2)c1 ZINC000662311286 412094269 /nfs/dbraw/zinc/09/42/69/412094269.db2.gz RNYIXUWPMXPVTO-SWLSCSKDSA-N 2 2 248.370 2.006 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000662312655 412094318 /nfs/dbraw/zinc/09/43/18/412094318.db2.gz YMGUDBFBSOYKDQ-LLVKDONJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000662312655 412094319 /nfs/dbraw/zinc/09/43/19/412094319.db2.gz YMGUDBFBSOYKDQ-LLVKDONJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662318621 412097907 /nfs/dbraw/zinc/09/79/07/412097907.db2.gz CNXATMOGJQTMEH-DGCLKSJQSA-N 2 2 210.365 2.378 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662318621 412097910 /nfs/dbraw/zinc/09/79/10/412097910.db2.gz CNXATMOGJQTMEH-DGCLKSJQSA-N 2 2 210.365 2.378 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662320411 412099894 /nfs/dbraw/zinc/09/98/94/412099894.db2.gz ANZKVTWXOGCVJS-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662320411 412099897 /nfs/dbraw/zinc/09/98/97/412099897.db2.gz ANZKVTWXOGCVJS-ZIAGYGMSSA-N 2 2 236.334 2.175 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323418 412100270 /nfs/dbraw/zinc/10/02/70/412100270.db2.gz VKZXEQXUDCBEJQ-RAIGVLPGSA-N 2 2 222.307 2.119 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323418 412100273 /nfs/dbraw/zinc/10/02/73/412100273.db2.gz VKZXEQXUDCBEJQ-RAIGVLPGSA-N 2 2 222.307 2.119 20 0 BEADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323417 412100921 /nfs/dbraw/zinc/10/09/21/412100921.db2.gz VKZXEQXUDCBEJQ-CYZMBNFOSA-N 2 2 222.307 2.119 20 0 BEADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662323417 412100924 /nfs/dbraw/zinc/10/09/24/412100924.db2.gz VKZXEQXUDCBEJQ-CYZMBNFOSA-N 2 2 222.307 2.119 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662325170 412102330 /nfs/dbraw/zinc/10/23/30/412102330.db2.gz JJIHESRLQYMQFY-ZIAGYGMSSA-N 2 2 236.334 2.120 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662325170 412102334 /nfs/dbraw/zinc/10/23/34/412102334.db2.gz JJIHESRLQYMQFY-ZIAGYGMSSA-N 2 2 236.334 2.120 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c(C)s1 ZINC000662323745 412102681 /nfs/dbraw/zinc/10/26/81/412102681.db2.gz UDHPUQMSZNNUHG-VXGBXAGGSA-N 2 2 242.363 2.236 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c(C)s1 ZINC000662323745 412102685 /nfs/dbraw/zinc/10/26/85/412102685.db2.gz UDHPUQMSZNNUHG-VXGBXAGGSA-N 2 2 242.363 2.236 20 0 BEADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242928 412186955 /nfs/dbraw/zinc/18/69/55/412186955.db2.gz OWOUIVITGBYOOL-ZIBATOQPSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cs1 ZINC000665246329 412190575 /nfs/dbraw/zinc/19/05/75/412190575.db2.gz BSDJSYDTHIXUQA-VIFPVBQESA-N 2 2 239.388 2.374 20 0 BEADLP Cc1ccsc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276786 412219374 /nfs/dbraw/zinc/21/93/74/412219374.db2.gz MRYKUCRTQIVADQ-ZBOXLXRLSA-N 2 2 236.384 2.459 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000665294690 412234684 /nfs/dbraw/zinc/23/46/84/412234684.db2.gz UIMRLYFKGYLPSB-RYUDHWBXSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000665294390 412237699 /nfs/dbraw/zinc/23/76/99/412237699.db2.gz NQTGSBSSHOJIRE-VXGBXAGGSA-N 2 2 232.371 2.434 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccs1 ZINC000665293753 412238589 /nfs/dbraw/zinc/23/85/89/412238589.db2.gz BZKGSUOENWCGPK-UWVGGRQHSA-N 2 2 212.362 2.397 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000665293702 412239247 /nfs/dbraw/zinc/23/92/47/412239247.db2.gz BDKDZYILQNXQSO-VHSXEESVSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000665293786 412239673 /nfs/dbraw/zinc/23/96/73/412239673.db2.gz CVUTZBJROMQARJ-SCZZXKLOSA-N 2 2 212.362 2.315 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccs1 ZINC000665293754 412239817 /nfs/dbraw/zinc/23/98/17/412239817.db2.gz BZKGSUOENWCGPK-VHSXEESVSA-N 2 2 212.362 2.397 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000665294643 412241522 /nfs/dbraw/zinc/24/15/22/412241522.db2.gz SQEXZLKREUNBIF-JQWIXIFHSA-N 2 2 236.384 2.421 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000665295434 412242362 /nfs/dbraw/zinc/24/23/62/412242362.db2.gz DLTBHUMSPZXYPB-ZANVPECISA-N 2 2 222.307 2.011 20 0 BEADLP CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccccn1 ZINC000665296467 412242583 /nfs/dbraw/zinc/24/25/83/412242583.db2.gz SVZVLDQBDPGXPC-DGCLKSJQSA-N 2 2 221.348 2.120 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000665295400 412242678 /nfs/dbraw/zinc/24/26/78/412242678.db2.gz DAIFRJUNCDAYOF-BXUZGUMPSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000665295654 412242689 /nfs/dbraw/zinc/24/26/89/412242689.db2.gz HIBJKIVATNKDPI-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000665295429 412242734 /nfs/dbraw/zinc/24/27/34/412242734.db2.gz DLQOPHIOGQFZAJ-MFKMUULPSA-N 2 2 239.338 2.115 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000665297386 412243949 /nfs/dbraw/zinc/24/39/49/412243949.db2.gz FBOJKIUDPVENKY-VXGBXAGGSA-N 2 2 243.354 2.493 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccccc1F ZINC000665297735 412244360 /nfs/dbraw/zinc/24/43/60/412244360.db2.gz KRYDHESOXUPDHE-ZWNOBZJWSA-N 2 2 224.323 2.474 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccc1F ZINC000665297732 412245081 /nfs/dbraw/zinc/24/50/81/412245081.db2.gz KRYDHESOXUPDHE-GWCFXTLKSA-N 2 2 224.323 2.474 20 0 BEADLP CCn1c2ccc(F)cc2[nH+]c1CCC[NH3+] ZINC000037439465 172143114 /nfs/dbraw/zinc/14/31/14/172143114.db2.gz OYLDNHCMSDWPHX-UHFFFAOYSA-N 2 2 221.279 2.087 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336776182 172397829 /nfs/dbraw/zinc/39/78/29/172397829.db2.gz DZJXPTMYYBSOSD-OLZOCXBDSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035010284 172398078 /nfs/dbraw/zinc/39/80/78/172398078.db2.gz OAOUUGILWXFBNX-OAHLLOKOSA-N 2 2 246.398 2.474 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336776183 172398197 /nfs/dbraw/zinc/39/81/97/172398197.db2.gz DZJXPTMYYBSOSD-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cc(F)ccc1F ZINC000037228392 172442637 /nfs/dbraw/zinc/44/26/37/172442637.db2.gz LRXSSFJIRVJLDF-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000076683305 173020720 /nfs/dbraw/zinc/02/07/20/173020720.db2.gz APYMBQQUNOVFFZ-CQSZACIVSA-N 2 2 236.334 2.052 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000076683305 173020723 /nfs/dbraw/zinc/02/07/23/173020723.db2.gz APYMBQQUNOVFFZ-CQSZACIVSA-N 2 2 236.334 2.052 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000300359621 173033092 /nfs/dbraw/zinc/03/30/92/173033092.db2.gz LVHWUHQRUHRZEM-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000300359621 173033095 /nfs/dbraw/zinc/03/30/95/173033095.db2.gz LVHWUHQRUHRZEM-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336275613 173051044 /nfs/dbraw/zinc/05/10/44/173051044.db2.gz WKIGXMGSXXQHGP-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336275613 173051045 /nfs/dbraw/zinc/05/10/45/173051045.db2.gz WKIGXMGSXXQHGP-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000336275613 173051046 /nfs/dbraw/zinc/05/10/46/173051046.db2.gz WKIGXMGSXXQHGP-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](C)(F)C1 ZINC000336275613 173051049 /nfs/dbraw/zinc/05/10/49/173051049.db2.gz WKIGXMGSXXQHGP-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000221149744 173056374 /nfs/dbraw/zinc/05/63/74/173056374.db2.gz NADNWLLXHKAZCI-CVEARBPZSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000221149744 173056376 /nfs/dbraw/zinc/05/63/76/173056376.db2.gz NADNWLLXHKAZCI-CVEARBPZSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000061984706 173124163 /nfs/dbraw/zinc/12/41/63/173124163.db2.gz IHHJAAUHEWSFBC-CYBMUJFWSA-N 2 2 208.349 2.171 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000061984706 173124166 /nfs/dbraw/zinc/12/41/66/173124166.db2.gz IHHJAAUHEWSFBC-CYBMUJFWSA-N 2 2 208.349 2.171 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683214 173126307 /nfs/dbraw/zinc/12/63/07/173126307.db2.gz KGMMVMIZJBCJGF-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683214 173126309 /nfs/dbraw/zinc/12/63/09/173126309.db2.gz KGMMVMIZJBCJGF-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccs3)[C@H]2C1 ZINC000272676212 173134061 /nfs/dbraw/zinc/13/40/61/173134061.db2.gz UROFWSQXTXZQRZ-YPMHNXCESA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccs3)[C@H]2C1 ZINC000272676212 173134062 /nfs/dbraw/zinc/13/40/62/173134062.db2.gz UROFWSQXTXZQRZ-YPMHNXCESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccs3)[C@H]2C1 ZINC000272676212 173134063 /nfs/dbraw/zinc/13/40/63/173134063.db2.gz UROFWSQXTXZQRZ-YPMHNXCESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccs3)[C@H]2C1 ZINC000272676212 173134065 /nfs/dbraw/zinc/13/40/65/173134065.db2.gz UROFWSQXTXZQRZ-YPMHNXCESA-N 2 2 236.384 2.274 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cc2ccccc2s1 ZINC000161259194 173355644 /nfs/dbraw/zinc/35/56/44/173355644.db2.gz PTAVKXQKNZSNQM-UHFFFAOYSA-N 2 2 220.341 2.210 20 0 BEADLP CSc1ccc[nH+]c1NCc1c[nH+]c(C)n1C ZINC000668287427 487626583 /nfs/dbraw/zinc/62/65/83/487626583.db2.gz BSCZEKHRDWBJFZ-UHFFFAOYSA-N 2 2 248.355 2.458 20 0 BEADLP COC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCC1 ZINC000354665238 174000506 /nfs/dbraw/zinc/00/05/06/174000506.db2.gz OZXPAVCSRSCJRE-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000062037072 174215305 /nfs/dbraw/zinc/21/53/05/174215305.db2.gz ADKFKDNXUCZIHF-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000062037072 174215306 /nfs/dbraw/zinc/21/53/06/174215306.db2.gz ADKFKDNXUCZIHF-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000062037070 174215358 /nfs/dbraw/zinc/21/53/58/174215358.db2.gz ADKFKDNXUCZIHF-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000062037070 174215360 /nfs/dbraw/zinc/21/53/60/174215360.db2.gz ADKFKDNXUCZIHF-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354125039 174382828 /nfs/dbraw/zinc/38/28/28/174382828.db2.gz PSUDHLDYPJQWSO-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP CO[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000354337922 174866859 /nfs/dbraw/zinc/86/68/59/174866859.db2.gz CQVFTULIUQKBLC-OAHLLOKOSA-N 2 2 248.370 2.337 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1C ZINC000050597695 175098905 /nfs/dbraw/zinc/09/89/05/175098905.db2.gz XQPZFRVUJJVESE-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1C ZINC000050597695 175098906 /nfs/dbraw/zinc/09/89/06/175098906.db2.gz XQPZFRVUJJVESE-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234969055 175188593 /nfs/dbraw/zinc/18/85/93/175188593.db2.gz RGKRJGKXWIGCKH-WCQYABFASA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+](C)C ZINC000019384807 175207784 /nfs/dbraw/zinc/20/77/84/175207784.db2.gz PLXHMWQSSOJIFM-HNNXBMFYSA-N 2 2 248.370 2.224 20 0 BEADLP COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175751 175258700 /nfs/dbraw/zinc/25/87/00/175258700.db2.gz SUQMLTNONZBOGB-SWLSCSKDSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175751 175258702 /nfs/dbraw/zinc/25/87/02/175258702.db2.gz SUQMLTNONZBOGB-SWLSCSKDSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235011928 175292809 /nfs/dbraw/zinc/29/28/09/175292809.db2.gz YCVVVNPJYCZJLU-SUNKGSAMSA-N 2 2 234.343 2.035 20 0 BEADLP COc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235011928 175292811 /nfs/dbraw/zinc/29/28/11/175292811.db2.gz YCVVVNPJYCZJLU-SUNKGSAMSA-N 2 2 234.343 2.035 20 0 BEADLP COc1cccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054765030 175293563 /nfs/dbraw/zinc/29/35/63/175293563.db2.gz ZYHIJRSFBDHISN-JTQLQIEISA-N 2 2 231.299 2.269 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@@H](C)C[NH+](C)C ZINC000342185268 175315590 /nfs/dbraw/zinc/31/55/90/175315590.db2.gz CHQDNZBONKQJTC-JWJUJFCLSA-N 2 2 248.370 2.248 20 0 BEADLP COc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063191540 175326499 /nfs/dbraw/zinc/32/64/99/175326499.db2.gz OCEVZNQNEMPCQB-GXTWGEPZSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063191540 175326500 /nfs/dbraw/zinc/32/65/00/175326500.db2.gz OCEVZNQNEMPCQB-GXTWGEPZSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070175752 175327879 /nfs/dbraw/zinc/32/78/79/175327879.db2.gz OQLGYRZTJAEJLM-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070175752 175327882 /nfs/dbraw/zinc/32/78/82/175327882.db2.gz OQLGYRZTJAEJLM-TZMCWYRMSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000035274997 175331076 /nfs/dbraw/zinc/33/10/76/175331076.db2.gz NWKODQWULFWMSC-GFCCVEGCSA-N 2 2 245.326 2.070 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@]1(C)CCCO1 ZINC000340502395 175867605 /nfs/dbraw/zinc/86/76/05/175867605.db2.gz JRWAXZCWRNZWDZ-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC([NH3+])CC1 ZINC000034958698 176011754 /nfs/dbraw/zinc/01/17/54/176011754.db2.gz DEWKYLIFLSRGRH-VIFPVBQESA-N 2 2 240.297 2.449 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022099362 176015932 /nfs/dbraw/zinc/01/59/32/176015932.db2.gz MWLNESUUGHTSAK-NSHDSACASA-N 2 2 222.307 2.182 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022099362 176015933 /nfs/dbraw/zinc/01/59/33/176015933.db2.gz MWLNESUUGHTSAK-NSHDSACASA-N 2 2 222.307 2.182 20 0 BEADLP C[C@@H](c1ccncc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181085130 176034158 /nfs/dbraw/zinc/03/41/58/176034158.db2.gz KOVZRVDPPJQFEN-ZDUSSCGKSA-N 2 2 244.342 2.361 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[NH+](C)C ZINC000300060346 176051244 /nfs/dbraw/zinc/05/12/44/176051244.db2.gz DUPUWMYQNDOULN-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000221149898 176088224 /nfs/dbraw/zinc/08/82/24/176088224.db2.gz RBFRUAUQEKSJRO-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000221149898 176088225 /nfs/dbraw/zinc/08/82/25/176088225.db2.gz RBFRUAUQEKSJRO-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000020126764 176143305 /nfs/dbraw/zinc/14/33/05/176143305.db2.gz MXLRXCJSLGRAOX-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H]1C ZINC000182818751 176170168 /nfs/dbraw/zinc/17/01/68/176170168.db2.gz SVMHKQXYPHEGHF-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C ZINC000182818751 176170170 /nfs/dbraw/zinc/17/01/70/176170170.db2.gz SVMHKQXYPHEGHF-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267340606 176173986 /nfs/dbraw/zinc/17/39/86/176173986.db2.gz CHPGNFHSQNKQMU-GFCCVEGCSA-N 2 2 242.326 2.109 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267340606 176173987 /nfs/dbraw/zinc/17/39/87/176173987.db2.gz CHPGNFHSQNKQMU-GFCCVEGCSA-N 2 2 242.326 2.109 20 0 BEADLP C[C@@H]1CCSCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000279355970 176193849 /nfs/dbraw/zinc/19/38/49/176193849.db2.gz VWDKIWSSXWGDJF-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1CCSCC[N@H+]1CCCn1cc[nH+]c1 ZINC000279355970 176193850 /nfs/dbraw/zinc/19/38/50/176193850.db2.gz VWDKIWSSXWGDJF-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000336750871 176274832 /nfs/dbraw/zinc/27/48/32/176274832.db2.gz FZZRVWVPRNLADX-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000336750871 176274833 /nfs/dbraw/zinc/27/48/33/176274833.db2.gz FZZRVWVPRNLADX-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798167 176276584 /nfs/dbraw/zinc/27/65/84/176276584.db2.gz QPVSLKBVMVGGHZ-NELGMTEASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798167 176276586 /nfs/dbraw/zinc/27/65/86/176276586.db2.gz QPVSLKBVMVGGHZ-NELGMTEASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796574 176277786 /nfs/dbraw/zinc/27/77/86/176277786.db2.gz QHQBRIJLGDHTSD-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796574 176277787 /nfs/dbraw/zinc/27/77/87/176277787.db2.gz QHQBRIJLGDHTSD-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCCCC1 ZINC000309145415 176277836 /nfs/dbraw/zinc/27/78/36/176277836.db2.gz VBGDIMFFSUUPSX-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCCCC1 ZINC000309145415 176277837 /nfs/dbraw/zinc/27/78/37/176277837.db2.gz VBGDIMFFSUUPSX-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336779463 176281799 /nfs/dbraw/zinc/28/17/99/176281799.db2.gz OHYJYWNDYOKUJI-MDZLAQPJSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000336779463 176281801 /nfs/dbraw/zinc/28/18/01/176281801.db2.gz OHYJYWNDYOKUJI-MDZLAQPJSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)[C@@H]1C ZINC000336644568 176375238 /nfs/dbraw/zinc/37/52/38/176375238.db2.gz ADKSUKFDNBEYJM-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336782852 176396679 /nfs/dbraw/zinc/39/66/79/176396679.db2.gz YVCOELXKSBEEKT-BZPMIXESSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336782852 176396680 /nfs/dbraw/zinc/39/66/80/176396680.db2.gz YVCOELXKSBEEKT-BZPMIXESSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1C ZINC000668298566 487634006 /nfs/dbraw/zinc/63/40/06/487634006.db2.gz CTGWPFWRKIQWON-AAEUAGOBSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1C ZINC000668298566 487634008 /nfs/dbraw/zinc/63/40/08/487634008.db2.gz CTGWPFWRKIQWON-AAEUAGOBSA-N 2 2 219.332 2.103 20 0 BEADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000177606487 176844891 /nfs/dbraw/zinc/84/48/91/176844891.db2.gz PINAYPGAIPLGSE-NSHDSACASA-N 2 2 219.332 2.272 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000041213133 176860388 /nfs/dbraw/zinc/86/03/88/176860388.db2.gz RKSJQMNRKQKFRA-AAEUAGOBSA-N 2 2 204.317 2.089 20 0 BEADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC[NH3+] ZINC000054416993 177031478 /nfs/dbraw/zinc/03/14/78/177031478.db2.gz ATOKXKCZJBFWQZ-SNVBAGLBSA-N 2 2 218.300 2.384 20 0 BEADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC[NH3+] ZINC000054416993 177031480 /nfs/dbraw/zinc/03/14/80/177031480.db2.gz ATOKXKCZJBFWQZ-SNVBAGLBSA-N 2 2 218.300 2.384 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181085149 177050253 /nfs/dbraw/zinc/05/02/53/177050253.db2.gz KOVZRVDPPJQFEN-CYBMUJFWSA-N 2 2 244.342 2.361 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000044417867 177079677 /nfs/dbraw/zinc/07/96/77/177079677.db2.gz HYITYJGCPKRCMF-QWHCGFSZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000044417867 177079679 /nfs/dbraw/zinc/07/96/79/177079679.db2.gz HYITYJGCPKRCMF-QWHCGFSZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086711 177080164 /nfs/dbraw/zinc/08/01/64/177080164.db2.gz SREOGLUZORHDBK-YNEHKIRRSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000227086711 177080166 /nfs/dbraw/zinc/08/01/66/177080166.db2.gz SREOGLUZORHDBK-YNEHKIRRSA-N 2 2 210.365 2.236 20 0 BEADLP C[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020126759 177082896 /nfs/dbraw/zinc/08/28/96/177082896.db2.gz WRAGCZRZLICCPC-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000336729207 177086191 /nfs/dbraw/zinc/08/61/91/177086191.db2.gz IUYNHMZVEWEPHN-XQQFMLRXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000336777607 177118184 /nfs/dbraw/zinc/11/81/84/177118184.db2.gz IZBDOKUIKQCSQA-BJJPWKGXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000336777607 177118185 /nfs/dbraw/zinc/11/81/85/177118185.db2.gz IZBDOKUIKQCSQA-BJJPWKGXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000041041883 177137589 /nfs/dbraw/zinc/13/75/89/177137589.db2.gz XRVOIRHCDDYNRS-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000162116923 177183351 /nfs/dbraw/zinc/18/33/51/177183351.db2.gz UBMLJHCXSSHLNC-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162116923 177183352 /nfs/dbraw/zinc/18/33/52/177183352.db2.gz UBMLJHCXSSHLNC-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@H+]1CCn1cc[nH+]c1 ZINC000162117301 177184972 /nfs/dbraw/zinc/18/49/72/177184972.db2.gz UBMLJHCXSSHLNC-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000162117301 177184973 /nfs/dbraw/zinc/18/49/73/177184973.db2.gz UBMLJHCXSSHLNC-NWDGAFQWSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1CC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)O1 ZINC000336321397 177188837 /nfs/dbraw/zinc/18/88/37/177188837.db2.gz OVTYRBMHTZZRGK-AAEUAGOBSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642984 177193553 /nfs/dbraw/zinc/19/35/53/177193553.db2.gz NDSLXCYGMGACPF-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccco1 ZINC000275278151 177234191 /nfs/dbraw/zinc/23/41/91/177234191.db2.gz MPYXHVWRDCNBJN-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccco1 ZINC000275278151 177234193 /nfs/dbraw/zinc/23/41/93/177234193.db2.gz MPYXHVWRDCNBJN-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccco1 ZINC000275278151 177234194 /nfs/dbraw/zinc/23/41/94/177234194.db2.gz MPYXHVWRDCNBJN-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccco1 ZINC000275278151 177234196 /nfs/dbraw/zinc/23/41/96/177234196.db2.gz MPYXHVWRDCNBJN-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000335604158 177235649 /nfs/dbraw/zinc/23/56/49/177235649.db2.gz TVUDFKIBHASMEC-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000335604158 177235650 /nfs/dbraw/zinc/23/56/50/177235650.db2.gz TVUDFKIBHASMEC-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781084 177236172 /nfs/dbraw/zinc/23/61/72/177236172.db2.gz TWUWDUFZVKPAAD-GWCFXTLKSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000336781084 177236173 /nfs/dbraw/zinc/23/61/73/177236173.db2.gz TWUWDUFZVKPAAD-GWCFXTLKSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358390333 177239117 /nfs/dbraw/zinc/23/91/17/177239117.db2.gz BXJZLSAGVJSFHN-OUCADQQQSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358390333 177239119 /nfs/dbraw/zinc/23/91/19/177239119.db2.gz BXJZLSAGVJSFHN-OUCADQQQSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145592 177243026 /nfs/dbraw/zinc/24/30/26/177243026.db2.gz BHBHZPZQKHFXQJ-GXSJLCMTSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000355145592 177243028 /nfs/dbraw/zinc/24/30/28/177243028.db2.gz BHBHZPZQKHFXQJ-GXSJLCMTSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000346216320 177243051 /nfs/dbraw/zinc/24/30/51/177243051.db2.gz SQMJYUZWOIHPRO-XJKSGUPXSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000346216320 177243052 /nfs/dbraw/zinc/24/30/52/177243052.db2.gz SQMJYUZWOIHPRO-XJKSGUPXSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@H]1C[NH+](CCC[NH2+]C2CCCC2)C[C@H](C)O1 ZINC000050877916 177250080 /nfs/dbraw/zinc/25/00/80/177250080.db2.gz NVCNTHVLOQDFRH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]1C ZINC000293415249 177262232 /nfs/dbraw/zinc/26/22/32/177262232.db2.gz MTTVJRTUCJZBLC-RYUDHWBXSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]1C ZINC000293415249 177262234 /nfs/dbraw/zinc/26/22/34/177262234.db2.gz MTTVJRTUCJZBLC-RYUDHWBXSA-N 2 2 242.326 2.108 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCF ZINC000280908665 177266677 /nfs/dbraw/zinc/26/66/77/177266677.db2.gz CVYWVEQITVTBSG-JSGCOSHPSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCF ZINC000280908665 177266678 /nfs/dbraw/zinc/26/66/78/177266678.db2.gz CVYWVEQITVTBSG-JSGCOSHPSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@H]1C[NH2+]CC[N@H+](CC2CCCCC2)C1 ZINC000049661964 177282578 /nfs/dbraw/zinc/28/25/78/177282578.db2.gz AHCLVTYGCWGKDF-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1C[NH2+]CC[N@@H+](CC2CCCCC2)C1 ZINC000049661964 177282579 /nfs/dbraw/zinc/28/25/79/177282579.db2.gz AHCLVTYGCWGKDF-LBPRGKRZSA-N 2 2 210.365 2.108 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@@H+]1C ZINC000093643902 177327514 /nfs/dbraw/zinc/32/75/14/177327514.db2.gz LPPBJCQMRIVJIA-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@H+]1C ZINC000093643902 177327516 /nfs/dbraw/zinc/32/75/16/177327516.db2.gz LPPBJCQMRIVJIA-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643902 177327518 /nfs/dbraw/zinc/32/75/18/177327518.db2.gz LPPBJCQMRIVJIA-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cncs2)CC[NH+]1C ZINC000093643902 177327520 /nfs/dbraw/zinc/32/75/20/177327520.db2.gz LPPBJCQMRIVJIA-QWRGUYRKSA-N 2 2 239.388 2.058 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000355171267 177330860 /nfs/dbraw/zinc/33/08/60/177330860.db2.gz WTJFSBHKIJBACK-VHSXEESVSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000355171267 177330862 /nfs/dbraw/zinc/33/08/62/177330862.db2.gz WTJFSBHKIJBACK-VHSXEESVSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)c2nccn21 ZINC000333334477 177331303 /nfs/dbraw/zinc/33/13/03/177331303.db2.gz WVOGFRFRMLYAQW-NWDGAFQWSA-N 2 2 248.374 2.140 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000336775817 177344838 /nfs/dbraw/zinc/34/48/38/177344838.db2.gz CTTIEIVCLNQWJD-NWDGAFQWSA-N 2 2 219.332 2.129 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000336747396 177355473 /nfs/dbraw/zinc/35/54/73/177355473.db2.gz RZGGBHMTDCTUKZ-IKOXMDCHSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000336747396 177355474 /nfs/dbraw/zinc/35/54/74/177355474.db2.gz RZGGBHMTDCTUKZ-IKOXMDCHSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000336747399 177355704 /nfs/dbraw/zinc/35/57/04/177355704.db2.gz RZGGBHMTDCTUKZ-XHJNMGKDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000336747399 177355707 /nfs/dbraw/zinc/35/57/07/177355707.db2.gz RZGGBHMTDCTUKZ-XHJNMGKDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000049714432 177363995 /nfs/dbraw/zinc/36/39/95/177363995.db2.gz IQUMHWKCVVIFHI-GXSJLCMTSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000049714432 177363997 /nfs/dbraw/zinc/36/39/97/177363997.db2.gz IQUMHWKCVVIFHI-GXSJLCMTSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000309776188 177367874 /nfs/dbraw/zinc/36/78/74/177367874.db2.gz LSHAWKZQHUDECS-QWRGUYRKSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000309776188 177367875 /nfs/dbraw/zinc/36/78/75/177367875.db2.gz LSHAWKZQHUDECS-QWRGUYRKSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000357710358 177369777 /nfs/dbraw/zinc/36/97/77/177369777.db2.gz OOXMTNZJJNAXMA-UWVGGRQHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC(C)(F)F)C[N@H+]1C1CC1 ZINC000357710358 177369779 /nfs/dbraw/zinc/36/97/79/177369779.db2.gz OOXMTNZJJNAXMA-UWVGGRQHSA-N 2 2 232.318 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000122797429 177370727 /nfs/dbraw/zinc/37/07/27/177370727.db2.gz RJIPJPBNEYQZSW-ZFWWWQNUSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2ccccc2)C[N@H+]1C1CC1 ZINC000122797429 177370729 /nfs/dbraw/zinc/37/07/29/177370729.db2.gz RJIPJPBNEYQZSW-ZFWWWQNUSA-N 2 2 244.382 2.444 20 0 BEADLP C[C@H]1C[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000334989368 177379486 /nfs/dbraw/zinc/37/94/86/177379486.db2.gz GYCAYCKOSDCRLI-RYUDHWBXSA-N 2 2 219.332 2.176 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CC[NH+]1CCCCCC1 ZINC000309144881 177382029 /nfs/dbraw/zinc/38/20/29/177382029.db2.gz UWKUIIFAZALRAX-STQMWFEESA-N 2 2 210.365 2.108 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3[nH+]ccn3C)c2C[C@@H]1C ZINC000296142648 177387848 /nfs/dbraw/zinc/38/78/48/177387848.db2.gz ZVNNMBFXJHRDDP-MNOVXSKESA-N 2 2 244.342 2.036 20 0 BEADLP COCc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400360823 225094227 /nfs/dbraw/zinc/09/42/27/225094227.db2.gz CZPQBHLAIKNKHZ-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP Cc1cccc(N2CC[N@H+](C)[C@H](C(C)C)C2)[nH+]1 ZINC000487095918 225287475 /nfs/dbraw/zinc/28/74/75/225287475.db2.gz DVRSYRPIWTZJNW-ZDUSSCGKSA-N 2 2 233.359 2.166 20 0 BEADLP Cc1cccc(N2CC[N@@H+](C)[C@H](C(C)C)C2)[nH+]1 ZINC000487095918 225287481 /nfs/dbraw/zinc/28/74/81/225287481.db2.gz DVRSYRPIWTZJNW-ZDUSSCGKSA-N 2 2 233.359 2.166 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228090 487655786 /nfs/dbraw/zinc/65/57/86/487655786.db2.gz MBJWNKOIURBKHT-IQIPOGNMSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CC1(F)F ZINC000666228090 487655791 /nfs/dbraw/zinc/65/57/91/487655791.db2.gz MBJWNKOIURBKHT-IQIPOGNMSA-N 2 2 244.329 2.102 20 0 BEADLP CCc1cc(NCC[C@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000665738342 487661035 /nfs/dbraw/zinc/66/10/35/487661035.db2.gz SKDCGNJNKPYGQZ-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)[nH+]c(C)n1 ZINC000675151160 487675281 /nfs/dbraw/zinc/67/52/81/487675281.db2.gz ICJQNVOUOXHGSL-ZDUSSCGKSA-N 2 2 248.374 2.380 20 0 BEADLP C[C@@]1(C[NH2+]CCCn2cc[nH+]c2)CCCS1 ZINC000087793574 487687608 /nfs/dbraw/zinc/68/76/08/487687608.db2.gz NTVCUNLHPJDGBH-LBPRGKRZSA-N 2 2 239.388 2.149 20 0 BEADLP c1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000676714701 487724219 /nfs/dbraw/zinc/72/42/19/487724219.db2.gz OQAUYOUZWLQTAT-LLVKDONJSA-N 2 2 248.355 2.177 20 0 BEADLP c1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000676714701 487724223 /nfs/dbraw/zinc/72/42/23/487724223.db2.gz OQAUYOUZWLQTAT-LLVKDONJSA-N 2 2 248.355 2.177 20 0 BEADLP Cc1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000228828654 487736059 /nfs/dbraw/zinc/73/60/59/487736059.db2.gz SXXCVOOEKFSGOJ-UHFFFAOYSA-N 2 2 232.371 2.223 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000513677798 487740794 /nfs/dbraw/zinc/74/07/94/487740794.db2.gz BZAFMKXAUVBUFH-UQOMUDLDSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000513677798 487740798 /nfs/dbraw/zinc/74/07/98/487740798.db2.gz BZAFMKXAUVBUFH-UQOMUDLDSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668432663 487746215 /nfs/dbraw/zinc/74/62/15/487746215.db2.gz WGBCBVKMSHYJPF-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668432663 487746219 /nfs/dbraw/zinc/74/62/19/487746219.db2.gz WGBCBVKMSHYJPF-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000251065615 487747644 /nfs/dbraw/zinc/74/76/44/487747644.db2.gz DCUGBGHBZKSIMT-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000251065615 487747645 /nfs/dbraw/zinc/74/76/45/487747645.db2.gz DCUGBGHBZKSIMT-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)=CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243763 487772130 /nfs/dbraw/zinc/77/21/30/487772130.db2.gz ITHFNNKPCIRFQD-UHFFFAOYSA-N 2 2 219.332 2.486 20 0 BEADLP CCc1cccc(Cl)c1C[NH2+][C@@H](C)C[NH3+] ZINC000414949369 487773399 /nfs/dbraw/zinc/77/33/99/487773399.db2.gz ZGVQBIXCDWPUEN-VIFPVBQESA-N 2 2 226.751 2.339 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000414961380 487779033 /nfs/dbraw/zinc/77/90/33/487779033.db2.gz VRTYOULSWXLUPN-RJZSHDOTSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC12CCC2 ZINC000394730790 487808290 /nfs/dbraw/zinc/80/82/90/487808290.db2.gz KWNNHNOECOLBQQ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000234363627 487808673 /nfs/dbraw/zinc/80/86/73/487808673.db2.gz MSMCKLZUOQWRBJ-MRVPVSSYSA-N 2 2 230.714 2.177 20 0 BEADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000651751809 487825328 /nfs/dbraw/zinc/82/53/28/487825328.db2.gz ILRSXZCOBYFGNX-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000414932891 487830626 /nfs/dbraw/zinc/83/06/26/487830626.db2.gz WDMANDTWGROWHG-GJZGRUSLSA-N 3 2 247.386 2.182 20 0 BEADLP CCCC[C@H](CC)CC[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091165 487837176 /nfs/dbraw/zinc/83/71/76/487837176.db2.gz BWINZOIWSBKLJK-KBPBESRZSA-N 2 2 242.407 2.171 20 0 BEADLP CC1=C[C@H](C)C[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098903 487838080 /nfs/dbraw/zinc/83/80/80/487838080.db2.gz UXFCLHJLGCDXNA-NSHDSACASA-N 2 2 231.343 2.227 20 0 BEADLP CC1=C[C@H](C)C[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098903 487838086 /nfs/dbraw/zinc/83/80/86/487838086.db2.gz UXFCLHJLGCDXNA-NSHDSACASA-N 2 2 231.343 2.227 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC=C(Cl)Cl ZINC000852750461 588699791 /nfs/dbraw/zinc/69/97/91/588699791.db2.gz VVPSMECRJZJXSX-ZETCQYMHSA-N 2 2 225.163 2.268 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccccn1 ZINC000651867025 487849483 /nfs/dbraw/zinc/84/94/83/487849483.db2.gz ZHODCOPEDMHXEM-UHFFFAOYSA-N 2 2 235.375 2.149 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccn1 ZINC000651867025 487849489 /nfs/dbraw/zinc/84/94/89/487849489.db2.gz ZHODCOPEDMHXEM-UHFFFAOYSA-N 2 2 235.375 2.149 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1F ZINC000666769328 487854759 /nfs/dbraw/zinc/85/47/59/487854759.db2.gz YSTPHECFWGOMDN-CYBMUJFWSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666768528 487854268 /nfs/dbraw/zinc/85/42/68/487854268.db2.gz ISEWXSLEQUHMGD-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000676490238 487855349 /nfs/dbraw/zinc/85/53/49/487855349.db2.gz OYYJBTMDHXKGHL-CYBMUJFWSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000676490238 487855353 /nfs/dbraw/zinc/85/53/53/487855353.db2.gz OYYJBTMDHXKGHL-CYBMUJFWSA-N 2 2 234.387 2.393 20 0 BEADLP CC1(C)C[N@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C1CC1 ZINC000668178094 487864896 /nfs/dbraw/zinc/86/48/96/487864896.db2.gz NGAPFXHVAPGDSY-AWEZNQCLSA-N 2 2 245.370 2.450 20 0 BEADLP CC1(C)C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@H]1C1CC1 ZINC000668178094 487864905 /nfs/dbraw/zinc/86/49/05/487864905.db2.gz NGAPFXHVAPGDSY-AWEZNQCLSA-N 2 2 245.370 2.450 20 0 BEADLP c1cc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc2cn1 ZINC000666814499 487867651 /nfs/dbraw/zinc/86/76/51/487867651.db2.gz CWYRXQICSDRAJK-OAHLLOKOSA-N 2 2 241.338 2.076 20 0 BEADLP CSCC(C)(C)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000934665568 641238839 /nfs/dbraw/zinc/23/88/39/641238839.db2.gz XTANKUNMFRJUDK-UHFFFAOYSA-N 2 2 227.377 2.258 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cscc1Cl ZINC000666741130 487869654 /nfs/dbraw/zinc/86/96/54/487869654.db2.gz VUTCFXNPDHGZCH-SNVBAGLBSA-N 2 2 232.780 2.474 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847142 487881514 /nfs/dbraw/zinc/88/15/14/487881514.db2.gz HXBNAAZKLKQOKG-GBJTYRQASA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847142 487881518 /nfs/dbraw/zinc/88/15/18/487881518.db2.gz HXBNAAZKLKQOKG-GBJTYRQASA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847144 487881693 /nfs/dbraw/zinc/88/16/93/487881693.db2.gz HXBNAAZKLKQOKG-YJNKXOJESA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000669847144 487881694 /nfs/dbraw/zinc/88/16/94/487881694.db2.gz HXBNAAZKLKQOKG-YJNKXOJESA-N 2 2 234.387 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000670269542 487882581 /nfs/dbraw/zinc/88/25/81/487882581.db2.gz NWXDLLZIHUNDHI-RYUDHWBXSA-N 2 2 235.375 2.470 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1cscc1Cl)C1CC1 ZINC000666834282 487888422 /nfs/dbraw/zinc/88/84/22/487888422.db2.gz VWYUYXNEPIDRQF-JTQLQIEISA-N 2 2 230.764 2.228 20 0 BEADLP Fc1cccc(F)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855425 487890326 /nfs/dbraw/zinc/89/03/26/487890326.db2.gz REGHZPDUKJNGDL-JTQLQIEISA-N 2 2 240.297 2.197 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000234951621 487896475 /nfs/dbraw/zinc/89/64/75/487896475.db2.gz FFWREHKODFHFLA-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP c1cn(CCC[NH2+]CC2CCSCC2)c[nH+]1 ZINC000229254258 487898188 /nfs/dbraw/zinc/89/81/88/487898188.db2.gz IYPYRLFGQMZVOA-UHFFFAOYSA-N 2 2 239.388 2.006 20 0 BEADLP COc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])[nH+]c1 ZINC000234985338 487899275 /nfs/dbraw/zinc/89/92/75/487899275.db2.gz QSUOHFKZASTEHC-ZYHUDNBSSA-N 2 2 235.331 2.020 20 0 BEADLP Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000164816839 487899523 /nfs/dbraw/zinc/89/95/23/487899523.db2.gz HXWUSTDMMDAVAL-WDEREUQCSA-N 2 2 205.305 2.072 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946467 487900046 /nfs/dbraw/zinc/90/00/46/487900046.db2.gz DHODJTQIBUDLEY-VGMNWLOBSA-N 2 2 242.260 2.007 20 0 BEADLP CCOc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537750 487902655 /nfs/dbraw/zinc/90/26/55/487902655.db2.gz NJJCCYCQERVETD-UHFFFAOYSA-N 2 2 248.370 2.079 20 0 BEADLP CCOc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537750 487902662 /nfs/dbraw/zinc/90/26/62/487902662.db2.gz NJJCCYCQERVETD-UHFFFAOYSA-N 2 2 248.370 2.079 20 0 BEADLP C[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)C(C)(C)C ZINC000666916737 487904162 /nfs/dbraw/zinc/90/41/62/487904162.db2.gz JSRYLONCSCQHEH-DTWKUNHWSA-N 2 2 222.323 2.241 20 0 BEADLP C[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C(C)(C)C ZINC000666916738 487904425 /nfs/dbraw/zinc/90/44/25/487904425.db2.gz JSRYLONCSCQHEH-IUCAKERBSA-N 2 2 222.323 2.241 20 0 BEADLP C[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)C(C)(C)C ZINC000666916739 487904480 /nfs/dbraw/zinc/90/44/80/487904480.db2.gz JSRYLONCSCQHEH-RKDXNWHRSA-N 2 2 222.323 2.241 20 0 BEADLP C[N@@H+](Cc1cccc2[nH]ccc21)CC1C[NH+](C)C1 ZINC000668539948 487905012 /nfs/dbraw/zinc/90/50/12/487905012.db2.gz QZGNFYYUSFVCNX-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[N@H+](Cc1cccc2[nH]ccc21)CC1C[NH+](C)C1 ZINC000668539948 487905018 /nfs/dbraw/zinc/90/50/18/487905018.db2.gz QZGNFYYUSFVCNX-UHFFFAOYSA-N 2 2 243.354 2.161 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)CC1)[NH+](C)C ZINC000083427768 487907211 /nfs/dbraw/zinc/90/72/11/487907211.db2.gz OOEPYYYEHULEDG-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945543 487909524 /nfs/dbraw/zinc/90/95/24/487909524.db2.gz WMGYWNYGIXKCFM-NDBYEHHHSA-N 2 2 228.355 2.102 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000666945384 487909651 /nfs/dbraw/zinc/90/96/51/487909651.db2.gz NBFLIPHJPCSSON-KBPBESRZSA-N 2 2 248.345 2.354 20 0 BEADLP CCC1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946449 487910336 /nfs/dbraw/zinc/91/03/36/487910336.db2.gz CTDIGCMZABBZAP-MVKMKZAISA-N 2 2 228.355 2.245 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666946543 487911169 /nfs/dbraw/zinc/91/11/69/487911169.db2.gz ICFQFSXWYCIBBT-XQHKEYJVSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000666947804 487911493 /nfs/dbraw/zinc/91/14/93/487911493.db2.gz IRAZFSVLPFCXIL-XBFCOCLRSA-N 2 2 236.334 2.080 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947819 487912269 /nfs/dbraw/zinc/91/22/69/487912269.db2.gz JOZGBKJKGXPLEL-CYDGBPFRSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947822 487912476 /nfs/dbraw/zinc/91/24/76/487912476.db2.gz JOZGBKJKGXPLEL-ZDEQEGDKSA-N 2 2 228.355 2.101 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000396503018 487936793 /nfs/dbraw/zinc/93/67/93/487936793.db2.gz KSJPKFKTMISRCY-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000396503018 487936800 /nfs/dbraw/zinc/93/68/00/487936800.db2.gz KSJPKFKTMISRCY-QWHCGFSZSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000396503017 487937254 /nfs/dbraw/zinc/93/72/54/487937254.db2.gz KSJPKFKTMISRCY-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000396503017 487937260 /nfs/dbraw/zinc/93/72/60/487937260.db2.gz KSJPKFKTMISRCY-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)C1 ZINC000321178366 487938290 /nfs/dbraw/zinc/93/82/90/487938290.db2.gz ZFTHSFUANFZGCZ-IGQOVBAYSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)C1 ZINC000321178366 487938296 /nfs/dbraw/zinc/93/82/96/487938296.db2.gz ZFTHSFUANFZGCZ-IGQOVBAYSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)ccc1C ZINC000049256699 487944918 /nfs/dbraw/zinc/94/49/18/487944918.db2.gz NSHRZNFFFSZCLP-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(C)ccc1C ZINC000049256699 487944921 /nfs/dbraw/zinc/94/49/21/487944921.db2.gz NSHRZNFFFSZCLP-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP Cc1nc(C)c([C@H](C)[NH2+]CC[NH2+]C2CC2)s1 ZINC000049538818 487948453 /nfs/dbraw/zinc/94/84/53/487948453.db2.gz CJCURHUXTKNSRJ-QMMMGPOBSA-N 2 2 239.388 2.163 20 0 BEADLP Cc1nc(C)c([C@@H](C)[NH2+]CC[NH2+]C2CC2)s1 ZINC000049538817 487948597 /nfs/dbraw/zinc/94/85/97/487948597.db2.gz CJCURHUXTKNSRJ-MRVPVSSYSA-N 2 2 239.388 2.163 20 0 BEADLP C[NH+](C)CCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000653510957 487953579 /nfs/dbraw/zinc/95/35/79/487953579.db2.gz RRBNMJIUCVKAAF-UHFFFAOYSA-N 2 2 215.300 2.181 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000561975826 323009844 /nfs/dbraw/zinc/00/98/44/323009844.db2.gz JDCOLLCGTNDQMU-LLVKDONJSA-N 2 2 219.332 2.010 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000561975826 323009845 /nfs/dbraw/zinc/00/98/45/323009845.db2.gz JDCOLLCGTNDQMU-LLVKDONJSA-N 2 2 219.332 2.010 20 0 BEADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1C ZINC000566805556 323016248 /nfs/dbraw/zinc/01/62/48/323016248.db2.gz INPCLALPSOFQAP-UHFFFAOYSA-N 2 2 232.371 2.486 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccoc1 ZINC000562962052 323035920 /nfs/dbraw/zinc/03/59/20/323035920.db2.gz VAUOVMRATHSFOS-PWSUYJOCSA-N 2 2 208.305 2.072 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569971566 323046178 /nfs/dbraw/zinc/04/61/78/323046178.db2.gz GYURAVYOLSUMEK-ZLDLUXBVSA-N 2 2 230.355 2.201 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569971566 323046179 /nfs/dbraw/zinc/04/61/79/323046179.db2.gz GYURAVYOLSUMEK-ZLDLUXBVSA-N 2 2 230.355 2.201 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000308824570 323081364 /nfs/dbraw/zinc/08/13/64/323081364.db2.gz DGYBHMZVWBAVEN-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000308824570 323081365 /nfs/dbraw/zinc/08/13/65/323081365.db2.gz DGYBHMZVWBAVEN-AGIUHOORSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000319631696 323085596 /nfs/dbraw/zinc/08/55/96/323085596.db2.gz ZOWRILNDYPAEQC-AAEUAGOBSA-N 2 2 206.333 2.321 20 0 BEADLP CC[C@@]1(C)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370303 323100310 /nfs/dbraw/zinc/10/03/10/323100310.db2.gz RDYWUFDMZGRMBB-AWEZNQCLSA-N 2 2 235.375 2.475 20 0 BEADLP CC[C@@]1(C)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565370303 323100311 /nfs/dbraw/zinc/10/03/11/323100311.db2.gz RDYWUFDMZGRMBB-AWEZNQCLSA-N 2 2 235.375 2.475 20 0 BEADLP FCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127442 323113578 /nfs/dbraw/zinc/11/35/78/323113578.db2.gz BLDSDVVGDYJSCX-UHFFFAOYSA-N 2 2 237.322 2.318 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000563422147 323124119 /nfs/dbraw/zinc/12/41/19/323124119.db2.gz VJHXYTPGBOQQAI-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2(C)CCCC2)n1C ZINC000571298044 323140867 /nfs/dbraw/zinc/14/08/67/323140867.db2.gz ASBIAVRUQPIFKI-UHFFFAOYSA-N 2 2 207.321 2.151 20 0 BEADLP CC(C)[N@H+](CCCc1c[nH+]cn1C)CC(F)F ZINC000571413864 323143927 /nfs/dbraw/zinc/14/39/27/323143927.db2.gz OZDMVTPGVYKOAB-UHFFFAOYSA-N 2 2 245.317 2.328 20 0 BEADLP CC(C)[N@@H+](CCCc1c[nH+]cn1C)CC(F)F ZINC000571413864 323143928 /nfs/dbraw/zinc/14/39/28/323143928.db2.gz OZDMVTPGVYKOAB-UHFFFAOYSA-N 2 2 245.317 2.328 20 0 BEADLP CCC(CC)(C[NH2+]Cc1c[nH+]c(C)n1C)OC ZINC000571658527 323162754 /nfs/dbraw/zinc/16/27/54/323162754.db2.gz LKLPRPACXOHYOR-UHFFFAOYSA-N 2 2 239.363 2.023 20 0 BEADLP CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563723887 323175759 /nfs/dbraw/zinc/17/57/59/323175759.db2.gz QDGSYMPSZFLUTD-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000051724954 323190808 /nfs/dbraw/zinc/19/08/08/323190808.db2.gz NLYRHVPBKINLCC-LBPRGKRZSA-N 2 2 236.359 2.273 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000051724954 323190809 /nfs/dbraw/zinc/19/08/09/323190809.db2.gz NLYRHVPBKINLCC-LBPRGKRZSA-N 2 2 236.359 2.273 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240827 323211516 /nfs/dbraw/zinc/21/15/16/323211516.db2.gz ZEXWSXQCDGWYCQ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@H](COC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240827 323211518 /nfs/dbraw/zinc/21/15/18/323211518.db2.gz ZEXWSXQCDGWYCQ-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240826 323211735 /nfs/dbraw/zinc/21/17/35/323211735.db2.gz ZEXWSXQCDGWYCQ-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240826 323211736 /nfs/dbraw/zinc/21/17/36/323211736.db2.gz ZEXWSXQCDGWYCQ-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000325027969 323308994 /nfs/dbraw/zinc/30/89/94/323308994.db2.gz KZAIFVFMZHEOIC-AWEZNQCLSA-N 2 2 224.392 2.497 20 0 BEADLP CC1CC[NH+](CC[NH2+]CC2(C)CC2)CC1 ZINC000309137443 323319847 /nfs/dbraw/zinc/31/98/47/323319847.db2.gz SINSIDKGLMQGSL-UHFFFAOYSA-N 2 2 210.365 2.108 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1C[C@H]1C ZINC000321112600 323376903 /nfs/dbraw/zinc/37/69/03/323376903.db2.gz QTSSHBYRWNLZKJ-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000321522109 323621629 /nfs/dbraw/zinc/62/16/29/323621629.db2.gz OGDFZTZLYYITNP-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529537093 324329926 /nfs/dbraw/zinc/32/99/26/324329926.db2.gz UEXCLAOKGBZHKY-SNVBAGLBSA-N 2 2 243.301 2.297 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537307 324329994 /nfs/dbraw/zinc/32/99/94/324329994.db2.gz VHPTXERDKSEGOZ-PWSUYJOCSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537307 324329998 /nfs/dbraw/zinc/32/99/98/324329998.db2.gz VHPTXERDKSEGOZ-PWSUYJOCSA-N 2 2 246.345 2.494 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179680 324510506 /nfs/dbraw/zinc/51/05/06/324510506.db2.gz ZWCZXUWMZULFCW-AWEZNQCLSA-N 2 2 246.354 2.069 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000130229471 325026985 /nfs/dbraw/zinc/02/69/85/325026985.db2.gz NCZOFTCWJOIWLV-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000131013623 325107800 /nfs/dbraw/zinc/10/78/00/325107800.db2.gz FYDXIEFRBTYRMF-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000131013623 325107802 /nfs/dbraw/zinc/10/78/02/325107802.db2.gz FYDXIEFRBTYRMF-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP CCC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131693630 325177936 /nfs/dbraw/zinc/17/79/36/325177936.db2.gz RWOOKLUNWTXFDS-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP CCC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131693630 325177938 /nfs/dbraw/zinc/17/79/38/325177938.db2.gz RWOOKLUNWTXFDS-ZDUSSCGKSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccn1 ZINC000248021954 325599240 /nfs/dbraw/zinc/59/92/40/325599240.db2.gz JCWKVGUESLPLOG-DMDPSCGWSA-N 2 2 219.332 2.002 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCCC[C@H]1C)[NH+](C)C ZINC000252857866 325698753 /nfs/dbraw/zinc/69/87/53/325698753.db2.gz LMBKVBSIJPSHBW-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CCC(C)(C)OCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000566499351 326059017 /nfs/dbraw/zinc/05/90/17/326059017.db2.gz QOLFSMFTUUSOAN-UHFFFAOYSA-N 2 2 239.363 2.023 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000566678090 326073758 /nfs/dbraw/zinc/07/37/58/326073758.db2.gz PYLOLBKUKAIMRC-BYNQJWBRSA-N 2 2 240.366 2.339 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000566678090 326073760 /nfs/dbraw/zinc/07/37/60/326073760.db2.gz PYLOLBKUKAIMRC-BYNQJWBRSA-N 2 2 240.366 2.339 20 0 BEADLP CC(C)C[NH+](CCn1cc[nH+]c1)CC(C)C ZINC000154255604 326136957 /nfs/dbraw/zinc/13/69/57/326136957.db2.gz VEXVLPDCLZWAHT-UHFFFAOYSA-N 2 2 223.364 2.497 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000572582626 326153264 /nfs/dbraw/zinc/15/32/64/326153264.db2.gz DWNDMZHKGNFHIX-MRXNPFEDSA-N 2 2 244.382 2.085 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000572582626 326153267 /nfs/dbraw/zinc/15/32/67/326153267.db2.gz DWNDMZHKGNFHIX-MRXNPFEDSA-N 2 2 244.382 2.085 20 0 BEADLP COc1cc(C)ccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000567519959 326209718 /nfs/dbraw/zinc/20/97/18/326209718.db2.gz VNRGCBNCHZSDAR-UHFFFAOYSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1cccc2[nH+]c(CSCC[NH+](C)C)cn21 ZINC000157691867 326290994 /nfs/dbraw/zinc/29/09/94/326290994.db2.gz LTIXKCBOABVURV-UHFFFAOYSA-N 2 2 249.383 2.438 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000568653449 326371286 /nfs/dbraw/zinc/37/12/86/326371286.db2.gz DDMPSYHKJZJFHC-XBFCOCLRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000568653449 326371288 /nfs/dbraw/zinc/37/12/88/326371288.db2.gz DDMPSYHKJZJFHC-XBFCOCLRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000568653446 326371421 /nfs/dbraw/zinc/37/14/21/326371421.db2.gz DDMPSYHKJZJFHC-BNOWGMLFSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000568653446 326371422 /nfs/dbraw/zinc/37/14/22/326371422.db2.gz DDMPSYHKJZJFHC-BNOWGMLFSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000488419238 487987933 /nfs/dbraw/zinc/98/79/33/487987933.db2.gz GYVQCPMXWJLWIU-KBMXLJTQSA-N 2 2 246.398 2.405 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000488419236 487988209 /nfs/dbraw/zinc/98/82/09/487988209.db2.gz GYVQCPMXWJLWIU-FVQBIDKESA-N 2 2 246.398 2.405 20 0 BEADLP Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])C3)ccc2n1 ZINC000097862610 488014043 /nfs/dbraw/zinc/01/40/43/488014043.db2.gz DGJUIPDDFKVQSA-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])C3)ccc2n1 ZINC000097862610 488014046 /nfs/dbraw/zinc/01/40/46/488014046.db2.gz DGJUIPDDFKVQSA-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667473568 488020316 /nfs/dbraw/zinc/02/03/16/488020316.db2.gz NQBDDNKDPBDFSC-UHFFFAOYSA-N 2 2 219.332 2.061 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccsc2)n1C ZINC000667486871 488022762 /nfs/dbraw/zinc/02/27/62/488022762.db2.gz GUUMJPLUWCXNCA-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccsc2)n1C ZINC000667486871 488022764 /nfs/dbraw/zinc/02/27/64/488022764.db2.gz GUUMJPLUWCXNCA-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)C(C)C)n1C ZINC000667499952 488030182 /nfs/dbraw/zinc/03/01/82/488030182.db2.gz ZAAOLARIZUXASL-JTQLQIEISA-N 2 2 209.337 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)C(C)C)n1C ZINC000667499952 488030185 /nfs/dbraw/zinc/03/01/85/488030185.db2.gz ZAAOLARIZUXASL-JTQLQIEISA-N 2 2 209.337 2.205 20 0 BEADLP CCCC[N@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000667500079 488030746 /nfs/dbraw/zinc/03/07/46/488030746.db2.gz CCTFZCZPGINLKX-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP CCCC[N@@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000667500079 488030748 /nfs/dbraw/zinc/03/07/48/488030748.db2.gz CCTFZCZPGINLKX-UHFFFAOYSA-N 2 2 221.348 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](CC(C)C)C2CC2)n1C ZINC000667518362 488036829 /nfs/dbraw/zinc/03/68/29/488036829.db2.gz YJIXDXMMMZEFCM-UHFFFAOYSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+](CC(C)C)C2CC2)n1C ZINC000667518362 488036831 /nfs/dbraw/zinc/03/68/31/488036831.db2.gz YJIXDXMMMZEFCM-UHFFFAOYSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H](C)C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667529751 488038627 /nfs/dbraw/zinc/03/86/27/488038627.db2.gz BMFWZEIZJVEGNH-JTQLQIEISA-N 2 2 209.337 2.206 20 0 BEADLP CC[C@H](C)C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667529751 488038634 /nfs/dbraw/zinc/03/86/34/488038634.db2.gz BMFWZEIZJVEGNH-JTQLQIEISA-N 2 2 209.337 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCCC(C)(C)C2)n1C ZINC000667533595 488040042 /nfs/dbraw/zinc/04/00/42/488040042.db2.gz XGXCVIWBCNBKHV-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCCC(C)(C)C2)n1C ZINC000667533595 488040046 /nfs/dbraw/zinc/04/00/46/488040046.db2.gz XGXCVIWBCNBKHV-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP CCC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667534634 488040205 /nfs/dbraw/zinc/04/02/05/488040205.db2.gz HHYWSGBYDXHNLF-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)n1C ZINC000667568138 488050221 /nfs/dbraw/zinc/05/02/21/488050221.db2.gz UVOYYBLFNHXLKF-GHMZBOCLSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)n1C ZINC000667568138 488050224 /nfs/dbraw/zinc/05/02/24/488050224.db2.gz UVOYYBLFNHXLKF-GHMZBOCLSA-N 2 2 221.348 2.349 20 0 BEADLP CC1(C)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667589472 488053498 /nfs/dbraw/zinc/05/34/98/488053498.db2.gz WEQCPYWMROZCNS-UHFFFAOYSA-N 2 2 233.359 2.451 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccco2)CC1(C)C ZINC000084497159 488054514 /nfs/dbraw/zinc/05/45/14/488054514.db2.gz NKLJKJPKUMYVHT-NSHDSACASA-N 2 2 222.332 2.242 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccco2)CC1(C)C ZINC000084497159 488054519 /nfs/dbraw/zinc/05/45/19/488054519.db2.gz NKLJKJPKUMYVHT-NSHDSACASA-N 2 2 222.332 2.242 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3ccco3)C2)n1C ZINC000667618667 488060395 /nfs/dbraw/zinc/06/03/95/488060395.db2.gz DZSCSEKVZJPCCV-GFCCVEGCSA-N 2 2 245.326 2.311 20 0 BEADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000401836499 488070243 /nfs/dbraw/zinc/07/02/43/488070243.db2.gz LLBOHOWLBNECHD-CORIIIEPSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)n1C ZINC000667649646 488073377 /nfs/dbraw/zinc/07/33/77/488073377.db2.gz ZPDPZCTXZTZVPH-MNOVXSKESA-N 2 2 221.348 2.206 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667650812 488074739 /nfs/dbraw/zinc/07/47/39/488074739.db2.gz DXVFLJFBHBJIAP-JQWIXIFHSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667650812 488074743 /nfs/dbraw/zinc/07/47/43/488074743.db2.gz DXVFLJFBHBJIAP-JQWIXIFHSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@@](C)([NH2+]CC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000574863941 488085359 /nfs/dbraw/zinc/08/53/59/488085359.db2.gz RGRWAMDXGDVXTJ-NXEZZACHSA-N 2 2 238.297 2.307 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000389260989 488086159 /nfs/dbraw/zinc/08/61/59/488086159.db2.gz DFZSMKCJSMLQQT-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000389260989 488086163 /nfs/dbraw/zinc/08/61/63/488086163.db2.gz DFZSMKCJSMLQQT-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000389306837 488087964 /nfs/dbraw/zinc/08/79/64/488087964.db2.gz FKRWCXJQIYHCGP-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000389306837 488087970 /nfs/dbraw/zinc/08/79/70/488087970.db2.gz FKRWCXJQIYHCGP-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cn(Cc2cn3ccccc3[nH+]2)c(C)[nH+]1 ZINC000677646182 488087853 /nfs/dbraw/zinc/08/78/53/488087853.db2.gz URUMSOXRVNASBV-UHFFFAOYSA-N 2 2 226.283 2.196 20 0 BEADLP CCC[N@@H+]1CC[C@@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC000389431842 488096402 /nfs/dbraw/zinc/09/64/02/488096402.db2.gz YOMYALAHRYSIQU-CYBMUJFWSA-N 2 2 248.374 2.244 20 0 BEADLP CCC[N@H+]1CC[C@@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC000389431842 488096404 /nfs/dbraw/zinc/09/64/04/488096404.db2.gz YOMYALAHRYSIQU-CYBMUJFWSA-N 2 2 248.374 2.244 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000382263541 487536466 /nfs/dbraw/zinc/53/64/66/487536466.db2.gz XMYZQKKJJAUTMP-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000382263541 487536472 /nfs/dbraw/zinc/53/64/72/487536472.db2.gz XMYZQKKJJAUTMP-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000162089808 487536318 /nfs/dbraw/zinc/53/63/18/487536318.db2.gz PGYKBFOWBAOIJL-LLVKDONJSA-N 2 2 206.333 2.001 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000668682340 488112298 /nfs/dbraw/zinc/11/22/98/488112298.db2.gz FDRKRHNBKZXSMX-HSBZDZAISA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)C1 ZINC000668682340 488112303 /nfs/dbraw/zinc/11/23/03/488112303.db2.gz FDRKRHNBKZXSMX-HSBZDZAISA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668683275 488113139 /nfs/dbraw/zinc/11/31/39/488113139.db2.gz UKHAPKGFIPNMMG-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668683275 488113144 /nfs/dbraw/zinc/11/31/44/488113144.db2.gz UKHAPKGFIPNMMG-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccsc1 ZINC000677802481 488125723 /nfs/dbraw/zinc/12/57/23/488125723.db2.gz MTTVQRHEDAMCAI-UHFFFAOYSA-N 2 2 235.356 2.385 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccsc1 ZINC000677802481 488125725 /nfs/dbraw/zinc/12/57/25/488125725.db2.gz MTTVQRHEDAMCAI-UHFFFAOYSA-N 2 2 235.356 2.385 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000162094915 487537603 /nfs/dbraw/zinc/53/76/03/487537603.db2.gz YMKSJYCJLHLSBA-SNVBAGLBSA-N 2 2 224.373 2.106 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000162145222 487540830 /nfs/dbraw/zinc/54/08/30/487540830.db2.gz GXURTVMNKOMZJT-GFCCVEGCSA-N 2 2 206.333 2.001 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H](C)[C@H]1C ZINC000668242955 487540546 /nfs/dbraw/zinc/54/05/46/487540546.db2.gz OXTZWNYXJOPQRV-WOPDTQHZSA-N 2 2 233.359 2.306 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H](C)[C@H]1C ZINC000668242955 487540550 /nfs/dbraw/zinc/54/05/50/487540550.db2.gz OXTZWNYXJOPQRV-WOPDTQHZSA-N 2 2 233.359 2.306 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c(C)c1 ZINC000086728546 487541272 /nfs/dbraw/zinc/54/12/72/487541272.db2.gz NNEUZVIDSBUEIP-STQMWFEESA-N 2 2 218.344 2.316 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(C)c(Cl)c1 ZINC000231819641 487477461 /nfs/dbraw/zinc/47/74/61/487477461.db2.gz IDUZHJRKTYUFFW-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(C)c(Cl)c1 ZINC000231819641 487477467 /nfs/dbraw/zinc/47/74/67/487477467.db2.gz IDUZHJRKTYUFFW-UHFFFAOYSA-N 2 2 226.751 2.429 20 0 BEADLP C[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C(C)(C)C ZINC000399555291 487489698 /nfs/dbraw/zinc/48/96/98/487489698.db2.gz AYSAKXIXEVYEGU-JTQLQIEISA-N 2 2 200.370 2.338 20 0 BEADLP C[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C(C)(C)C ZINC000399555291 487489701 /nfs/dbraw/zinc/48/97/01/487489701.db2.gz AYSAKXIXEVYEGU-JTQLQIEISA-N 2 2 200.370 2.338 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)s1 ZINC000308806029 487511953 /nfs/dbraw/zinc/51/19/53/487511953.db2.gz AWCYLRUCCUGRFT-CABZTGNLSA-N 2 2 224.373 2.232 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)s1 ZINC000308806029 487511958 /nfs/dbraw/zinc/51/19/58/487511958.db2.gz AWCYLRUCCUGRFT-CABZTGNLSA-N 2 2 224.373 2.232 20 0 BEADLP Fc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000232104448 487510536 /nfs/dbraw/zinc/51/05/36/487510536.db2.gz INKVHSVASFCWTP-CYBMUJFWSA-N 2 2 222.307 2.057 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccsc1 ZINC000119031525 487520798 /nfs/dbraw/zinc/52/07/98/487520798.db2.gz NYDISRJKUMTGTE-UHFFFAOYSA-N 2 2 221.329 2.077 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccsc1 ZINC000119031525 487520800 /nfs/dbraw/zinc/52/08/00/487520800.db2.gz NYDISRJKUMTGTE-UHFFFAOYSA-N 2 2 221.329 2.077 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000382236440 487534522 /nfs/dbraw/zinc/53/45/22/487534522.db2.gz QNKULYZYVGGAAP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC2)C1 ZINC000382236440 487534525 /nfs/dbraw/zinc/53/45/25/487534525.db2.gz QNKULYZYVGGAAP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000334873504 487575836 /nfs/dbraw/zinc/57/58/36/487575836.db2.gz ZZIVMQMHCDAUAY-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000334873504 487575840 /nfs/dbraw/zinc/57/58/40/487575840.db2.gz ZZIVMQMHCDAUAY-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP CCc1cc(NCC[C@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000665738342 487661033 /nfs/dbraw/zinc/66/10/33/487661033.db2.gz SKDCGNJNKPYGQZ-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1cc(N[C@H](C)c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000139883777 487859389 /nfs/dbraw/zinc/85/93/89/487859389.db2.gz MCRHIKUTIIZWRD-MRVPVSSYSA-N 2 2 231.303 2.244 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccsc1 ZINC000061361767 488092955 /nfs/dbraw/zinc/09/29/55/488092955.db2.gz XXDHFWCXZZKJBN-QMMMGPOBSA-N 2 2 207.302 2.322 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667913922 488155584 /nfs/dbraw/zinc/15/55/84/488155584.db2.gz UEHKFYMIYGIOLQ-LSDHHAIUSA-N 2 2 246.354 2.090 20 0 BEADLP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138164 488183818 /nfs/dbraw/zinc/18/38/18/488183818.db2.gz KALVEQUZBWSVAK-LBPRGKRZSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000664138164 488183825 /nfs/dbraw/zinc/18/38/25/488183825.db2.gz KALVEQUZBWSVAK-LBPRGKRZSA-N 2 2 248.374 2.317 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655688171 488189186 /nfs/dbraw/zinc/18/91/86/488189186.db2.gz OJSCMVCOVRXTHW-UTUOFQBUSA-N 2 2 239.388 2.145 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000678073513 488191729 /nfs/dbraw/zinc/19/17/29/488191729.db2.gz WBXDBVCPDKMBCZ-PMPSAXMXSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000678073513 488191731 /nfs/dbraw/zinc/19/17/31/488191731.db2.gz WBXDBVCPDKMBCZ-PMPSAXMXSA-N 2 2 244.382 2.474 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)n1C ZINC000668064620 488197436 /nfs/dbraw/zinc/19/74/36/488197436.db2.gz RROWEDYVXBYCNR-NSHDSACASA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)n1C ZINC000668064620 488197441 /nfs/dbraw/zinc/19/74/41/488197441.db2.gz RROWEDYVXBYCNR-NSHDSACASA-N 2 2 233.359 2.493 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CCOC3CCC3)C2)c[nH+]1 ZINC000672540099 488258936 /nfs/dbraw/zinc/25/89/36/488258936.db2.gz DOYVRSDYRBYJCZ-ZDUSSCGKSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CCOC3CCC3)C2)c[nH+]1 ZINC000672540099 488258939 /nfs/dbraw/zinc/25/89/39/488258939.db2.gz DOYVRSDYRBYJCZ-ZDUSSCGKSA-N 2 2 249.358 2.089 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@H](C)CCCCO)[NH+](C)C ZINC000679331055 488340232 /nfs/dbraw/zinc/34/02/32/488340232.db2.gz CNFIANNTBQJNON-ZIAGYGMSSA-N 2 2 244.423 2.103 20 0 BEADLP C[C@@H](CCCCO)[NH2+]CC[NH+]1CCCCCC1 ZINC000679331466 488340544 /nfs/dbraw/zinc/34/05/44/488340544.db2.gz MAQVZWSXPXEOCP-AWEZNQCLSA-N 2 2 242.407 2.003 20 0 BEADLP Cc1n[nH]cc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000679356842 488344063 /nfs/dbraw/zinc/34/40/63/488344063.db2.gz LXTPAWTYRBTONE-NSHDSACASA-N 2 2 244.342 2.315 20 0 BEADLP Clc1cccc(CC[NH2+]CCn2cc[nH+]c2)c1 ZINC000679385226 488349094 /nfs/dbraw/zinc/34/90/94/488349094.db2.gz PNLBUQLGWVMBOY-UHFFFAOYSA-N 2 2 249.745 2.369 20 0 BEADLP C1=CC[C@H](C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000122521403 490148029 /nfs/dbraw/zinc/14/80/29/490148029.db2.gz UFIJUTSVXDFZDW-DZGCQCFKSA-N 2 2 234.387 2.417 20 0 BEADLP C1=CC[C@H](C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000122521403 490148048 /nfs/dbraw/zinc/14/80/48/490148048.db2.gz UFIJUTSVXDFZDW-DZGCQCFKSA-N 2 2 234.387 2.417 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070325982 490205942 /nfs/dbraw/zinc/20/59/42/490205942.db2.gz KWTZCSMTJDTAOI-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070325982 490205947 /nfs/dbraw/zinc/20/59/47/490205947.db2.gz KWTZCSMTJDTAOI-MCIONIFRSA-N 2 2 240.391 2.018 20 0 BEADLP CSc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000084534801 490345609 /nfs/dbraw/zinc/34/56/09/490345609.db2.gz CZFUUSVJNVHSPB-LBPRGKRZSA-N 2 2 236.384 2.250 20 0 BEADLP Cc1cc(C)cc(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668539819 490357806 /nfs/dbraw/zinc/35/78/06/490357806.db2.gz NHNVNJWTQRJAAU-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1cc(C)cc(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668539819 490357811 /nfs/dbraw/zinc/35/78/11/490357811.db2.gz NHNVNJWTQRJAAU-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1C1CC1 ZINC000130290441 490370633 /nfs/dbraw/zinc/37/06/33/490370633.db2.gz ADPGAQLPOHWRRK-WCQYABFASA-N 2 2 246.354 2.107 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1C1CC1 ZINC000130290441 490370626 /nfs/dbraw/zinc/37/06/26/490370626.db2.gz ADPGAQLPOHWRRK-WCQYABFASA-N 2 2 246.354 2.107 20 0 BEADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000578617390 490468775 /nfs/dbraw/zinc/46/87/75/490468775.db2.gz KXHZHTYZHWRYCS-NHYWBVRUSA-N 2 2 248.370 2.091 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+](C)CCCOC ZINC000651237025 491052753 /nfs/dbraw/zinc/05/27/53/491052753.db2.gz PGATVNUAZYBDHF-CYBMUJFWSA-N 2 2 244.423 2.369 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+](C)CCCOC ZINC000651237025 491052755 /nfs/dbraw/zinc/05/27/55/491052755.db2.gz PGATVNUAZYBDHF-CYBMUJFWSA-N 2 2 244.423 2.369 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCCC1(C)C)[NH+](C)C ZINC000086844232 491064647 /nfs/dbraw/zinc/06/46/47/491064647.db2.gz LLJTUWLEXDGBJA-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000167944615 491105001 /nfs/dbraw/zinc/10/50/01/491105001.db2.gz DCIWCRHPIXNXTA-GFCCVEGCSA-N 2 2 210.365 2.391 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000167944615 491105002 /nfs/dbraw/zinc/10/50/02/491105002.db2.gz DCIWCRHPIXNXTA-GFCCVEGCSA-N 2 2 210.365 2.391 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]CCC[NH+](C)C)s1 ZINC000090399216 491124924 /nfs/dbraw/zinc/12/49/24/491124924.db2.gz ZHAXMUFIHRXBLQ-VIFPVBQESA-N 2 2 227.377 2.054 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134279678 491162886 /nfs/dbraw/zinc/16/28/86/491162886.db2.gz XFNYCVJQODUTLV-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134279678 491162887 /nfs/dbraw/zinc/16/28/87/491162887.db2.gz XFNYCVJQODUTLV-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000309074612 533734781 /nfs/dbraw/zinc/73/47/81/533734781.db2.gz IUYNHMZVEWEPHN-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000309018371 533814072 /nfs/dbraw/zinc/81/40/72/533814072.db2.gz VPJZFHDBSWGHCT-BDAKNGLRSA-N 2 2 226.286 2.257 20 0 BEADLP C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000307728836 533932562 /nfs/dbraw/zinc/93/25/62/533932562.db2.gz GOTKHISGWFBZIV-JSGCOSHPSA-N 2 2 218.344 2.307 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000261548074 536440030 /nfs/dbraw/zinc/44/00/30/536440030.db2.gz JBLHHHFHMROTLG-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000261565792 536440480 /nfs/dbraw/zinc/44/04/80/536440480.db2.gz YNJMASLVCCRXOG-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000486958224 529091135 /nfs/dbraw/zinc/09/11/35/529091135.db2.gz QVSSECLOEZNCHL-QTLSWZBMSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000486958224 529091141 /nfs/dbraw/zinc/09/11/41/529091141.db2.gz QVSSECLOEZNCHL-QTLSWZBMSA-N 2 2 245.370 2.169 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000335647434 534985429 /nfs/dbraw/zinc/98/54/29/534985429.db2.gz UGJQJBAMTNVIQW-GFCCVEGCSA-N 2 2 240.297 2.195 20 0 BEADLP CC(C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171708570 535085952 /nfs/dbraw/zinc/08/59/52/535085952.db2.gz UVWOYSUMVFTNBX-ZDUSSCGKSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171708570 535085959 /nfs/dbraw/zinc/08/59/59/535085959.db2.gz UVWOYSUMVFTNBX-ZDUSSCGKSA-N 2 2 210.365 2.203 20 0 BEADLP CCCc1cccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261929031 535432527 /nfs/dbraw/zinc/43/25/27/535432527.db2.gz CNAJIYZRLUDGRL-SWLSCSKDSA-N 2 2 232.371 2.418 20 0 BEADLP CCCc1cccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261929031 535432530 /nfs/dbraw/zinc/43/25/30/535432530.db2.gz CNAJIYZRLUDGRL-SWLSCSKDSA-N 2 2 232.371 2.418 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769339 535540341 /nfs/dbraw/zinc/54/03/41/535540341.db2.gz IJVLSYXYIKWIEV-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000249615433 535541945 /nfs/dbraw/zinc/54/19/45/535541945.db2.gz YEFSXEAWKAQKDX-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C2(C)CC2)C1 ZINC000249615433 535541951 /nfs/dbraw/zinc/54/19/51/535541951.db2.gz YEFSXEAWKAQKDX-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000349024823 535726191 /nfs/dbraw/zinc/72/61/91/535726191.db2.gz GEXZXODYISOQAN-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CCOC ZINC000349024823 535726194 /nfs/dbraw/zinc/72/61/94/535726194.db2.gz GEXZXODYISOQAN-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000185644134 536180194 /nfs/dbraw/zinc/18/01/94/536180194.db2.gz WAKQRAMYRVBLNN-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261569747 536178955 /nfs/dbraw/zinc/17/89/55/536178955.db2.gz GNHUXNCXIZFQHB-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261569747 536178958 /nfs/dbraw/zinc/17/89/58/536178958.db2.gz GNHUXNCXIZFQHB-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000185644134 536180191 /nfs/dbraw/zinc/18/01/91/536180191.db2.gz WAKQRAMYRVBLNN-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000261833661 536375385 /nfs/dbraw/zinc/37/53/85/536375385.db2.gz JFPOIELVHUYMJJ-SMDDNHRTSA-N 2 2 236.334 2.223 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000261833661 536375386 /nfs/dbraw/zinc/37/53/86/536375386.db2.gz JFPOIELVHUYMJJ-SMDDNHRTSA-N 2 2 236.334 2.223 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000261531054 536468220 /nfs/dbraw/zinc/46/82/20/536468220.db2.gz FALGFFJWYQSTLM-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000261531054 536468223 /nfs/dbraw/zinc/46/82/23/536468223.db2.gz FALGFFJWYQSTLM-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000178042574 536665146 /nfs/dbraw/zinc/66/51/46/536665146.db2.gz FNYCEEVFQSIRSW-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CCc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000344442684 566272654 /nfs/dbraw/zinc/27/26/54/566272654.db2.gz RKTNZHZYOLNTEO-CZUORRHYSA-N 2 2 246.398 2.331 20 0 BEADLP CCc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000344442684 566272658 /nfs/dbraw/zinc/27/26/58/566272658.db2.gz RKTNZHZYOLNTEO-CZUORRHYSA-N 2 2 246.398 2.331 20 0 BEADLP CCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000892763115 582977953 /nfs/dbraw/zinc/97/79/53/582977953.db2.gz JGXRIIMXHJWELF-LLVKDONJSA-N 2 2 240.347 2.108 20 0 BEADLP c1cn(CC[NH2+]C[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000892441879 582888209 /nfs/dbraw/zinc/88/82/09/582888209.db2.gz RXNJQIYZKRTOND-AWEZNQCLSA-N 2 2 241.338 2.203 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nccs1 ZINC000651866765 583147458 /nfs/dbraw/zinc/14/74/58/583147458.db2.gz QMMUBJHUVJPYEJ-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nccs1 ZINC000651866765 583147459 /nfs/dbraw/zinc/14/74/59/583147459.db2.gz QMMUBJHUVJPYEJ-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP Cc1ncoc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000893979524 583266052 /nfs/dbraw/zinc/26/60/52/583266052.db2.gz BRYOEBZOBLMAJF-UHFFFAOYSA-N 2 2 246.314 2.017 20 0 BEADLP C[NH+](C)CCc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894122748 583312042 /nfs/dbraw/zinc/31/20/42/583312042.db2.gz NQRRPKXLYIYURA-UHFFFAOYSA-N 2 2 244.342 2.126 20 0 BEADLP C[NH+](C)CCc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894122748 583312045 /nfs/dbraw/zinc/31/20/45/583312045.db2.gz NQRRPKXLYIYURA-UHFFFAOYSA-N 2 2 244.342 2.126 20 0 BEADLP C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894178088 583328308 /nfs/dbraw/zinc/32/83/08/583328308.db2.gz CMISXHJQCDACKH-AAEUAGOBSA-N 2 2 237.347 2.095 20 0 BEADLP C[C@H](COc1cccc(F)c1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894198949 583336101 /nfs/dbraw/zinc/33/61/01/583336101.db2.gz HSPPPNPRKQKDRZ-SNVBAGLBSA-N 2 2 249.289 2.106 20 0 BEADLP Cc1ccc(OCCC[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894210940 583376784 /nfs/dbraw/zinc/37/67/84/583376784.db2.gz IRKFTISDXFTYNE-UHFFFAOYSA-N 2 2 245.326 2.277 20 0 BEADLP Cc1ccc(O[C@H](C)C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894307283 583417982 /nfs/dbraw/zinc/41/79/82/583417982.db2.gz DWIVNGPTANOPNQ-GFCCVEGCSA-N 2 2 245.326 2.275 20 0 BEADLP C[C@H](C[NH2+]Cc1c[nH+]c[nH]1)Oc1ccc(F)cc1 ZINC000894311826 583419484 /nfs/dbraw/zinc/41/94/84/583419484.db2.gz YUUIRLLMYUWGPU-SNVBAGLBSA-N 2 2 249.289 2.106 20 0 BEADLP CCCSC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000894444957 583460489 /nfs/dbraw/zinc/46/04/89/583460489.db2.gz IYQFAWCAEWQWJE-WDEREUQCSA-N 2 2 218.410 2.058 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1ocnc1C ZINC000894776241 583516742 /nfs/dbraw/zinc/51/67/42/583516742.db2.gz DTYMFEQNQFXPRD-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ocnc1C ZINC000894776241 583516743 /nfs/dbraw/zinc/51/67/43/583516743.db2.gz DTYMFEQNQFXPRD-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP CCCSC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000894844197 583530485 /nfs/dbraw/zinc/53/04/85/583530485.db2.gz XGFGDYIJIUANEX-NSHDSACASA-N 2 2 241.404 2.084 20 0 BEADLP C[C@]1(C[NH2+]Cc2c[nH+]c[nH]2)CC1(Cl)Cl ZINC000894899655 583550681 /nfs/dbraw/zinc/55/06/81/583550681.db2.gz ZSMRRXHFAAAYOD-MRVPVSSYSA-N 2 2 234.130 2.083 20 0 BEADLP c1[nH]c(C[NH2+]C23CCC(CC2)CC3)c[nH+]1 ZINC000894907535 583554052 /nfs/dbraw/zinc/55/40/52/583554052.db2.gz UHQOCXBNDNKMIK-UHFFFAOYSA-N 2 2 205.305 2.222 20 0 BEADLP CC(C)CCCC[N@H+](C)CC1C[NH+](C)C1 ZINC000895364235 583660604 /nfs/dbraw/zinc/66/06/04/583660604.db2.gz YARQGLAAODXALE-UHFFFAOYSA-N 2 2 212.381 2.306 20 0 BEADLP CC(C)CCCC[N@@H+](C)CC1C[NH+](C)C1 ZINC000895364235 583660605 /nfs/dbraw/zinc/66/06/05/583660605.db2.gz YARQGLAAODXALE-UHFFFAOYSA-N 2 2 212.381 2.306 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH+]1CC(CC2CC2)C1 ZINC000895378057 583662325 /nfs/dbraw/zinc/66/23/25/583662325.db2.gz ORDHRLZMTGIZKH-UHFFFAOYSA-N 2 2 231.343 2.204 20 0 BEADLP FC[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895544350 583689013 /nfs/dbraw/zinc/68/90/13/583689013.db2.gz KNWBBFVTBPDAEC-NSHDSACASA-N 2 2 237.322 2.011 20 0 BEADLP FC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895544350 583689014 /nfs/dbraw/zinc/68/90/14/583689014.db2.gz KNWBBFVTBPDAEC-NSHDSACASA-N 2 2 237.322 2.011 20 0 BEADLP C[C@]1(C[NH2+]Cc2c[nH+]c[nH]2)CCOC2(CCC2)C1 ZINC000895820441 583734030 /nfs/dbraw/zinc/73/40/30/583734030.db2.gz FTOLOKMLQSMQKH-ZDUSSCGKSA-N 2 2 249.358 2.239 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246761 583765310 /nfs/dbraw/zinc/76/53/10/583765310.db2.gz PXDNDUIOXOAXFH-YRGRVCCFSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000883246761 583765311 /nfs/dbraw/zinc/76/53/11/583765311.db2.gz PXDNDUIOXOAXFH-YRGRVCCFSA-N 2 2 220.360 2.025 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000896555943 583811586 /nfs/dbraw/zinc/81/15/86/583811586.db2.gz SKIMVAFFDBRXHJ-UKRRQHHQSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC000896555943 583811587 /nfs/dbraw/zinc/81/15/87/583811587.db2.gz SKIMVAFFDBRXHJ-UKRRQHHQSA-N 2 2 247.386 2.005 20 0 BEADLP CCO[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000897067354 583876378 /nfs/dbraw/zinc/87/63/78/583876378.db2.gz IILNAYNCUCTMTD-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CCO[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000897067354 583876379 /nfs/dbraw/zinc/87/63/79/583876379.db2.gz IILNAYNCUCTMTD-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CCc1nc(NCC[N@@H+]2CCC(C)(C)C2)cc[nH+]1 ZINC000897247641 583902393 /nfs/dbraw/zinc/90/23/93/583902393.db2.gz DDXXHPFQTJJCRV-UHFFFAOYSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1nc(NCC[N@H+]2CCC(C)(C)C2)cc[nH+]1 ZINC000897247641 583902395 /nfs/dbraw/zinc/90/23/95/583902395.db2.gz DDXXHPFQTJJCRV-UHFFFAOYSA-N 2 2 248.374 2.183 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438319 583983391 /nfs/dbraw/zinc/98/33/91/583983391.db2.gz AEIKBXBAYCSMSI-SMDDNHRTSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438319 583983393 /nfs/dbraw/zinc/98/33/93/583983393.db2.gz AEIKBXBAYCSMSI-SMDDNHRTSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1ccc2ncc(C[N@@H+](C)C[C@H](C)[NH3+])cc2c1 ZINC000863569222 583992781 /nfs/dbraw/zinc/99/27/81/583992781.db2.gz SPNZIVLDTXDEGE-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2ncc(C[N@H+](C)C[C@H](C)[NH3+])cc2c1 ZINC000863569222 583992782 /nfs/dbraw/zinc/99/27/82/583992782.db2.gz SPNZIVLDTXDEGE-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000729682124 584022501 /nfs/dbraw/zinc/02/25/01/584022501.db2.gz NKKOSALNILZOEB-DYLGSBMWSA-N 2 2 246.354 2.002 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000729682124 584022504 /nfs/dbraw/zinc/02/25/04/584022504.db2.gz NKKOSALNILZOEB-DYLGSBMWSA-N 2 2 246.354 2.002 20 0 BEADLP Cl/C=C/C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932030 584030383 /nfs/dbraw/zinc/03/03/83/584030383.db2.gz SXKNIFONDUNLMI-JRBALWBOSA-N 2 2 225.723 2.273 20 0 BEADLP Cl/C=C/C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729932030 584030385 /nfs/dbraw/zinc/03/03/85/584030385.db2.gz SXKNIFONDUNLMI-JRBALWBOSA-N 2 2 225.723 2.273 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1C[C@@H]3CCC[C@@H]13)CCC2 ZINC000897959906 584067299 /nfs/dbraw/zinc/06/72/99/584067299.db2.gz XXEGAESJHFOLKM-CYZMBNFOSA-N 2 2 231.343 2.108 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034181 584078045 /nfs/dbraw/zinc/07/80/45/584078045.db2.gz KBFOJMPORPVGHP-RYUDHWBXSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034181 584078047 /nfs/dbraw/zinc/07/80/47/584078047.db2.gz KBFOJMPORPVGHP-RYUDHWBXSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034183 584078191 /nfs/dbraw/zinc/07/81/91/584078191.db2.gz KBFOJMPORPVGHP-VXGBXAGGSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034183 584078192 /nfs/dbraw/zinc/07/81/92/584078192.db2.gz KBFOJMPORPVGHP-VXGBXAGGSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034178 584078504 /nfs/dbraw/zinc/07/85/04/584078504.db2.gz KBFOJMPORPVGHP-NEPJUHHUSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034178 584078506 /nfs/dbraw/zinc/07/85/06/584078506.db2.gz KBFOJMPORPVGHP-NEPJUHHUSA-N 2 2 242.432 2.059 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000898034865 584078830 /nfs/dbraw/zinc/07/88/30/584078830.db2.gz ZKOCNOLQJZTKND-KGLIPLIRSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000898034865 584078831 /nfs/dbraw/zinc/07/88/31/584078831.db2.gz ZKOCNOLQJZTKND-KGLIPLIRSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+]C2CCSCC2)C1 ZINC000898035722 584078881 /nfs/dbraw/zinc/07/88/81/584078881.db2.gz XMDVTCJUOTVHGR-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCSCC2)C1 ZINC000898035722 584078882 /nfs/dbraw/zinc/07/88/82/584078882.db2.gz XMDVTCJUOTVHGR-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@@H](O)C2CC2)c[nH+]1 ZINC000898204500 584091197 /nfs/dbraw/zinc/09/11/97/584091197.db2.gz VLCDPOPLNCUHPQ-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccoc1 ZINC000898308079 584109836 /nfs/dbraw/zinc/10/98/36/584109836.db2.gz NEKKUPOKURLUFU-UHFFFAOYSA-N 2 2 224.348 2.299 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccoc1 ZINC000898308079 584109837 /nfs/dbraw/zinc/10/98/37/584109837.db2.gz NEKKUPOKURLUFU-UHFFFAOYSA-N 2 2 224.348 2.299 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000898313964 584111148 /nfs/dbraw/zinc/11/11/48/584111148.db2.gz JAPFNEWCROJBST-RDBSUJKOSA-N 2 2 242.407 2.120 20 0 BEADLP CC1(C)C(C)(C)C1(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000898413891 584131622 /nfs/dbraw/zinc/13/16/22/584131622.db2.gz DGUYPHLGOXHMMF-UHFFFAOYSA-N 2 2 207.321 2.324 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000858483656 588959704 /nfs/dbraw/zinc/95/97/04/588959704.db2.gz VMMIBVITZBHPMJ-UPJWGTAASA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000858483656 588959705 /nfs/dbraw/zinc/95/97/05/588959705.db2.gz VMMIBVITZBHPMJ-UPJWGTAASA-N 2 2 210.365 2.105 20 0 BEADLP Nc1ccc(-c2ccc3c(c2)CC[C@H]([NH3+])C3)c[nH+]1 ZINC000899323769 584196369 /nfs/dbraw/zinc/19/63/69/584196369.db2.gz QOIONBBHWXIHTQ-AWEZNQCLSA-N 2 2 239.322 2.147 20 0 BEADLP CCNc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000902089702 584524327 /nfs/dbraw/zinc/52/43/27/584524327.db2.gz GBIWFQLSRYHGPY-AWEZNQCLSA-N 2 2 247.386 2.302 20 0 BEADLP CCNc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000902089702 584524329 /nfs/dbraw/zinc/52/43/29/584524329.db2.gz GBIWFQLSRYHGPY-AWEZNQCLSA-N 2 2 247.386 2.302 20 0 BEADLP CCn1c[nH+]c(CNc2[nH+]c(C)ccc2OC)c1 ZINC000902340237 584557368 /nfs/dbraw/zinc/55/73/68/584557368.db2.gz UVFGWKVOJTWSGR-UHFFFAOYSA-N 2 2 246.314 2.227 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1nccc2ccccc21 ZINC000902408187 584574770 /nfs/dbraw/zinc/57/47/70/584574770.db2.gz YDKJADXUJRBWJV-LLVKDONJSA-N 2 2 241.338 2.377 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)ccc1F ZINC000902415538 584589709 /nfs/dbraw/zinc/58/97/09/584589709.db2.gz HZXQUOXUKLZEHS-GFCCVEGCSA-N 2 2 240.297 2.497 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000902417332 584591344 /nfs/dbraw/zinc/59/13/44/584591344.db2.gz YHMHTUAACFJYQQ-MRVPVSSYSA-N 2 2 226.270 2.107 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440896 584597795 /nfs/dbraw/zinc/59/77/95/584597795.db2.gz BAJJIMOKZVHGNI-ZLKJLUDKSA-N 2 2 218.344 2.389 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000902443199 584598185 /nfs/dbraw/zinc/59/81/85/584598185.db2.gz DODQCZIGYAOOBC-RISCZKNCSA-N 2 2 248.370 2.344 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1F ZINC000902413557 584599465 /nfs/dbraw/zinc/59/94/65/584599465.db2.gz OBDSUIFHBGBWAT-GFCCVEGCSA-N 2 2 222.307 2.358 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472514 584600987 /nfs/dbraw/zinc/60/09/87/584600987.db2.gz BWNBTSXXSHDSRE-REBRKWNGSA-N 2 2 228.339 2.156 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902472498 584601435 /nfs/dbraw/zinc/60/14/35/584601435.db2.gz BHGAXDNSLYWGSY-GSVCSZOMSA-N 2 2 234.318 2.369 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473256 584601819 /nfs/dbraw/zinc/60/18/19/584601819.db2.gz WFVMVDQTUJHYJE-SYAUCNOPSA-N 2 2 242.366 2.465 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(O)c1 ZINC000902448145 584604886 /nfs/dbraw/zinc/60/48/86/584604886.db2.gz CYLFWGIDXXFHSC-ZWNOBZJWSA-N 2 2 234.343 2.041 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(O)c1 ZINC000902448142 584605175 /nfs/dbraw/zinc/60/51/75/584605175.db2.gz CYLFWGIDXXFHSC-GWCFXTLKSA-N 2 2 234.343 2.041 20 0 BEADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902463640 584612065 /nfs/dbraw/zinc/61/20/65/584612065.db2.gz AHAFPTKZRZTKTH-IXOXFDKPSA-N 2 2 232.327 2.140 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902466497 584614067 /nfs/dbraw/zinc/61/40/67/584614067.db2.gz KKFCIRPIMKPEOW-SCUASFONSA-N 2 2 216.328 2.230 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902471940 584617576 /nfs/dbraw/zinc/61/75/76/584617576.db2.gz USXWENJWLLLWCW-MXRKXNECSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C/C=C/Cl ZINC000902522867 584632041 /nfs/dbraw/zinc/63/20/41/584632041.db2.gz YXJIZJCLMWNOBL-PJKPIPPESA-N 2 2 238.762 2.287 20 0 BEADLP CCn1c[nH+]c(CNc2ccc3c([nH+]2)CCC3)c1 ZINC000902585273 584639122 /nfs/dbraw/zinc/63/91/22/584639122.db2.gz QKSSWVAGPUBDIB-UHFFFAOYSA-N 2 2 242.326 2.399 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000902718935 584657720 /nfs/dbraw/zinc/65/77/20/584657720.db2.gz JKFRKXIOPKTKES-XDQVBPFNSA-N 2 2 242.407 2.118 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902726065 584660698 /nfs/dbraw/zinc/66/06/98/584660698.db2.gz JDOLDAWCNPSLPP-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1C[C@@H]3CCC[C@H]3C1)CC2 ZINC000902961905 584706975 /nfs/dbraw/zinc/70/69/75/584706975.db2.gz ATCUGEKYAORICW-RWMBFGLXSA-N 2 2 245.370 2.366 20 0 BEADLP F[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000902994465 584711429 /nfs/dbraw/zinc/71/14/29/584711429.db2.gz CERDXXZFZSEGPG-ZDUSSCGKSA-N 2 2 228.355 2.296 20 0 BEADLP F[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000902994465 584711431 /nfs/dbraw/zinc/71/14/31/584711431.db2.gz CERDXXZFZSEGPG-ZDUSSCGKSA-N 2 2 228.355 2.296 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]3C1)C2 ZINC000902993503 584711753 /nfs/dbraw/zinc/71/17/53/584711753.db2.gz UHGRZSDBBZPQGW-RNJOBUHISA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]3C1)CC2 ZINC000902993503 584711754 /nfs/dbraw/zinc/71/17/54/584711754.db2.gz UHGRZSDBBZPQGW-RNJOBUHISA-N 2 2 245.370 2.435 20 0 BEADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](F)C1 ZINC000902996747 584714451 /nfs/dbraw/zinc/71/44/51/584714451.db2.gz WJHFENPXAQAXNM-GFCCVEGCSA-N 2 2 225.311 2.016 20 0 BEADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](F)C1 ZINC000902996747 584714453 /nfs/dbraw/zinc/71/44/53/584714453.db2.gz WJHFENPXAQAXNM-GFCCVEGCSA-N 2 2 225.311 2.016 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1OC ZINC000903171922 584732645 /nfs/dbraw/zinc/73/26/45/584732645.db2.gz TWEORUQDAQPWEU-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1OC ZINC000903171922 584732646 /nfs/dbraw/zinc/73/26/46/584732646.db2.gz TWEORUQDAQPWEU-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000903184126 584733795 /nfs/dbraw/zinc/73/37/95/584733795.db2.gz UTNYCEXNGMLPPC-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000903184126 584733797 /nfs/dbraw/zinc/73/37/97/584733797.db2.gz UTNYCEXNGMLPPC-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000903198354 584734907 /nfs/dbraw/zinc/73/49/07/584734907.db2.gz JOKQNMULIREBDP-GLQYFDAESA-N 2 2 245.370 2.426 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903200704 584735293 /nfs/dbraw/zinc/73/52/93/584735293.db2.gz BNVHRYKXDPVRRE-SMDDNHRTSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CCC1 ZINC000903201911 584735309 /nfs/dbraw/zinc/73/53/09/584735309.db2.gz QZXOFIOUVZXNJH-NSHDSACASA-N 2 2 233.359 2.426 20 0 BEADLP C[C@H](CC1CC1)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201787 584735411 /nfs/dbraw/zinc/73/54/11/584735411.db2.gz NLQSNYKRXDUDOO-LLVKDONJSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC[N@@H+]1C ZINC000903297329 584743085 /nfs/dbraw/zinc/74/30/85/584743085.db2.gz DXPSGEDCKNFOLW-RKQHYHRCSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC[N@H+]1C ZINC000903297329 584743086 /nfs/dbraw/zinc/74/30/86/584743086.db2.gz DXPSGEDCKNFOLW-RKQHYHRCSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC[N@@H+]1C ZINC000903300091 584744067 /nfs/dbraw/zinc/74/40/67/584744067.db2.gz FZVPWEWPRUDZDW-KSTCHIGDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC[N@H+]1C ZINC000903300091 584744068 /nfs/dbraw/zinc/74/40/68/584744068.db2.gz FZVPWEWPRUDZDW-KSTCHIGDSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC[N@@H+]1C ZINC000903300092 584744076 /nfs/dbraw/zinc/74/40/76/584744076.db2.gz FZVPWEWPRUDZDW-XVIXHAIJSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC[N@H+]1C ZINC000903300092 584744077 /nfs/dbraw/zinc/74/40/77/584744077.db2.gz FZVPWEWPRUDZDW-XVIXHAIJSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300819 584744202 /nfs/dbraw/zinc/74/42/02/584744202.db2.gz LRNSTEJVGBLFHI-IPYPFGDCSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300819 584744203 /nfs/dbraw/zinc/74/42/03/584744203.db2.gz LRNSTEJVGBLFHI-IPYPFGDCSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@@H+]1C ZINC000903301262 584744464 /nfs/dbraw/zinc/74/44/64/584744464.db2.gz PDGQLJPXBRGDAM-XKGSQUFQSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@H+]1C ZINC000903301262 584744465 /nfs/dbraw/zinc/74/44/65/584744465.db2.gz PDGQLJPXBRGDAM-XKGSQUFQSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301031 584744649 /nfs/dbraw/zinc/74/46/49/584744649.db2.gz NIYAKNCYZWZSSJ-OPRDCNLKSA-N 2 2 234.334 2.348 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C(F)F ZINC000903301031 584744651 /nfs/dbraw/zinc/74/46/51/584744651.db2.gz NIYAKNCYZWZSSJ-OPRDCNLKSA-N 2 2 234.334 2.348 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)c1ccncc1 ZINC000903302318 584744766 /nfs/dbraw/zinc/74/47/66/584744766.db2.gz ZAUGONOBPHBQMY-FPMFFAJLSA-N 2 2 233.359 2.215 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)c1ccncc1 ZINC000903302318 584744767 /nfs/dbraw/zinc/74/47/67/584744767.db2.gz ZAUGONOBPHBQMY-FPMFFAJLSA-N 2 2 233.359 2.215 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000903302138 584744812 /nfs/dbraw/zinc/74/48/12/584744812.db2.gz WTJDNLQCFGQKML-SCRDCRAPSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000903302138 584744813 /nfs/dbraw/zinc/74/48/13/584744813.db2.gz WTJDNLQCFGQKML-SCRDCRAPSA-N 2 2 233.359 2.133 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000903300900 584745053 /nfs/dbraw/zinc/74/50/53/584745053.db2.gz MVTCGYBJJZMHSC-PEBLQZBPSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000903300900 584745054 /nfs/dbraw/zinc/74/50/54/584745054.db2.gz MVTCGYBJJZMHSC-PEBLQZBPSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@@H+]1C ZINC000903301260 584745186 /nfs/dbraw/zinc/74/51/86/584745186.db2.gz PDGQLJPXBRGDAM-HBIQZDMRSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CCC(C(F)F)CC2)CC[N@H+]1C ZINC000903301260 584745188 /nfs/dbraw/zinc/74/51/88/584745188.db2.gz PDGQLJPXBRGDAM-HBIQZDMRSA-N 2 2 246.345 2.493 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)c1ccncc1 ZINC000903302320 584745269 /nfs/dbraw/zinc/74/52/69/584745269.db2.gz ZAUGONOBPHBQMY-UBHSHLNASA-N 2 2 233.359 2.215 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)c1ccncc1 ZINC000903302320 584745270 /nfs/dbraw/zinc/74/52/70/584745270.db2.gz ZAUGONOBPHBQMY-UBHSHLNASA-N 2 2 233.359 2.215 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000903302340 584745290 /nfs/dbraw/zinc/74/52/90/584745290.db2.gz ZRUSBKJRJHDZMP-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000903302340 584745291 /nfs/dbraw/zinc/74/52/91/584745291.db2.gz ZRUSBKJRJHDZMP-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC[N@@H+]1C ZINC000903302339 584745324 /nfs/dbraw/zinc/74/53/24/584745324.db2.gz ZRUSBKJRJHDZMP-FDYHWXHSSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC[N@H+]1C ZINC000903302339 584745326 /nfs/dbraw/zinc/74/53/26/584745326.db2.gz ZRUSBKJRJHDZMP-FDYHWXHSSA-N 2 2 224.392 2.493 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903344007 584752452 /nfs/dbraw/zinc/75/24/52/584752452.db2.gz MFBMLRXJQMIZGJ-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903344007 584752454 /nfs/dbraw/zinc/75/24/54/584752454.db2.gz MFBMLRXJQMIZGJ-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP CO[C@H]1CCC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000903427484 584761592 /nfs/dbraw/zinc/76/15/92/584761592.db2.gz GRMBTLCLYHKQKG-IHRRRGAJSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903435421 584762124 /nfs/dbraw/zinc/76/21/24/584762124.db2.gz SUVKUESSUGRPSB-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903435421 584762125 /nfs/dbraw/zinc/76/21/25/584762125.db2.gz SUVKUESSUGRPSB-TZMCWYRMSA-N 2 2 230.355 2.358 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000903439363 584762585 /nfs/dbraw/zinc/76/25/85/584762585.db2.gz HFXGCMMTXWWUNJ-AGIUHOORSA-N 2 2 240.416 2.098 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000903439363 584762587 /nfs/dbraw/zinc/76/25/87/584762587.db2.gz HFXGCMMTXWWUNJ-AGIUHOORSA-N 2 2 240.416 2.098 20 0 BEADLP CCSc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000903421681 584764109 /nfs/dbraw/zinc/76/41/09/584764109.db2.gz RAZDMHGYISJTRP-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP CCSc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000903421681 584764111 /nfs/dbraw/zinc/76/41/11/584764111.db2.gz RAZDMHGYISJTRP-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903424673 584764346 /nfs/dbraw/zinc/76/43/46/584764346.db2.gz BAEPSKAQSHBNDQ-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903424673 584764348 /nfs/dbraw/zinc/76/43/48/584764348.db2.gz BAEPSKAQSHBNDQ-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP CC(C)Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000903422604 584764612 /nfs/dbraw/zinc/76/46/12/584764612.db2.gz FWKQLENWUMLLBA-HNNXBMFYSA-N 2 2 232.371 2.418 20 0 BEADLP CC(C)Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000903422604 584764613 /nfs/dbraw/zinc/76/46/13/584764613.db2.gz FWKQLENWUMLLBA-HNNXBMFYSA-N 2 2 232.371 2.418 20 0 BEADLP Cc1ccc(F)c(C[NH2+]CC2([NH3+])CCC2)c1F ZINC000903447290 584770609 /nfs/dbraw/zinc/77/06/09/584770609.db2.gz NAPXQLBYWRIJSP-UHFFFAOYSA-N 2 2 240.297 2.244 20 0 BEADLP Cl/C=C/C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483098 584779486 /nfs/dbraw/zinc/77/94/86/584779486.db2.gz DHXAHTKQPAGCLS-HTZNOQTFSA-N 2 2 214.740 2.003 20 0 BEADLP CCC[N@H+](CC1CC(C)C1)[C@@H]1CC[NH2+]C1 ZINC000903716427 584791876 /nfs/dbraw/zinc/79/18/76/584791876.db2.gz MUGCHJDSPPSYJX-WXRRBKDZSA-N 2 2 210.365 2.106 20 0 BEADLP CCC[N@@H+](CC1CC(C)C1)[C@@H]1CC[NH2+]C1 ZINC000903716427 584791877 /nfs/dbraw/zinc/79/18/77/584791877.db2.gz MUGCHJDSPPSYJX-WXRRBKDZSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000903713112 584793835 /nfs/dbraw/zinc/79/38/35/584793835.db2.gz FHQCTDZKBDHZOO-CYBMUJFWSA-N 2 2 218.344 2.343 20 0 BEADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000903713112 584793836 /nfs/dbraw/zinc/79/38/36/584793836.db2.gz FHQCTDZKBDHZOO-CYBMUJFWSA-N 2 2 218.344 2.343 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000903753321 584796072 /nfs/dbraw/zinc/79/60/72/584796072.db2.gz TXRFXCKSRUSNHU-OSAQELSMSA-N 2 2 247.386 2.175 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1CF ZINC000903752783 584796234 /nfs/dbraw/zinc/79/62/34/584796234.db2.gz XDBZYXZXPVHCGH-GWCFXTLKSA-N 2 2 222.307 2.078 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1CF ZINC000903752783 584796235 /nfs/dbraw/zinc/79/62/35/584796235.db2.gz XDBZYXZXPVHCGH-GWCFXTLKSA-N 2 2 222.307 2.078 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1CF ZINC000903767402 584798160 /nfs/dbraw/zinc/79/81/60/584798160.db2.gz WNNFLFKQCOTWMO-UHFFFAOYSA-N 2 2 234.318 2.079 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1CF ZINC000903767402 584798161 /nfs/dbraw/zinc/79/81/61/584798161.db2.gz WNNFLFKQCOTWMO-UHFFFAOYSA-N 2 2 234.318 2.079 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CC1CCCC1 ZINC000903796521 584801034 /nfs/dbraw/zinc/80/10/34/584801034.db2.gz ADJMGRQOMXIAIX-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CC1CCCC1 ZINC000903796521 584801035 /nfs/dbraw/zinc/80/10/35/584801035.db2.gz ADJMGRQOMXIAIX-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CC1CC=CC1 ZINC000903801084 584801443 /nfs/dbraw/zinc/80/14/43/584801443.db2.gz KOGVPKAXAGLOEJ-UONOGXRCSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CC1CC=CC1 ZINC000903801084 584801444 /nfs/dbraw/zinc/80/14/44/584801444.db2.gz KOGVPKAXAGLOEJ-UONOGXRCSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903800424 584801719 /nfs/dbraw/zinc/80/17/19/584801719.db2.gz HOOLPXMQMOPXOH-AIEDFZFUSA-N 2 2 234.387 2.236 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903800424 584801720 /nfs/dbraw/zinc/80/17/20/584801720.db2.gz HOOLPXMQMOPXOH-AIEDFZFUSA-N 2 2 234.387 2.236 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCCC1CC1 ZINC000903803019 584802471 /nfs/dbraw/zinc/80/24/71/584802471.db2.gz VPXDIFHSUWNSLH-KGLIPLIRSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCCC1CC1 ZINC000903803019 584802472 /nfs/dbraw/zinc/80/24/72/584802472.db2.gz VPXDIFHSUWNSLH-KGLIPLIRSA-N 2 2 222.376 2.380 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000903822273 584803905 /nfs/dbraw/zinc/80/39/05/584803905.db2.gz YRLQXGQNUYDKPE-CYBMUJFWSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000903822936 584804367 /nfs/dbraw/zinc/80/43/67/584804367.db2.gz AGGBXRLYNSYIIP-CQSZACIVSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856425 584808771 /nfs/dbraw/zinc/80/87/71/584808771.db2.gz QWYWNCLFZNXYFE-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000903873403 584816065 /nfs/dbraw/zinc/81/60/65/584816065.db2.gz QGLXVNZQGGIREG-ONGXEEELSA-N 2 2 243.301 2.134 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000903873403 584816066 /nfs/dbraw/zinc/81/60/66/584816066.db2.gz QGLXVNZQGGIREG-ONGXEEELSA-N 2 2 243.301 2.134 20 0 BEADLP CC(C)Oc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960762 584828023 /nfs/dbraw/zinc/82/80/23/584828023.db2.gz YSFNXBPWNUQUJK-IUODEOHRSA-N 2 2 248.370 2.171 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000903960342 584828405 /nfs/dbraw/zinc/82/84/05/584828405.db2.gz FPWWLGPMLIJABG-IAQYHMDHSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1cc(NC[C@@H]([NH3+])CC(F)F)c[nH+]c1C ZINC000903947741 584829408 /nfs/dbraw/zinc/82/94/08/584829408.db2.gz GMTJQNXPMOOFRA-VIFPVBQESA-N 2 2 229.274 2.093 20 0 BEADLP Cc1cc(N[C@@H]2CCC[NH2+]CC2)c[nH+]c1C ZINC000903947984 584829432 /nfs/dbraw/zinc/82/94/32/584829432.db2.gz KBILAHCQENSQGY-GFCCVEGCSA-N 2 2 219.332 2.252 20 0 BEADLP F[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000903948549 584830426 /nfs/dbraw/zinc/83/04/26/584830426.db2.gz QNTKSSVHFJQUIQ-HUUCEWRRSA-N 2 2 248.345 2.354 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951469 584830659 /nfs/dbraw/zinc/83/06/59/584830659.db2.gz YHCVGEHTZBLYDE-SNVBAGLBSA-N 2 2 207.321 2.188 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950655 584830772 /nfs/dbraw/zinc/83/07/72/584830772.db2.gz PQVHCOOFERQRRK-QMMMGPOBSA-N 2 2 247.264 2.484 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950952 584830833 /nfs/dbraw/zinc/83/08/33/584830833.db2.gz UIABVZBKSZRQAU-JTQLQIEISA-N 2 2 247.367 2.446 20 0 BEADLP CCC[C@H](C)C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950977 584830851 /nfs/dbraw/zinc/83/08/51/584830851.db2.gz UROZDJWKZNYZAK-JTQLQIEISA-N 2 2 207.321 2.190 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963617 584833317 /nfs/dbraw/zinc/83/33/17/584833317.db2.gz CJOFWDRZLCXKQP-ZWNOBZJWSA-N 2 2 238.762 2.346 20 0 BEADLP CC1(C)C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1[NH3+] ZINC000903986484 584835352 /nfs/dbraw/zinc/83/53/52/584835352.db2.gz KMIWVXUJLHXNBT-KKUMJFAQSA-N 2 2 244.382 2.459 20 0 BEADLP CC1(C)C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1[NH3+] ZINC000903986484 584835353 /nfs/dbraw/zinc/83/53/53/584835353.db2.gz KMIWVXUJLHXNBT-KKUMJFAQSA-N 2 2 244.382 2.459 20 0 BEADLP CO[C@@H]1CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309243 584862434 /nfs/dbraw/zinc/86/24/34/584862434.db2.gz FEXXYYZSOQXYQG-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP CO[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309243 584862436 /nfs/dbraw/zinc/86/24/36/584862436.db2.gz FEXXYYZSOQXYQG-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP [NH3+][C@H]1C[C@@H](CNc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000904354470 584870399 /nfs/dbraw/zinc/87/03/99/584870399.db2.gz ZISJSWRPSYKBKL-KLPPZKSPSA-N 2 2 231.343 2.194 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000904371697 584873397 /nfs/dbraw/zinc/87/33/97/584873397.db2.gz RGWXKTGWIORKFV-SRVKXCTJSA-N 2 2 242.432 2.330 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000904371697 584873398 /nfs/dbraw/zinc/87/33/98/584873398.db2.gz RGWXKTGWIORKFV-SRVKXCTJSA-N 2 2 242.432 2.330 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904379757 584876881 /nfs/dbraw/zinc/87/68/81/584876881.db2.gz WBDBVDMJSPSNGM-MRVPVSSYSA-N 2 2 246.276 2.461 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000753734098 584905603 /nfs/dbraw/zinc/90/56/03/584905603.db2.gz RRPMVCQDCPIZCY-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000753734098 584905604 /nfs/dbraw/zinc/90/56/04/584905604.db2.gz RRPMVCQDCPIZCY-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000753734098 584905605 /nfs/dbraw/zinc/90/56/05/584905605.db2.gz RRPMVCQDCPIZCY-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP CCC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000753734098 584905606 /nfs/dbraw/zinc/90/56/06/584905606.db2.gz RRPMVCQDCPIZCY-STQMWFEESA-N 2 2 240.391 2.160 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000754130850 584913764 /nfs/dbraw/zinc/91/37/64/584913764.db2.gz SADXIEUJBBNYHZ-YPMHNXCESA-N 2 2 242.326 2.013 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccoc1 ZINC000734849603 584968942 /nfs/dbraw/zinc/96/89/42/584968942.db2.gz IFHDHXWGPLYTQK-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccoc1 ZINC000734849603 584968943 /nfs/dbraw/zinc/96/89/43/584968943.db2.gz IFHDHXWGPLYTQK-UHFFFAOYSA-N 2 2 210.321 2.053 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000756120896 585314591 /nfs/dbraw/zinc/31/45/91/585314591.db2.gz OCEVNLAVAVQCIK-FZMZJTMJSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000756120896 585314592 /nfs/dbraw/zinc/31/45/92/585314592.db2.gz OCEVNLAVAVQCIK-FZMZJTMJSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000756120894 585314669 /nfs/dbraw/zinc/31/46/69/585314669.db2.gz OCEVNLAVAVQCIK-BXUZGUMPSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000756120894 585314670 /nfs/dbraw/zinc/31/46/70/585314670.db2.gz OCEVNLAVAVQCIK-BXUZGUMPSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000756120161 585314790 /nfs/dbraw/zinc/31/47/90/585314790.db2.gz TVNMHWOOYVFZOO-UKRRQHHQSA-N 2 2 232.371 2.392 20 0 BEADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000756120161 585314791 /nfs/dbraw/zinc/31/47/91/585314791.db2.gz TVNMHWOOYVFZOO-UKRRQHHQSA-N 2 2 232.371 2.392 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000757641842 585343606 /nfs/dbraw/zinc/34/36/06/585343606.db2.gz IFVNJGUXNCSIEH-LLVKDONJSA-N 2 2 237.423 2.087 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000757641842 585343607 /nfs/dbraw/zinc/34/36/07/585343607.db2.gz IFVNJGUXNCSIEH-LLVKDONJSA-N 2 2 237.423 2.087 20 0 BEADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000759343110 585369611 /nfs/dbraw/zinc/36/96/11/585369611.db2.gz QFZDQQRDETTWSJ-CQSZACIVSA-N 2 2 242.382 2.400 20 0 BEADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000759343110 585369612 /nfs/dbraw/zinc/36/96/12/585369612.db2.gz QFZDQQRDETTWSJ-CQSZACIVSA-N 2 2 242.382 2.400 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccoc2)CC1 ZINC000763616966 585451249 /nfs/dbraw/zinc/45/12/49/585451249.db2.gz UGMDUHZQQSPGEC-ZDUSSCGKSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccoc2)CC1 ZINC000763616966 585451250 /nfs/dbraw/zinc/45/12/50/585451250.db2.gz UGMDUHZQQSPGEC-ZDUSSCGKSA-N 2 2 222.332 2.196 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000766247020 585499750 /nfs/dbraw/zinc/49/97/50/585499750.db2.gz LOYLJQOAVRIZCV-SNVBAGLBSA-N 2 2 247.264 2.076 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000766247020 585499751 /nfs/dbraw/zinc/49/97/51/585499751.db2.gz LOYLJQOAVRIZCV-SNVBAGLBSA-N 2 2 247.264 2.076 20 0 BEADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000767362592 585517821 /nfs/dbraw/zinc/51/78/21/585517821.db2.gz MMRBBADBPASEOY-JTQLQIEISA-N 2 2 233.315 2.271 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)o1 ZINC000767375126 585518560 /nfs/dbraw/zinc/51/85/60/585518560.db2.gz XOKGQSZNIOOLCG-HZMBPMFUSA-N 2 2 236.359 2.469 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)o1 ZINC000767375126 585518561 /nfs/dbraw/zinc/51/85/61/585518561.db2.gz XOKGQSZNIOOLCG-HZMBPMFUSA-N 2 2 236.359 2.469 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704652 585542039 /nfs/dbraw/zinc/54/20/39/585542039.db2.gz BSMRJUYJHVLQGB-ANONENCNSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704652 585542040 /nfs/dbraw/zinc/54/20/40/585542040.db2.gz BSMRJUYJHVLQGB-ANONENCNSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)C[N@@H+]1C1CC1 ZINC000768708259 585542125 /nfs/dbraw/zinc/54/21/25/585542125.db2.gz WJGQTWDFCOFGOJ-PMUOWJKOSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CC(C(F)F)C2)C[N@H+]1C1CC1 ZINC000768708259 585542126 /nfs/dbraw/zinc/54/21/26/585542126.db2.gz WJGQTWDFCOFGOJ-PMUOWJKOSA-N 2 2 244.329 2.245 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000775307327 585675143 /nfs/dbraw/zinc/67/51/43/585675143.db2.gz HNDWJECFTDQIHN-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000775307327 585675144 /nfs/dbraw/zinc/67/51/44/585675144.db2.gz HNDWJECFTDQIHN-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000777128419 585708720 /nfs/dbraw/zinc/70/87/20/585708720.db2.gz ANHJDGZXYDVUAB-MIBAYGRRSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000777128419 585708721 /nfs/dbraw/zinc/70/87/21/585708721.db2.gz ANHJDGZXYDVUAB-MIBAYGRRSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000777128421 585708855 /nfs/dbraw/zinc/70/88/55/585708855.db2.gz ANHJDGZXYDVUAB-OGMFBOKVSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000777128421 585708856 /nfs/dbraw/zinc/70/88/56/585708856.db2.gz ANHJDGZXYDVUAB-OGMFBOKVSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@H](C1CC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000777841427 585721281 /nfs/dbraw/zinc/72/12/81/585721281.db2.gz MJNAQGXRSIYUMK-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](C1CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000777841427 585721282 /nfs/dbraw/zinc/72/12/82/585721282.db2.gz MJNAQGXRSIYUMK-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CCCCO)[NH+]1CCCCC1 ZINC000779019786 585743891 /nfs/dbraw/zinc/74/38/91/585743891.db2.gz NSUQUZDMKKHLRX-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP c1cncc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)c1 ZINC000782531597 585819508 /nfs/dbraw/zinc/81/95/08/585819508.db2.gz BQJVUHGACYPGJG-HNNXBMFYSA-N 2 2 245.370 2.218 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000783211550 585831011 /nfs/dbraw/zinc/83/10/11/585831011.db2.gz MKXCHWQIRSUJHZ-WCQYABFASA-N 2 2 242.326 2.155 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000783209098 585831018 /nfs/dbraw/zinc/83/10/18/585831018.db2.gz AYPRHWJFCNIYPQ-AAEUAGOBSA-N 2 2 242.326 2.155 20 0 BEADLP Cc1ccc(CCC[NH2+][C@](C)(CO)C2CC2)c[nH+]1 ZINC000793052434 586009005 /nfs/dbraw/zinc/00/90/05/586009005.db2.gz UTHHOGJTROFJDL-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP CCc1nc(NCC[N@@H+]2CCC[C@H]2C)cc(C)[nH+]1 ZINC000804522513 586398064 /nfs/dbraw/zinc/39/80/64/586398064.db2.gz ULQZRCHKAHBODW-GFCCVEGCSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(NCC[N@H+]2CCC[C@H]2C)cc(C)[nH+]1 ZINC000804522513 586398066 /nfs/dbraw/zinc/39/80/66/586398066.db2.gz ULQZRCHKAHBODW-GFCCVEGCSA-N 2 2 248.374 2.244 20 0 BEADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000815575908 586687839 /nfs/dbraw/zinc/68/78/39/586687839.db2.gz DVOOACYDRUJFHR-DGCLKSJQSA-N 2 2 236.334 2.489 20 0 BEADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000815575908 586687840 /nfs/dbraw/zinc/68/78/40/586687840.db2.gz DVOOACYDRUJFHR-DGCLKSJQSA-N 2 2 236.334 2.489 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000816649222 586751614 /nfs/dbraw/zinc/75/16/14/586751614.db2.gz VYKYJKRIDQJMCD-MNOVXSKESA-N 2 2 215.300 2.175 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000816649222 586751616 /nfs/dbraw/zinc/75/16/16/586751616.db2.gz VYKYJKRIDQJMCD-MNOVXSKESA-N 2 2 215.300 2.175 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817897312 586834634 /nfs/dbraw/zinc/83/46/34/586834634.db2.gz JXJXRJUVZYGWBN-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]([NH2+]CCNc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817901155 586836500 /nfs/dbraw/zinc/83/65/00/586836500.db2.gz SSTXWFVPIILXRU-HIFRSBDPSA-N 2 2 247.386 2.219 20 0 BEADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000817944720 586846522 /nfs/dbraw/zinc/84/65/22/586846522.db2.gz KIBGZJOCSPALIH-OLZOCXBDSA-N 2 2 248.370 2.325 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccnc1Cl ZINC000817957760 586850322 /nfs/dbraw/zinc/85/03/22/586850322.db2.gz DQXLDDGUWUOVDC-KOLCDFICSA-N 2 2 241.766 2.369 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)nc1 ZINC000817959746 586851918 /nfs/dbraw/zinc/85/19/18/586851918.db2.gz IDNROKIADGFTNC-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817965443 586853853 /nfs/dbraw/zinc/85/38/53/586853853.db2.gz QLRXLJHNVIKHFS-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccnc1Cl ZINC000817965750 586855648 /nfs/dbraw/zinc/85/56/48/586855648.db2.gz UVXWFEWIEVPDRV-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000817970643 586858146 /nfs/dbraw/zinc/85/81/46/586858146.db2.gz BHFDAIUVSYALFZ-LDYMZIIASA-N 2 2 240.347 2.299 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976495 586860358 /nfs/dbraw/zinc/86/03/58/586860358.db2.gz MBCFTVROQUTBTJ-KCQAQPDRSA-N 2 2 248.345 2.272 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000817977106 586860739 /nfs/dbraw/zinc/86/07/39/586860739.db2.gz BJJSUSNAPKBWBI-CIUDSAMLSA-N 2 2 227.739 2.121 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817977736 586862020 /nfs/dbraw/zinc/86/20/20/586862020.db2.gz NWGKWNAWUMLASK-HLTSFMKQSA-N 2 2 227.739 2.121 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817980206 586862099 /nfs/dbraw/zinc/86/20/99/586862099.db2.gz SHXDYGPRUDZLPT-SCZZXKLOSA-N 2 2 227.739 2.123 20 0 BEADLP CC(C)(C)SCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000821270166 587104478 /nfs/dbraw/zinc/10/44/78/587104478.db2.gz KJQOMJKUSYNKMI-UHFFFAOYSA-N 2 2 239.388 2.230 20 0 BEADLP CC(C)(C)SCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000821270166 587104479 /nfs/dbraw/zinc/10/44/79/587104479.db2.gz KJQOMJKUSYNKMI-UHFFFAOYSA-N 2 2 239.388 2.230 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000823812353 587241183 /nfs/dbraw/zinc/24/11/83/587241183.db2.gz IKZTVTQABZFWDC-HOTGVXAUSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000823812353 587241185 /nfs/dbraw/zinc/24/11/85/587241185.db2.gz IKZTVTQABZFWDC-HOTGVXAUSA-N 2 2 244.382 2.228 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC000824097682 587255192 /nfs/dbraw/zinc/25/51/92/587255192.db2.gz CULPSRNDERORJX-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)CCO1 ZINC000824097682 587255193 /nfs/dbraw/zinc/25/51/93/587255193.db2.gz CULPSRNDERORJX-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824764789 587286349 /nfs/dbraw/zinc/28/63/49/587286349.db2.gz DMNFFVRGRXGQEX-VIFPVBQESA-N 2 2 248.157 2.094 20 0 BEADLP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc[nH+]c1 ZINC000828109525 587419756 /nfs/dbraw/zinc/41/97/56/587419756.db2.gz KGFGUFOGCCYSHQ-LBPRGKRZSA-N 2 2 207.321 2.146 20 0 BEADLP CC(C)[N@H+]1CCCC[C@H]1Cn1cc[nH+]c1 ZINC000828109525 587419757 /nfs/dbraw/zinc/41/97/57/587419757.db2.gz KGFGUFOGCCYSHQ-LBPRGKRZSA-N 2 2 207.321 2.146 20 0 BEADLP c1ccc2ncc(C[NH2+]C[C@@H]3CCC[NH2+]3)cc2c1 ZINC000841037098 587937527 /nfs/dbraw/zinc/93/75/27/587937527.db2.gz YPQSFHLOUAALCX-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP COc1cc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)ccc1[NH3+] ZINC000841041479 587938277 /nfs/dbraw/zinc/93/82/77/587938277.db2.gz HPHLQDXTAZZSQV-QWRGUYRKSA-N 2 2 249.358 2.220 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841038813 587938347 /nfs/dbraw/zinc/93/83/47/587938347.db2.gz QXHUZRZGWYSNGL-NSHDSACASA-N 2 2 241.766 2.198 20 0 BEADLP CC[C@@H](C)C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841054874 587940571 /nfs/dbraw/zinc/94/05/71/587940571.db2.gz PGMKWHVTLRBQAN-LLVKDONJSA-N 2 2 222.332 2.482 20 0 BEADLP COc1cccc2cc(C[NH2+][C@H](C)[C@H](C)[NH3+])oc21 ZINC000841077033 587943995 /nfs/dbraw/zinc/94/39/95/587943995.db2.gz XAYVSBISMSGSSA-VHSXEESVSA-N 2 2 248.326 2.267 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000841072984 587944112 /nfs/dbraw/zinc/94/41/12/587944112.db2.gz TYSJNKYGLYXQKL-LLVKDONJSA-N 2 2 248.326 2.268 20 0 BEADLP COc1cccc2cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])oc21 ZINC000841077034 587944150 /nfs/dbraw/zinc/94/41/50/587944150.db2.gz XAYVSBISMSGSSA-ZJUUUORDSA-N 2 2 248.326 2.267 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)nc1 ZINC000841088103 587945623 /nfs/dbraw/zinc/94/56/23/587945623.db2.gz XJENEZNBRBGPKJ-JTQLQIEISA-N 2 2 241.766 2.198 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccnc1Cl ZINC000841087663 587945665 /nfs/dbraw/zinc/94/56/65/587945665.db2.gz PKPQVPYNYKFRKV-JTQLQIEISA-N 2 2 241.766 2.198 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000842474875 588028800 /nfs/dbraw/zinc/02/88/00/588028800.db2.gz DGWPHWYDLCIUFP-NSHDSACASA-N 2 2 241.766 2.198 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)no1 ZINC000843060060 588078089 /nfs/dbraw/zinc/07/80/89/588078089.db2.gz AYEXIBNYRJCFMR-TZMCWYRMSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)no1 ZINC000843060060 588078092 /nfs/dbraw/zinc/07/80/92/588078092.db2.gz AYEXIBNYRJCFMR-TZMCWYRMSA-N 2 2 249.358 2.120 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(Cl)n1 ZINC000843355148 588103004 /nfs/dbraw/zinc/10/30/04/588103004.db2.gz CLWDLJQQTJUXTG-LBPRGKRZSA-N 2 2 241.766 2.198 20 0 BEADLP C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000848568431 588398426 /nfs/dbraw/zinc/39/84/26/588398426.db2.gz IGBMQUBXCOPNJJ-OLZOCXBDSA-N 2 2 208.349 2.145 20 0 BEADLP C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000848568431 588398428 /nfs/dbraw/zinc/39/84/28/588398428.db2.gz IGBMQUBXCOPNJJ-OLZOCXBDSA-N 2 2 208.349 2.145 20 0 BEADLP Cc1[nH]c(CNc2cccc(N(C)C)[nH+]2)[nH+]c1C ZINC000850242640 588531442 /nfs/dbraw/zinc/53/14/42/588531442.db2.gz XXKHRDUPAHFEHF-UHFFFAOYSA-N 2 2 245.330 2.100 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000850439223 588546528 /nfs/dbraw/zinc/54/65/28/588546528.db2.gz MDVOCWRGJOOVPG-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCSCC1 ZINC000850439223 588546530 /nfs/dbraw/zinc/54/65/30/588546530.db2.gz MDVOCWRGJOOVPG-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000850439224 588546578 /nfs/dbraw/zinc/54/65/78/588546578.db2.gz MDVOCWRGJOOVPG-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCSCC1 ZINC000850439224 588546580 /nfs/dbraw/zinc/54/65/80/588546580.db2.gz MDVOCWRGJOOVPG-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000850544235 588559426 /nfs/dbraw/zinc/55/94/26/588559426.db2.gz UVGKAWASYYKWJB-MELADBBJSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000862295367 589200562 /nfs/dbraw/zinc/20/05/62/589200562.db2.gz DJBYFOWSGPGTQV-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@@]1(C)CCCS1 ZINC000862295367 589200563 /nfs/dbraw/zinc/20/05/63/589200563.db2.gz DJBYFOWSGPGTQV-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000862540472 589218587 /nfs/dbraw/zinc/21/85/87/589218587.db2.gz GBGBDVIBJQWYII-HDJSIYSDSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000863569650 589300444 /nfs/dbraw/zinc/30/04/44/589300444.db2.gz ZCQJDDBDUGZHRF-QMTHXVAHSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000863569650 589300445 /nfs/dbraw/zinc/30/04/45/589300445.db2.gz ZCQJDDBDUGZHRF-QMTHXVAHSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000863569794 589300860 /nfs/dbraw/zinc/30/08/60/589300860.db2.gz PLKXKCCCDICOQF-RNCFNFMXSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000863569794 589300861 /nfs/dbraw/zinc/30/08/61/589300861.db2.gz PLKXKCCCDICOQF-RNCFNFMXSA-N 2 2 222.307 2.092 20 0 BEADLP CCC(CC)NC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000864461629 589369097 /nfs/dbraw/zinc/36/90/97/589369097.db2.gz REZDJXYXNNZWJQ-UHFFFAOYSA-N 2 2 248.374 2.235 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000866243028 589482388 /nfs/dbraw/zinc/48/23/88/589482388.db2.gz VOIZCVLCKKYLPG-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000866243028 589482389 /nfs/dbraw/zinc/48/23/89/589482389.db2.gz VOIZCVLCKKYLPG-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585997 589501689 /nfs/dbraw/zinc/50/16/89/589501689.db2.gz ZAKKKNFTQVFPPB-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000866585997 589501691 /nfs/dbraw/zinc/50/16/91/589501691.db2.gz ZAKKKNFTQVFPPB-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866585997 589501693 /nfs/dbraw/zinc/50/16/93/589501693.db2.gz ZAKKKNFTQVFPPB-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866585997 589501695 /nfs/dbraw/zinc/50/16/95/589501695.db2.gz ZAKKKNFTQVFPPB-BPLDGKMQSA-N 2 2 245.370 2.169 20 0 BEADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000866664914 589509494 /nfs/dbraw/zinc/50/94/94/589509494.db2.gz PVDGZAUKQQQCMQ-CYBMUJFWSA-N 2 2 249.358 2.255 20 0 BEADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000866664914 589509495 /nfs/dbraw/zinc/50/94/95/589509495.db2.gz PVDGZAUKQQQCMQ-CYBMUJFWSA-N 2 2 249.358 2.255 20 0 BEADLP [NH3+]CCCCCCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000866671696 589510830 /nfs/dbraw/zinc/51/08/30/589510830.db2.gz YLVZRVORNFAXNO-CQSZACIVSA-N 3 2 241.423 2.099 20 0 BEADLP [NH3+]CCCCCCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000866671696 589510832 /nfs/dbraw/zinc/51/08/32/589510832.db2.gz YLVZRVORNFAXNO-CQSZACIVSA-N 3 2 241.423 2.099 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC1CCCCCC1 ZINC000866682603 589511382 /nfs/dbraw/zinc/51/13/82/589511382.db2.gz LIQKSHRKWQAMPN-CHWSQXEVSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOC1CCCCCC1 ZINC000866682603 589511383 /nfs/dbraw/zinc/51/13/83/589511383.db2.gz LIQKSHRKWQAMPN-CHWSQXEVSA-N 2 2 240.391 2.147 20 0 BEADLP Cc1ccccc1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720601 589514891 /nfs/dbraw/zinc/51/48/91/589514891.db2.gz GSADHQQOYLTHPX-GJZGRUSLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccccc1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866720601 589514892 /nfs/dbraw/zinc/51/48/92/589514892.db2.gz GSADHQQOYLTHPX-GJZGRUSLSA-N 2 2 230.355 2.321 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724249 589515932 /nfs/dbraw/zinc/51/59/32/589515932.db2.gz MBQXGFORWAKRCB-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866724249 589515934 /nfs/dbraw/zinc/51/59/34/589515934.db2.gz MBQXGFORWAKRCB-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP c1csc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866723109 589516054 /nfs/dbraw/zinc/51/60/54/589516054.db2.gz DIUVNPCGKAXNAR-CHWSQXEVSA-N 2 2 236.384 2.117 20 0 BEADLP c1csc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866723109 589516055 /nfs/dbraw/zinc/51/60/55/589516055.db2.gz DIUVNPCGKAXNAR-CHWSQXEVSA-N 2 2 236.384 2.117 20 0 BEADLP C(CC1CCC1)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866726117 589516321 /nfs/dbraw/zinc/51/63/21/589516321.db2.gz XWDDBTKRPTVYMD-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CCC1)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866726117 589516323 /nfs/dbraw/zinc/51/63/23/589516323.db2.gz XWDDBTKRPTVYMD-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CCCOC1 ZINC000872016327 589856125 /nfs/dbraw/zinc/85/61/25/589856125.db2.gz IKAIZSXSSSGORO-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872038558 589859039 /nfs/dbraw/zinc/85/90/39/589859039.db2.gz MOBXRLMXMQHXCW-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872038558 589859042 /nfs/dbraw/zinc/85/90/42/589859042.db2.gz MOBXRLMXMQHXCW-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872070931 589864308 /nfs/dbraw/zinc/86/43/08/589864308.db2.gz JEZSRMBQAZGIJZ-XQQFMLRXSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872070932 589864464 /nfs/dbraw/zinc/86/44/64/589864464.db2.gz JEZSRMBQAZGIJZ-YNEHKIRRSA-N 2 2 242.407 2.120 20 0 BEADLP C[N@H+](Cc1cc(C(F)(F)F)co1)C1CC([NH3+])C1 ZINC000872143405 589882959 /nfs/dbraw/zinc/88/29/59/589882959.db2.gz RRBDOGASGGVYAK-UHFFFAOYSA-N 2 2 248.248 2.220 20 0 BEADLP C[N@@H+](Cc1cc(C(F)(F)F)co1)C1CC([NH3+])C1 ZINC000872143405 589882960 /nfs/dbraw/zinc/88/29/60/589882960.db2.gz RRBDOGASGGVYAK-UHFFFAOYSA-N 2 2 248.248 2.220 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1scnc1Cl ZINC000872145347 589884103 /nfs/dbraw/zinc/88/41/03/589884103.db2.gz RMDDHEGCABVHIG-HTQZYQBOSA-N 2 2 245.779 2.156 20 0 BEADLP CC(C)Cc1cc(N[C@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000872782645 589969831 /nfs/dbraw/zinc/96/98/31/589969831.db2.gz MTHQLQZAQPXEAM-LBPRGKRZSA-N 2 2 248.374 2.229 20 0 BEADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccon1 ZINC000873023338 589979970 /nfs/dbraw/zinc/97/99/70/589979970.db2.gz YVGGGMFMYMGARO-GFCCVEGCSA-N 2 2 248.330 2.076 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000873131362 589985747 /nfs/dbraw/zinc/98/57/47/589985747.db2.gz OAIMCMARYMLPOK-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc([NH2+]C[C@@H](C[NH3+])C(C)C)ccc1N ZINC000873212112 589996510 /nfs/dbraw/zinc/99/65/10/589996510.db2.gz IPFZFLHEHQPQDF-LLVKDONJSA-N 2 2 221.348 2.220 20 0 BEADLP [NH3+]CCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000873220876 589999805 /nfs/dbraw/zinc/99/98/05/589999805.db2.gz ZJOTYWLXSMGLEQ-AWEZNQCLSA-N 2 2 236.334 2.296 20 0 BEADLP [NH3+]CCC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000873220876 589999807 /nfs/dbraw/zinc/99/98/07/589999807.db2.gz ZJOTYWLXSMGLEQ-AWEZNQCLSA-N 2 2 236.334 2.296 20 0 BEADLP Cc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230221 590001912 /nfs/dbraw/zinc/00/19/12/590001912.db2.gz NPFTYUHDHPGFSL-GJZGRUSLSA-N 2 2 230.355 2.369 20 0 BEADLP COc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230200 590001976 /nfs/dbraw/zinc/00/19/76/590001976.db2.gz NJOVYLZPNLCUDU-CABCVRRESA-N 2 2 246.354 2.069 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125762 590076512 /nfs/dbraw/zinc/07/65/12/590076512.db2.gz FHGQRKPPLGFPCW-NSHDSACASA-N 2 2 200.370 2.351 20 0 BEADLP CCCCCC[C@H](C)[NH2+]CC[NH+](C)C ZINC000020361360 590103971 /nfs/dbraw/zinc/10/39/71/590103971.db2.gz BSAAQNBLPJSEPF-LBPRGKRZSA-N 2 2 200.370 2.497 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CC)OC ZINC000876882028 590252767 /nfs/dbraw/zinc/25/27/67/590252767.db2.gz XPVXHUXSDOATPF-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC)OC ZINC000876882028 590252769 /nfs/dbraw/zinc/25/27/69/590252769.db2.gz XPVXHUXSDOATPF-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H](C[NH2+]CCC[C@H]1CCO1)[NH+]1CCCCC1 ZINC000876957035 590259907 /nfs/dbraw/zinc/25/99/07/590259907.db2.gz RKSDCLAZRQSBGV-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1CC1(F)F ZINC000877152490 590292759 /nfs/dbraw/zinc/29/27/59/590292759.db2.gz AEPBVNFXNJQISM-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1CC1(F)F ZINC000877152490 590292760 /nfs/dbraw/zinc/29/27/60/590292760.db2.gz AEPBVNFXNJQISM-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)OC ZINC000877152963 590292882 /nfs/dbraw/zinc/29/28/82/590292882.db2.gz DFIOKEHWIMAXLY-MJBXVCDLSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)OC ZINC000877152963 590292883 /nfs/dbraw/zinc/29/28/83/590292883.db2.gz DFIOKEHWIMAXLY-MJBXVCDLSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H](C)C[NH+](C)C)c1 ZINC000877524246 590347236 /nfs/dbraw/zinc/34/72/36/590347236.db2.gz UMKPXWCRZVNJCW-AWEZNQCLSA-N 2 2 234.387 2.386 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC000877706773 590397638 /nfs/dbraw/zinc/39/76/38/590397638.db2.gz RZBYHRIPBRDUPM-HNNXBMFYSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c(C)o1 ZINC000877706773 590397641 /nfs/dbraw/zinc/39/76/41/590397641.db2.gz RZBYHRIPBRDUPM-HNNXBMFYSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744390 590411951 /nfs/dbraw/zinc/41/19/51/590411951.db2.gz SIKXXHQRJZEDSX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744390 590411954 /nfs/dbraw/zinc/41/19/54/590411954.db2.gz SIKXXHQRJZEDSX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744390 590411956 /nfs/dbraw/zinc/41/19/56/590411956.db2.gz SIKXXHQRJZEDSX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744390 590411958 /nfs/dbraw/zinc/41/19/58/590411958.db2.gz SIKXXHQRJZEDSX-QWHCGFSZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)o1 ZINC000877743386 590412053 /nfs/dbraw/zinc/41/20/53/590412053.db2.gz KHSULAWGQFYQAU-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)o1 ZINC000877743386 590412055 /nfs/dbraw/zinc/41/20/55/590412055.db2.gz KHSULAWGQFYQAU-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877743386 590412058 /nfs/dbraw/zinc/41/20/58/590412058.db2.gz KHSULAWGQFYQAU-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC000877743386 590412060 /nfs/dbraw/zinc/41/20/60/590412060.db2.gz KHSULAWGQFYQAU-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000878252268 590529657 /nfs/dbraw/zinc/52/96/57/590529657.db2.gz GXAHKLUQGCYABN-RWMBFGLXSA-N 2 2 249.358 2.014 20 0 BEADLP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000878252268 590529659 /nfs/dbraw/zinc/52/96/59/590529659.db2.gz GXAHKLUQGCYABN-RWMBFGLXSA-N 2 2 249.358 2.014 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)C2(C)C)c(C)[nH+]1 ZINC000878635078 590598183 /nfs/dbraw/zinc/59/81/83/590598183.db2.gz QUNOXTFVZCSXNW-CQSZACIVSA-N 2 2 248.370 2.352 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](O)C2(C)C)c(C)[nH+]1 ZINC000878635078 590598184 /nfs/dbraw/zinc/59/81/84/590598184.db2.gz QUNOXTFVZCSXNW-CQSZACIVSA-N 2 2 248.370 2.352 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC000879577170 590803239 /nfs/dbraw/zinc/80/32/39/590803239.db2.gz HDLOSYDDLBSNQZ-SZAMVBNTSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC000879577170 590803242 /nfs/dbraw/zinc/80/32/42/590803242.db2.gz HDLOSYDDLBSNQZ-SZAMVBNTSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC000879577170 590803245 /nfs/dbraw/zinc/80/32/45/590803245.db2.gz HDLOSYDDLBSNQZ-SZAMVBNTSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]21 ZINC000879577170 590803249 /nfs/dbraw/zinc/80/32/49/590803249.db2.gz HDLOSYDDLBSNQZ-SZAMVBNTSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccccc1 ZINC000880130224 590931950 /nfs/dbraw/zinc/93/19/50/590931950.db2.gz NGBXXAYIOUPBJW-HUUCEWRRSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccccc1 ZINC000880130224 590931955 /nfs/dbraw/zinc/93/19/55/590931955.db2.gz NGBXXAYIOUPBJW-HUUCEWRRSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000880130224 590931957 /nfs/dbraw/zinc/93/19/57/590931957.db2.gz NGBXXAYIOUPBJW-HUUCEWRRSA-N 2 2 230.355 2.355 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000880130224 590931962 /nfs/dbraw/zinc/93/19/62/590931962.db2.gz NGBXXAYIOUPBJW-HUUCEWRRSA-N 2 2 230.355 2.355 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132505 590933846 /nfs/dbraw/zinc/93/38/46/590933846.db2.gz POIUATXBLRUSTJ-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccc(F)cc1 ZINC000880132505 590933849 /nfs/dbraw/zinc/93/38/49/590933849.db2.gz POIUATXBLRUSTJ-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000880132505 590933852 /nfs/dbraw/zinc/93/38/52/590933852.db2.gz POIUATXBLRUSTJ-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000880132505 590933854 /nfs/dbraw/zinc/93/38/54/590933854.db2.gz POIUATXBLRUSTJ-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880132710 590933969 /nfs/dbraw/zinc/93/39/69/590933969.db2.gz QZQWZFGKQQKKHJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132710 590933970 /nfs/dbraw/zinc/93/39/70/590933970.db2.gz QZQWZFGKQQKKHJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132710 590933972 /nfs/dbraw/zinc/93/39/72/590933972.db2.gz QZQWZFGKQQKKHJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 0 BEADLP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880132710 590933973 /nfs/dbraw/zinc/93/39/73/590933973.db2.gz QZQWZFGKQQKKHJ-OLZOCXBDSA-N 2 2 208.349 2.121 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000880132257 590935685 /nfs/dbraw/zinc/93/56/85/590935685.db2.gz LCUIAVPQTZXOLO-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000880132257 590935688 /nfs/dbraw/zinc/93/56/88/590935688.db2.gz LCUIAVPQTZXOLO-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)n1 ZINC000880132257 590935690 /nfs/dbraw/zinc/93/56/90/590935690.db2.gz LCUIAVPQTZXOLO-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)n1 ZINC000880132257 590935692 /nfs/dbraw/zinc/93/56/92/590935692.db2.gz LCUIAVPQTZXOLO-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880135859 590936249 /nfs/dbraw/zinc/93/62/49/590936249.db2.gz BACSGGKFKYOWNM-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880135859 590936250 /nfs/dbraw/zinc/93/62/50/590936250.db2.gz BACSGGKFKYOWNM-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880135859 590936252 /nfs/dbraw/zinc/93/62/52/590936252.db2.gz BACSGGKFKYOWNM-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880135859 590936254 /nfs/dbraw/zinc/93/62/54/590936254.db2.gz BACSGGKFKYOWNM-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP CC(C)SCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140826 590940126 /nfs/dbraw/zinc/94/01/26/590940126.db2.gz DGDBZRCPQWJYSK-CHWSQXEVSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140826 590940127 /nfs/dbraw/zinc/94/01/27/590940127.db2.gz DGDBZRCPQWJYSK-CHWSQXEVSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140826 590940128 /nfs/dbraw/zinc/94/01/28/590940128.db2.gz DGDBZRCPQWJYSK-CHWSQXEVSA-N 2 2 242.432 2.297 20 0 BEADLP CC(C)SCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140826 590940130 /nfs/dbraw/zinc/94/01/30/590940130.db2.gz DGDBZRCPQWJYSK-CHWSQXEVSA-N 2 2 242.432 2.297 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cn1 ZINC000880142773 590942537 /nfs/dbraw/zinc/94/25/37/590942537.db2.gz UHXCPAJRWRCHQT-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cn1 ZINC000880142773 590942538 /nfs/dbraw/zinc/94/25/38/590942538.db2.gz UHXCPAJRWRCHQT-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cn1 ZINC000880142773 590942539 /nfs/dbraw/zinc/94/25/39/590942539.db2.gz UHXCPAJRWRCHQT-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cn1 ZINC000880142773 590942540 /nfs/dbraw/zinc/94/25/40/590942540.db2.gz UHXCPAJRWRCHQT-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC=CC1 ZINC000880142740 590942634 /nfs/dbraw/zinc/94/26/34/590942634.db2.gz UAFKDBGJVIWKHD-KBPBESRZSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC=CC1 ZINC000880142740 590942635 /nfs/dbraw/zinc/94/26/35/590942635.db2.gz UAFKDBGJVIWKHD-KBPBESRZSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC=CC1 ZINC000880142740 590942637 /nfs/dbraw/zinc/94/26/37/590942637.db2.gz UAFKDBGJVIWKHD-KBPBESRZSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC=CC1 ZINC000880142740 590942638 /nfs/dbraw/zinc/94/26/38/590942638.db2.gz UAFKDBGJVIWKHD-KBPBESRZSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141947 590943241 /nfs/dbraw/zinc/94/32/41/590943241.db2.gz LDNRAUPNJKVKHT-VXGBXAGGSA-N 2 2 244.329 2.200 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC(F)(F)C1 ZINC000880141947 590943242 /nfs/dbraw/zinc/94/32/42/590943242.db2.gz LDNRAUPNJKVKHT-VXGBXAGGSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC(F)(F)C1 ZINC000880141947 590943243 /nfs/dbraw/zinc/94/32/43/590943243.db2.gz LDNRAUPNJKVKHT-VXGBXAGGSA-N 2 2 244.329 2.200 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC(F)(F)C1 ZINC000880141947 590943244 /nfs/dbraw/zinc/94/32/44/590943244.db2.gz LDNRAUPNJKVKHT-VXGBXAGGSA-N 2 2 244.329 2.200 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)ccn1 ZINC000880143165 590944568 /nfs/dbraw/zinc/94/45/68/590944568.db2.gz YTDBHDUPUMYOFU-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)ccn1 ZINC000880143165 590944570 /nfs/dbraw/zinc/94/45/70/590944570.db2.gz YTDBHDUPUMYOFU-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)ccn1 ZINC000880143165 590944572 /nfs/dbraw/zinc/94/45/72/590944572.db2.gz YTDBHDUPUMYOFU-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)ccn1 ZINC000880143165 590944575 /nfs/dbraw/zinc/94/45/75/590944575.db2.gz YTDBHDUPUMYOFU-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1nocc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474090 591053764 /nfs/dbraw/zinc/05/37/64/591053764.db2.gz DKLOEDYNKBRMNF-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000211491284 591174471 /nfs/dbraw/zinc/17/44/71/591174471.db2.gz ZTHHDIVOPLDQQO-IUODEOHRSA-N 2 2 230.355 2.401 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000211491284 591174474 /nfs/dbraw/zinc/17/44/74/591174474.db2.gz ZTHHDIVOPLDQQO-IUODEOHRSA-N 2 2 230.355 2.401 20 0 BEADLP Cc1[nH+]cnc(NCCC[NH+]2CCCCC2)c1C ZINC000881775896 591270118 /nfs/dbraw/zinc/27/01/18/591270118.db2.gz QYEJKUSCTXVWAP-UHFFFAOYSA-N 2 2 248.374 2.381 20 0 BEADLP Cc1[nH+]cnc(NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000881824879 591272812 /nfs/dbraw/zinc/27/28/12/591272812.db2.gz YMGZEVSYHLDQEG-NSHDSACASA-N 2 2 248.374 2.237 20 0 BEADLP CCC[N@@H+]1CC[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881838516 591273596 /nfs/dbraw/zinc/27/35/96/591273596.db2.gz VTPSEUVEKXHWHV-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP CCC[N@H+]1CC[C@H](CNc2nc[nH+]c(C)c2C)C1 ZINC000881838516 591273597 /nfs/dbraw/zinc/27/35/97/591273597.db2.gz VTPSEUVEKXHWHV-CYBMUJFWSA-N 2 2 248.374 2.237 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)C2 ZINC000883122290 591543669 /nfs/dbraw/zinc/54/36/69/591543669.db2.gz HFDVGDVLORIOAS-QNWHQSFQSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883122290 591543671 /nfs/dbraw/zinc/54/36/71/591543671.db2.gz HFDVGDVLORIOAS-QNWHQSFQSA-N 2 2 245.370 2.435 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883266017 591601327 /nfs/dbraw/zinc/60/13/27/591601327.db2.gz QFPOZJYONYKGHC-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1CCCC1(F)F ZINC000883266017 591601328 /nfs/dbraw/zinc/60/13/28/591601328.db2.gz QFPOZJYONYKGHC-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccc(O)c1)Cn1cc[nH+]c1 ZINC000131440333 591608829 /nfs/dbraw/zinc/60/88/29/591608829.db2.gz DWTHDAGMPMFHTC-LBPRGKRZSA-N 2 2 245.326 2.015 20 0 BEADLP Cc1cc(N[C@@H]2C[N@@H+](C)C[C@@H]2C)c[nH+]c1C ZINC000883342457 591621334 /nfs/dbraw/zinc/62/13/34/591621334.db2.gz YSJDVZQIIIDQAL-GXFFZTMASA-N 2 2 219.332 2.060 20 0 BEADLP Cc1cc(N[C@@H]2C[N@H+](C)C[C@@H]2C)c[nH+]c1C ZINC000883342457 591621336 /nfs/dbraw/zinc/62/13/36/591621336.db2.gz YSJDVZQIIIDQAL-GXFFZTMASA-N 2 2 219.332 2.060 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000883355071 591626673 /nfs/dbraw/zinc/62/66/73/591626673.db2.gz IJYPPHIFSIRBDP-CPCZMJQVSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000883355071 591626676 /nfs/dbraw/zinc/62/66/76/591626676.db2.gz IJYPPHIFSIRBDP-CPCZMJQVSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883417544 591653070 /nfs/dbraw/zinc/65/30/70/591653070.db2.gz DWSWSEZHJHVEGH-BPLDGKMQSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000883417544 591653075 /nfs/dbraw/zinc/65/30/75/591653075.db2.gz DWSWSEZHJHVEGH-BPLDGKMQSA-N 2 2 248.370 2.186 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883418133 591654811 /nfs/dbraw/zinc/65/48/11/591654811.db2.gz YOLZRQINHATEOF-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883418133 591654815 /nfs/dbraw/zinc/65/48/15/591654815.db2.gz YOLZRQINHATEOF-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP C[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883421081 591655396 /nfs/dbraw/zinc/65/53/96/591655396.db2.gz BCFXUYOYPLKPSG-UBHSHLNASA-N 2 2 248.345 2.306 20 0 BEADLP C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883421081 591655397 /nfs/dbraw/zinc/65/53/97/591655397.db2.gz BCFXUYOYPLKPSG-UBHSHLNASA-N 2 2 248.345 2.306 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883430658 591661828 /nfs/dbraw/zinc/66/18/28/591661828.db2.gz ZRMNKQRMHTWWNL-DCAQKATOSA-N 2 2 232.318 2.233 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883430658 591661832 /nfs/dbraw/zinc/66/18/32/591661832.db2.gz ZRMNKQRMHTWWNL-DCAQKATOSA-N 2 2 232.318 2.233 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2CC[C@@H]1CCCC1(F)F ZINC000883435818 591665846 /nfs/dbraw/zinc/66/58/46/591665846.db2.gz DEPZUDISAVZZEF-CXQJBGSLSA-N 2 2 244.329 2.235 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2CC[C@@H]1CCCC1(F)F ZINC000883435818 591665850 /nfs/dbraw/zinc/66/58/50/591665850.db2.gz DEPZUDISAVZZEF-CXQJBGSLSA-N 2 2 244.329 2.235 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)o1 ZINC000883442300 591669523 /nfs/dbraw/zinc/66/95/23/591669523.db2.gz IMNHMCDISBQXIP-WDEREUQCSA-N 2 2 237.347 2.013 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000133608511 591841544 /nfs/dbraw/zinc/84/15/44/591841544.db2.gz CBGPTXVHSARJPE-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnc(Cl)c1 ZINC000133608511 591841550 /nfs/dbraw/zinc/84/15/50/591841550.db2.gz CBGPTXVHSARJPE-MWLCHTKSSA-N 2 2 239.750 2.047 20 0 BEADLP FC(F)(F)c1cc[nH+]c(NC[C@H]2CC[NH2+]C2)c1 ZINC000133815106 591860358 /nfs/dbraw/zinc/86/03/58/591860358.db2.gz HIWSOVWQQSMNOM-QMMMGPOBSA-N 2 2 245.248 2.122 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824956 592348223 /nfs/dbraw/zinc/34/82/23/592348223.db2.gz JTVNPJJHYFRXIH-FZMZJTMJSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CC2)CCC1 ZINC000886824956 592348227 /nfs/dbraw/zinc/34/82/27/592348227.db2.gz JTVNPJJHYFRXIH-FZMZJTMJSA-N 2 2 234.387 2.391 20 0 BEADLP C[N@H+](CCCF)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000887141515 592457156 /nfs/dbraw/zinc/45/71/56/592457156.db2.gz XILCEFLRPBRTSA-UHFFFAOYSA-N 2 2 248.305 2.059 20 0 BEADLP C[N@@H+](CCCF)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000887141515 592457161 /nfs/dbraw/zinc/45/71/61/592457161.db2.gz XILCEFLRPBRTSA-UHFFFAOYSA-N 2 2 248.305 2.059 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000223198484 592519996 /nfs/dbraw/zinc/51/99/96/592519996.db2.gz PGPQLGFMZVCTMH-NEPJUHHUSA-N 2 2 238.350 2.296 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054111303 635393296 /nfs/dbraw/zinc/39/32/96/635393296.db2.gz UWAQJKYWDZXACZ-LBPRGKRZSA-N 2 2 200.370 2.495 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054111303 635393303 /nfs/dbraw/zinc/39/33/03/635393303.db2.gz UWAQJKYWDZXACZ-LBPRGKRZSA-N 2 2 200.370 2.495 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(C)c1 ZINC000925832793 635475770 /nfs/dbraw/zinc/47/57/70/635475770.db2.gz FCJXNXMWNRTKAI-ZIAGYGMSSA-N 2 2 247.386 2.448 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCCCC1 ZINC000308778722 631381712 /nfs/dbraw/zinc/38/17/12/631381712.db2.gz BQUPPEOTMRTHIS-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000309174659 631922837 /nfs/dbraw/zinc/92/28/37/631922837.db2.gz MGKXXRXMXVOYAD-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000309174659 631922842 /nfs/dbraw/zinc/92/28/42/631922842.db2.gz MGKXXRXMXVOYAD-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000924968466 635815110 /nfs/dbraw/zinc/81/51/10/635815110.db2.gz YMQYXVNMNNMOCF-STQMWFEESA-N 2 2 247.386 2.085 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000924968466 635815114 /nfs/dbraw/zinc/81/51/14/635815114.db2.gz YMQYXVNMNNMOCF-STQMWFEESA-N 2 2 247.386 2.085 20 0 BEADLP CCC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309030982 632619761 /nfs/dbraw/zinc/61/97/61/632619761.db2.gz BNWFDMAAFVDSKN-JTQLQIEISA-N 2 2 220.307 2.091 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000309741967 632662478 /nfs/dbraw/zinc/66/24/78/632662478.db2.gz HYIKICOTTOCRGM-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000309741967 632662484 /nfs/dbraw/zinc/66/24/84/632662484.db2.gz HYIKICOTTOCRGM-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000310357870 632726351 /nfs/dbraw/zinc/72/63/51/632726351.db2.gz RLEYYUOPAJAXCP-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000930609297 633932691 /nfs/dbraw/zinc/93/26/91/633932691.db2.gz DDDWXXUPXSWYMI-YNEHKIRRSA-N 2 2 247.386 2.348 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000930609297 633932695 /nfs/dbraw/zinc/93/26/95/633932695.db2.gz DDDWXXUPXSWYMI-YNEHKIRRSA-N 2 2 247.386 2.348 20 0 BEADLP C[C@H]1CC[C@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000309781265 634003786 /nfs/dbraw/zinc/00/37/86/634003786.db2.gz MYDJLUSQLHXPPY-RYUDHWBXSA-N 2 2 221.348 2.297 20 0 BEADLP CC1(C)[C@@H]([NH2+]Cc2ccoc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925613483 634154429 /nfs/dbraw/zinc/15/44/29/634154429.db2.gz RTROMVCAVYQTEX-AGIUHOORSA-N 2 2 234.343 2.146 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000053344123 634171435 /nfs/dbraw/zinc/17/14/35/634171435.db2.gz ACHDOALILUCYBD-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000053344123 634171440 /nfs/dbraw/zinc/17/14/40/634171440.db2.gz ACHDOALILUCYBD-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](CC[NH2+][C@@H]1C[NH2+]CCOC1)CC(C)(C)C ZINC000925645138 634197922 /nfs/dbraw/zinc/19/79/22/634197922.db2.gz NYFUPNACURNKLE-CHWSQXEVSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCc2ccccc21)[NH+](C)C ZINC000893345773 634236363 /nfs/dbraw/zinc/23/63/63/634236363.db2.gz XBYXFYTWPSFINS-TZMCWYRMSA-N 2 2 232.371 2.256 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])C1 ZINC000925698009 634359917 /nfs/dbraw/zinc/35/99/17/634359917.db2.gz ZWYHLOTVRIMPSZ-REBRKWNGSA-N 2 2 248.370 2.232 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925698008 634361110 /nfs/dbraw/zinc/36/11/10/634361110.db2.gz ZWYHLOTVRIMPSZ-MHEUCROKSA-N 2 2 248.370 2.232 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925698011 634361208 /nfs/dbraw/zinc/36/12/08/634361208.db2.gz ZWYHLOTVRIMPSZ-SPWCGHHHSA-N 2 2 248.370 2.232 20 0 BEADLP CC(C)Oc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258839176 635211405 /nfs/dbraw/zinc/21/14/05/635211405.db2.gz WCCDQWNCVGQGTI-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258839176 635211409 /nfs/dbraw/zinc/21/14/09/635211409.db2.gz WCCDQWNCVGQGTI-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258839170 635211939 /nfs/dbraw/zinc/21/19/39/635211939.db2.gz WCCDQWNCVGQGTI-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258839170 635211948 /nfs/dbraw/zinc/21/19/48/635211948.db2.gz WCCDQWNCVGQGTI-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCNc2ccccc21 ZINC000925782333 635278447 /nfs/dbraw/zinc/27/84/47/635278447.db2.gz FMIFDQARTBVSHK-KCPJHIHWSA-N 2 2 245.370 2.131 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000925179786 636357651 /nfs/dbraw/zinc/35/76/51/636357651.db2.gz ZSMAHTIQWLXAOH-KGLIPLIRSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000925179786 636357658 /nfs/dbraw/zinc/35/76/58/636357658.db2.gz ZSMAHTIQWLXAOH-KGLIPLIRSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000226334874 636576617 /nfs/dbraw/zinc/57/66/17/636576617.db2.gz XKOOMLHFFRIFEP-CQSZACIVSA-N 2 2 247.386 2.389 20 0 BEADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000226334874 636576625 /nfs/dbraw/zinc/57/66/25/636576625.db2.gz XKOOMLHFFRIFEP-CQSZACIVSA-N 2 2 247.386 2.389 20 0 BEADLP COCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924685665 636992349 /nfs/dbraw/zinc/99/23/49/636992349.db2.gz QRLQZSKXZQBIOC-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924685665 636992353 /nfs/dbraw/zinc/99/23/53/636992353.db2.gz QRLQZSKXZQBIOC-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC1(C)C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1[NH3+] ZINC000903559907 637368546 /nfs/dbraw/zinc/36/85/46/637368546.db2.gz MNOQGUZLALMBNC-AWEZNQCLSA-N 2 2 243.354 2.337 20 0 BEADLP CC1(C)C[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1[NH3+] ZINC000903559907 637368549 /nfs/dbraw/zinc/36/85/49/637368549.db2.gz MNOQGUZLALMBNC-AWEZNQCLSA-N 2 2 243.354 2.337 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cncs1 ZINC000904470236 637423234 /nfs/dbraw/zinc/42/32/34/637423234.db2.gz VKHNESDBUMEQRR-VHSXEESVSA-N 2 2 227.377 2.167 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000904475108 637425367 /nfs/dbraw/zinc/42/53/67/637425367.db2.gz ILMJTTMCCLAKLP-YPMHNXCESA-N 2 2 242.432 2.059 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000904475108 637425371 /nfs/dbraw/zinc/42/53/71/637425371.db2.gz ILMJTTMCCLAKLP-YPMHNXCESA-N 2 2 242.432 2.059 20 0 BEADLP COC1([C@H](C)[NH2+]Cc2[nH]c(C)[nH+]c2C)CCC1 ZINC000930722388 639877680 /nfs/dbraw/zinc/87/76/80/639877680.db2.gz PRQQEUACCGKBCH-JTQLQIEISA-N 2 2 237.347 2.074 20 0 BEADLP CC(C)COCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352814 640167144 /nfs/dbraw/zinc/16/71/44/640167144.db2.gz SDDKZCHNURRZHM-UHFFFAOYSA-N 2 2 242.407 2.075 20 0 BEADLP CC1CC(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000931622832 640294570 /nfs/dbraw/zinc/29/45/70/640294570.db2.gz STMKWIKXEBTKJN-CLRIEMFWSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000931622832 640294578 /nfs/dbraw/zinc/29/45/78/640294578.db2.gz STMKWIKXEBTKJN-CLRIEMFWSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000931622832 640294581 /nfs/dbraw/zinc/29/45/81/640294581.db2.gz STMKWIKXEBTKJN-CLRIEMFWSA-N 2 2 222.376 2.201 20 0 BEADLP CC1CC(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000931622832 640294589 /nfs/dbraw/zinc/29/45/89/640294589.db2.gz STMKWIKXEBTKJN-CLRIEMFWSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167333279 640712646 /nfs/dbraw/zinc/71/26/46/640712646.db2.gz UGYIECAKBVJPKL-GHMZBOCLSA-N 2 2 232.437 2.446 20 0 BEADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3F)C[C@]2(C)C1 ZINC000933741680 640757496 /nfs/dbraw/zinc/75/74/96/640757496.db2.gz DFSNPRMALUGUAU-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3F)C[C@]2(C)C1 ZINC000933741680 640757504 /nfs/dbraw/zinc/75/75/04/640757504.db2.gz DFSNPRMALUGUAU-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@]2(C)C1 ZINC000933741680 640757511 /nfs/dbraw/zinc/75/75/11/640757511.db2.gz DFSNPRMALUGUAU-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@]2(C)C1 ZINC000933741680 640757520 /nfs/dbraw/zinc/75/75/20/640757520.db2.gz DFSNPRMALUGUAU-HIFRSBDPSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000226414252 640762209 /nfs/dbraw/zinc/76/22/09/640762209.db2.gz HPSFYDGFZGLEGP-GXTWGEPZSA-N 2 2 218.344 2.350 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000226414252 640762214 /nfs/dbraw/zinc/76/22/14/640762214.db2.gz HPSFYDGFZGLEGP-GXTWGEPZSA-N 2 2 218.344 2.350 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@@H+]1C ZINC000226826123 640797902 /nfs/dbraw/zinc/79/79/02/640797902.db2.gz ASAKNLLKELPBQP-MRVWCRGKSA-N 2 2 245.370 2.141 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@H+]1C ZINC000226826123 640797907 /nfs/dbraw/zinc/79/79/07/640797907.db2.gz ASAKNLLKELPBQP-MRVWCRGKSA-N 2 2 245.370 2.141 20 0 BEADLP CC(C)C(C)(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000232761882 641457982 /nfs/dbraw/zinc/45/79/82/641457982.db2.gz CRLKMPNVWXALNT-QWHCGFSZSA-N 2 2 242.407 2.025 20 0 BEADLP CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000043992845 641583131 /nfs/dbraw/zinc/58/31/31/641583131.db2.gz LYWYMGKQBNOWBK-ZDUSSCGKSA-N 2 2 215.300 2.234 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000076003411 641787618 /nfs/dbraw/zinc/78/76/18/641787618.db2.gz SCUBPZPEJFITGF-PZBABLGHSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000076003411 641787620 /nfs/dbraw/zinc/78/76/20/641787620.db2.gz SCUBPZPEJFITGF-PZBABLGHSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+]1CCC([N@H+](C)CCC(=O)CC)CC1 ZINC000190264352 641854167 /nfs/dbraw/zinc/85/41/67/641854167.db2.gz DYFWHPXLUZMOHP-UHFFFAOYSA-N 2 2 240.391 2.162 20 0 BEADLP CCC[NH+]1CCC([N@@H+](C)CCC(=O)CC)CC1 ZINC000190264352 641854168 /nfs/dbraw/zinc/85/41/68/641854168.db2.gz DYFWHPXLUZMOHP-UHFFFAOYSA-N 2 2 240.391 2.162 20 0 BEADLP COc1ccc(C[NH2+]CC[NH+]2CCCC2)c(C)c1 ZINC000921490465 642627535 /nfs/dbraw/zinc/62/75/35/642627535.db2.gz JWDPNBSUGFJMPT-UHFFFAOYSA-N 2 2 248.370 2.189 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000070356772 643018517 /nfs/dbraw/zinc/01/85/17/643018517.db2.gz CDUJPAWRSSODBD-RDBSUJKOSA-N 2 2 242.407 2.120 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)C ZINC000252712641 643096935 /nfs/dbraw/zinc/09/69/35/643096935.db2.gz MZEHLIKKBRUJBY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)C ZINC000252712641 643096938 /nfs/dbraw/zinc/09/69/38/643096938.db2.gz MZEHLIKKBRUJBY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[Si](C)(C)C ZINC000177312893 643429694 /nfs/dbraw/zinc/42/96/94/643429694.db2.gz QDKZRSUZYBTCCZ-OLZOCXBDSA-N 2 2 240.467 2.422 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[Si](C)(C)C ZINC000177312893 643429704 /nfs/dbraw/zinc/42/97/04/643429704.db2.gz QDKZRSUZYBTCCZ-OLZOCXBDSA-N 2 2 240.467 2.422 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[Si](C)(C)C ZINC000177312893 643429713 /nfs/dbraw/zinc/42/97/13/643429713.db2.gz QDKZRSUZYBTCCZ-OLZOCXBDSA-N 2 2 240.467 2.422 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[Si](C)(C)C ZINC000177312893 643429717 /nfs/dbraw/zinc/42/97/17/643429717.db2.gz QDKZRSUZYBTCCZ-OLZOCXBDSA-N 2 2 240.467 2.422 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000922163518 643886682 /nfs/dbraw/zinc/88/66/82/643886682.db2.gz BMIFMILTQQEIRI-SRVKXCTJSA-N 2 2 230.421 2.200 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000922191512 643897885 /nfs/dbraw/zinc/89/78/85/643897885.db2.gz WBWUZSTZYZAZRL-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCS[C@@H](C)C2)n1C ZINC000922836476 644113102 /nfs/dbraw/zinc/11/31/02/644113102.db2.gz CMOCXRCAHBNLPT-ONGXEEELSA-N 2 2 239.388 2.102 20 0 BEADLP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923280090 644311944 /nfs/dbraw/zinc/31/19/44/644311944.db2.gz FBBCBPCGHPPHPL-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923280090 644311948 /nfs/dbraw/zinc/31/19/48/644311948.db2.gz FBBCBPCGHPPHPL-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCc1onc(C)c1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000923295738 644332310 /nfs/dbraw/zinc/33/23/10/644332310.db2.gz FXUZSFHIUDVBQG-ZDUSSCGKSA-N 2 2 239.363 2.008 20 0 BEADLP CCc1onc(C)c1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000923367549 644378632 /nfs/dbraw/zinc/37/86/32/644378632.db2.gz HIQLEPLQIMSAOA-GFCCVEGCSA-N 2 2 239.363 2.008 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455157 644434669 /nfs/dbraw/zinc/43/46/69/644434669.db2.gz SMNSOWFQJGDTFI-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455157 644434672 /nfs/dbraw/zinc/43/46/72/644434672.db2.gz SMNSOWFQJGDTFI-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817979971 644992668 /nfs/dbraw/zinc/99/26/68/644992668.db2.gz QRUHZFDJBSZXQD-SCZZXKLOSA-N 2 2 227.739 2.123 20 0 BEADLP CSC(C)(C)CC[N@@H+](C)CC1C[NH+](C)C1 ZINC000877627385 645802692 /nfs/dbraw/zinc/80/26/92/645802692.db2.gz OXUWBLPAPBDYTN-UHFFFAOYSA-N 2 2 230.421 2.012 20 0 BEADLP CSC(C)(C)CC[N@H+](C)CC1C[NH+](C)C1 ZINC000877627385 645802689 /nfs/dbraw/zinc/80/26/89/645802689.db2.gz OXUWBLPAPBDYTN-UHFFFAOYSA-N 2 2 230.421 2.012 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000924540165 646060131 /nfs/dbraw/zinc/06/01/31/646060131.db2.gz CGTUNXBXXPIMDX-MJBXVCDLSA-N 2 2 222.376 2.273 20 0 BEADLP c1coc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924555439 646069048 /nfs/dbraw/zinc/06/90/48/646069048.db2.gz NMPNDMCUJDUBPO-GJZGRUSLSA-N 2 2 248.370 2.429 20 0 BEADLP c1coc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924555439 646069051 /nfs/dbraw/zinc/06/90/51/646069051.db2.gz NMPNDMCUJDUBPO-GJZGRUSLSA-N 2 2 248.370 2.429 20 0 BEADLP CSC1CC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000924671076 646089473 /nfs/dbraw/zinc/08/94/73/646089473.db2.gz IVKHKILYRPOJFQ-HIFPTAJRSA-N 2 2 242.432 2.344 20 0 BEADLP CSC1CC([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000924671076 646089476 /nfs/dbraw/zinc/08/94/76/646089476.db2.gz IVKHKILYRPOJFQ-HIFPTAJRSA-N 2 2 242.432 2.344 20 0 BEADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000924801900 646110107 /nfs/dbraw/zinc/11/01/07/646110107.db2.gz IGBXPSYARZVXDA-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000924801900 646110110 /nfs/dbraw/zinc/11/01/10/646110110.db2.gz IGBXPSYARZVXDA-KBPBESRZSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924904504 646129917 /nfs/dbraw/zinc/12/99/17/646129917.db2.gz QJMQYJRSCRHUBV-GZBFAFLISA-N 2 2 234.387 2.415 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)C1CC1 ZINC000924904504 646129920 /nfs/dbraw/zinc/12/99/20/646129920.db2.gz QJMQYJRSCRHUBV-GZBFAFLISA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccn1)[N@H+](C)C1CC1 ZINC000924968465 646145831 /nfs/dbraw/zinc/14/58/31/646145831.db2.gz YMQYXVNMNNMOCF-QWHCGFSZSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccn1)[N@@H+](C)C1CC1 ZINC000924968465 646145836 /nfs/dbraw/zinc/14/58/36/646145836.db2.gz YMQYXVNMNNMOCF-QWHCGFSZSA-N 2 2 247.386 2.085 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccccn1 ZINC000925042088 646165173 /nfs/dbraw/zinc/16/51/73/646165173.db2.gz QFMQANNXFITOHT-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccn1 ZINC000925042088 646165179 /nfs/dbraw/zinc/16/51/79/646165179.db2.gz QFMQANNXFITOHT-CQSZACIVSA-N 2 2 249.402 2.334 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000925481907 646293930 /nfs/dbraw/zinc/29/39/30/646293930.db2.gz OWFDLOSQVMYUEA-NWANDNLSSA-N 2 2 248.370 2.234 20 0 BEADLP CSCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925504887 646305494 /nfs/dbraw/zinc/30/54/94/646305494.db2.gz MKSCSYRMXFHOCT-PWSUYJOCSA-N 2 2 224.373 2.028 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]CCOCC1CC1)c1ccccc1 ZINC000925557325 646332901 /nfs/dbraw/zinc/33/29/01/646332901.db2.gz OMFUNITYWUDOIZ-DOMZBBRYSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCOCC1CC1)c1ccccc1 ZINC000925557326 646333487 /nfs/dbraw/zinc/33/34/87/646333487.db2.gz OMFUNITYWUDOIZ-IUODEOHRSA-N 2 2 248.370 2.091 20 0 BEADLP CS[C@H](C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925587076 646346577 /nfs/dbraw/zinc/34/65/77/646346577.db2.gz NBGXKGDJMPIBPQ-MDZLAQPJSA-N 2 2 238.400 2.416 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)Oc1ccccc1 ZINC000925603208 646355209 /nfs/dbraw/zinc/35/52/09/646355209.db2.gz JPIHNIRAMNFGAO-TZMCWYRMSA-N 2 2 248.370 2.184 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]CCCF)c1ccccc1 ZINC000925619537 646366813 /nfs/dbraw/zinc/36/68/13/646366813.db2.gz OSBXHYBSAXXGRJ-JQWIXIFHSA-N 2 2 210.296 2.024 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925620874 646366938 /nfs/dbraw/zinc/36/69/38/646366938.db2.gz CTYPCYKUFMCIRP-DOMZBBRYSA-N 2 2 248.370 2.234 20 0 BEADLP C/C=C\C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925720544 646446402 /nfs/dbraw/zinc/44/64/02/646446402.db2.gz YUGPZQYJDSSBEJ-QOHONLRBSA-N 2 2 204.317 2.241 20 0 BEADLP CC1CC(C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000930123740 646447574 /nfs/dbraw/zinc/44/75/74/646447574.db2.gz APDLVNSXMDORQG-UHFFFAOYSA-N 2 2 221.348 2.251 20 0 BEADLP CC1CC(C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000930123740 646447578 /nfs/dbraw/zinc/44/75/78/646447578.db2.gz APDLVNSXMDORQG-UHFFFAOYSA-N 2 2 221.348 2.251 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930126311 646449773 /nfs/dbraw/zinc/44/97/73/646449773.db2.gz RJKIXQFCTXKPRG-OLZOCXBDSA-N 2 2 221.348 2.251 20 0 BEADLP CC[C@@H]1C[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930126311 646449776 /nfs/dbraw/zinc/44/97/76/646449776.db2.gz RJKIXQFCTXKPRG-OLZOCXBDSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c[nH+]c1C ZINC000925768190 646469317 /nfs/dbraw/zinc/46/93/17/646469317.db2.gz IFGQFMJBRAMVES-AAEUAGOBSA-N 2 2 219.332 2.251 20 0 BEADLP C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1F)C1C[NH2+]C1 ZINC000925769495 646470359 /nfs/dbraw/zinc/47/03/59/646470359.db2.gz FDOUZVUCYBCAIO-COLVAYQJSA-N 2 2 248.345 2.210 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000925784569 646481627 /nfs/dbraw/zinc/48/16/27/646481627.db2.gz HJQNAGRMWDDHRC-XHBSWPGZSA-N 2 2 244.382 2.434 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000925786888 646482731 /nfs/dbraw/zinc/48/27/31/646482731.db2.gz QPIYJAGFBZRTRZ-BYCMXARLSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230052 646599968 /nfs/dbraw/zinc/59/99/68/646599968.db2.gz QPUMVKSPXLNJNL-CZXHOFHRSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000926240108 646603149 /nfs/dbraw/zinc/60/31/49/646603149.db2.gz XKPJKHZMARYHSZ-CYBMUJFWSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450626 646641576 /nfs/dbraw/zinc/64/15/76/646641576.db2.gz PMYBQZSFWZYOTN-GMTAPVOTSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@H](C[NH2+]Cc1ccc(Cl)cn1)C[NH+](C)C ZINC000703855180 712090763 /nfs/dbraw/zinc/09/07/63/712090763.db2.gz GJNLRNRMXUBSJB-SNVBAGLBSA-N 2 2 241.766 2.022 20 0 BEADLP CC1(C)CC[C@H](C[N@H+]2CCCC[C@H]2C[NH3+])OC1 ZINC000711347330 712295076 /nfs/dbraw/zinc/29/50/76/712295076.db2.gz SQSFRCMAPSODOH-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000718790389 712784235 /nfs/dbraw/zinc/78/42/35/712784235.db2.gz NRFXXUABDBONEW-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000718790389 712784236 /nfs/dbraw/zinc/78/42/36/712784236.db2.gz NRFXXUABDBONEW-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)([NH3+])CC[NH2+]Cc1ncc(Cl)s1 ZINC000719397080 712806534 /nfs/dbraw/zinc/80/65/34/712806534.db2.gz YODNRZQYFYIIFH-UHFFFAOYSA-N 2 2 233.768 2.014 20 0 BEADLP CSC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000719642912 712819157 /nfs/dbraw/zinc/81/91/57/712819157.db2.gz QOLOOZQGVMVYLQ-WDEREUQCSA-N 2 2 230.421 2.200 20 0 BEADLP CSC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000719642912 712819158 /nfs/dbraw/zinc/81/91/58/712819158.db2.gz QOLOOZQGVMVYLQ-WDEREUQCSA-N 2 2 230.421 2.200 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000721169298 712893923 /nfs/dbraw/zinc/89/39/23/712893923.db2.gz UDUWSXFOJBPRPT-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CSC(C)(C)CC[NH2+][C@@H](C)C[NH+](C)C ZINC000385161420 711006983 /nfs/dbraw/zinc/00/69/83/711006983.db2.gz AACBNJNFTJFEPR-JTQLQIEISA-N 2 2 218.410 2.058 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000385552696 711014558 /nfs/dbraw/zinc/01/45/58/711014558.db2.gz XNDLMDDNHVHYFE-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000385552696 711014562 /nfs/dbraw/zinc/01/45/62/711014562.db2.gz XNDLMDDNHVHYFE-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000386265545 711026413 /nfs/dbraw/zinc/02/64/13/711026413.db2.gz XDVLFQAIONVFSM-RYUDHWBXSA-N 2 2 239.388 2.147 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000380719470 712902737 /nfs/dbraw/zinc/90/27/37/712902737.db2.gz OGUWPZDWNNPMRO-AXFHLTTASA-N 2 2 232.318 2.233 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000380719470 712902738 /nfs/dbraw/zinc/90/27/38/712902738.db2.gz OGUWPZDWNNPMRO-AXFHLTTASA-N 2 2 232.318 2.233 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000388059689 711051823 /nfs/dbraw/zinc/05/18/23/711051823.db2.gz IWLFDQGFXVBVTR-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1C ZINC000388059689 711051824 /nfs/dbraw/zinc/05/18/24/711051824.db2.gz IWLFDQGFXVBVTR-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccccc1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388049733 711052151 /nfs/dbraw/zinc/05/21/51/711052151.db2.gz KLEYIOLXFFBCFL-ZDUSSCGKSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1ccccc1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388049733 711052156 /nfs/dbraw/zinc/05/21/56/711052156.db2.gz KLEYIOLXFFBCFL-ZDUSSCGKSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388183786 711053132 /nfs/dbraw/zinc/05/31/32/711053132.db2.gz YSANAXULARGGCJ-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000388183786 711053135 /nfs/dbraw/zinc/05/31/35/711053135.db2.gz YSANAXULARGGCJ-AWEZNQCLSA-N 2 2 232.371 2.473 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000390344588 711112786 /nfs/dbraw/zinc/11/27/86/711112786.db2.gz NTOZEWAZMYGTEY-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000390344588 711112791 /nfs/dbraw/zinc/11/27/91/711112791.db2.gz NTOZEWAZMYGTEY-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000396630482 711360691 /nfs/dbraw/zinc/36/06/91/711360691.db2.gz XKVCVQHBJSXQJF-TZMCWYRMSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000381469150 710640997 /nfs/dbraw/zinc/64/09/97/710640997.db2.gz MAOIOLKNGIASSD-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(CC[NH+]3CCCC3)c2C[C@@H]1C ZINC000386443881 711029903 /nfs/dbraw/zinc/02/99/03/711029903.db2.gz CSWDJRXDKOUEMO-OLZOCXBDSA-N 2 2 247.386 2.350 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)[NH+](C)C ZINC000394337144 711190108 /nfs/dbraw/zinc/19/01/08/711190108.db2.gz YTAOENOOEOJPNI-IKWCTNDRSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC2CCC1CC2)[NH+](C)C ZINC000394337147 711190113 /nfs/dbraw/zinc/19/01/13/711190113.db2.gz YTAOENOOEOJPNI-XVSSEFHLSA-N 2 2 210.365 2.105 20 0 BEADLP COCc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396709480 711366038 /nfs/dbraw/zinc/36/60/38/711366038.db2.gz QEYIUEZSEAFCRP-SWLSCSKDSA-N 2 2 248.370 2.063 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000713956794 711500651 /nfs/dbraw/zinc/50/06/51/711500651.db2.gz DOKWTBQZRGXABM-SDDRHHMPSA-N 2 2 230.421 2.200 20 0 BEADLP Cc1cc(C)[nH+]c(CN2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)c1 ZINC000723879715 711542415 /nfs/dbraw/zinc/54/24/15/711542415.db2.gz QSXGUCGUPAFNBC-MCIONIFRSA-N 2 2 247.386 2.269 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)[C@H]1CCCOC1 ZINC000723993338 711552313 /nfs/dbraw/zinc/55/23/13/711552313.db2.gz MBTYXEFACNDZCT-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CCOC[C@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)C(C)C ZINC000724778163 711613087 /nfs/dbraw/zinc/61/30/87/711613087.db2.gz BCDTXWADCGSVTI-ZDUSSCGKSA-N 2 2 239.363 2.177 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000721550387 711622460 /nfs/dbraw/zinc/62/24/60/711622460.db2.gz OAIMCMARYMLPOK-JHJVBQTASA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC2CCC1CC2 ZINC000394245640 711685002 /nfs/dbraw/zinc/68/50/02/711685002.db2.gz WFUBZHLXZLQPFR-ABXWRUBCSA-N 2 2 233.359 2.440 20 0 BEADLP COCC1(C[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925711888 711711858 /nfs/dbraw/zinc/71/18/58/711711858.db2.gz FJEASUUXEVBOGM-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP CC1(C)C[N@H+](CCCOc2ccccc2)C[C@H]1[NH3+] ZINC000388040700 711836762 /nfs/dbraw/zinc/83/67/62/711836762.db2.gz FYDPFACJFDSGPN-CQSZACIVSA-N 2 2 248.370 2.125 20 0 BEADLP CC1(C)C[N@@H+](CCCOc2ccccc2)C[C@H]1[NH3+] ZINC000388040700 711836763 /nfs/dbraw/zinc/83/67/63/711836763.db2.gz FYDPFACJFDSGPN-CQSZACIVSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)Oc1ccccc1 ZINC000700321063 711989974 /nfs/dbraw/zinc/98/99/74/711989974.db2.gz VUSDHCDTBHJGRY-VNHYZAJKSA-N 2 2 248.370 2.184 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703602845 712081826 /nfs/dbraw/zinc/08/18/26/712081826.db2.gz OCIYXZIPIUVJPH-DZGCQCFKSA-N 2 2 248.345 2.175 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000703602845 712081827 /nfs/dbraw/zinc/08/18/27/712081827.db2.gz OCIYXZIPIUVJPH-DZGCQCFKSA-N 2 2 248.345 2.175 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000379780206 712398948 /nfs/dbraw/zinc/39/89/48/712398948.db2.gz BZXSKLAPOGMFBU-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccns2)CC1 ZINC000716047382 712548434 /nfs/dbraw/zinc/54/84/34/712548434.db2.gz LLMKHVMTGMAORH-JTQLQIEISA-N 2 2 239.388 2.278 20 0 BEADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC1CC1 ZINC000037156732 712549880 /nfs/dbraw/zinc/54/98/80/712549880.db2.gz GWVGCLFYBQBQKQ-LBPRGKRZSA-N 2 2 221.348 2.297 20 0 BEADLP CC1(C)CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000379994838 712645277 /nfs/dbraw/zinc/64/52/77/712645277.db2.gz ZTTLYJIOGAMIGI-SECBINFHSA-N 2 2 220.307 2.091 20 0 BEADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000718034220 712735744 /nfs/dbraw/zinc/73/57/44/712735744.db2.gz APYAKCVRRIBLOC-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000718034220 712735747 /nfs/dbraw/zinc/73/57/47/712735747.db2.gz APYAKCVRRIBLOC-GFCCVEGCSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC[NH3+] ZINC000037712876 712745018 /nfs/dbraw/zinc/74/50/18/712745018.db2.gz IHYRSVIOPMWKBC-SNVBAGLBSA-N 2 2 218.300 2.351 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000718134247 712747736 /nfs/dbraw/zinc/74/77/36/712747736.db2.gz YCAMSPVXOJVHCP-LBPRGKRZSA-N 2 2 234.343 2.162 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000718134247 712747737 /nfs/dbraw/zinc/74/77/37/712747737.db2.gz YCAMSPVXOJVHCP-LBPRGKRZSA-N 2 2 234.343 2.162 20 0 BEADLP CO[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)CC1 ZINC000718791886 712783989 /nfs/dbraw/zinc/78/39/89/712783989.db2.gz RFIXEUYELPHVAZ-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]1[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000719574624 712812068 /nfs/dbraw/zinc/81/20/68/712812068.db2.gz ZCHWFOLFFINSCM-UWVGGRQHSA-N 2 2 230.315 2.067 20 0 BEADLP C[C@H]1[C@@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000719574624 712812069 /nfs/dbraw/zinc/81/20/69/712812069.db2.gz ZCHWFOLFFINSCM-UWVGGRQHSA-N 2 2 230.315 2.067 20 0 BEADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000383938924 712831242 /nfs/dbraw/zinc/83/12/42/712831242.db2.gz GRMBTLCLYHKQKG-MELADBBJSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000720770503 712864730 /nfs/dbraw/zinc/86/47/30/712864730.db2.gz VLDSVQLWUQIUIN-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000720770503 712864731 /nfs/dbraw/zinc/86/47/31/712864731.db2.gz VLDSVQLWUQIUIN-CQSZACIVSA-N 2 2 232.371 2.473 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC001164640126 719196553 /nfs/dbraw/zinc/19/65/53/719196553.db2.gz UPCRQFNMJXPARY-NEPJUHHUSA-N 2 2 249.358 2.009 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC001164640126 719196554 /nfs/dbraw/zinc/19/65/54/719196554.db2.gz UPCRQFNMJXPARY-NEPJUHHUSA-N 2 2 249.358 2.009 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001164640127 719196124 /nfs/dbraw/zinc/19/61/24/719196124.db2.gz UPCRQFNMJXPARY-NWDGAFQWSA-N 2 2 249.358 2.009 20 0 BEADLP CCOc1cc[nH+]c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001164640127 719196127 /nfs/dbraw/zinc/19/61/27/719196127.db2.gz UPCRQFNMJXPARY-NWDGAFQWSA-N 2 2 249.358 2.009 20 0 BEADLP CC[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730779 957528037 /nfs/dbraw/zinc/52/80/37/957528037.db2.gz IPXSNPQQFBSBRS-NSHDSACASA-N 2 2 219.332 2.116 20 0 BEADLP CC[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209730779 957528045 /nfs/dbraw/zinc/52/80/45/957528045.db2.gz IPXSNPQQFBSBRS-NSHDSACASA-N 2 2 219.332 2.116 20 0 BEADLP Cc1c[nH+]c(N2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001165034936 721897163 /nfs/dbraw/zinc/89/71/63/721897163.db2.gz ITIJMDSGHLNKAI-CYBMUJFWSA-N 2 2 233.359 2.229 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399004260 958485500 /nfs/dbraw/zinc/48/55/00/958485500.db2.gz VXSOUWSOVDGRRA-GHMZBOCLSA-N 2 2 224.373 2.287 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]CCC(C)C ZINC000053345004 963723976 /nfs/dbraw/zinc/72/39/76/963723976.db2.gz XLERZRPKIBRIJI-UHFFFAOYSA-N 2 2 200.370 2.354 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]CCC(C)C ZINC000053345004 963723987 /nfs/dbraw/zinc/72/39/87/963723987.db2.gz XLERZRPKIBRIJI-UHFFFAOYSA-N 2 2 200.370 2.354 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cnccc2Cl)CC1 ZINC001205101789 967346667 /nfs/dbraw/zinc/34/66/67/967346667.db2.gz LSVIBRANUGQLTD-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cnccc2Cl)CC1 ZINC001205101789 967346679 /nfs/dbraw/zinc/34/66/79/967346679.db2.gz LSVIBRANUGQLTD-LLVKDONJSA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+]Cc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC000128042908 1166052944 /nfs/dbraw/zinc/05/29/44/1166052944.db2.gz QJLHYYMKJFXRBL-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CCOC2CCCCC2)C[NH2+]1 ZINC000399080741 1166126098 /nfs/dbraw/zinc/12/60/98/1166126098.db2.gz RSYPQZYGFPGJEH-QWHCGFSZSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCOC2CCCCC2)C[NH2+]1 ZINC000399080739 1166125750 /nfs/dbraw/zinc/12/57/50/1166125750.db2.gz RSYPQZYGFPGJEH-OLZOCXBDSA-N 2 2 240.391 2.066 20 0 BEADLP CS[C@@H](C)CC[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001208141514 969061406 /nfs/dbraw/zinc/06/14/06/969061406.db2.gz KNEAXOPYNVJRTG-JTQLQIEISA-N 2 2 239.388 2.149 20 0 BEADLP CS[C@@H](C)CC[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001208141514 969061415 /nfs/dbraw/zinc/06/14/15/969061415.db2.gz KNEAXOPYNVJRTG-JTQLQIEISA-N 2 2 239.388 2.149 20 0 BEADLP CS[C@@H](C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001208154753 969080355 /nfs/dbraw/zinc/08/03/55/969080355.db2.gz NREOALQGIJAPMM-XQQFMLRXSA-N 2 2 242.432 2.297 20 0 BEADLP CS[C@@H](C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001208154753 969080366 /nfs/dbraw/zinc/08/03/66/969080366.db2.gz NREOALQGIJAPMM-XQQFMLRXSA-N 2 2 242.432 2.297 20 0 BEADLP CS[C@@H](C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001208154753 969080375 /nfs/dbraw/zinc/08/03/75/969080375.db2.gz NREOALQGIJAPMM-XQQFMLRXSA-N 2 2 242.432 2.297 20 0 BEADLP CS[C@@H](C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001208154753 969080383 /nfs/dbraw/zinc/08/03/83/969080383.db2.gz NREOALQGIJAPMM-XQQFMLRXSA-N 2 2 242.432 2.297 20 0 BEADLP [NH3+][C@H]1CCC[C@H](CNc2cccc[nH+]2)C1 ZINC000227673334 1166259600 /nfs/dbraw/zinc/25/96/00/1166259600.db2.gz MUFJRLRJAPZSRY-QWRGUYRKSA-N 2 2 205.305 2.011 20 0 BEADLP CC[N@H+](CCC1CC1)C1CC[NH+](C)CC1 ZINC001208683832 969194131 /nfs/dbraw/zinc/19/41/31/969194131.db2.gz NLXCCUMJSDSXIZ-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CC[N@@H+](CCC1CC1)C1CC[NH+](C)CC1 ZINC001208683832 969194138 /nfs/dbraw/zinc/19/41/38/969194138.db2.gz NLXCCUMJSDSXIZ-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[C@@H](O)C[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001253550877 969222865 /nfs/dbraw/zinc/22/28/65/969222865.db2.gz LESDXRRAKVOKCX-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP [NH3+]CCc1[nH+]ccn1C1CCC(F)(F)CC1 ZINC001254207843 969540254 /nfs/dbraw/zinc/54/02/54/969540254.db2.gz FJKNDAZUAOEESK-UHFFFAOYSA-N 2 2 229.274 2.135 20 0 BEADLP CC[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000306899284 1166508156 /nfs/dbraw/zinc/50/81/56/1166508156.db2.gz ZVFXNEBHCWKROX-LBPRGKRZSA-N 2 2 242.313 2.491 20 0 BEADLP CC[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000306899284 1166508159 /nfs/dbraw/zinc/50/81/59/1166508159.db2.gz ZVFXNEBHCWKROX-LBPRGKRZSA-N 2 2 242.313 2.491 20 0 BEADLP C[NH+](Cc1cncs1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532366 969734275 /nfs/dbraw/zinc/73/42/75/969734275.db2.gz RVZOXPCSIJPVNQ-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP C(CC1CCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840636 969800933 /nfs/dbraw/zinc/80/09/33/969800933.db2.gz LAJGLGZLBPVHQI-AWEZNQCLSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCSCC2)C1 ZINC000109068495 1166593501 /nfs/dbraw/zinc/59/35/01/1166593501.db2.gz FMTLMPIMFHDRJW-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCSCC2)C1 ZINC000109068495 1166593508 /nfs/dbraw/zinc/59/35/08/1166593508.db2.gz FMTLMPIMFHDRJW-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1ccc(SC[C@@H](C)[NH2+][C@@H]2C[C@H]2[NH3+])cc1 ZINC001255759481 970470710 /nfs/dbraw/zinc/47/07/10/970470710.db2.gz WRHVCQUONFWKDC-RAIGVLPGSA-N 2 2 236.384 2.165 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000162863956 1166865490 /nfs/dbraw/zinc/86/54/90/1166865490.db2.gz RDQYFRUVUOTNFW-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(N[C@H]2C[N@@H+](C)C[C@H]2C)c(C)[nH+]1 ZINC000381530655 1166941786 /nfs/dbraw/zinc/94/17/86/1166941786.db2.gz YWHVBXFUOGQHIL-RNCFNFMXSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1ccc(N[C@H]2C[N@H+](C)C[C@H]2C)c(C)[nH+]1 ZINC000381530655 1166941790 /nfs/dbraw/zinc/94/17/90/1166941790.db2.gz YWHVBXFUOGQHIL-RNCFNFMXSA-N 2 2 219.332 2.060 20 0 BEADLP CC[C@@H]1CC[C@@H](n2c[nH+]c(C)c2CC[NH3+])C1 ZINC001173264508 975124941 /nfs/dbraw/zinc/12/49/41/975124941.db2.gz MLHXGFWCYBPBED-VXGBXAGGSA-N 2 2 221.348 2.444 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC000134027468 1167059140 /nfs/dbraw/zinc/05/91/40/1167059140.db2.gz WEJFHWKECCBVPP-NWDGAFQWSA-N 2 2 230.421 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC000134027468 1167059145 /nfs/dbraw/zinc/05/91/45/1167059145.db2.gz WEJFHWKECCBVPP-NWDGAFQWSA-N 2 2 230.421 2.200 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000309014870 1167239314 /nfs/dbraw/zinc/23/93/14/1167239314.db2.gz UMKZWBIKXAESMA-BBBLOLIVSA-N 2 2 236.281 2.141 20 0 BEADLP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000309014870 1167239317 /nfs/dbraw/zinc/23/93/17/1167239317.db2.gz UMKZWBIKXAESMA-BBBLOLIVSA-N 2 2 236.281 2.141 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000226297116 1167333449 /nfs/dbraw/zinc/33/34/49/1167333449.db2.gz MYVGHRCEAUJYFV-OCCSQVGLSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000226297116 1167333456 /nfs/dbraw/zinc/33/34/56/1167333456.db2.gz MYVGHRCEAUJYFV-OCCSQVGLSA-N 2 2 218.344 2.164 20 0 BEADLP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCCC(C)(C)C2)C1 ZINC000251582319 1167403865 /nfs/dbraw/zinc/40/38/65/1167403865.db2.gz CKTZUJWZXSRVSA-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCCC(C)(C)C2)C1 ZINC000251582319 1167403868 /nfs/dbraw/zinc/40/38/68/1167403868.db2.gz CKTZUJWZXSRVSA-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386029312 1167497430 /nfs/dbraw/zinc/49/74/30/1167497430.db2.gz QJUVXGRHEOCSHH-JQBPPHQNSA-N 2 2 208.349 2.073 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001180311047 978854348 /nfs/dbraw/zinc/85/43/48/978854348.db2.gz WPDCZTDOKVJGGY-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC001180311047 978854349 /nfs/dbraw/zinc/85/43/49/978854349.db2.gz WPDCZTDOKVJGGY-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CC/C=C\CC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327076 979536953 /nfs/dbraw/zinc/53/69/53/979536953.db2.gz JGNMZVSSLKVWNJ-ZRUQZJFASA-N 2 2 240.391 2.043 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC001236860513 979762684 /nfs/dbraw/zinc/76/26/84/979762684.db2.gz PXXSGNNPGGAOMW-NSHDSACASA-N 2 2 242.313 2.176 20 0 BEADLP CO[C@@H]1C[N@H+](C[C@H](C)CCC=C(C)C)C[C@@H]1[NH3+] ZINC001237101873 979816446 /nfs/dbraw/zinc/81/64/46/979816446.db2.gz MNJKMVJNLWKWBZ-HZSPNIEDSA-N 2 2 240.391 2.027 20 0 BEADLP CO[C@@H]1C[N@@H+](C[C@H](C)CCC=C(C)C)C[C@@H]1[NH3+] ZINC001237101873 979816452 /nfs/dbraw/zinc/81/64/52/979816452.db2.gz MNJKMVJNLWKWBZ-HZSPNIEDSA-N 2 2 240.391 2.027 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)CC1OC=CC1=S ZINC001237186819 979838170 /nfs/dbraw/zinc/83/81/70/979838170.db2.gz SBPGZWFVRWSQDP-UHFFFAOYSA-N 2 2 242.388 2.342 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)CC1OC=CC1=S ZINC001237186819 979838179 /nfs/dbraw/zinc/83/81/79/979838179.db2.gz SBPGZWFVRWSQDP-UHFFFAOYSA-N 2 2 242.388 2.342 20 0 BEADLP c1cc(OC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC001201911451 1168843456 /nfs/dbraw/zinc/84/34/56/1168843456.db2.gz YMIKPHBXBVFEKT-UHFFFAOYSA-N 2 2 232.327 2.335 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717049514 1168912525 /nfs/dbraw/zinc/91/25/25/1168912525.db2.gz SPGNXSNNJTUBRG-IVZWLZJFSA-N 2 2 238.297 2.244 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717049514 1168912531 /nfs/dbraw/zinc/91/25/31/1168912531.db2.gz SPGNXSNNJTUBRG-IVZWLZJFSA-N 2 2 238.297 2.244 20 0 BEADLP CCCC[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639182 1168947188 /nfs/dbraw/zinc/94/71/88/1168947188.db2.gz CIBRLGHKTWXTES-LLVKDONJSA-N 2 2 209.337 2.131 20 0 BEADLP CC[N@H+](CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001201440235 983239222 /nfs/dbraw/zinc/23/92/22/983239222.db2.gz CRHLFGSLKFJUFQ-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP CC[N@@H+](CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001201440235 983239236 /nfs/dbraw/zinc/23/92/36/983239236.db2.gz CRHLFGSLKFJUFQ-UHFFFAOYSA-N 2 2 212.381 2.449 20 0 BEADLP CCC(CC)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201535150 983288395 /nfs/dbraw/zinc/28/83/95/983288395.db2.gz YPYRJDKJFKRBDA-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201535150 983288401 /nfs/dbraw/zinc/28/84/01/983288401.db2.gz YPYRJDKJFKRBDA-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201535150 983288406 /nfs/dbraw/zinc/28/84/06/983288406.db2.gz YPYRJDKJFKRBDA-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201535150 983288411 /nfs/dbraw/zinc/28/84/11/983288411.db2.gz YPYRJDKJFKRBDA-KGLIPLIRSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201535155 983291654 /nfs/dbraw/zinc/29/16/54/983291654.db2.gz YPYRJDKJFKRBDA-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201535155 983291663 /nfs/dbraw/zinc/29/16/63/983291663.db2.gz YPYRJDKJFKRBDA-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201535155 983291679 /nfs/dbraw/zinc/29/16/79/983291679.db2.gz YPYRJDKJFKRBDA-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP Cc1c(O)cccc1C[N@H+](C)CCC[NH+](C)C ZINC001144107133 972599667 /nfs/dbraw/zinc/59/96/67/972599667.db2.gz HMINWWFUVJUAGV-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP C(=CC1CC[NH2+]CC1)Nc1cccc2[nH+]ccn21 ZINC001159106861 1169435540 /nfs/dbraw/zinc/43/55/40/1169435540.db2.gz IHGLAOBMAWRMEC-RMKNXTFCSA-N 2 2 242.326 2.260 20 0 BEADLP Cc1c(F)cc[nH+]c1N1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001164467642 1169456447 /nfs/dbraw/zinc/45/64/47/1169456447.db2.gz KTYBKNIRGSKSLQ-GXSJLCMTSA-N 2 2 237.322 2.093 20 0 BEADLP CCCc1cc(N2CCC[C@@H]([NH3+])[C@@H]2C)nc(C)[nH+]1 ZINC001157749092 970783207 /nfs/dbraw/zinc/78/32/07/970783207.db2.gz YSLKTDMMFLZZKN-GXFFZTMASA-N 2 2 248.374 2.054 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001256396759 970802706 /nfs/dbraw/zinc/80/27/06/970802706.db2.gz JZNUKIWYCGNQLD-KGLIPLIRSA-N 2 2 247.386 2.087 20 0 BEADLP COc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC001206053002 970805866 /nfs/dbraw/zinc/80/58/66/970805866.db2.gz DEKCBIWMVBNPGX-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP COc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC001206053002 970805869 /nfs/dbraw/zinc/80/58/69/970805869.db2.gz DEKCBIWMVBNPGX-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000403679389 971010532 /nfs/dbraw/zinc/01/05/32/971010532.db2.gz WEVQATLSUARNKW-IUCAKERBSA-N 2 2 237.174 2.222 20 0 BEADLP C[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000403679389 971010537 /nfs/dbraw/zinc/01/05/37/971010537.db2.gz WEVQATLSUARNKW-IUCAKERBSA-N 2 2 237.174 2.222 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403665316 971011516 /nfs/dbraw/zinc/01/15/16/971011516.db2.gz ZKQHXAOANMQLOS-YHWZYXNKSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403665316 971011534 /nfs/dbraw/zinc/01/15/34/971011534.db2.gz ZKQHXAOANMQLOS-YHWZYXNKSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)[NH+]1CCC([NH2+]CC(=O)C(C)(C)C)CC1 ZINC001257204284 971125067 /nfs/dbraw/zinc/12/50/67/971125067.db2.gz CJLGADIXRLTMFM-UHFFFAOYSA-N 2 2 240.391 2.064 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001257223951 971131878 /nfs/dbraw/zinc/13/18/78/971131878.db2.gz JWFMHKOSVOWKSM-OCCSQVGLSA-N 2 2 222.376 2.344 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001257223951 971131882 /nfs/dbraw/zinc/13/18/82/971131882.db2.gz JWFMHKOSVOWKSM-OCCSQVGLSA-N 2 2 222.376 2.344 20 0 BEADLP CCC[C@H](CC)n1c[nH+]c(C)c1CC[NH3+] ZINC001257244252 971138976 /nfs/dbraw/zinc/13/89/76/971138976.db2.gz FSOYZELHBYKIEJ-NSHDSACASA-N 2 2 209.337 2.444 20 0 BEADLP CCC(CC)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257296579 971183770 /nfs/dbraw/zinc/18/37/70/971183770.db2.gz MZIACMIEWKNZJX-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP CCC(CC)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257296579 971183771 /nfs/dbraw/zinc/18/37/71/971183771.db2.gz MZIACMIEWKNZJX-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1C ZINC000405779133 971304780 /nfs/dbraw/zinc/30/47/80/971304780.db2.gz DNDJWZLMPJTVTI-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1C ZINC000405779133 971304787 /nfs/dbraw/zinc/30/47/87/971304787.db2.gz DNDJWZLMPJTVTI-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170709850 971611808 /nfs/dbraw/zinc/61/18/08/971611808.db2.gz CWSZDTRJGZSSJQ-CLLJXQQHSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721879 971650052 /nfs/dbraw/zinc/65/00/52/971650052.db2.gz ZVILKIMXAKEYAD-YIYPIFLZSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC001170721879 971650063 /nfs/dbraw/zinc/65/00/63/971650063.db2.gz ZVILKIMXAKEYAD-YIYPIFLZSA-N 2 2 236.403 2.493 20 0 BEADLP CC1(C)[C@@H]2C[C@H]([NH2+]CCOc3cc[nH+]cc3)C[C@@H]21 ZINC001170738069 971688944 /nfs/dbraw/zinc/68/89/44/971688944.db2.gz DZDDLOWEJRMJLP-UBSAEIQESA-N 2 2 246.354 2.485 20 0 BEADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000218096609 971961285 /nfs/dbraw/zinc/96/12/85/971961285.db2.gz VOBHQFDSKWDSMU-UHFFFAOYSA-N 2 2 236.359 2.490 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC(C)(C)C1 ZINC001246090345 972144660 /nfs/dbraw/zinc/14/46/60/972144660.db2.gz DZKHXAGSQVNJMS-NDBYEHHHSA-N 2 2 242.382 2.491 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246095199 972148829 /nfs/dbraw/zinc/14/88/29/972148829.db2.gz ZVKFYWBOBTUIHT-ZIAGYGMSSA-N 2 2 242.407 2.313 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170959409 972163238 /nfs/dbraw/zinc/16/32/38/972163238.db2.gz YLIUIGVTEBSWDP-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001170959409 972163241 /nfs/dbraw/zinc/16/32/41/972163241.db2.gz YLIUIGVTEBSWDP-QWHCGFSZSA-N 2 2 248.345 2.106 20 0 BEADLP CC(C)c1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)on1 ZINC001246238916 972245049 /nfs/dbraw/zinc/24/50/49/972245049.db2.gz QRAAUWDTPUSCSA-WDEREUQCSA-N 2 2 237.347 2.028 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cc(F)ccc12 ZINC000705546679 957325601 /nfs/dbraw/zinc/32/56/01/957325601.db2.gz OLTUNMFZEFLGBZ-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cc(F)ccc12 ZINC000705546679 957325613 /nfs/dbraw/zinc/32/56/13/957325613.db2.gz OLTUNMFZEFLGBZ-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP CCCCC[C@H](CC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246288648 972260466 /nfs/dbraw/zinc/26/04/66/972260466.db2.gz BPWOSZXEFHUYBV-HZSPNIEDSA-N 2 2 242.407 2.312 20 0 BEADLP COc1cc[nH+]c(Nc2c[nH+]c(N)cc2C)c1 ZINC001209962192 957587777 /nfs/dbraw/zinc/58/77/77/957587777.db2.gz SNIGFMJEQFDATQ-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)s1 ZINC001210497106 957764103 /nfs/dbraw/zinc/76/41/03/957764103.db2.gz LCDWQENBIOXFJA-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)s1 ZINC001210497106 957764110 /nfs/dbraw/zinc/76/41/10/957764110.db2.gz LCDWQENBIOXFJA-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP C[C@H](COc1ccccc1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246330167 972291706 /nfs/dbraw/zinc/29/17/06/972291706.db2.gz VIBAUWQBPMLJGY-MJBXVCDLSA-N 2 2 248.370 2.184 20 0 BEADLP C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246330164 972292323 /nfs/dbraw/zinc/29/23/23/972292323.db2.gz VIBAUWQBPMLJGY-MGPQQGTHSA-N 2 2 248.370 2.184 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246338057 972297568 /nfs/dbraw/zinc/29/75/68/972297568.db2.gz WHGZFSOIXOPSRM-STQMWFEESA-N 2 2 244.448 2.496 20 0 BEADLP Cc1cccc2[nH+]cc(Nc3c[nH+]cn3C)n21 ZINC001211248113 958114298 /nfs/dbraw/zinc/11/42/98/958114298.db2.gz JIVMDMBGEPEPFQ-UHFFFAOYSA-N 2 2 227.271 2.120 20 0 BEADLP CCc1cccc(NCc2cc[nH+]c(N)c2)[nH+]1 ZINC001167616243 959086367 /nfs/dbraw/zinc/08/63/67/959086367.db2.gz AZQVIQKUIDDFPP-UHFFFAOYSA-N 2 2 228.299 2.233 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001222237224 972414255 /nfs/dbraw/zinc/41/42/55/972414255.db2.gz GGASJBNCJTULHK-CQSZACIVSA-N 2 2 233.359 2.041 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001222237224 972414262 /nfs/dbraw/zinc/41/42/62/972414262.db2.gz GGASJBNCJTULHK-CQSZACIVSA-N 2 2 233.359 2.041 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001222237879 972421635 /nfs/dbraw/zinc/42/16/35/972421635.db2.gz WDRCDJFFYUPJQN-OAHLLOKOSA-N 2 2 247.386 2.350 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)[nH]1 ZINC001222237879 972421642 /nfs/dbraw/zinc/42/16/42/972421642.db2.gz WDRCDJFFYUPJQN-OAHLLOKOSA-N 2 2 247.386 2.350 20 0 BEADLP c1c[nH+]c(-c2ccc(O[C@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC001218284978 959949885 /nfs/dbraw/zinc/94/98/85/959949885.db2.gz DRZGFZWBMDWFBE-ZDUSSCGKSA-N 2 2 243.310 2.208 20 0 BEADLP Cc1cccnc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000227869160 960485720 /nfs/dbraw/zinc/48/57/20/960485720.db2.gz VXLMIERAIIOCQD-UHFFFAOYSA-N 2 2 235.375 2.210 20 0 BEADLP Cc1cccnc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000227869160 960485733 /nfs/dbraw/zinc/48/57/33/960485733.db2.gz VXLMIERAIIOCQD-UHFFFAOYSA-N 2 2 235.375 2.210 20 0 BEADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCCC1 ZINC001140799623 960580917 /nfs/dbraw/zinc/58/09/17/960580917.db2.gz JCUMKVKPQZPDHE-UHFFFAOYSA-N 2 2 201.273 2.159 20 0 BEADLP F[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802553 960588501 /nfs/dbraw/zinc/58/85/01/960588501.db2.gz YSHSTIMSLXTANS-SNVBAGLBSA-N 2 2 219.263 2.107 20 0 BEADLP F[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802553 960588517 /nfs/dbraw/zinc/58/85/17/960588517.db2.gz YSHSTIMSLXTANS-SNVBAGLBSA-N 2 2 219.263 2.107 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC001172435348 974675737 /nfs/dbraw/zinc/67/57/37/974675737.db2.gz CFPIMCXOYCCKHU-KGLIPLIRSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC001172435348 974675743 /nfs/dbraw/zinc/67/57/43/974675743.db2.gz CFPIMCXOYCCKHU-KGLIPLIRSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000686667766 960777613 /nfs/dbraw/zinc/77/76/13/960777613.db2.gz NWKQSAFHFMAJPM-HIFRSBDPSA-N 2 2 244.382 2.258 20 0 BEADLP CC(C)(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000686667766 960777606 /nfs/dbraw/zinc/77/76/06/960777606.db2.gz NWKQSAFHFMAJPM-HIFRSBDPSA-N 2 2 244.382 2.258 20 0 BEADLP Cc1nc(NC2(C)CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC000709784445 961574293 /nfs/dbraw/zinc/57/42/93/961574293.db2.gz LNQMENWBGBDOMY-UHFFFAOYSA-N 2 2 248.374 2.462 20 0 BEADLP Cc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc(C(C)C)[nH+]1 ZINC000709794637 961583246 /nfs/dbraw/zinc/58/32/46/961583246.db2.gz FEKMULQLFOTOBK-QWRGUYRKSA-N 2 2 248.374 2.095 20 0 BEADLP Cc1cccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c1C ZINC000709829943 961683449 /nfs/dbraw/zinc/68/34/49/961683449.db2.gz YRJVUMRESYOAIY-UHFFFAOYSA-N 2 2 244.382 2.489 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C)C2)cc(C(C)C)[nH+]1 ZINC000709849929 961719110 /nfs/dbraw/zinc/71/91/10/961719110.db2.gz PBSPGDLXQOZKDS-NSHDSACASA-N 2 2 234.347 2.024 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C)C2)cc(C(C)C)[nH+]1 ZINC000709849929 961719138 /nfs/dbraw/zinc/71/91/38/961719138.db2.gz PBSPGDLXQOZKDS-NSHDSACASA-N 2 2 234.347 2.024 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911920 961820666 /nfs/dbraw/zinc/82/06/66/961820666.db2.gz FGZLHXPSADTNAV-RFQIPJPRSA-N 2 2 222.376 2.105 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167911920 961820669 /nfs/dbraw/zinc/82/06/69/961820669.db2.gz FGZLHXPSADTNAV-RFQIPJPRSA-N 2 2 222.376 2.105 20 0 BEADLP CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(N)c[nH+]1 ZINC001156771296 963456982 /nfs/dbraw/zinc/45/69/82/963456982.db2.gz QNILSWVNODTLLL-UHFFFAOYSA-N 2 2 248.374 2.149 20 0 BEADLP Cn1ccc2cc(C[NH+]3CC[C@@](C)([NH3+])C3)ccc21 ZINC001204783994 963550536 /nfs/dbraw/zinc/55/05/36/963550536.db2.gz XHRCCWIUCYWMSO-OAHLLOKOSA-N 2 2 243.354 2.101 20 0 BEADLP CC[C@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157236341 963560173 /nfs/dbraw/zinc/56/01/73/963560173.db2.gz AMJVVUITRLVZDK-LBPRGKRZSA-N 2 2 248.374 2.044 20 0 BEADLP CCOc1cc(NC2=CC[NH2+]CC2)cc(C)[nH+]1 ZINC001159253744 964032939 /nfs/dbraw/zinc/03/29/39/964032939.db2.gz HOOKNKXJEZGNPO-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP Nc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)c[nH+]1 ZINC001159281065 964054177 /nfs/dbraw/zinc/05/41/77/964054177.db2.gz NKKLZQQQGKDEFS-UHFFFAOYSA-N 2 2 240.310 2.053 20 0 BEADLP CCN(C)c1ccc(NC=C2CC[NH2+]CC2)c[nH+]1 ZINC001159363913 964069117 /nfs/dbraw/zinc/06/91/17/964069117.db2.gz FRLFKAXJPYZFBZ-UHFFFAOYSA-N 2 2 246.358 2.217 20 0 BEADLP c1[nH]c2c(cccc2Nc2cc[nH+]cc2)[nH+]1 ZINC001213026191 964410980 /nfs/dbraw/zinc/41/09/80/964410980.db2.gz MSDLQPMFDVSENH-UHFFFAOYSA-N 2 2 210.240 2.123 20 0 BEADLP Cc1cc(NCC[NH+](C)C)ccc1[NH+](C)C ZINC001161673094 964678451 /nfs/dbraw/zinc/67/84/51/964678451.db2.gz XNVCGBKAMIVVON-UHFFFAOYSA-N 2 2 221.348 2.035 20 0 BEADLP Cc1cc(NCCCC[NH+](C)C)c[nH+]c1C ZINC001161731214 964719321 /nfs/dbraw/zinc/71/93/21/964719321.db2.gz VJAQVXJAQHVSMP-UHFFFAOYSA-N 2 2 221.348 2.452 20 0 BEADLP Cn1c[nH+]c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)cc21 ZINC001162396558 964954725 /nfs/dbraw/zinc/95/47/25/964954725.db2.gz LIVVCCAYZPKUPC-GHMZBOCLSA-N 2 2 244.342 2.255 20 0 BEADLP Cc1cc[nH+]cc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162457387 964985205 /nfs/dbraw/zinc/98/52/05/964985205.db2.gz OKFMZSDRVVXUCK-QWHCGFSZSA-N 2 2 233.359 2.438 20 0 BEADLP Cc1[nH+]cccc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162465191 964988717 /nfs/dbraw/zinc/98/87/17/964988717.db2.gz DKUQPTMDGFPTDI-DGCLKSJQSA-N 2 2 233.359 2.438 20 0 BEADLP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)ccc1[NH+](C)C ZINC001162559022 965047168 /nfs/dbraw/zinc/04/71/68/965047168.db2.gz IMQSDADNOBOTPH-CHWSQXEVSA-N 2 2 247.386 2.471 20 0 BEADLP C1=C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000698237137 965125777 /nfs/dbraw/zinc/12/57/77/965125777.db2.gz GXQDNTLSIIZISN-ZDUSSCGKSA-N 2 2 243.354 2.359 20 0 BEADLP FC(F)C1C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168395176 965144266 /nfs/dbraw/zinc/14/42/66/965144266.db2.gz PAFRLVUMGRWSBN-UHFFFAOYSA-N 2 2 244.329 2.058 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCCCC3)C[C@@H]21 ZINC001257461549 1169868747 /nfs/dbraw/zinc/86/87/47/1169868747.db2.gz VDNIWBMEYLLABW-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCCC3)C[C@@H]21 ZINC001257461549 1169868764 /nfs/dbraw/zinc/86/87/64/1169868764.db2.gz VDNIWBMEYLLABW-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]21 ZINC001257461549 1169868786 /nfs/dbraw/zinc/86/87/86/1169868786.db2.gz VDNIWBMEYLLABW-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]21 ZINC001257461549 1169868801 /nfs/dbraw/zinc/86/88/01/1169868801.db2.gz VDNIWBMEYLLABW-OCCSQVGLSA-N 2 2 222.376 2.345 20 0 BEADLP CSc1cc[nH+]c(N(C)CCC[NH+](C)C)c1 ZINC001163598371 965473137 /nfs/dbraw/zinc/47/31/37/965473137.db2.gz RUZYMAHASJYSOI-UHFFFAOYSA-N 2 2 239.388 2.191 20 0 BEADLP Cc1[nH+]ccn1CCNc1ccc2[nH]c[nH+]c2c1 ZINC001163927812 965640401 /nfs/dbraw/zinc/64/04/01/965640401.db2.gz DQMNGADRUZILRQ-UHFFFAOYSA-N 2 2 241.298 2.180 20 0 BEADLP COc1ccc(NCCn2cc[nH+]c2C)[nH+]c1C ZINC001163933045 965646331 /nfs/dbraw/zinc/64/63/31/965646331.db2.gz KSJGASIKJIKNCV-UHFFFAOYSA-N 2 2 246.314 2.016 20 0 BEADLP Cc1cc(N(CCC[NH3+])C(C)C)c[nH+]c1C ZINC001164122578 965746490 /nfs/dbraw/zinc/74/64/90/965746490.db2.gz JKRZYMNSVACITQ-UHFFFAOYSA-N 2 2 221.348 2.262 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)n1cc[nH+]c1CC[NH3+] ZINC001168455668 965758343 /nfs/dbraw/zinc/75/83/43/965758343.db2.gz HVVOZUNXWWOMJY-NSHDSACASA-N 2 2 247.317 2.327 20 0 BEADLP CC[NH+](CC)c1ccc(C)c(N2CC[C@H]([NH3+])C2)c1 ZINC001164289563 965834891 /nfs/dbraw/zinc/83/48/91/965834891.db2.gz ZMGCLGBOUIUTFZ-ZDUSSCGKSA-N 2 2 247.386 2.379 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](CCCc1ccccc1F)C2 ZINC001235980509 966197018 /nfs/dbraw/zinc/19/70/18/966197018.db2.gz PSCGMKQKIQVFFI-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1F)C2 ZINC001235980509 966197025 /nfs/dbraw/zinc/19/70/25/966197025.db2.gz PSCGMKQKIQVFFI-UKRRQHHQSA-N 2 2 248.345 2.181 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC001205177548 966272446 /nfs/dbraw/zinc/27/24/46/966272446.db2.gz SOZOTPUEYVIQJL-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1C ZINC001205177548 966272455 /nfs/dbraw/zinc/27/24/55/966272455.db2.gz SOZOTPUEYVIQJL-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001236171589 966290667 /nfs/dbraw/zinc/29/06/67/966290667.db2.gz UTEAVOWKWFPJKO-CQSZACIVSA-N 2 2 241.338 2.010 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001236171589 966290685 /nfs/dbraw/zinc/29/06/85/966290685.db2.gz UTEAVOWKWFPJKO-CQSZACIVSA-N 2 2 241.338 2.010 20 0 BEADLP Cc1ccnc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c12 ZINC001236175056 966301524 /nfs/dbraw/zinc/30/15/24/966301524.db2.gz YLLASSOITOSBNP-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccnc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c12 ZINC001236175056 966301539 /nfs/dbraw/zinc/30/15/39/966301539.db2.gz YLLASSOITOSBNP-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP CCSc1cc[nH+]c(N2CCC([NH3+])CC2)c1 ZINC001166665679 966349649 /nfs/dbraw/zinc/34/96/49/966349649.db2.gz GUQINVRIDGQLTH-UHFFFAOYSA-N 2 2 237.372 2.121 20 0 BEADLP CCCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236330049 966367933 /nfs/dbraw/zinc/36/79/33/966367933.db2.gz SZJLGPLENNPKJG-AWEZNQCLSA-N 2 2 242.407 2.267 20 0 BEADLP CCCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236330049 966367952 /nfs/dbraw/zinc/36/79/52/966367952.db2.gz SZJLGPLENNPKJG-AWEZNQCLSA-N 2 2 242.407 2.267 20 0 BEADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccco3)C[C@@H]2C1 ZINC001203284427 966600174 /nfs/dbraw/zinc/60/01/74/966600174.db2.gz BQLAXVDYXAGEFP-STQMWFEESA-N 2 2 234.343 2.053 20 0 BEADLP CCc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236870976 966608301 /nfs/dbraw/zinc/60/83/01/966608301.db2.gz VEEKMRYWXGVZCG-AWEZNQCLSA-N 2 2 220.360 2.418 20 0 BEADLP CCc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC)c1 ZINC001236870976 966608308 /nfs/dbraw/zinc/60/83/08/966608308.db2.gz VEEKMRYWXGVZCG-AWEZNQCLSA-N 2 2 220.360 2.418 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001204002465 966845499 /nfs/dbraw/zinc/84/54/99/966845499.db2.gz OAOHVWWLLIUGQK-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001204002465 966845502 /nfs/dbraw/zinc/84/55/02/966845502.db2.gz OAOHVWWLLIUGQK-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[N@H+](Cc1ccc[nH]1)C1CC[NH+](C)CC1 ZINC001204010969 966853084 /nfs/dbraw/zinc/85/30/84/966853084.db2.gz UHKDCONFIXHNCB-UHFFFAOYSA-N 2 2 235.375 2.319 20 0 BEADLP CC(C)[N@@H+](Cc1ccc[nH]1)C1CC[NH+](C)CC1 ZINC001204010969 966853088 /nfs/dbraw/zinc/85/30/88/966853088.db2.gz UHKDCONFIXHNCB-UHFFFAOYSA-N 2 2 235.375 2.319 20 0 BEADLP CC(C)[N@H+](Cc1ccccn1)C1CC[NH+](C)CC1 ZINC001204066187 966877263 /nfs/dbraw/zinc/87/72/63/966877263.db2.gz UTDRIFNNPVIXLM-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC(C)[N@@H+](Cc1ccccn1)C1CC[NH+](C)CC1 ZINC001204066187 966877266 /nfs/dbraw/zinc/87/72/66/966877266.db2.gz UTDRIFNNPVIXLM-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC(C)[N@H+](Cc1ccncc1)C1CC[NH+](C)CC1 ZINC001204081895 966886207 /nfs/dbraw/zinc/88/62/07/966886207.db2.gz LNCMGBMQPSETKH-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP CC(C)[N@@H+](Cc1ccncc1)C1CC[NH+](C)CC1 ZINC001204081895 966886213 /nfs/dbraw/zinc/88/62/13/966886213.db2.gz LNCMGBMQPSETKH-UHFFFAOYSA-N 2 2 247.386 2.386 20 0 BEADLP COc1cc(Nc2ccc[nH+]c2N)[nH+]cc1C ZINC001212398339 967036659 /nfs/dbraw/zinc/03/66/59/967036659.db2.gz PHASXWKJBHHFNS-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP Cc1cc(Nc2cccn3cc[nH+]c23)c[nH+]c1N ZINC001249781640 967056571 /nfs/dbraw/zinc/05/65/71/967056571.db2.gz JGPWFOSJZURIMF-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP Cc1cccc2c(C[N@@H+]3CC[C@](C)([NH3+])C3)c[nH]c21 ZINC001204770298 967159191 /nfs/dbraw/zinc/15/91/91/967159191.db2.gz CPNNUZIJWSQJRT-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc2c(C[N@H+]3CC[C@](C)([NH3+])C3)c[nH]c21 ZINC001204770298 967159201 /nfs/dbraw/zinc/15/92/01/967159201.db2.gz CPNNUZIJWSQJRT-HNNXBMFYSA-N 2 2 243.354 2.399 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904278 967226770 /nfs/dbraw/zinc/22/67/70/967226770.db2.gz NAWZYZUKWKCOFU-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904278 967226780 /nfs/dbraw/zinc/22/67/80/967226780.db2.gz NAWZYZUKWKCOFU-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cs1 ZINC001205089130 967337507 /nfs/dbraw/zinc/33/75/07/967337507.db2.gz YKUQZTFIECXHDR-CABZTGNLSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cs1 ZINC001205089130 967337514 /nfs/dbraw/zinc/33/75/14/967337514.db2.gz YKUQZTFIECXHDR-CABZTGNLSA-N 2 2 224.373 2.368 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ncccc2Cl)CC1 ZINC001205116697 967366132 /nfs/dbraw/zinc/36/61/32/967366132.db2.gz GUDPGZGKSSBRED-JTQLQIEISA-N 2 2 239.750 2.048 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ncccc2Cl)CC1 ZINC001205116697 967366137 /nfs/dbraw/zinc/36/61/37/967366137.db2.gz GUDPGZGKSSBRED-JTQLQIEISA-N 2 2 239.750 2.048 20 0 BEADLP Cc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)c[nH]c21 ZINC001205177559 967409173 /nfs/dbraw/zinc/40/91/73/967409173.db2.gz UWBKKNRHBSNOMO-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)c[nH]c21 ZINC001205177559 967409180 /nfs/dbraw/zinc/40/91/80/967409180.db2.gz UWBKKNRHBSNOMO-BXUZGUMPSA-N 2 2 243.354 2.398 20 0 BEADLP Cc1scnc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205281142 967472346 /nfs/dbraw/zinc/47/23/46/967472346.db2.gz QGONLMMNOOWQSV-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1scnc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205281142 967472354 /nfs/dbraw/zinc/47/23/54/967472354.db2.gz QGONLMMNOOWQSV-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ncccc1C ZINC001205814074 967835304 /nfs/dbraw/zinc/83/53/04/967835304.db2.gz STWVGHAGYLSFIN-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ncccc1C ZINC001205814074 967835305 /nfs/dbraw/zinc/83/53/05/967835305.db2.gz STWVGHAGYLSFIN-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])[nH]1 ZINC001205819558 967835683 /nfs/dbraw/zinc/83/56/83/967835683.db2.gz YDVOLQPKFFKICU-ZWNOBZJWSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])[nH]1 ZINC001205819558 967835684 /nfs/dbraw/zinc/83/56/84/967835684.db2.gz YDVOLQPKFFKICU-ZWNOBZJWSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(C)n1 ZINC001205845372 967851638 /nfs/dbraw/zinc/85/16/38/967851638.db2.gz ZVLJZYFJCLEQSS-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc(C)n1 ZINC001205845372 967851645 /nfs/dbraw/zinc/85/16/45/967851645.db2.gz ZVLJZYFJCLEQSS-NHYWBVRUSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](CC2OC=CC2=S)C1 ZINC001205854364 967855964 /nfs/dbraw/zinc/85/59/64/967855964.db2.gz KADIFXBQFYAQIJ-VHSXEESVSA-N 2 2 240.372 2.128 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](CC2OC=CC2=S)C1 ZINC001205854364 967855968 /nfs/dbraw/zinc/85/59/68/967855968.db2.gz KADIFXBQFYAQIJ-VHSXEESVSA-N 2 2 240.372 2.128 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1[NH3+] ZINC001205868382 967865147 /nfs/dbraw/zinc/86/51/47/967865147.db2.gz BNOUNFBDHXCDQW-RISCZKNCSA-N 2 2 243.354 2.337 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H]1[NH3+] ZINC001205868382 967865154 /nfs/dbraw/zinc/86/51/54/967865154.db2.gz BNOUNFBDHXCDQW-RISCZKNCSA-N 2 2 243.354 2.337 20 0 BEADLP COc1ccc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205889030 967874679 /nfs/dbraw/zinc/87/46/79/967874679.db2.gz PBGLFEYJALVQMN-DOMZBBRYSA-N 2 2 248.370 2.173 20 0 BEADLP COc1ccc(C)c(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205889030 967874687 /nfs/dbraw/zinc/87/46/87/967874687.db2.gz PBGLFEYJALVQMN-DOMZBBRYSA-N 2 2 248.370 2.173 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206043684 968006516 /nfs/dbraw/zinc/00/65/16/968006516.db2.gz RKJHFKURANVTEO-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206043684 968006519 /nfs/dbraw/zinc/00/65/19/968006519.db2.gz RKJHFKURANVTEO-IUODEOHRSA-N 2 2 232.371 2.418 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3ncsc32)C[C@H]1[NH3+] ZINC001206070150 968039599 /nfs/dbraw/zinc/03/95/99/968039599.db2.gz CBWQYXYCMVMQAR-MWLCHTKSSA-N 2 2 247.367 2.075 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3ncsc32)C[C@H]1[NH3+] ZINC001206070150 968039607 /nfs/dbraw/zinc/03/96/07/968039607.db2.gz CBWQYXYCMVMQAR-MWLCHTKSSA-N 2 2 247.367 2.075 20 0 BEADLP Cc1nc(N(C)CC[NH3+])cc(C2CCCCC2)[nH+]1 ZINC001163688189 968096166 /nfs/dbraw/zinc/09/61/66/968096166.db2.gz RZIVTPOALWMLIJ-UHFFFAOYSA-N 2 2 248.374 2.228 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccccc1C1CC1 ZINC001118506720 968171146 /nfs/dbraw/zinc/17/11/46/968171146.db2.gz POGZBSOFGGUVHH-UHFFFAOYSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccccc1C1CC1 ZINC001118506720 968171153 /nfs/dbraw/zinc/17/11/53/968171153.db2.gz POGZBSOFGGUVHH-UHFFFAOYSA-N 2 2 242.366 2.487 20 0 BEADLP CS[C@@H](C)CC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334965 968239639 /nfs/dbraw/zinc/23/96/39/968239639.db2.gz BIVFUTXTSFMPHV-RYUDHWBXSA-N 2 2 248.411 2.281 20 0 BEADLP CS[C@@H](C)CC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206334965 968239647 /nfs/dbraw/zinc/23/96/47/968239647.db2.gz BIVFUTXTSFMPHV-RYUDHWBXSA-N 2 2 248.411 2.281 20 0 BEADLP Cc1cn2c(cccc2Nc2cc[nH+]c(N)c2)[nH+]1 ZINC001206521653 968352359 /nfs/dbraw/zinc/35/23/59/968352359.db2.gz AUHUCSKDDPWXHI-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2ccc3cccnc3c2)C1 ZINC001206718608 968442077 /nfs/dbraw/zinc/44/20/77/968442077.db2.gz VVIKGATULYKYMU-UHFFFAOYSA-N 2 2 241.338 2.015 20 0 BEADLP CCc1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206730273 968445132 /nfs/dbraw/zinc/44/51/32/968445132.db2.gz QEXXNKOOUMJCAU-UHFFFAOYSA-N 2 2 218.344 2.030 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC3CCC2CC3)n1C ZINC001206793865 968479219 /nfs/dbraw/zinc/47/92/19/968479219.db2.gz FXJRLJOUHOHZBX-UHFFFAOYSA-N 2 2 219.332 2.103 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC3CCC2CC3)n1C ZINC001206793865 968479221 /nfs/dbraw/zinc/47/92/21/968479221.db2.gz FXJRLJOUHOHZBX-UHFFFAOYSA-N 2 2 219.332 2.103 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccnc1C ZINC001207154953 968665481 /nfs/dbraw/zinc/66/54/81/968665481.db2.gz YLHVIGNWHVALGH-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccnc1C ZINC001207154953 968665485 /nfs/dbraw/zinc/66/54/85/968665485.db2.gz YLHVIGNWHVALGH-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP COc1cc(C)c[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001154985250 968839303 /nfs/dbraw/zinc/83/93/03/968839303.db2.gz BRQSQHQCGHIDBS-GHMZBOCLSA-N 2 2 235.331 2.080 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207763488 968868597 /nfs/dbraw/zinc/86/85/97/968868597.db2.gz QMFOPOBKOZVILH-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207763488 968868601 /nfs/dbraw/zinc/86/86/01/968868601.db2.gz QMFOPOBKOZVILH-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC000379437471 969145449 /nfs/dbraw/zinc/14/54/49/969145449.db2.gz MEQVXFVXJACDIY-AAEUAGOBSA-N 2 2 212.381 2.352 20 0 BEADLP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001253520958 969198001 /nfs/dbraw/zinc/19/80/01/969198001.db2.gz XVPRXRUJMVUFFB-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001253520958 969198003 /nfs/dbraw/zinc/19/80/03/969198003.db2.gz XVPRXRUJMVUFFB-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169079214 969397114 /nfs/dbraw/zinc/39/71/14/969397114.db2.gz JYKPVYPOYCSIJZ-QDMKHBRRSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169079214 969397123 /nfs/dbraw/zinc/39/71/23/969397123.db2.gz JYKPVYPOYCSIJZ-QDMKHBRRSA-N 2 2 245.370 2.105 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]COc1ccccc1)C2 ZINC001169107449 969445110 /nfs/dbraw/zinc/44/51/10/969445110.db2.gz HCESSNSZOQZACQ-ZSOGYDGISA-N 2 2 246.354 2.238 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]COc1ccccc1)C2 ZINC001169107449 969445116 /nfs/dbraw/zinc/44/51/16/969445116.db2.gz HCESSNSZOQZACQ-ZSOGYDGISA-N 2 2 246.354 2.238 20 0 BEADLP CC[NH+]1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC001169244143 969531289 /nfs/dbraw/zinc/53/12/89/969531289.db2.gz DBARQCDVXCEZLU-UHFFFAOYSA-N 2 2 232.318 2.202 20 0 BEADLP C[N@H+](Cc1cccs1)Cc1c[nH+]ccc1N ZINC001209730649 969584632 /nfs/dbraw/zinc/58/46/32/969584632.db2.gz DYEBLAZQEIJXFI-UHFFFAOYSA-N 2 2 233.340 2.188 20 0 BEADLP C[N@@H+](Cc1cccs1)Cc1c[nH+]ccc1N ZINC001209730649 969584638 /nfs/dbraw/zinc/58/46/38/969584638.db2.gz DYEBLAZQEIJXFI-UHFFFAOYSA-N 2 2 233.340 2.188 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C[C@H]1C ZINC001209730526 969590400 /nfs/dbraw/zinc/59/04/00/969590400.db2.gz WDLZXDLONDRFHI-NWDGAFQWSA-N 2 2 233.359 2.362 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C[C@H]1C ZINC001209730526 969590406 /nfs/dbraw/zinc/59/04/06/969590406.db2.gz WDLZXDLONDRFHI-NWDGAFQWSA-N 2 2 233.359 2.362 20 0 BEADLP CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001254488405 969655539 /nfs/dbraw/zinc/65/55/39/969655539.db2.gz VMYCLMGQPYDMMT-RRFJBIMHSA-N 2 2 232.371 2.477 20 0 BEADLP Cc1cc2c(cn1)C[NH+]([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254525444 969722269 /nfs/dbraw/zinc/72/22/69/969722269.db2.gz IRIFJSPWPDLOJJ-OAHLLOKOSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1cc2c(cn1)C[NH+]([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254525444 969722275 /nfs/dbraw/zinc/72/22/75/969722275.db2.gz IRIFJSPWPDLOJJ-OAHLLOKOSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1cc2c(cn1)C[N@@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254525444 969722284 /nfs/dbraw/zinc/72/22/84/969722284.db2.gz IRIFJSPWPDLOJJ-OAHLLOKOSA-N 2 2 245.370 2.190 20 0 BEADLP Cc1cc2c(cn1)C[N@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254525444 969722291 /nfs/dbraw/zinc/72/22/91/969722291.db2.gz IRIFJSPWPDLOJJ-OAHLLOKOSA-N 2 2 245.370 2.190 20 0 BEADLP C[N@H+](Cc1cncs1)[C@@H]1CCC[NH+](C)CC1 ZINC001254532366 969734251 /nfs/dbraw/zinc/73/42/51/969734251.db2.gz RVZOXPCSIJPVNQ-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP C[N@@H+](Cc1cncs1)[C@@H]1CCC[NH+](C)CC1 ZINC001254532366 969734259 /nfs/dbraw/zinc/73/42/59/969734259.db2.gz RVZOXPCSIJPVNQ-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](Cc1cncs1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532366 969734266 /nfs/dbraw/zinc/73/42/66/969734266.db2.gz RVZOXPCSIJPVNQ-LLVKDONJSA-N 2 2 239.388 2.059 20 0 BEADLP Cn1c[nH+]c2ccc(NCC[C@H]3CCC[NH2+]3)cc21 ZINC001169564502 969758479 /nfs/dbraw/zinc/75/84/79/969758479.db2.gz OETJXYBLNCXAMR-LLVKDONJSA-N 2 2 244.342 2.127 20 0 BEADLP Cc1cc(NCC[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC001169564844 969763406 /nfs/dbraw/zinc/76/34/06/969763406.db2.gz WVZBJGFTBFXQFE-GFCCVEGCSA-N 2 2 219.332 2.252 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254830835 969793215 /nfs/dbraw/zinc/79/32/15/969793215.db2.gz IBLRHGUOTZANJL-WCQYABFASA-N 2 2 210.365 2.105 20 0 BEADLP C1C[C@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254852837 969805111 /nfs/dbraw/zinc/80/51/11/969805111.db2.gz JHPAKWWKHLJDAV-ZNMIVQPWSA-N 2 2 234.387 2.203 20 0 BEADLP C1C[C@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]2C1 ZINC001254852837 969805112 /nfs/dbraw/zinc/80/51/12/969805112.db2.gz JHPAKWWKHLJDAV-ZNMIVQPWSA-N 2 2 234.387 2.203 20 0 BEADLP C1[NH+]([C@H]2CC3CC[NH+](CC3)C2)CC12CCCC2 ZINC001254855279 969808283 /nfs/dbraw/zinc/80/82/83/969808283.db2.gz MJLWFZJYFWJJSV-AWEZNQCLSA-N 2 2 234.387 2.347 20 0 BEADLP C1CC12CCC[N@@H+]2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853769 969808918 /nfs/dbraw/zinc/80/89/18/969808918.db2.gz QYCZLRGJNDBGTL-CYBMUJFWSA-N 2 2 220.360 2.099 20 0 BEADLP C1CC12CCC[N@H+]2[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853769 969808921 /nfs/dbraw/zinc/80/89/21/969808921.db2.gz QYCZLRGJNDBGTL-CYBMUJFWSA-N 2 2 220.360 2.099 20 0 BEADLP Cc1[nH+]cc(Nc2cc[nH+]c3c2CCC3)cc1N ZINC001210287119 969854783 /nfs/dbraw/zinc/85/47/83/969854783.db2.gz LKVYVBKBWFTIKV-UHFFFAOYSA-N 2 2 240.310 2.021 20 0 BEADLP C[NH2+]Cc1cccc(N(C)c2[nH+]cccc2N)c1 ZINC001211134222 970159048 /nfs/dbraw/zinc/15/90/48/970159048.db2.gz FATHWRMWWSWOHN-UHFFFAOYSA-N 2 2 242.326 2.151 20 0 BEADLP Cc1cc(C)[nH+]c(Nc2c[nH+]cn2C)c1 ZINC001211246185 970190794 /nfs/dbraw/zinc/19/07/94/970190794.db2.gz YHRJRHHRXCLEED-UHFFFAOYSA-N 2 2 202.261 2.176 20 0 BEADLP Cn1c[nH+]cc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001211248791 970196638 /nfs/dbraw/zinc/19/66/38/970196638.db2.gz FPQXPUJPJRJBKO-UHFFFAOYSA-N 2 2 239.282 2.349 20 0 BEADLP Cc1[nH+]cn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1N ZINC001213087257 970270297 /nfs/dbraw/zinc/27/02/97/970270297.db2.gz NHZMKAKDNAQCOK-UHFFFAOYSA-N 2 2 239.282 2.153 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1c[nH+]c(C)cc1C ZINC001213510888 970337441 /nfs/dbraw/zinc/33/74/41/970337441.db2.gz KVKZNOPXDBTTGP-UHFFFAOYSA-N 2 2 216.288 2.484 20 0 BEADLP COC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001255566500 970358935 /nfs/dbraw/zinc/35/89/35/970358935.db2.gz JFZUNEOCAIUBII-NSHDSACASA-N 2 2 245.326 2.216 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)C1)C2 ZINC001170137603 970410999 /nfs/dbraw/zinc/41/09/99/970410999.db2.gz OHEXOEXIJKDIFA-ZYHUDNBSSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@@H](C)C1)C2 ZINC001170137603 970411004 /nfs/dbraw/zinc/41/10/04/970411004.db2.gz OHEXOEXIJKDIFA-ZYHUDNBSSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1ccc(C[C@@H](C)[NH2+]CC2C[NH+](C)C2)cc1 ZINC001255779727 970482218 /nfs/dbraw/zinc/48/22/18/970482218.db2.gz HTOOQCXPIXRBPI-CYBMUJFWSA-N 2 2 232.371 2.077 20 0 BEADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](C2CC2)CC1 ZINC001256077091 970648032 /nfs/dbraw/zinc/64/80/32/970648032.db2.gz LNVSJHVGRREYHU-LEWSCRJBSA-N 2 2 238.350 2.046 20 0 BEADLP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](C2CC2)CC1 ZINC001256077091 970648036 /nfs/dbraw/zinc/64/80/36/970648036.db2.gz LNVSJHVGRREYHU-LEWSCRJBSA-N 2 2 238.350 2.046 20 0 BEADLP C1CC1[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001256079697 970650277 /nfs/dbraw/zinc/65/02/77/970650277.db2.gz NNTOKBBOWHFRTG-UHFFFAOYSA-N 2 2 234.387 2.488 20 0 BEADLP C1CC1[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001256079697 970650282 /nfs/dbraw/zinc/65/02/82/970650282.db2.gz NNTOKBBOWHFRTG-UHFFFAOYSA-N 2 2 234.387 2.488 20 0 BEADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001256082314 970650319 /nfs/dbraw/zinc/65/03/19/970650319.db2.gz WEPCUTFSFKDMBQ-RISCZKNCSA-N 2 2 220.360 2.098 20 0 BEADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001256082314 970650324 /nfs/dbraw/zinc/65/03/24/970650324.db2.gz WEPCUTFSFKDMBQ-RISCZKNCSA-N 2 2 220.360 2.098 20 0 BEADLP C[NH+]1CCC([N@@H+]2CCC23CCCCC3)CC1 ZINC001256203293 970684238 /nfs/dbraw/zinc/68/42/38/970684238.db2.gz VAMQDHXIMYDIST-UHFFFAOYSA-N 2 2 222.376 2.489 20 0 BEADLP C[NH+]1CCC([N@H+]2CCC23CCCCC3)CC1 ZINC001256203293 970684242 /nfs/dbraw/zinc/68/42/42/970684242.db2.gz VAMQDHXIMYDIST-UHFFFAOYSA-N 2 2 222.376 2.489 20 0 BEADLP C[NH+]1CCC([NH2+]C(C)(C)c2cccnc2)CC1 ZINC001256194993 970692611 /nfs/dbraw/zinc/69/26/11/970692611.db2.gz TWMMXPMTGRLIJK-UHFFFAOYSA-N 2 2 233.359 2.001 20 0 BEADLP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001256207346 970715043 /nfs/dbraw/zinc/71/50/43/970715043.db2.gz FNLVBRDAKALFDE-VXGBXAGGSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001256207346 970715047 /nfs/dbraw/zinc/71/50/47/970715047.db2.gz FNLVBRDAKALFDE-VXGBXAGGSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256209600 970718703 /nfs/dbraw/zinc/71/87/03/970718703.db2.gz ZPYICPZRYHPGJI-LBPRGKRZSA-N 2 2 210.365 2.345 20 0 BEADLP CC[C@H]1CCCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256209600 970718722 /nfs/dbraw/zinc/71/87/22/970718722.db2.gz ZPYICPZRYHPGJI-LBPRGKRZSA-N 2 2 210.365 2.345 20 0 BEADLP Cc1c(O)cccc1C[N@@H+](C)CCC[NH+](C)C ZINC001144107133 972599656 /nfs/dbraw/zinc/59/96/56/972599656.db2.gz HMINWWFUVJUAGV-UHFFFAOYSA-N 2 2 236.359 2.084 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001246545153 972626537 /nfs/dbraw/zinc/62/65/37/972626537.db2.gz UHVRFLIMZMVCKR-RAIGVLPGSA-N 2 2 248.395 2.125 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001246545153 972626546 /nfs/dbraw/zinc/62/65/46/972626546.db2.gz UHVRFLIMZMVCKR-RAIGVLPGSA-N 2 2 248.395 2.125 20 0 BEADLP C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246551551 972728553 /nfs/dbraw/zinc/72/85/53/972728553.db2.gz ZZTAKSUSXZJTHR-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246551551 972728565 /nfs/dbraw/zinc/72/85/65/972728565.db2.gz ZZTAKSUSXZJTHR-GXTWGEPZSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccnc1Cl ZINC001327839658 972753761 /nfs/dbraw/zinc/75/37/61/972753761.db2.gz JUDVLQWWBMBNAM-NXEZZACHSA-N 2 2 241.766 2.241 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001327838975 972754644 /nfs/dbraw/zinc/75/46/44/972754644.db2.gz KLHTYYKELJBVBZ-WBMJQRKESA-N 2 2 244.382 2.263 20 0 BEADLP Cc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC001330533576 974295516 /nfs/dbraw/zinc/29/55/16/974295516.db2.gz QMMSHSWBOYDZNT-KGLIPLIRSA-N 2 2 234.387 2.466 20 0 BEADLP c1cc(OC2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC001225291124 974364697 /nfs/dbraw/zinc/36/46/97/974364697.db2.gz NYMGVKPCQCRAEZ-UHFFFAOYSA-N 2 2 218.300 2.087 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172182971 974397490 /nfs/dbraw/zinc/39/74/90/974397490.db2.gz APNFWYGJFICGQB-CHWSQXEVSA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172182971 974397502 /nfs/dbraw/zinc/39/75/02/974397502.db2.gz APNFWYGJFICGQB-CHWSQXEVSA-N 2 2 248.395 2.127 20 0 BEADLP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001172417976 974692263 /nfs/dbraw/zinc/69/22/63/974692263.db2.gz YGIONEPMWRYEPT-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCOCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001172417976 974692267 /nfs/dbraw/zinc/69/22/67/974692267.db2.gz YGIONEPMWRYEPT-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(OCCCc2c[nH+]cn2C)cc[nH+]1 ZINC001331951995 974884647 /nfs/dbraw/zinc/88/46/47/974884647.db2.gz JXSRFVFYOSQUBW-UHFFFAOYSA-N 2 2 231.299 2.135 20 0 BEADLP C[C@H]1C[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CCO1 ZINC001173173277 975050745 /nfs/dbraw/zinc/05/07/45/975050745.db2.gz FGAIMTMPGVTPBC-XQQFMLRXSA-N 2 2 249.358 2.090 20 0 BEADLP CC[C@@H]1CC[C@H](n2c[nH+]c(C)c2CC[NH3+])C1 ZINC001173264505 975125510 /nfs/dbraw/zinc/12/55/10/975125510.db2.gz MLHXGFWCYBPBED-NEPJUHHUSA-N 2 2 221.348 2.444 20 0 BEADLP CCSC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001173290266 975258649 /nfs/dbraw/zinc/25/86/49/975258649.db2.gz CORAXKQAWKFVLM-VIFPVBQESA-N 2 2 227.377 2.007 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCC)OC ZINC001333370783 975720827 /nfs/dbraw/zinc/72/08/27/975720827.db2.gz MFNGRDUKORPDQX-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCC)OC ZINC001333370783 975720843 /nfs/dbraw/zinc/72/08/43/975720843.db2.gz MFNGRDUKORPDQX-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cn2c(cccc2Nc2cc[nH+]cc2)[nH+]1 ZINC001173879474 975918442 /nfs/dbraw/zinc/91/84/42/975918442.db2.gz PQNHJVRZJGSSIX-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP CCOc1cc[nH+]cc1Nc1cc[nH+]cc1 ZINC001173882144 975936543 /nfs/dbraw/zinc/93/65/43/975936543.db2.gz TWKDFIFOTJXICG-UHFFFAOYSA-N 2 2 215.256 2.041 20 0 BEADLP C[NH+](C)[C@@H]1CC[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC001333825479 976109341 /nfs/dbraw/zinc/10/93/41/976109341.db2.gz HGEOIWRIXPQBRE-BFHYXJOUSA-N 2 2 245.370 2.248 20 0 BEADLP Cc1c[nH+]c(Nc2ccc3[nH+]ccn3c2)c(N)c1 ZINC001174277026 976503899 /nfs/dbraw/zinc/50/38/99/976503899.db2.gz DQDQQWSNELHCMK-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP C[C@@H](C[NH+](C)C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229953578 977041109 /nfs/dbraw/zinc/04/11/09/977041109.db2.gz BKWWIEBASKMRFJ-LBPRGKRZSA-N 2 2 245.326 2.201 20 0 BEADLP COc1cc[nH+]cc1Nc1ccc(C[NH3+])cc1 ZINC001175966854 977836364 /nfs/dbraw/zinc/83/63/64/977836364.db2.gz RZMACUUWGDMLRQ-UHFFFAOYSA-N 2 2 229.283 2.293 20 0 BEADLP C[C@@H]1C[NH+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@H](C)O1 ZINC001232012263 977839089 /nfs/dbraw/zinc/83/90/89/977839089.db2.gz XQMRITUTYANJAR-GHMZBOCLSA-N 2 2 245.326 2.172 20 0 BEADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)no3)(C1)CCC2 ZINC001277605304 977874773 /nfs/dbraw/zinc/87/47/73/977874773.db2.gz KWFVRFZWCAHAEZ-UONOGXRCSA-N 2 2 249.358 2.137 20 0 BEADLP Cc1ccc[nH+]c1N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277708327 978262376 /nfs/dbraw/zinc/26/23/76/978262376.db2.gz SOBZVVDMCIRUJF-HNNXBMFYSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1ccc[nH+]c1N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277708327 978262385 /nfs/dbraw/zinc/26/23/85/978262385.db2.gz SOBZVVDMCIRUJF-HNNXBMFYSA-N 2 2 245.370 2.312 20 0 BEADLP Cn1c[nH+]cc1C1CC[NH+](CCC2CC2)CC1 ZINC001176977380 978267292 /nfs/dbraw/zinc/26/72/92/978267292.db2.gz KJNMPUZBFIFRDW-UHFFFAOYSA-N 2 2 233.359 2.400 20 0 BEADLP CC(C)(C)C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336680 978600130 /nfs/dbraw/zinc/60/01/30/978600130.db2.gz NASFKEJKJUSGHJ-LBPRGKRZSA-N 2 2 216.344 2.185 20 0 BEADLP CC(C)(C)C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336680 978600134 /nfs/dbraw/zinc/60/01/34/978600134.db2.gz NASFKEJKJUSGHJ-LBPRGKRZSA-N 2 2 216.344 2.185 20 0 BEADLP CCc1ccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)[nH+]c1 ZINC001338063135 978602870 /nfs/dbraw/zinc/60/28/70/978602870.db2.gz IPDVSJCBAZWKGF-KGLIPLIRSA-N 2 2 245.370 2.174 20 0 BEADLP CCc1ccc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)[nH+]c1 ZINC001338063135 978602873 /nfs/dbraw/zinc/60/28/73/978602873.db2.gz IPDVSJCBAZWKGF-KGLIPLIRSA-N 2 2 245.370 2.174 20 0 BEADLP CCC(=O)CC[NH+]1CCC([NH+](CC)CC)CC1 ZINC001338988918 978766664 /nfs/dbraw/zinc/76/66/64/978766664.db2.gz QVTUCCFGKAIPNP-UHFFFAOYSA-N 2 2 240.391 2.162 20 0 BEADLP CC/C=C\CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038893 978957031 /nfs/dbraw/zinc/95/70/31/978957031.db2.gz RIVUHOWLRXEREL-RSNNXLNZSA-N 2 2 208.349 2.169 20 0 BEADLP CC/C=C\CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038893 978957034 /nfs/dbraw/zinc/95/70/34/978957034.db2.gz RIVUHOWLRXEREL-RSNNXLNZSA-N 2 2 208.349 2.169 20 0 BEADLP C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)C1CCCCC1 ZINC001235039170 978958467 /nfs/dbraw/zinc/95/84/67/978958467.db2.gz UYHKFIZEZKNLEN-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)C1CCCCC1 ZINC001235039170 978958478 /nfs/dbraw/zinc/95/84/78/978958478.db2.gz UYHKFIZEZKNLEN-UONOGXRCSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)cc1 ZINC001235664891 979113600 /nfs/dbraw/zinc/11/36/00/979113600.db2.gz ZGXKHSXRYVWGRU-AWEZNQCLSA-N 2 2 248.370 2.151 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)cc1 ZINC001235664891 979113608 /nfs/dbraw/zinc/11/36/08/979113608.db2.gz ZGXKHSXRYVWGRU-AWEZNQCLSA-N 2 2 248.370 2.151 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC(c2cccs2)CC1 ZINC001235690561 979116532 /nfs/dbraw/zinc/11/65/32/979116532.db2.gz AGBGFCFYRFRLKL-JTQLQIEISA-N 2 2 224.373 2.275 20 0 BEADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(C)n1 ZINC001181554377 979153941 /nfs/dbraw/zinc/15/39/41/979153941.db2.gz BUGVTIPFGRYGPY-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cc(C)n1 ZINC001181554377 979153947 /nfs/dbraw/zinc/15/39/47/979153947.db2.gz BUGVTIPFGRYGPY-UHFFFAOYSA-N 2 2 235.375 2.082 20 0 BEADLP CC[N@H+](CCC[NH2+]C1CCCCC1)C1COC1 ZINC001235896879 979188289 /nfs/dbraw/zinc/18/82/89/979188289.db2.gz GUHPYYHGUYYPLW-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+](CCC[NH2+]C1CCCCC1)C1COC1 ZINC001235896879 979188297 /nfs/dbraw/zinc/18/82/97/979188297.db2.gz GUHPYYHGUYYPLW-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979855 979247074 /nfs/dbraw/zinc/24/70/74/979247074.db2.gz LLRSTVCCNSRFMJ-HIFRSBDPSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC001235979855 979247078 /nfs/dbraw/zinc/24/70/78/979247078.db2.gz LLRSTVCCNSRFMJ-HIFRSBDPSA-N 2 2 241.338 2.091 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235986128 979265236 /nfs/dbraw/zinc/26/52/36/979265236.db2.gz CLOSJZFZXWGCSV-HUUCEWRRSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235986128 979265244 /nfs/dbraw/zinc/26/52/44/979265244.db2.gz CLOSJZFZXWGCSV-HUUCEWRRSA-N 2 2 230.355 2.172 20 0 BEADLP CC(C)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236034332 979331676 /nfs/dbraw/zinc/33/16/76/979331676.db2.gz ZSSKHKVOGFDNIW-HZPDHXFCSA-N 2 2 244.382 2.418 20 0 BEADLP CC(C)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236034332 979331687 /nfs/dbraw/zinc/33/16/87/979331687.db2.gz ZSSKHKVOGFDNIW-HZPDHXFCSA-N 2 2 244.382 2.418 20 0 BEADLP Cc1ccc2c(C[N@@H+]3CC[C@H]([NH3+])C3)cccc2n1 ZINC001236174922 979434514 /nfs/dbraw/zinc/43/45/14/979434514.db2.gz UWNYZHHPAJICJC-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc2c(C[N@H+]3CC[C@H]([NH3+])C3)cccc2n1 ZINC001236174922 979434520 /nfs/dbraw/zinc/43/45/20/979434520.db2.gz UWNYZHHPAJICJC-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccccc2-3)C1 ZINC001236173997 979434975 /nfs/dbraw/zinc/43/49/75/979434975.db2.gz OQMICUGHQSPIAQ-CQSZACIVSA-N 2 2 226.323 2.324 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccccc2-3)C1 ZINC001236173997 979434979 /nfs/dbraw/zinc/43/49/79/979434979.db2.gz OQMICUGHQSPIAQ-CQSZACIVSA-N 2 2 226.323 2.324 20 0 BEADLP CC/C=C\CC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327076 979536945 /nfs/dbraw/zinc/53/69/45/979536945.db2.gz JGNMZVSSLKVWNJ-ZRUQZJFASA-N 2 2 240.391 2.043 20 0 BEADLP C[NH+](C)Cc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001236420056 979589984 /nfs/dbraw/zinc/58/99/84/979589984.db2.gz WPKLDWDPZLWRFX-UHFFFAOYSA-N 2 2 227.311 2.392 20 0 BEADLP C[NH+](C)Cc1cccc(-c2ccc[nH+]c2N)c1 ZINC001236419689 979593088 /nfs/dbraw/zinc/59/30/88/979593088.db2.gz RXOCKVYMAIXSAI-UHFFFAOYSA-N 2 2 227.311 2.392 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC001182796659 979640215 /nfs/dbraw/zinc/64/02/15/979640215.db2.gz XVBXHWFZYYDPPB-LLVKDONJSA-N 2 2 216.344 2.199 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC001182796659 979640218 /nfs/dbraw/zinc/64/02/18/979640218.db2.gz XVBXHWFZYYDPPB-LLVKDONJSA-N 2 2 216.344 2.199 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1oc(C)nc1C ZINC001236598428 979673548 /nfs/dbraw/zinc/67/35/48/979673548.db2.gz YQZXXCOONAWJNL-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1oc(C)nc1C ZINC001236598428 979673554 /nfs/dbraw/zinc/67/35/54/979673554.db2.gz YQZXXCOONAWJNL-UHFFFAOYSA-N 2 2 248.330 2.010 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)CCc1ccc(F)c(F)c1 ZINC001236860513 979762671 /nfs/dbraw/zinc/76/26/71/979762671.db2.gz PXXSGNNPGGAOMW-NSHDSACASA-N 2 2 242.313 2.176 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2ncsc21 ZINC001236884215 979775181 /nfs/dbraw/zinc/77/51/81/979775181.db2.gz MKOWRDTTZZOSHK-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ncsc21 ZINC001236884215 979775186 /nfs/dbraw/zinc/77/51/86/979775186.db2.gz MKOWRDTTZZOSHK-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccc(O)cc12 ZINC001236883431 979775208 /nfs/dbraw/zinc/77/52/08/979775208.db2.gz AHYRZNWPBZRDEA-NSHDSACASA-N 2 2 247.342 2.043 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccc(O)cc12 ZINC001236883431 979775218 /nfs/dbraw/zinc/77/52/18/979775218.db2.gz AHYRZNWPBZRDEA-NSHDSACASA-N 2 2 247.342 2.043 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc2cccnc2s1 ZINC001236883891 979775827 /nfs/dbraw/zinc/77/58/27/979775827.db2.gz HLJDFEXLYHMNJD-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc2cccnc2s1 ZINC001236883891 979775836 /nfs/dbraw/zinc/77/58/36/979775836.db2.gz HLJDFEXLYHMNJD-NSHDSACASA-N 2 2 249.383 2.465 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2cc(O)ccc2c1 ZINC001236894799 979784369 /nfs/dbraw/zinc/78/43/69/979784369.db2.gz DOFOFAJFLOSBNU-NSHDSACASA-N 2 2 244.338 2.324 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cc(O)ccc2c1 ZINC001236894799 979784379 /nfs/dbraw/zinc/78/43/79/979784379.db2.gz DOFOFAJFLOSBNU-NSHDSACASA-N 2 2 244.338 2.324 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2ccncc21 ZINC001236898985 979786300 /nfs/dbraw/zinc/78/63/00/979786300.db2.gz DXIHMUIJMQWNJN-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2ccncc21 ZINC001236898985 979786308 /nfs/dbraw/zinc/78/63/08/979786308.db2.gz DXIHMUIJMQWNJN-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CO[C@@H]1C[N@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC001237101594 979813714 /nfs/dbraw/zinc/81/37/14/979813714.db2.gz JLDPMBJGGUUWTL-FRRDWIJNSA-N 2 2 242.407 2.107 20 0 BEADLP CO[C@@H]1C[N@@H+](CC[C@@H](C)CC(C)(C)C)C[C@@H]1[NH3+] ZINC001237101594 979813719 /nfs/dbraw/zinc/81/37/19/979813719.db2.gz JLDPMBJGGUUWTL-FRRDWIJNSA-N 2 2 242.407 2.107 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237384782 979881380 /nfs/dbraw/zinc/88/13/80/979881380.db2.gz YFHQZPHYFDDBFJ-DOMZBBRYSA-N 2 2 248.370 2.416 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)o1 ZINC001237384782 979881383 /nfs/dbraw/zinc/88/13/83/979881383.db2.gz YFHQZPHYFDDBFJ-DOMZBBRYSA-N 2 2 248.370 2.416 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1F ZINC001238104360 980150344 /nfs/dbraw/zinc/15/03/44/980150344.db2.gz UQSATWWFIAWTOX-MFKMUULPSA-N 2 2 233.290 2.124 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1F ZINC001238104360 980150349 /nfs/dbraw/zinc/15/03/49/980150349.db2.gz UQSATWWFIAWTOX-MFKMUULPSA-N 2 2 233.290 2.124 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)C(C)(C)C ZINC001344337149 980371725 /nfs/dbraw/zinc/37/17/25/980371725.db2.gz YUCNDMLRIRDDME-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)C(C)(C)C ZINC001344337149 980371734 /nfs/dbraw/zinc/37/17/34/980371734.db2.gz YUCNDMLRIRDDME-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP [NH3+]Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240217598 981166255 /nfs/dbraw/zinc/16/62/55/981166255.db2.gz JLMMXPXFOIBXNF-UHFFFAOYSA-N 2 2 223.279 2.460 20 0 BEADLP C/C(=C\C=C\[NH3+])c1ccc2c(c1)CC[NH2+]C2 ZINC001240455908 981393353 /nfs/dbraw/zinc/39/33/53/981393353.db2.gz OWXMZHRLYQALJT-ZPBVKXTCSA-N 2 2 214.312 2.208 20 0 BEADLP c1cc(N2CCCC2)cc(C2=CC[NH2+]CC2)[nH+]1 ZINC001240465083 981395124 /nfs/dbraw/zinc/39/51/24/981395124.db2.gz MGPBQBXGZYCGRB-UHFFFAOYSA-N 2 2 229.327 2.059 20 0 BEADLP CC(C)c1nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cs1 ZINC001349319274 981532911 /nfs/dbraw/zinc/53/29/11/981532911.db2.gz NAFPXRXHROBBHK-UWVGGRQHSA-N 2 2 241.404 2.482 20 0 BEADLP c1cn(Cc2ccc(C3=CCC[NH2+]C3)cc2)c[nH+]1 ZINC001240664440 981572333 /nfs/dbraw/zinc/57/23/33/981572333.db2.gz IXDSGZLBNFHHFB-UHFFFAOYSA-N 2 2 239.322 2.308 20 0 BEADLP Cc1cn2c(cccc2C=C2CC[NH2+]CC2)[nH+]1 ZINC001240875456 981922474 /nfs/dbraw/zinc/92/24/74/981922474.db2.gz JIBBIAYFRYZTQA-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC001350955949 982132859 /nfs/dbraw/zinc/13/28/59/982132859.db2.gz KLMQSRRFPRSTBB-OAHLLOKOSA-N 3 2 249.402 2.056 20 0 BEADLP Nc1cc(-c2cccc3c2CC[C@@H]3[NH3+])cc[nH+]1 ZINC001241169882 982311247 /nfs/dbraw/zinc/31/12/47/982311247.db2.gz QESAJYGGOADWDP-ZDUSSCGKSA-N 2 2 225.295 2.277 20 0 BEADLP C[C@H]([NH3+])c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241170049 982314684 /nfs/dbraw/zinc/31/46/84/982314684.db2.gz UZWHCJGTZGLYDL-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP C[C@@H]([NH3+])c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241170488 982318186 /nfs/dbraw/zinc/31/81/86/982318186.db2.gz KOTVIBVUFZGXOV-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP C[N@H+]1CC=C(c2ccc3[nH+]ccn3c2)CC1 ZINC001241320192 982480073 /nfs/dbraw/zinc/48/00/73/982480073.db2.gz VYUWZXGIWIZAGX-UHFFFAOYSA-N 2 2 213.284 2.053 20 0 BEADLP C[N@@H+]1CC=C(c2ccc3[nH+]ccn3c2)CC1 ZINC001241320192 982480074 /nfs/dbraw/zinc/48/00/74/982480074.db2.gz VYUWZXGIWIZAGX-UHFFFAOYSA-N 2 2 213.284 2.053 20 0 BEADLP Cc1cc(C2=CC[N@H+](C)CC2)cn2cc[nH+]c12 ZINC001241322957 982485254 /nfs/dbraw/zinc/48/52/54/982485254.db2.gz UVQGYIWENZTWER-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cc(C2=CC[N@@H+](C)CC2)cn2cc[nH+]c12 ZINC001241322957 982485257 /nfs/dbraw/zinc/48/52/57/982485257.db2.gz UVQGYIWENZTWER-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP CC(C)Oc1ccc[nH+]c1NCC[C@@H](C)[NH3+] ZINC000160280604 982550312 /nfs/dbraw/zinc/55/03/12/982550312.db2.gz IZFZBAFWZNAYPE-SNVBAGLBSA-N 2 2 223.320 2.018 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C[C@@H]1[NH3+] ZINC001205863464 982916090 /nfs/dbraw/zinc/91/60/90/982916090.db2.gz VOBRQKLYEQEBKK-RISCZKNCSA-N 2 2 243.354 2.337 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@@H]1[NH3+] ZINC001205863464 982916106 /nfs/dbraw/zinc/91/61/06/982916106.db2.gz VOBRQKLYEQEBKK-RISCZKNCSA-N 2 2 243.354 2.337 20 0 BEADLP Cc1ccc(-c2ccc(C[NH3+])cc2)[nH+]c1N ZINC001241911804 983127646 /nfs/dbraw/zinc/12/76/46/983127646.db2.gz CNJWUZMZISIGPQ-UHFFFAOYSA-N 2 2 213.284 2.098 20 0 BEADLP Cc1[nH+]c2ccccn2c1Nc1ccc(N)[nH+]c1 ZINC001201275735 983175995 /nfs/dbraw/zinc/17/59/95/983175995.db2.gz KPCOLZBWPJYKFF-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP c1[nH+]c2c(cc1C1=C[C@H]3CC[C@@H](C1)[NH2+]3)CCCN2 ZINC001242027860 983239710 /nfs/dbraw/zinc/23/97/10/983239710.db2.gz OKXNEFCTVDOFBZ-KGLIPLIRSA-N 2 2 241.338 2.043 20 0 BEADLP CCC(CC)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201535155 983291640 /nfs/dbraw/zinc/29/16/40/983291640.db2.gz YPYRJDKJFKRBDA-ZIAGYGMSSA-N 2 2 224.392 2.449 20 0 BEADLP CC[C@H](C)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201516954 983314876 /nfs/dbraw/zinc/31/48/76/983314876.db2.gz HREJGPUGYWVADR-XQQFMLRXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201516954 983314879 /nfs/dbraw/zinc/31/48/79/983314879.db2.gz HREJGPUGYWVADR-XQQFMLRXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201516954 983314885 /nfs/dbraw/zinc/31/48/85/983314885.db2.gz HREJGPUGYWVADR-XQQFMLRXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[C@H](C)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201516954 983314888 /nfs/dbraw/zinc/31/48/88/983314888.db2.gz HREJGPUGYWVADR-XQQFMLRXSA-N 2 2 210.365 2.059 20 0 BEADLP CC[N@H+](CCC(C)C)CCn1cc[nH+]c1 ZINC001201627385 983380581 /nfs/dbraw/zinc/38/05/81/983380581.db2.gz YQAIGEHGZADVEF-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP CC[N@@H+](CCC(C)C)CCn1cc[nH+]c1 ZINC001201627385 983380589 /nfs/dbraw/zinc/38/05/89/983380589.db2.gz YQAIGEHGZADVEF-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Cl)s2)CC[NH2+]1 ZINC000718147887 984395253 /nfs/dbraw/zinc/39/52/53/984395253.db2.gz ILMDKCXULPEBSY-SFYZADRCSA-N 2 2 245.779 2.027 20 0 BEADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c(C)c1 ZINC001275282274 984528127 /nfs/dbraw/zinc/52/81/27/984528127.db2.gz CKJVVQNWDROAJM-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](C)C3)c(C)c1 ZINC001275282274 984528136 /nfs/dbraw/zinc/52/81/36/984528136.db2.gz CKJVVQNWDROAJM-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP Cc1ccc(C)c(C[NH+]2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001275287183 984531133 /nfs/dbraw/zinc/53/11/33/984531133.db2.gz KHTWBJVEGYEKKI-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP Cc1ccc(C)c(C[NH+]2CC3(C2)CC[N@H+](C)C3)c1 ZINC001275287183 984531144 /nfs/dbraw/zinc/53/11/44/984531144.db2.gz KHTWBJVEGYEKKI-UHFFFAOYSA-N 2 2 244.382 2.441 20 0 BEADLP CCCC[C@@H](CC)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001257417319 984977497 /nfs/dbraw/zinc/97/74/97/984977497.db2.gz BOJHZUBARDWTST-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP CCCC[C@@H](CC)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC001257417319 984977520 /nfs/dbraw/zinc/97/75/20/984977520.db2.gz BOJHZUBARDWTST-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@@H]([NH3+])c1ccccc1-c1ccc[nH+]c1N ZINC001243477868 985037145 /nfs/dbraw/zinc/03/71/45/985037145.db2.gz QEOFNSVKEOEQJC-SECBINFHSA-N 2 2 213.284 2.351 20 0 BEADLP CSCC[C@@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001258216287 985652936 /nfs/dbraw/zinc/65/29/36/985652936.db2.gz WFFVRNBBZVEXEG-SNVBAGLBSA-N 2 2 239.388 2.149 20 0 BEADLP CSCC[C@@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001258216287 985652947 /nfs/dbraw/zinc/65/29/47/985652947.db2.gz WFFVRNBBZVEXEG-SNVBAGLBSA-N 2 2 239.388 2.149 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000688730520 985715515 /nfs/dbraw/zinc/71/55/15/985715515.db2.gz FMTNISOVQMEXEZ-UWVGGRQHSA-N 2 2 234.334 2.337 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000688730520 985715543 /nfs/dbraw/zinc/71/55/43/985715543.db2.gz FMTNISOVQMEXEZ-UWVGGRQHSA-N 2 2 234.334 2.337 20 0 BEADLP Cc1[nH+]c2c(n1[C@@H](C)CC1CC1)CC[NH2+]CC2 ZINC001258460527 985903159 /nfs/dbraw/zinc/90/31/59/985903159.db2.gz DWSSHTBJLNOMCR-JTQLQIEISA-N 2 2 233.359 2.241 20 0 BEADLP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]2)ccc1Cl ZINC001579601298 986125332 /nfs/dbraw/zinc/12/53/32/986125332.db2.gz MOYBWBUSJBXTKO-LLVKDONJSA-N 2 2 224.735 2.100 20 0 BEADLP C[NH2+]Cc1cccc(/C(C)=C/C=C/[NH3+])c1F ZINC001244860205 986404571 /nfs/dbraw/zinc/40/45/71/986404571.db2.gz KOWKEHYYUGFIAX-DXNUHORPSA-N 2 2 220.291 2.421 20 0 BEADLP CCCC[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001255315010 986909020 /nfs/dbraw/zinc/90/90/20/986909020.db2.gz ZPXSGSZWLOTLEF-CQSZACIVSA-N 3 2 243.439 2.168 20 0 BEADLP CCCC[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001255315010 986909040 /nfs/dbraw/zinc/90/90/40/986909040.db2.gz ZPXSGSZWLOTLEF-CQSZACIVSA-N 3 2 243.439 2.168 20 0 BEADLP Cc1cc2[nH]ccc2c(-c2ccncc2C[NH3+])[nH+]1 ZINC001245555831 986940449 /nfs/dbraw/zinc/94/04/49/986940449.db2.gz LRTXJTSRTDDQPC-UHFFFAOYSA-N 2 2 238.294 2.392 20 0 BEADLP Cc1[nH+]cn([C@@H](C)CC(F)(F)F)c1CC[NH3+] ZINC001255634662 987035233 /nfs/dbraw/zinc/03/52/33/987035233.db2.gz CDVGFGHZBUFKRS-ZETCQYMHSA-N 2 2 235.253 2.206 20 0 BEADLP c1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc2c1CCC2 ZINC001246079950 987373900 /nfs/dbraw/zinc/37/39/00/987373900.db2.gz LOZIDCNYEQSOBT-INIZCTEOSA-N 2 2 244.382 2.407 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C[NH2+]1 ZINC001246080780 987374941 /nfs/dbraw/zinc/37/49/41/987374941.db2.gz OVUSHYBYQISNAF-BLLLJJGKSA-N 2 2 244.382 2.405 20 0 BEADLP CCCC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246085717 987386808 /nfs/dbraw/zinc/38/68/08/987386808.db2.gz AOINVDDQAXGZKU-ZIAGYGMSSA-N 2 2 242.407 2.169 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088850 987388248 /nfs/dbraw/zinc/38/82/48/987388248.db2.gz YBJWXNWGECTFQF-AVGNSLFASA-N 2 2 230.371 2.491 20 0 BEADLP CC(C)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246088206 987388514 /nfs/dbraw/zinc/38/85/14/987388514.db2.gz SISUQWQBHUJYPA-HOAMVYINSA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246088205 987389370 /nfs/dbraw/zinc/38/93/70/987389370.db2.gz SISUQWQBHUJYPA-CLRIEMFWSA-N 2 2 242.382 2.491 20 0 BEADLP CCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246088835 987390478 /nfs/dbraw/zinc/39/04/78/987390478.db2.gz XXEKPPLVSDIEGI-IFWUJCSASA-N 2 2 228.355 2.245 20 0 BEADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090710 987397069 /nfs/dbraw/zinc/39/70/69/987397069.db2.gz GQYQAHCRRYXEKO-VOAKCMCISA-N 2 2 230.371 2.491 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246093364 987401887 /nfs/dbraw/zinc/40/18/87/987401887.db2.gz VVYACZZIDAXJTI-DTWKUNHWSA-N 2 2 224.270 2.059 20 0 BEADLP CCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246094653 987406168 /nfs/dbraw/zinc/40/61/68/987406168.db2.gz XBEOQPPDSYJXDO-KBPBESRZSA-N 2 2 242.407 2.313 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]C[C@@H]1O ZINC001246100597 987419882 /nfs/dbraw/zinc/41/98/82/987419882.db2.gz NHHPMOLMNPNQGL-MJBXVCDLSA-N 2 2 242.407 2.048 20 0 BEADLP CC[C@H]1CC[N@H+](CCn2cc[nH+]c2C)[C@@H]1C ZINC001473403595 987427873 /nfs/dbraw/zinc/42/78/73/987427873.db2.gz VQMMSPNWYJKFDA-YPMHNXCESA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)[C@@H]1C ZINC001473403595 987427875 /nfs/dbraw/zinc/42/78/75/987427875.db2.gz VQMMSPNWYJKFDA-YPMHNXCESA-N 2 2 221.348 2.312 20 0 BEADLP CCC1CCC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001246105274 987431895 /nfs/dbraw/zinc/43/18/95/987431895.db2.gz CTDIGCMZABBZAP-KPFVRQRISA-N 2 2 228.355 2.245 20 0 BEADLP CC1(C)CCC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001246106889 987437879 /nfs/dbraw/zinc/43/78/79/987437879.db2.gz GFNGTYFKOYBBKE-PWSUYJOCSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C[C@H]1C ZINC001246112809 987450046 /nfs/dbraw/zinc/45/00/46/987450046.db2.gz SAFDMFZNCFMURU-VEGXAWMVSA-N 2 2 228.355 2.101 20 0 BEADLP Cc1ccc(CC[C@H](C)[NH2+][C@]23C[C@H]2C[NH2+]C3)cc1 ZINC001246137303 987492944 /nfs/dbraw/zinc/49/29/44/987492944.db2.gz XZCWHXLGZANNEX-BPUTZDHNSA-N 2 2 244.382 2.268 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001246176397 987544614 /nfs/dbraw/zinc/54/46/14/987544614.db2.gz PPRXCIIUNWHWHN-SCRDCRAPSA-N 2 2 218.344 2.478 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+][C@H](C)C2)c(C)c1 ZINC001246184996 987558088 /nfs/dbraw/zinc/55/80/88/987558088.db2.gz PVEKLKNTWKTWLO-KGLIPLIRSA-N 2 2 232.371 2.452 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+][C@H](C)C2)c(C)c1 ZINC001246184998 987560455 /nfs/dbraw/zinc/56/04/55/987560455.db2.gz PVEKLKNTWKTWLO-ZIAGYGMSSA-N 2 2 232.371 2.452 20 0 BEADLP Cc1csc([C@@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246187030 987568156 /nfs/dbraw/zinc/56/81/56/987568156.db2.gz FBRVLRDNKNPCJE-IEBDPFPHSA-N 2 2 239.388 2.243 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246201711 987599050 /nfs/dbraw/zinc/59/90/50/987599050.db2.gz FZMMVELBOKFMSN-GMXVVIOVSA-N 2 2 234.343 2.183 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(O)cc1 ZINC001246201742 987599754 /nfs/dbraw/zinc/59/97/54/987599754.db2.gz FZMMVELBOKFMSN-MDZLAQPJSA-N 2 2 234.343 2.183 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246228975 987625232 /nfs/dbraw/zinc/62/52/32/987625232.db2.gz IZVNAZQQSJNWTQ-RISCZKNCSA-N 2 2 243.354 2.398 20 0 BEADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001246240574 987638265 /nfs/dbraw/zinc/63/82/65/987638265.db2.gz QSEGUJJSAUOOAZ-XUXIUFHCSA-N 2 2 242.407 2.024 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246240957 987640833 /nfs/dbraw/zinc/64/08/33/987640833.db2.gz SYIWPZWGXADWII-JQWIXIFHSA-N 2 2 229.327 2.008 20 0 BEADLP COc1ccc(C(C)(C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246241474 987641241 /nfs/dbraw/zinc/64/12/41/987641241.db2.gz XPLACPWZNRBONG-ZDUSSCGKSA-N 2 2 248.370 2.272 20 0 BEADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+]C(CC(C)C)CC(C)C ZINC001246241260 987643355 /nfs/dbraw/zinc/64/33/55/987643355.db2.gz VVOSPGTYFDTTLI-KBPBESRZSA-N 2 2 242.407 2.024 20 0 BEADLP Fc1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246281788 987675448 /nfs/dbraw/zinc/67/54/48/987675448.db2.gz PPAQCZYUPZGEOI-MELADBBJSA-N 2 2 234.318 2.023 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(N)cc1 ZINC001246298120 987693583 /nfs/dbraw/zinc/69/35/83/987693583.db2.gz TUHWTVFAMJHBHK-MISXGVKJSA-N 2 2 233.359 2.060 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc3ncoc32)C[NH2+]1 ZINC001246332908 987741643 /nfs/dbraw/zinc/74/16/43/987741643.db2.gz OLVIPGVCRRRFHA-JQWIXIFHSA-N 2 2 245.326 2.058 20 0 BEADLP CC1(C)CCC[C@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C1 ZINC001246334489 987742429 /nfs/dbraw/zinc/74/24/29/987742429.db2.gz DBYVWLVLKBGRSQ-NWDGAFQWSA-N 2 2 242.432 2.250 20 0 BEADLP CC1(C)CCC[C@@H]([NH2+]C[C@H]2CSCC[NH2+]2)C1 ZINC001246334486 987742941 /nfs/dbraw/zinc/74/29/41/987742941.db2.gz DBYVWLVLKBGRSQ-NEPJUHHUSA-N 2 2 242.432 2.250 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001474510444 987745643 /nfs/dbraw/zinc/74/56/43/987745643.db2.gz IKPWSGFTZCOEDU-ZDEQEGDKSA-N 2 2 210.365 2.105 20 0 BEADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246345600 987755066 /nfs/dbraw/zinc/75/50/66/987755066.db2.gz AYOJFBUYTDNENF-DOMZBBRYSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1cnccc1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246411159 987789861 /nfs/dbraw/zinc/78/98/61/987789861.db2.gz RILRYCHBKFRVAK-UKRRQHHQSA-N 2 2 245.370 2.183 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cnccc32)C[NH2+]1 ZINC001246461101 987820456 /nfs/dbraw/zinc/82/04/56/987820456.db2.gz CMUXXVNGKSIJRN-KYOSRNDESA-N 2 2 245.370 2.189 20 0 BEADLP Cn1ccc2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc21 ZINC001246471939 987828202 /nfs/dbraw/zinc/82/82/02/987828202.db2.gz WBAYPXLNQOAVJQ-CQSZACIVSA-N 2 2 243.354 2.020 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3sccc32)C[NH2+]1 ZINC001246478158 987834114 /nfs/dbraw/zinc/83/41/14/987834114.db2.gz LRROKOXPBVEPJQ-CKYFFXLPSA-N 2 2 236.384 2.466 20 0 BEADLP c1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246478921 987838358 /nfs/dbraw/zinc/83/83/58/987838358.db2.gz PUSKWENPNPOMPH-KOLCDFICSA-N 2 2 222.357 2.077 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246506346 987860042 /nfs/dbraw/zinc/86/00/42/987860042.db2.gz GYHAIDGSBCLDDH-DGCLKSJQSA-N 2 2 238.400 2.418 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccncc1 ZINC001246514237 987866495 /nfs/dbraw/zinc/86/64/95/987866495.db2.gz IKUSCTYAHXNJFL-UONOGXRCSA-N 2 2 233.359 2.120 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246552278 987954103 /nfs/dbraw/zinc/95/41/03/987954103.db2.gz XQVVSJUOJNKHAG-IFUGULHKSA-N 2 2 248.345 2.105 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001246552278 987954108 /nfs/dbraw/zinc/95/41/08/987954108.db2.gz XQVVSJUOJNKHAG-IFUGULHKSA-N 2 2 248.345 2.105 20 0 BEADLP CCCCC[C@@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246557578 987974662 /nfs/dbraw/zinc/97/46/62/987974662.db2.gz MXDOAVQGXTXKOB-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246557578 987974672 /nfs/dbraw/zinc/97/46/72/987974672.db2.gz MXDOAVQGXTXKOB-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569677 988048908 /nfs/dbraw/zinc/04/89/08/988048908.db2.gz RSFOLKJBXAYPHK-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246569677 988048925 /nfs/dbraw/zinc/04/89/25/988048925.db2.gz RSFOLKJBXAYPHK-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP CSCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572498 988064168 /nfs/dbraw/zinc/06/41/68/988064168.db2.gz AEWBONFVZIFPLG-NWDGAFQWSA-N 2 2 248.411 2.281 20 0 BEADLP CSCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246572498 988064182 /nfs/dbraw/zinc/06/41/82/988064182.db2.gz AEWBONFVZIFPLG-NWDGAFQWSA-N 2 2 248.411 2.281 20 0 BEADLP CCSC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576376 988083552 /nfs/dbraw/zinc/08/35/52/988083552.db2.gz JXODDQZQNPSWQW-VXGBXAGGSA-N 2 2 248.411 2.281 20 0 BEADLP CCSC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246576376 988083568 /nfs/dbraw/zinc/08/35/68/988083568.db2.gz JXODDQZQNPSWQW-VXGBXAGGSA-N 2 2 248.411 2.281 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@H](F)C2)C[C@@H](C)C1 ZINC001246589198 988152715 /nfs/dbraw/zinc/15/27/15/988152715.db2.gz ZKIJVBKQTWDKLX-FPYNETTCSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C[C@H](F)C2)C[C@@H](C)C1 ZINC001246589198 988152732 /nfs/dbraw/zinc/15/27/32/988152732.db2.gz ZKIJVBKQTWDKLX-FPYNETTCSA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H](F)C2)C[C@@H](C)C1 ZINC001246589298 988155481 /nfs/dbraw/zinc/15/54/81/988155481.db2.gz ZKIJVBKQTWDKLX-OBPIAQAESA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@H](F)C2)C[C@@H](C)C1 ZINC001246589298 988155496 /nfs/dbraw/zinc/15/54/96/988155496.db2.gz ZKIJVBKQTWDKLX-OBPIAQAESA-N 2 2 228.355 2.182 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595834 988186180 /nfs/dbraw/zinc/18/61/80/988186180.db2.gz JANHVGONGNPGEA-QWRGUYRKSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1CC[C@H]([N@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595834 988186192 /nfs/dbraw/zinc/18/61/92/988186192.db2.gz JANHVGONGNPGEA-QWRGUYRKSA-N 2 2 246.345 2.494 20 0 BEADLP CCCCCC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612352 988243581 /nfs/dbraw/zinc/24/35/81/988243581.db2.gz GOSSYJOVUQTGAI-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612819 988245991 /nfs/dbraw/zinc/24/59/91/988245991.db2.gz IEYOFSGHEUNDFP-CHWSQXEVSA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)C1CCC([NH+]2CC3(C[NH2+]C3)C2)CC1 ZINC001246614532 988258449 /nfs/dbraw/zinc/25/84/49/988258449.db2.gz NSJAHFMKWHHCJW-UHFFFAOYSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001246650859 988380394 /nfs/dbraw/zinc/38/03/94/988380394.db2.gz JCQSQZVLEKUILD-VNQPRFMTSA-N 2 2 244.382 2.220 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001246650859 988380401 /nfs/dbraw/zinc/38/04/01/988380401.db2.gz JCQSQZVLEKUILD-VNQPRFMTSA-N 2 2 244.382 2.220 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660365 988393518 /nfs/dbraw/zinc/39/35/18/988393518.db2.gz SQFTYAYQRIBQLG-CORIIIEPSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660365 988393528 /nfs/dbraw/zinc/39/35/28/988393528.db2.gz SQFTYAYQRIBQLG-CORIIIEPSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793297 988474082 /nfs/dbraw/zinc/47/40/82/988474082.db2.gz USBRBRBVSGNOLE-YUELXQCFSA-N 2 2 245.370 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3cccnc3)C2)C[NH2+]1 ZINC001246793297 988474092 /nfs/dbraw/zinc/47/40/92/988474092.db2.gz USBRBRBVSGNOLE-YUELXQCFSA-N 2 2 245.370 2.011 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]CCc1ccc(F)cc1 ZINC001323567024 988558099 /nfs/dbraw/zinc/55/80/99/988558099.db2.gz KTVJVMPIETYEKP-UHFFFAOYSA-N 2 2 238.350 2.298 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]CCc1ccc(F)cc1 ZINC001323567024 988558105 /nfs/dbraw/zinc/55/81/05/988558105.db2.gz KTVJVMPIETYEKP-UHFFFAOYSA-N 2 2 238.350 2.298 20 0 BEADLP F[C@@H]1CCC2(C1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246853608 988569009 /nfs/dbraw/zinc/56/90/09/988569009.db2.gz NCTPRHTVDXHNBP-OLZOCXBDSA-N 2 2 240.366 2.343 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001246917719 988712515 /nfs/dbraw/zinc/71/25/15/988712515.db2.gz SLWBUNUJRMGGJC-CHWSQXEVSA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001246917719 988712530 /nfs/dbraw/zinc/71/25/30/988712530.db2.gz SLWBUNUJRMGGJC-CHWSQXEVSA-N 2 2 248.395 2.127 20 0 BEADLP COCC[N@@H+]([C@H](C)CCC(C)C)[C@H]1CC[NH2+]C1 ZINC001246927591 988747120 /nfs/dbraw/zinc/74/71/20/988747120.db2.gz HGUZXYTZAHPOER-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]([C@H](C)CCC(C)C)[C@H]1CC[NH2+]C1 ZINC001246927591 988747098 /nfs/dbraw/zinc/74/70/98/988747098.db2.gz HGUZXYTZAHPOER-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CO[C@@H]1C[N@@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983890 988815243 /nfs/dbraw/zinc/81/52/43/988815243.db2.gz VTJDXDOLENTBCH-YIYPIFLZSA-N 2 2 242.407 2.105 20 0 BEADLP CO[C@@H]1C[N@H+]([C@H](C)C[C@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983890 988815247 /nfs/dbraw/zinc/81/52/47/988815247.db2.gz VTJDXDOLENTBCH-YIYPIFLZSA-N 2 2 242.407 2.105 20 0 BEADLP C[C@@H]([NH2+]C/C=C/C1CC1)[C@H]1CCCC[NH2+]1 ZINC001325718142 989237965 /nfs/dbraw/zinc/23/79/65/989237965.db2.gz QJUVXGRHEOCSHH-WPCUQIPDSA-N 2 2 208.349 2.073 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(F)cc1F ZINC001326074645 989366592 /nfs/dbraw/zinc/36/65/92/989366592.db2.gz GXDYVSFNOYBANN-SECBINFHSA-N 2 2 228.286 2.052 20 0 BEADLP Cc1cccnc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC001119901410 989463362 /nfs/dbraw/zinc/46/33/62/989463362.db2.gz VBAYZYXOFJPLLN-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP c1cn([C@H]2CCCN(c3cc[nH+]cc3)C2)c[nH+]1 ZINC001120780289 989878236 /nfs/dbraw/zinc/87/82/36/989878236.db2.gz VQHSEMHKPKLAJM-ZDUSSCGKSA-N 2 2 228.299 2.120 20 0 BEADLP C[C@H]1CCN(c2cc[nH+]cc2)C[C@H]1n1cc[nH+]c1 ZINC001120860853 989930197 /nfs/dbraw/zinc/93/01/97/989930197.db2.gz UHKWYPFQFBKNMP-GXTWGEPZSA-N 2 2 242.326 2.366 20 0 BEADLP C[C@H](Cc1ccco1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258184831 991091285 /nfs/dbraw/zinc/09/12/85/991091285.db2.gz JNMCNRCEQGTEIV-GFCCVEGCSA-N 2 2 236.359 2.237 20 0 BEADLP C[C@H](Cc1ccco1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258184831 991091294 /nfs/dbraw/zinc/09/12/94/991091294.db2.gz JNMCNRCEQGTEIV-GFCCVEGCSA-N 2 2 236.359 2.237 20 0 BEADLP COC1(C[NH2+][C@@H](C)C[NH+](C)C)CCCCCC1 ZINC001308751840 991121461 /nfs/dbraw/zinc/12/14/61/991121461.db2.gz NHQQXJDMNBFJBA-ZDUSSCGKSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC001308868415 991188197 /nfs/dbraw/zinc/18/81/97/991188197.db2.gz ODRVOEFQBQZDKX-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@]2(C)CC2(F)F)C1 ZINC001308868415 991188211 /nfs/dbraw/zinc/18/82/11/991188211.db2.gz ODRVOEFQBQZDKX-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC001308868414 991190820 /nfs/dbraw/zinc/19/08/20/991190820.db2.gz ODRVOEFQBQZDKX-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@]2(C)CC2(F)F)C1 ZINC001308868414 991190829 /nfs/dbraw/zinc/19/08/29/991190829.db2.gz ODRVOEFQBQZDKX-RYUDHWBXSA-N 2 2 246.345 2.496 20 0 BEADLP CSC(C)(C)C[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001258321550 991246922 /nfs/dbraw/zinc/24/69/22/991246922.db2.gz NYXAVZNBCSFYDR-JTQLQIEISA-N 2 2 241.404 2.477 20 0 BEADLP CSC(C)(C)C[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001258321551 991249390 /nfs/dbraw/zinc/24/93/90/991249390.db2.gz NYXAVZNBCSFYDR-SNVBAGLBSA-N 2 2 241.404 2.477 20 0 BEADLP CC1(C)CC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258594710 991481872 /nfs/dbraw/zinc/48/18/72/991481872.db2.gz MNNJYWVRIBPBPE-SNVBAGLBSA-N 2 2 207.321 2.136 20 0 BEADLP Cc1[nH+]cn([C@@H]2CCC(C)(C)C2)c1CC[NH3+] ZINC001258593701 991490081 /nfs/dbraw/zinc/49/00/81/991490081.db2.gz ZOMGSHXGIPBNSS-LLVKDONJSA-N 2 2 221.348 2.444 20 0 BEADLP Cc1[nH+]cn([C@H]2CCC(C)(C)C2)c1CC[NH3+] ZINC001258593702 991490984 /nfs/dbraw/zinc/49/09/84/991490984.db2.gz ZOMGSHXGIPBNSS-NSHDSACASA-N 2 2 221.348 2.444 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccnc1 ZINC001258608491 991526087 /nfs/dbraw/zinc/52/60/87/991526087.db2.gz ADQWUCMNCKCTFW-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccnc1 ZINC001258608491 991526098 /nfs/dbraw/zinc/52/60/98/991526098.db2.gz ADQWUCMNCKCTFW-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001258610269 991531900 /nfs/dbraw/zinc/53/19/00/991531900.db2.gz IXZADXWNQRVLFB-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001258610269 991531909 /nfs/dbraw/zinc/53/19/09/991531909.db2.gz IXZADXWNQRVLFB-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001258613233 991537755 /nfs/dbraw/zinc/53/77/55/991537755.db2.gz MFPGBIFGNSOLHA-HIFRSBDPSA-N 2 2 247.386 2.085 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC001258613233 991537770 /nfs/dbraw/zinc/53/77/70/991537770.db2.gz MFPGBIFGNSOLHA-HIFRSBDPSA-N 2 2 247.386 2.085 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)C1 ZINC001560943798 991663150 /nfs/dbraw/zinc/66/31/50/991663150.db2.gz ANPVHHCSPLRGQC-WDEREUQCSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2C(C)(C)C2(F)F)C1 ZINC001560943798 991663155 /nfs/dbraw/zinc/66/31/55/991663155.db2.gz ANPVHHCSPLRGQC-WDEREUQCSA-N 2 2 246.345 2.352 20 0 BEADLP CCCC[C@@H](CCC)[NH2+]CC1C[NH+](C)C1 ZINC001258757209 991689078 /nfs/dbraw/zinc/68/90/78/991689078.db2.gz KKGXYXUEJXNNAL-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1nc(N[C@H]2CCCC[C@H]2[NH+](C)C)cc[nH+]1 ZINC001318780426 991713995 /nfs/dbraw/zinc/71/39/95/991713995.db2.gz UAOFPSXRSOWJOI-NWDGAFQWSA-N 2 2 234.347 2.070 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001258771874 991736914 /nfs/dbraw/zinc/73/69/14/991736914.db2.gz YWZYGLWRNJFVRJ-YPMHNXCESA-N 2 2 228.355 2.151 20 0 BEADLP CCC[NH+]1CCC([N@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001258771874 991736922 /nfs/dbraw/zinc/73/69/22/991736922.db2.gz YWZYGLWRNJFVRJ-YPMHNXCESA-N 2 2 228.355 2.151 20 0 BEADLP Cc1[nH+]cn([C@@H]2CCC[C@@H](C)C2)c1CC[NH3+] ZINC001258806479 991806940 /nfs/dbraw/zinc/80/69/40/991806940.db2.gz AYLZEQQJSRIIIG-ZYHUDNBSSA-N 2 2 221.348 2.444 20 0 BEADLP C[C@@]1([NH2+]Cc2ccc3cc[nH]c3c2)CC[NH2+]C1 ZINC001573627030 992657991 /nfs/dbraw/zinc/65/79/91/992657991.db2.gz UZMGDJKJJUQDKW-CQSZACIVSA-N 2 2 229.327 2.010 20 0 BEADLP C/C(=C/c1ccccc1)C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001574981091 992960362 /nfs/dbraw/zinc/96/03/62/992960362.db2.gz ZRYSPIVZTCPGEP-QPEQYQDCSA-N 2 2 242.366 2.432 20 0 BEADLP CCc1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]c1 ZINC001262683777 993023908 /nfs/dbraw/zinc/02/39/08/993023908.db2.gz VYYWCRLASHVAGC-AWEZNQCLSA-N 2 2 247.386 2.422 20 0 BEADLP CCc1ccc(N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]c1 ZINC001262683777 993023916 /nfs/dbraw/zinc/02/39/16/993023916.db2.gz VYYWCRLASHVAGC-AWEZNQCLSA-N 2 2 247.386 2.422 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C/C=C\c1cccc(F)c1 ZINC001576005239 993153321 /nfs/dbraw/zinc/15/33/21/993153321.db2.gz KQFNMIJFIXIVRY-QZPNVGJNSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC001576005239 993153326 /nfs/dbraw/zinc/15/33/26/993153326.db2.gz KQFNMIJFIXIVRY-QZPNVGJNSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCc1ccc(F)cc1Cl ZINC001576005355 993154959 /nfs/dbraw/zinc/15/49/59/993154959.db2.gz LWGMVCHMLWRTJU-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCc1ccc(F)cc1Cl ZINC001576005355 993154963 /nfs/dbraw/zinc/15/49/63/993154963.db2.gz LWGMVCHMLWRTJU-SECBINFHSA-N 2 2 244.741 2.301 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001576489328 993319612 /nfs/dbraw/zinc/31/96/12/993319612.db2.gz MSFYFAJUWWIYJB-AWEZNQCLSA-N 2 2 243.354 2.398 20 0 BEADLP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccns1 ZINC001576690350 993395190 /nfs/dbraw/zinc/39/51/90/993395190.db2.gz JSUYAIBZNQVRBC-PWSUYJOCSA-N 2 2 239.388 2.140 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc2c1OCC2 ZINC001577109542 993508617 /nfs/dbraw/zinc/50/86/17/993508617.db2.gz FGEVYMQWMYCCRF-UHFFFAOYSA-N 2 2 248.370 2.229 20 0 BEADLP CCC[C@@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC001577357662 993614996 /nfs/dbraw/zinc/61/49/96/993614996.db2.gz DQWVYJCPRIZSQE-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[C@@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC001577357662 993615001 /nfs/dbraw/zinc/61/50/01/993615001.db2.gz DQWVYJCPRIZSQE-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[C@H](C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC001577357663 993618077 /nfs/dbraw/zinc/61/80/77/993618077.db2.gz DQWVYJCPRIZSQE-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[C@H](C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)OC ZINC001577357663 993618090 /nfs/dbraw/zinc/61/80/90/993618090.db2.gz DQWVYJCPRIZSQE-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cn(C)c2ccccc12 ZINC000385294893 993654092 /nfs/dbraw/zinc/65/40/92/993654092.db2.gz XTYNPEDJFSJLCX-BXUZGUMPSA-N 2 2 243.354 2.100 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cn(C)c2ccccc12 ZINC000385294893 993654096 /nfs/dbraw/zinc/65/40/96/993654096.db2.gz XTYNPEDJFSJLCX-BXUZGUMPSA-N 2 2 243.354 2.100 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000389487698 993752856 /nfs/dbraw/zinc/75/28/56/993752856.db2.gz YYHCJJAIWZSMQF-MELADBBJSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000389487698 993752863 /nfs/dbraw/zinc/75/28/63/993752863.db2.gz YYHCJJAIWZSMQF-MELADBBJSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620678725 1170146756 /nfs/dbraw/zinc/14/67/56/1170146756.db2.gz HMXYPXRGVUALPN-LLVKDONJSA-N 2 2 221.348 2.398 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628782 1170691080 /nfs/dbraw/zinc/69/10/80/1170691080.db2.gz XLAMOCPAMHWIHS-NFAWXSAZSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001620628782 1170691083 /nfs/dbraw/zinc/69/10/83/1170691083.db2.gz XLAMOCPAMHWIHS-NFAWXSAZSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001620628782 1170691087 /nfs/dbraw/zinc/69/10/87/1170691087.db2.gz XLAMOCPAMHWIHS-NFAWXSAZSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001620628782 1170691094 /nfs/dbraw/zinc/69/10/94/1170691094.db2.gz XLAMOCPAMHWIHS-NFAWXSAZSA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745303 1170708278 /nfs/dbraw/zinc/70/82/78/1170708278.db2.gz RHCUBEQKUFOXHZ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1(C)CC1 ZINC001620745303 1170708289 /nfs/dbraw/zinc/70/82/89/1170708289.db2.gz RHCUBEQKUFOXHZ-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378685003 346808596 /nfs/dbraw/zinc/80/85/96/346808596.db2.gz BWTSIYOBNFQYKI-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC2(C)C)c1 ZINC000313250895 398143641 /nfs/dbraw/zinc/14/36/41/398143641.db2.gz FBHGLOAMQNDAHH-LBPRGKRZSA-N 2 2 221.348 2.131 20 0 BEADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1F ZINC000050545652 178022350 /nfs/dbraw/zinc/02/23/50/178022350.db2.gz HYZYBPVUSNADTQ-UHFFFAOYSA-N 2 2 233.290 2.120 20 0 BEADLP Cc1cc(CNc2cc[nH+]cc2C)cc(C)[nH+]1 ZINC000334989839 178009253 /nfs/dbraw/zinc/00/92/53/178009253.db2.gz SBMPHMQENFQORN-UHFFFAOYSA-N 2 2 227.311 2.436 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cs1 ZINC000336228292 178041557 /nfs/dbraw/zinc/04/15/57/178041557.db2.gz XRDSREZWCXFABE-NSHDSACASA-N 2 2 247.367 2.427 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cs1 ZINC000336228292 178041559 /nfs/dbraw/zinc/04/15/59/178041559.db2.gz XRDSREZWCXFABE-NSHDSACASA-N 2 2 247.367 2.427 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313278379 398182397 /nfs/dbraw/zinc/18/23/97/398182397.db2.gz GRQDWJNNRCGPGH-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(O)c1 ZINC000313297571 398190061 /nfs/dbraw/zinc/19/00/61/398190061.db2.gz LTOZLUXNBCBMCH-LLVKDONJSA-N 2 2 245.326 2.019 20 0 BEADLP Cc1cc(F)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000050577385 178087062 /nfs/dbraw/zinc/08/70/62/178087062.db2.gz QFKGVFXLRFGDPB-UHFFFAOYSA-N 2 2 233.290 2.120 20 0 BEADLP Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000228164575 178119973 /nfs/dbraw/zinc/11/99/73/178119973.db2.gz HFOLHNOZHLZZIH-RYUDHWBXSA-N 2 2 248.374 2.082 20 0 BEADLP Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000250966631 178120577 /nfs/dbraw/zinc/12/05/77/178120577.db2.gz QFOWJNVDZVOIPK-VXGBXAGGSA-N 2 2 248.374 2.082 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)[C@@H]1C ZINC000336712900 398205163 /nfs/dbraw/zinc/20/51/63/398205163.db2.gz VHKJNFMYZVHXSO-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc[nH+]1 ZINC000261555940 178134212 /nfs/dbraw/zinc/13/42/12/178134212.db2.gz BSUVVLQWWLXKQY-AAEUAGOBSA-N 2 2 247.342 2.236 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2ccncc2Cl)CC1 ZINC000649415969 398215853 /nfs/dbraw/zinc/21/58/53/398215853.db2.gz FDUSQYVZOVUCPP-UHFFFAOYSA-N 2 2 239.750 2.048 20 0 BEADLP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc[nH+]1 ZINC000301263203 178164868 /nfs/dbraw/zinc/16/48/68/178164868.db2.gz SVLOWSSACFZEDY-GFCCVEGCSA-N 2 2 236.363 2.173 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000336895919 398219031 /nfs/dbraw/zinc/21/90/31/398219031.db2.gz NPAUSMFACFHIAD-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000576386331 365581132 /nfs/dbraw/zinc/58/11/32/365581132.db2.gz CHMUEXIZKCNBJH-AWEZNQCLSA-N 2 2 218.344 2.337 20 0 BEADLP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]cn1 ZINC000301402761 178159758 /nfs/dbraw/zinc/15/97/58/178159758.db2.gz DFVDGQLJFNRKJQ-UHFFFAOYSA-N 2 2 245.330 2.182 20 0 BEADLP Cc1cc(NCCC[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000301247125 178160698 /nfs/dbraw/zinc/16/06/98/178160698.db2.gz OKCUWJGAZBIWGD-UHFFFAOYSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1cc(NCC[C@@H](C)[NH+]2CCCCC2)nc[nH+]1 ZINC000302140679 178161651 /nfs/dbraw/zinc/16/16/51/178161651.db2.gz JERMUECSLBELPL-CYBMUJFWSA-N 2 2 248.374 2.461 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000163635985 538929509 /nfs/dbraw/zinc/92/95/09/538929509.db2.gz SNOXOFYKAKUUBG-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(NC[C@H]([NH3+])C2CC2)nc(C(C)C)[nH+]1 ZINC000113502719 178168353 /nfs/dbraw/zinc/16/83/53/178168353.db2.gz DCQGABRVWOGODA-NSHDSACASA-N 2 2 234.347 2.058 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301564538 178189303 /nfs/dbraw/zinc/18/93/03/178189303.db2.gz JHFKXACJAILZKR-RYUDHWBXSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000042253341 178178703 /nfs/dbraw/zinc/17/87/03/178178703.db2.gz IMVXLOSJUXVMLJ-LBPRGKRZSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1cc(N[C@@H](C)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000286223927 178178922 /nfs/dbraw/zinc/17/89/22/178178922.db2.gz ATVQEGWQECDHHR-JTQLQIEISA-N 2 2 234.347 2.024 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc(C)[nH+]1 ZINC000042338368 178183354 /nfs/dbraw/zinc/18/33/54/178183354.db2.gz XVCYZSTXYMINCH-CHWSQXEVSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(C)[nH+]1 ZINC000042338368 178183359 /nfs/dbraw/zinc/18/33/59/178183359.db2.gz XVCYZSTXYMINCH-CHWSQXEVSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)cc[nH+]1 ZINC000229565069 178185948 /nfs/dbraw/zinc/18/59/48/178185948.db2.gz IYFOBJGUIJANDE-LLVKDONJSA-N 2 2 216.288 2.087 20 0 BEADLP C[NH+](C)[C@]1(C[NH2+]CC(C)(C)C)CCSC1 ZINC000165173980 538934670 /nfs/dbraw/zinc/93/46/70/538934670.db2.gz RUQVNDZKLCVARQ-LBPRGKRZSA-N 2 2 230.421 2.059 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421365734 192333251 /nfs/dbraw/zinc/33/32/51/192333251.db2.gz CBJXQBPMWWZKCN-ZFWWWQNUSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000421365734 192333253 /nfs/dbraw/zinc/33/32/53/192333253.db2.gz CBJXQBPMWWZKCN-ZFWWWQNUSA-N 2 2 248.370 2.168 20 0 BEADLP C[NH+](C)CCOc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000649430616 398233516 /nfs/dbraw/zinc/23/35/16/398233516.db2.gz JKXNIOUDGHEQRJ-UHFFFAOYSA-N 2 2 231.299 2.017 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)no1 ZINC000337552941 178254248 /nfs/dbraw/zinc/25/42/48/178254248.db2.gz PNPHGQJGMMXWJP-ZMLRMANQSA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)no1 ZINC000337552941 178254251 /nfs/dbraw/zinc/25/42/51/178254251.db2.gz PNPHGQJGMMXWJP-ZMLRMANQSA-N 2 2 237.347 2.116 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000337547551 178258198 /nfs/dbraw/zinc/25/81/98/178258198.db2.gz MKOCWPMJYVIFHL-AVGNSLFASA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000337547551 178258201 /nfs/dbraw/zinc/25/82/01/178258201.db2.gz MKOCWPMJYVIFHL-AVGNSLFASA-N 2 2 249.358 2.260 20 0 BEADLP CCC(CC)C[NH2+]CC(C)(C)[NH+](C)C ZINC000020125719 168360093 /nfs/dbraw/zinc/36/00/93/168360093.db2.gz HRVIYQXJJMXZAL-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP Cn1c[nH+]cc1-c1cccc(C[NH+](C)C)c1 ZINC000649436608 398238211 /nfs/dbraw/zinc/23/82/11/398238211.db2.gz LZNFSGJFLRSPCX-UHFFFAOYSA-N 2 2 215.300 2.149 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)no1 ZINC000371206004 178266949 /nfs/dbraw/zinc/26/69/49/178266949.db2.gz WLQNMBNTLOEOAN-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)no1 ZINC000371206004 178266950 /nfs/dbraw/zinc/26/69/50/178266950.db2.gz WLQNMBNTLOEOAN-CYBMUJFWSA-N 2 2 246.314 2.017 20 0 BEADLP CCC(CC)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000122194611 168361337 /nfs/dbraw/zinc/36/13/37/168361337.db2.gz HLMRKIGNOKMQIL-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(CC)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000122194611 168361338 /nfs/dbraw/zinc/36/13/38/168361338.db2.gz HLMRKIGNOKMQIL-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000094522110 398244916 /nfs/dbraw/zinc/24/49/16/398244916.db2.gz PQDDAHVFUKMVOH-HNNXBMFYSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000094522110 398244919 /nfs/dbraw/zinc/24/49/19/398244919.db2.gz PQDDAHVFUKMVOH-HNNXBMFYSA-N 2 2 230.355 2.358 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684002 168364683 /nfs/dbraw/zinc/36/46/83/168364683.db2.gz YMDBUSIPDRNRKS-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684002 168364687 /nfs/dbraw/zinc/36/46/87/168364687.db2.gz YMDBUSIPDRNRKS-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000232465776 136229277 /nfs/dbraw/zinc/22/92/77/136229277.db2.gz MXXKVFVNVVRDGN-TZMCWYRMSA-N 2 2 216.328 2.016 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473159 136229304 /nfs/dbraw/zinc/22/93/04/136229304.db2.gz WQKPONNJNDISGY-DZGCQCFKSA-N 2 2 230.355 2.406 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000310027685 168365225 /nfs/dbraw/zinc/36/52/25/168365225.db2.gz QDABBHQPRLLFMQ-LBPRGKRZSA-N 2 2 221.348 2.224 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368087837 168365286 /nfs/dbraw/zinc/36/52/86/168365286.db2.gz CNLKNOSGECZDHA-NSHDSACASA-N 2 2 221.348 2.293 20 0 BEADLP CCC(CC)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368087837 168365288 /nfs/dbraw/zinc/36/52/88/168365288.db2.gz CNLKNOSGECZDHA-NSHDSACASA-N 2 2 221.348 2.293 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000334559518 136231175 /nfs/dbraw/zinc/23/11/75/136231175.db2.gz HTYGYZYYCILWLN-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000334559518 136231176 /nfs/dbraw/zinc/23/11/76/136231176.db2.gz HTYGYZYYCILWLN-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000169141959 538946794 /nfs/dbraw/zinc/94/67/94/538946794.db2.gz JYDIAJYNMCOFTI-VXGBXAGGSA-N 2 2 247.342 2.129 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169141959 538946796 /nfs/dbraw/zinc/94/67/96/538946796.db2.gz JYDIAJYNMCOFTI-VXGBXAGGSA-N 2 2 247.342 2.129 20 0 BEADLP FC(F)C[N@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000386244422 398264152 /nfs/dbraw/zinc/26/41/52/398264152.db2.gz UEPAVLRJJFJLMD-UHFFFAOYSA-N 2 2 246.345 2.496 20 0 BEADLP FC(F)C[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000386244422 398264154 /nfs/dbraw/zinc/26/41/54/398264154.db2.gz UEPAVLRJJFJLMD-UHFFFAOYSA-N 2 2 246.345 2.496 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386252807 398264181 /nfs/dbraw/zinc/26/41/81/398264181.db2.gz SFAOCAATVLJXMA-SKDRFNHKSA-N 2 2 237.347 2.036 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386252807 398264182 /nfs/dbraw/zinc/26/41/82/398264182.db2.gz SFAOCAATVLJXMA-SKDRFNHKSA-N 2 2 237.347 2.036 20 0 BEADLP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000259097477 349543214 /nfs/dbraw/zinc/54/32/14/349543214.db2.gz UJCJRGCRVDGHJC-GFCCVEGCSA-N 2 2 240.297 2.197 20 0 BEADLP CCC(CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC000289543410 168372592 /nfs/dbraw/zinc/37/25/92/168372592.db2.gz WUINYFKVGRULPB-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP CCC(CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000289543410 168372595 /nfs/dbraw/zinc/37/25/95/168372595.db2.gz WUINYFKVGRULPB-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP COCC(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000178892013 538954062 /nfs/dbraw/zinc/95/40/62/538954062.db2.gz PAKPHOYZPKZHQJ-UHFFFAOYSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000335604190 136235929 /nfs/dbraw/zinc/23/59/29/136235929.db2.gz XFQWWQNAFBTOSP-TXEJJXNPSA-N 2 2 221.348 2.454 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000335604190 136235930 /nfs/dbraw/zinc/23/59/30/136235930.db2.gz XFQWWQNAFBTOSP-TXEJJXNPSA-N 2 2 221.348 2.454 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600204195 342701431 /nfs/dbraw/zinc/70/14/31/342701431.db2.gz PIUYVHHMQXDBOZ-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600204195 342701433 /nfs/dbraw/zinc/70/14/33/342701433.db2.gz PIUYVHHMQXDBOZ-ZDUSSCGKSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCCOC2)c[nH+]1 ZINC000348740844 136237206 /nfs/dbraw/zinc/23/72/06/136237206.db2.gz PMMYMBOZSWCLRP-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCCOC2)c[nH+]1 ZINC000348740844 136237207 /nfs/dbraw/zinc/23/72/07/136237207.db2.gz PMMYMBOZSWCLRP-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CCC(CC)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771360 168388509 /nfs/dbraw/zinc/38/85/09/168388509.db2.gz OWNWDVUFJBHIMQ-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000378915638 538975191 /nfs/dbraw/zinc/97/51/91/538975191.db2.gz YWJMNVKJNKBVBU-NDBYEHHHSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2[C@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000378915638 538975193 /nfs/dbraw/zinc/97/51/93/538975193.db2.gz YWJMNVKJNKBVBU-NDBYEHHHSA-N 2 2 210.365 2.390 20 0 BEADLP C[C@@H]([NH3+])CCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000630053801 361924659 /nfs/dbraw/zinc/92/46/59/361924659.db2.gz ZQAZOBAIRCQXSF-LLVKDONJSA-N 2 2 229.327 2.367 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000668002997 488182006 /nfs/dbraw/zinc/18/20/06/488182006.db2.gz DUMRRUUDNLLNLC-GWCFXTLKSA-N 2 2 221.348 2.349 20 0 BEADLP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000668002997 488182008 /nfs/dbraw/zinc/18/20/08/488182008.db2.gz DUMRRUUDNLLNLC-GWCFXTLKSA-N 2 2 221.348 2.349 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383956372 539012565 /nfs/dbraw/zinc/01/25/65/539012565.db2.gz HECQOAKWMCXCCV-OUAUKWLOSA-N 2 2 244.329 2.389 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383956372 539012567 /nfs/dbraw/zinc/01/25/67/539012567.db2.gz HECQOAKWMCXCCV-OUAUKWLOSA-N 2 2 244.329 2.389 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948530 539017714 /nfs/dbraw/zinc/01/77/14/539017714.db2.gz CPSPBZDFXOPRSP-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948530 539017715 /nfs/dbraw/zinc/01/77/15/539017715.db2.gz CPSPBZDFXOPRSP-DGCLKSJQSA-N 2 2 210.365 2.391 20 0 BEADLP CCc1cc(NCCCn2cc[nH+]c2C)nc[nH+]1 ZINC000078333524 342910740 /nfs/dbraw/zinc/91/07/40/342910740.db2.gz PHAYKJZDOHRFAF-UHFFFAOYSA-N 2 2 245.330 2.046 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000584005404 342900375 /nfs/dbraw/zinc/90/03/75/342900375.db2.gz SLSWACJTVNHIMG-DGCLKSJQSA-N 2 2 221.348 2.397 20 0 BEADLP CCCC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000037249314 342925254 /nfs/dbraw/zinc/92/52/54/342925254.db2.gz YKDMNCCIBGIWMA-LBPRGKRZSA-N 2 2 209.337 2.442 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000053343742 346887394 /nfs/dbraw/zinc/88/73/94/346887394.db2.gz AUSJIBCVVLFIFE-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000053343742 346887395 /nfs/dbraw/zinc/88/73/95/346887395.db2.gz AUSJIBCVVLFIFE-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000178066109 536666989 /nfs/dbraw/zinc/66/69/89/536666989.db2.gz LDUAGECVTIAWCW-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP COCCC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000178066109 536666992 /nfs/dbraw/zinc/66/69/92/536666992.db2.gz LDUAGECVTIAWCW-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCC1 ZINC000313268157 259332875 /nfs/dbraw/zinc/33/28/75/259332875.db2.gz VENLCZUVUCTOMP-LLVKDONJSA-N 2 2 221.348 2.131 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000053448218 346902085 /nfs/dbraw/zinc/90/20/85/346902085.db2.gz XBWIKWOALWYDRF-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(C)C ZINC000019959990 342964755 /nfs/dbraw/zinc/96/47/55/342964755.db2.gz PQJZOMSAPMTJFK-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(C)C ZINC000019959990 342964757 /nfs/dbraw/zinc/96/47/57/342964757.db2.gz PQJZOMSAPMTJFK-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1c2c(F)cccc2CC[N@H+]1CC(C)(C)[NH3+] ZINC000576822960 365694840 /nfs/dbraw/zinc/69/48/40/365694840.db2.gz KRSFPPVIPUHUOO-JTQLQIEISA-N 2 2 236.334 2.482 20 0 BEADLP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(C)(C)[NH3+] ZINC000576822960 365694844 /nfs/dbraw/zinc/69/48/44/365694844.db2.gz KRSFPPVIPUHUOO-JTQLQIEISA-N 2 2 236.334 2.482 20 0 BEADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000177088004 346921846 /nfs/dbraw/zinc/92/18/46/346921846.db2.gz JBYQWWRIOAAZKJ-UHFFFAOYSA-N 2 2 244.342 2.498 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000043393731 343062673 /nfs/dbraw/zinc/06/26/73/343062673.db2.gz JKVYJNFBLRKVEJ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000043393731 343062674 /nfs/dbraw/zinc/06/26/74/343062674.db2.gz JKVYJNFBLRKVEJ-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)C[N@@H+]1C1CC1 ZINC000119909551 343101045 /nfs/dbraw/zinc/10/10/45/343101045.db2.gz XFLGMLADRUFEMF-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCC2CC2)C[N@H+]1C1CC1 ZINC000119909551 343101046 /nfs/dbraw/zinc/10/10/46/343101046.db2.gz XFLGMLADRUFEMF-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCC1 ZINC000054081023 488205406 /nfs/dbraw/zinc/20/54/06/488205406.db2.gz AVEFNHANCQKSSL-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCC1 ZINC000054081023 488205409 /nfs/dbraw/zinc/20/54/09/488205409.db2.gz AVEFNHANCQKSSL-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000132500787 343188303 /nfs/dbraw/zinc/18/83/03/343188303.db2.gz SLXIBWQBUOXNFZ-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)s1 ZINC000070600440 343334323 /nfs/dbraw/zinc/33/43/23/343334323.db2.gz OGDWPFYHTAYXBO-VIFPVBQESA-N 2 2 232.780 2.474 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000335607640 136298411 /nfs/dbraw/zinc/29/84/11/136298411.db2.gz BROJHOBMMUHKOC-NWDGAFQWSA-N 2 2 222.332 2.338 20 0 BEADLP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[NH+](C)C ZINC000038088062 343369655 /nfs/dbraw/zinc/36/96/55/343369655.db2.gz DQSQKCLUEGPBDG-CHWSQXEVSA-N 2 2 220.360 2.330 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)[NH+](C)C ZINC000038087713 343369909 /nfs/dbraw/zinc/36/99/09/343369909.db2.gz CTBGZFDWRBHUGR-WFASDCNBSA-N 2 2 232.371 2.084 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000335635024 136300674 /nfs/dbraw/zinc/30/06/74/136300674.db2.gz IHRFYHUKGCXUKJ-GZMMTYOYSA-N 2 2 244.791 2.489 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000335643621 136303927 /nfs/dbraw/zinc/30/39/27/136303927.db2.gz QWACNYTTWBRVNE-ZDUSSCGKSA-N 2 2 222.307 2.057 20 0 BEADLP CC[NH+](CC)CC[NH2+]C(C1CC1)C1CC1 ZINC000037466589 343346308 /nfs/dbraw/zinc/34/63/08/343346308.db2.gz GNBGFMIXIFLRQE-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)CC[NH2+]1 ZINC000335640634 136308159 /nfs/dbraw/zinc/30/81/59/136308159.db2.gz OTFKHHYEQMDFEU-MWLCHTKSSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000335643034 136309138 /nfs/dbraw/zinc/30/91/38/136309138.db2.gz LZONQKRBEPXVSE-LLVKDONJSA-N 2 2 224.373 2.288 20 0 BEADLP C[C@@H](CCc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000041063990 343414650 /nfs/dbraw/zinc/41/46/50/343414650.db2.gz KNVSQQHQLRDQLY-AWEZNQCLSA-N 2 2 243.354 2.494 20 0 BEADLP CSc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063281 343414836 /nfs/dbraw/zinc/41/48/36/343414836.db2.gz AINGWTCEJQCQTG-UHFFFAOYSA-N 2 2 247.367 2.395 20 0 BEADLP C[C@@H]1c2ccccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000335679770 136320075 /nfs/dbraw/zinc/32/00/75/136320075.db2.gz VBPJHCSKYOUTJG-GFCCVEGCSA-N 2 2 227.311 2.460 20 0 BEADLP C[C@@H]1c2ccccc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000335679770 136320076 /nfs/dbraw/zinc/32/00/76/136320076.db2.gz VBPJHCSKYOUTJG-GFCCVEGCSA-N 2 2 227.311 2.460 20 0 BEADLP CCCC[C@@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130226927 136372684 /nfs/dbraw/zinc/37/26/84/136372684.db2.gz RLXUYAHRLHHHNQ-NWDGAFQWSA-N 2 2 200.370 2.495 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000335655647 136376108 /nfs/dbraw/zinc/37/61/08/136376108.db2.gz FYWXYNRPZZPDEO-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000335655647 136376109 /nfs/dbraw/zinc/37/61/09/136376109.db2.gz FYWXYNRPZZPDEO-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939023 343573987 /nfs/dbraw/zinc/57/39/87/343573987.db2.gz MXDVNSJXYINZMA-CYBMUJFWSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000070939023 343573989 /nfs/dbraw/zinc/57/39/89/343573989.db2.gz MXDVNSJXYINZMA-CYBMUJFWSA-N 2 2 243.354 2.352 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000071029216 343590772 /nfs/dbraw/zinc/59/07/72/343590772.db2.gz YKTUDOJUNPBKTC-HNNXBMFYSA-N 2 2 247.386 2.087 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000071029216 343590774 /nfs/dbraw/zinc/59/07/74/343590774.db2.gz YKTUDOJUNPBKTC-HNNXBMFYSA-N 2 2 247.386 2.087 20 0 BEADLP CC/C=C\CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436235 343733763 /nfs/dbraw/zinc/73/37/63/343733763.db2.gz GTNCSNZHIJMTEX-ARJAWSKDSA-N 2 2 205.305 2.124 20 0 BEADLP CC(C)C[C@H](C)[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434745 343735745 /nfs/dbraw/zinc/73/57/45/343735745.db2.gz GXHDTQOVIZYPDM-JTQLQIEISA-N 2 2 207.321 2.202 20 0 BEADLP CC(C)C[C@H](C)[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434745 343735747 /nfs/dbraw/zinc/73/57/47/343735747.db2.gz GXHDTQOVIZYPDM-JTQLQIEISA-N 2 2 207.321 2.202 20 0 BEADLP CC[NH+](CC)CCSCc1ccc[nH+]c1N ZINC000084060419 343717958 /nfs/dbraw/zinc/71/79/58/343717958.db2.gz IQGKWXRMRWDNET-UHFFFAOYSA-N 2 2 239.388 2.239 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000584166977 343767805 /nfs/dbraw/zinc/76/78/05/343767805.db2.gz YBYHDCIARIXDED-KBPBESRZSA-N 2 2 233.359 2.140 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336653684 537819023 /nfs/dbraw/zinc/81/90/23/537819023.db2.gz GGQKTSQUXLFGTH-FRRDWIJNSA-N 2 2 221.348 2.296 20 0 BEADLP C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336699646 537827102 /nfs/dbraw/zinc/82/71/02/537827102.db2.gz ZVWVJTZOYXHJIK-BNOWGMLFSA-N 2 2 220.360 2.001 20 0 BEADLP C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000336699646 537827112 /nfs/dbraw/zinc/82/71/12/537827112.db2.gz ZVWVJTZOYXHJIK-BNOWGMLFSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671752 344161721 /nfs/dbraw/zinc/16/17/21/344161721.db2.gz NQBAYGDGERBKPR-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671752 344161723 /nfs/dbraw/zinc/16/17/23/344161723.db2.gz NQBAYGDGERBKPR-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[NH+]1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000085711425 344208936 /nfs/dbraw/zinc/20/89/36/344208936.db2.gz LABGKEGZGVTAAO-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641323313 362364450 /nfs/dbraw/zinc/36/44/50/362364450.db2.gz FYDIMGNKZSXMQK-LLVKDONJSA-N 2 2 237.322 2.188 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC2(C)C)n1C ZINC000573459970 344273882 /nfs/dbraw/zinc/27/38/82/344273882.db2.gz RMXYADDJCAJNLO-NSHDSACASA-N 2 2 207.321 2.007 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cnc2ccccc2c1 ZINC000385066255 344314179 /nfs/dbraw/zinc/31/41/79/344314179.db2.gz GQYYELGVECCJTM-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000385066255 344314180 /nfs/dbraw/zinc/31/41/80/344314180.db2.gz GQYYELGVECCJTM-RISCZKNCSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cnc2ccccc2c1 ZINC000385066253 344314258 /nfs/dbraw/zinc/31/42/58/344314258.db2.gz GQYYELGVECCJTM-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cnc2ccccc2c1 ZINC000385066253 344314259 /nfs/dbraw/zinc/31/42/59/344314259.db2.gz GQYYELGVECCJTM-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070495 344317835 /nfs/dbraw/zinc/31/78/35/344317835.db2.gz DBBHJVJOEWBCTK-ABAIWWIYSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000385070495 344317836 /nfs/dbraw/zinc/31/78/36/344317836.db2.gz DBBHJVJOEWBCTK-ABAIWWIYSA-N 2 2 230.355 2.097 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000385200168 344376629 /nfs/dbraw/zinc/37/66/29/344376629.db2.gz QYHMDURVEVIISZ-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000385200168 344376631 /nfs/dbraw/zinc/37/66/31/344376631.db2.gz QYHMDURVEVIISZ-FZMZJTMJSA-N 2 2 218.344 2.171 20 0 BEADLP CCCCc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000634808574 344393078 /nfs/dbraw/zinc/39/30/78/344393078.db2.gz WTGABAXTXMSKHE-AAEUAGOBSA-N 2 2 248.374 2.372 20 0 BEADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451569 362426053 /nfs/dbraw/zinc/42/60/53/362426053.db2.gz YYMZIARMLZVRFL-YPMHNXCESA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]cc2F)C1 ZINC000641451569 362426057 /nfs/dbraw/zinc/42/60/57/362426057.db2.gz YYMZIARMLZVRFL-YPMHNXCESA-N 2 2 249.333 2.141 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000049551910 344652962 /nfs/dbraw/zinc/65/29/62/344652962.db2.gz NQWRJQMMDOEIDT-SNVBAGLBSA-N 2 2 210.321 2.018 20 0 BEADLP C[C@]12CCCC[C@H]1C[N@@H+]2CCn1cc[nH+]c1 ZINC000626103516 344740804 /nfs/dbraw/zinc/74/08/04/344740804.db2.gz DAXALTKJTFILHK-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP C[C@]12CCCC[C@H]1C[N@H+]2CCn1cc[nH+]c1 ZINC000626103516 344740807 /nfs/dbraw/zinc/74/08/07/344740807.db2.gz DAXALTKJTFILHK-STQMWFEESA-N 2 2 219.332 2.148 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000628162495 344863612 /nfs/dbraw/zinc/86/36/12/344863612.db2.gz SLVRDLCUCYDVLG-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000628162495 344863613 /nfs/dbraw/zinc/86/36/13/344863613.db2.gz SLVRDLCUCYDVLG-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c[nH+]1 ZINC000128078256 178771944 /nfs/dbraw/zinc/77/19/44/178771944.db2.gz ZHHRAXFEIPUVMH-VXGBXAGGSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c[nH+]1 ZINC000128078256 178771946 /nfs/dbraw/zinc/77/19/46/178771946.db2.gz ZHHRAXFEIPUVMH-VXGBXAGGSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000153759896 344967159 /nfs/dbraw/zinc/96/71/59/344967159.db2.gz JISFTEYLKKAQDW-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000153759896 344967162 /nfs/dbraw/zinc/96/71/62/344967162.db2.gz JISFTEYLKKAQDW-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000153759896 344967165 /nfs/dbraw/zinc/96/71/65/344967165.db2.gz JISFTEYLKKAQDW-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000153759896 344967167 /nfs/dbraw/zinc/96/71/67/344967167.db2.gz JISFTEYLKKAQDW-OAHLLOKOSA-N 2 2 247.386 2.164 20 0 BEADLP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153796227 344975200 /nfs/dbraw/zinc/97/52/00/344975200.db2.gz VHRJZKLJYNECHM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153796227 344975202 /nfs/dbraw/zinc/97/52/02/344975202.db2.gz VHRJZKLJYNECHM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000336744200 168512896 /nfs/dbraw/zinc/51/28/96/168512896.db2.gz ZBGYQDTWYAUQMV-YWPUVAFDSA-N 2 2 210.365 2.247 20 0 BEADLP CCC1CC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000336744200 168512900 /nfs/dbraw/zinc/51/29/00/168512900.db2.gz ZBGYQDTWYAUQMV-YWPUVAFDSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000385568169 344996944 /nfs/dbraw/zinc/99/69/44/344996944.db2.gz CPOZLLWOZIEFQF-YHWZYXNKSA-N 2 2 249.358 2.006 20 0 BEADLP Cc1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000385568169 344996946 /nfs/dbraw/zinc/99/69/46/344996946.db2.gz CPOZLLWOZIEFQF-YHWZYXNKSA-N 2 2 249.358 2.006 20 0 BEADLP CC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641630149 362560788 /nfs/dbraw/zinc/56/07/88/362560788.db2.gz TUCULHTVFRFCHB-LLVKDONJSA-N 2 2 237.322 2.141 20 0 BEADLP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000156579188 345176840 /nfs/dbraw/zinc/17/68/40/345176840.db2.gz OHKIUXBDTYSZII-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000156579188 345176845 /nfs/dbraw/zinc/17/68/45/345176845.db2.gz OHKIUXBDTYSZII-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP C[N@H+](CC12CC(C1)C[NH2+]2)C1(C)CCCC1 ZINC000634995039 345183840 /nfs/dbraw/zinc/18/38/40/345183840.db2.gz SPFXLXUPRWNBSB-UHFFFAOYSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@@H+](CC12CC(C1)C[NH2+]2)C1(C)CCCC1 ZINC000634995039 345183841 /nfs/dbraw/zinc/18/38/41/345183841.db2.gz SPFXLXUPRWNBSB-UHFFFAOYSA-N 2 2 208.349 2.003 20 0 BEADLP C([N@@H+]1CCCC[C@@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634996681 345191307 /nfs/dbraw/zinc/19/13/07/345191307.db2.gz QNTMBJFXOKGISA-HNFVBEJKSA-N 2 2 234.387 2.393 20 0 BEADLP C([N@@H+]1CCC[C@H](C2CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996141 345186961 /nfs/dbraw/zinc/18/69/61/345186961.db2.gz APBMHWALUNYTLA-BLZCZZARSA-N 2 2 234.387 2.251 20 0 BEADLP C([N@H+]1CCC[C@H](C2CCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996141 345186962 /nfs/dbraw/zinc/18/69/62/345186962.db2.gz APBMHWALUNYTLA-BLZCZZARSA-N 2 2 234.387 2.251 20 0 BEADLP C([N@H+]1CCCC[C@@H]1C1CCC1)C12CC(C1)C[NH2+]2 ZINC000634996681 345191309 /nfs/dbraw/zinc/19/13/09/345191309.db2.gz QNTMBJFXOKGISA-HNFVBEJKSA-N 2 2 234.387 2.393 20 0 BEADLP Cc1ccccc1C1([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634996163 345187485 /nfs/dbraw/zinc/18/74/85/345187485.db2.gz BIQFQTAEENDRSZ-UHFFFAOYSA-N 2 2 242.366 2.326 20 0 BEADLP C(C1CC1)[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000156297950 345144749 /nfs/dbraw/zinc/14/47/49/345144749.db2.gz MPMBXQOMFYFRSI-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CC1)[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000156297950 345144751 /nfs/dbraw/zinc/14/47/51/345144751.db2.gz MPMBXQOMFYFRSI-CQSZACIVSA-N 2 2 222.376 2.347 20 0 BEADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)F ZINC000635003404 345206235 /nfs/dbraw/zinc/20/62/35/345206235.db2.gz JGSIOUZARXKVKH-AAEUAGOBSA-N 2 2 238.350 2.283 20 0 BEADLP C[C@H](C[N@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000635004437 345207941 /nfs/dbraw/zinc/20/79/41/345207941.db2.gz OKYZEIKRZSWAOW-LKSINWNRSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H](C[N@@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000635004437 345207944 /nfs/dbraw/zinc/20/79/44/345207944.db2.gz OKYZEIKRZSWAOW-LKSINWNRSA-N 2 2 224.392 2.352 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000635006373 345210538 /nfs/dbraw/zinc/21/05/38/345210538.db2.gz MIZMFEXBYKPZIC-ATZCPNFKSA-N 2 2 239.388 2.243 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c[nH+]ccc1N ZINC000635010877 345212646 /nfs/dbraw/zinc/21/26/46/345212646.db2.gz BPSGQVBMUSBTNS-SKWCMTHISA-N 2 2 245.248 2.096 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000635011198 345212851 /nfs/dbraw/zinc/21/28/51/345212851.db2.gz DIBGPUWYBMTUTQ-XFWSIPNHSA-N 2 2 236.281 2.057 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1c[nH+]ccc1N ZINC000635010874 345212868 /nfs/dbraw/zinc/21/28/68/345212868.db2.gz BPSGQVBMUSBTNS-GTNGPMTGSA-N 2 2 245.248 2.096 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000635013830 345218214 /nfs/dbraw/zinc/21/82/14/345218214.db2.gz WLVDVHDCZPFMPB-SGIHWFKDSA-N 2 2 236.281 2.057 20 0 BEADLP CCC(C)(C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635019590 345222603 /nfs/dbraw/zinc/22/26/03/345222603.db2.gz ISGNHRGCXCJCHB-QWHCGFSZSA-N 2 2 242.407 2.169 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000390210518 345291847 /nfs/dbraw/zinc/29/18/47/345291847.db2.gz VAASVWKEKPBWRM-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000390210518 345291850 /nfs/dbraw/zinc/29/18/50/345291850.db2.gz VAASVWKEKPBWRM-IHRRRGAJSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CSC[C@H]1C ZINC000449141447 201818554 /nfs/dbraw/zinc/81/85/54/201818554.db2.gz LMOTZGJGIISSBT-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CSC[C@H]1C ZINC000449141447 201818557 /nfs/dbraw/zinc/81/85/57/201818557.db2.gz LMOTZGJGIISSBT-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP c1coc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865684 345666155 /nfs/dbraw/zinc/66/61/55/345666155.db2.gz HWQKVGXHPSACBX-CQSZACIVSA-N 2 2 244.294 2.328 20 0 BEADLP c1coc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865684 345666156 /nfs/dbraw/zinc/66/61/56/345666156.db2.gz HWQKVGXHPSACBX-CQSZACIVSA-N 2 2 244.294 2.328 20 0 BEADLP COc1ccsc1C[N@H+](C)CCC[NH+](C)C ZINC000575367533 345707122 /nfs/dbraw/zinc/70/71/22/345707122.db2.gz AEYOJFSGYOJJSY-UHFFFAOYSA-N 2 2 242.388 2.140 20 0 BEADLP COc1ccsc1C[N@@H+](C)CCC[NH+](C)C ZINC000575367533 345707123 /nfs/dbraw/zinc/70/71/23/345707123.db2.gz AEYOJFSGYOJJSY-UHFFFAOYSA-N 2 2 242.388 2.140 20 0 BEADLP CC[C@H]([NH2+]Cc1cccs1)[C@@H]1CCC[NH2+]1 ZINC000198720078 345727482 /nfs/dbraw/zinc/72/74/82/345727482.db2.gz IULARLCFNHYHQR-RYUDHWBXSA-N 2 2 224.373 2.368 20 0 BEADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000381449925 345924107 /nfs/dbraw/zinc/92/41/07/345924107.db2.gz GPDJZRBZCNUBCM-UHFFFAOYSA-N 2 2 219.332 2.109 20 0 BEADLP Cc1[nH+]cc(CNc2cccc(C)[nH+]2)n1C ZINC000577076695 365806611 /nfs/dbraw/zinc/80/66/11/365806611.db2.gz CGCZQBOGMHHZSO-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000151070431 537941544 /nfs/dbraw/zinc/94/15/44/537941544.db2.gz HAIOLGUUXSNHPD-SMDDNHRTSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000151070431 537941552 /nfs/dbraw/zinc/94/15/52/537941552.db2.gz HAIOLGUUXSNHPD-SMDDNHRTSA-N 2 2 245.370 2.105 20 0 BEADLP FC1(C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000381501811 346168679 /nfs/dbraw/zinc/16/86/79/346168679.db2.gz PSFSOEKSAFIIEY-GFCCVEGCSA-N 2 2 226.339 2.095 20 0 BEADLP FC1(C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000381501811 346168680 /nfs/dbraw/zinc/16/86/80/346168680.db2.gz PSFSOEKSAFIIEY-GFCCVEGCSA-N 2 2 226.339 2.095 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000397533639 346200773 /nfs/dbraw/zinc/20/07/73/346200773.db2.gz MLPUHIVJDDLKLM-TZMCWYRMSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628233533 346192394 /nfs/dbraw/zinc/19/23/94/346192394.db2.gz IIQDENRJFHLRGQ-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@]2(C)CCCS2)C1 ZINC000628233533 346192395 /nfs/dbraw/zinc/19/23/95/346192395.db2.gz IIQDENRJFHLRGQ-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679074701 488305968 /nfs/dbraw/zinc/30/59/68/488305968.db2.gz UVSWRKGRRUSCOR-JFGNBEQYSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000679074701 488305971 /nfs/dbraw/zinc/30/59/71/488305971.db2.gz UVSWRKGRRUSCOR-JFGNBEQYSA-N 2 2 244.329 2.247 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221388133 179035017 /nfs/dbraw/zinc/03/50/17/179035017.db2.gz HDVBUHSGRUAXCF-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221388133 179035019 /nfs/dbraw/zinc/03/50/19/179035019.db2.gz HDVBUHSGRUAXCF-GOEBONIOSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000091058125 179036858 /nfs/dbraw/zinc/03/68/58/179036858.db2.gz LJKPRXSUKKRJDI-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000091058125 179036860 /nfs/dbraw/zinc/03/68/60/179036860.db2.gz LJKPRXSUKKRJDI-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000091058124 179037847 /nfs/dbraw/zinc/03/78/47/179037847.db2.gz LJKPRXSUKKRJDI-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000091058124 179037848 /nfs/dbraw/zinc/03/78/48/179037848.db2.gz LJKPRXSUKKRJDI-AWEZNQCLSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1cccc(CC[C@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000040500384 179061521 /nfs/dbraw/zinc/06/15/21/179061521.db2.gz GSPYEUGPEKUOSI-AWEZNQCLSA-N 2 2 234.387 2.467 20 0 BEADLP Cc1cccc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)n1 ZINC000336720107 179065081 /nfs/dbraw/zinc/06/50/81/179065081.db2.gz WKVSIPGVMKDABO-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)n1 ZINC000336720107 179065084 /nfs/dbraw/zinc/06/50/84/179065084.db2.gz WKVSIPGVMKDABO-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000336720107 179065087 /nfs/dbraw/zinc/06/50/87/179065087.db2.gz WKVSIPGVMKDABO-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1cccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)n1 ZINC000336720107 179065089 /nfs/dbraw/zinc/06/50/89/179065089.db2.gz WKVSIPGVMKDABO-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000574924516 346414625 /nfs/dbraw/zinc/41/46/25/346414625.db2.gz SBKYTTWXPUCQSH-OLZOCXBDSA-N 2 2 231.343 2.318 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000574924516 346414628 /nfs/dbraw/zinc/41/46/28/346414628.db2.gz SBKYTTWXPUCQSH-OLZOCXBDSA-N 2 2 231.343 2.318 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000334175558 346438773 /nfs/dbraw/zinc/43/87/73/346438773.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000334175558 346438775 /nfs/dbraw/zinc/43/87/75/346438775.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)nc1 ZINC000334175558 346438777 /nfs/dbraw/zinc/43/87/77/346438777.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)nc1 ZINC000334175558 346438778 /nfs/dbraw/zinc/43/87/78/346438778.db2.gz CJKZYYYVKLFKEJ-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[NH2+]C2CC[NH+](C)CC2)c1F ZINC000083363898 179090364 /nfs/dbraw/zinc/09/03/64/179090364.db2.gz ISWMZGRQJLNKHB-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP CCC(F)(F)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641799175 362746230 /nfs/dbraw/zinc/74/62/30/362746230.db2.gz NSLBNLXVDYRXEA-GFCCVEGCSA-N 2 2 246.345 2.353 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000641796955 362740432 /nfs/dbraw/zinc/74/04/32/362740432.db2.gz NKYBQRDUTAKCTE-SNVBAGLBSA-N 2 2 247.367 2.077 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000641796955 362740438 /nfs/dbraw/zinc/74/04/38/362740438.db2.gz NKYBQRDUTAKCTE-SNVBAGLBSA-N 2 2 247.367 2.077 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683891 179097164 /nfs/dbraw/zinc/09/71/64/179097164.db2.gz SBXPIZKAGXWCJG-CQSZACIVSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683891 179097166 /nfs/dbraw/zinc/09/71/66/179097166.db2.gz SBXPIZKAGXWCJG-CQSZACIVSA-N 2 2 230.355 2.321 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000580062460 346502536 /nfs/dbraw/zinc/50/25/36/346502536.db2.gz FCJBLANSYTWOKO-FZMZJTMJSA-N 2 2 248.370 2.392 20 0 BEADLP Cc1ccncc1C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805603 362762853 /nfs/dbraw/zinc/76/28/53/362762853.db2.gz OMUGWDPZZWLKRP-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccncc1C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805603 362762859 /nfs/dbraw/zinc/76/28/59/362762859.db2.gz OMUGWDPZZWLKRP-LNSITVRQSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805673 362763347 /nfs/dbraw/zinc/76/33/47/362763347.db2.gz GHOHWSRIXHMHRH-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ccc(C[N@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])cn1 ZINC000641805673 362763353 /nfs/dbraw/zinc/76/33/53/362763353.db2.gz GHOHWSRIXHMHRH-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1F ZINC000679225063 488321402 /nfs/dbraw/zinc/32/14/02/488321402.db2.gz WISCUFNWBSWABN-AGIUHOORSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1F ZINC000679225063 488321404 /nfs/dbraw/zinc/32/14/04/488321404.db2.gz WISCUFNWBSWABN-AGIUHOORSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1F ZINC000679225063 488321405 /nfs/dbraw/zinc/32/14/05/488321405.db2.gz WISCUFNWBSWABN-AGIUHOORSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1F ZINC000679225063 488321408 /nfs/dbraw/zinc/32/14/08/488321408.db2.gz WISCUFNWBSWABN-AGIUHOORSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000380156613 346566373 /nfs/dbraw/zinc/56/63/73/346566373.db2.gz ZFILEYPLVBFKSD-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000380156613 346566375 /nfs/dbraw/zinc/56/63/75/346566375.db2.gz ZFILEYPLVBFKSD-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1[nH+]ccn1CCCN(C)c1cccc(C)[nH+]1 ZINC000158131573 179116079 /nfs/dbraw/zinc/11/60/79/179116079.db2.gz WMVMEVXVNYTELI-UHFFFAOYSA-N 2 2 244.342 2.421 20 0 BEADLP Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000157801504 179123987 /nfs/dbraw/zinc/12/39/87/179123987.db2.gz XUINIERKSQNOIR-OLZOCXBDSA-N 2 2 231.343 2.063 20 0 BEADLP Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000157801504 179123989 /nfs/dbraw/zinc/12/39/89/179123989.db2.gz XUINIERKSQNOIR-OLZOCXBDSA-N 2 2 231.343 2.063 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000300413533 346671477 /nfs/dbraw/zinc/67/14/77/346671477.db2.gz AKHHIMHTVNDYKW-CLLJXQQHSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000300413533 346671483 /nfs/dbraw/zinc/67/14/83/346671483.db2.gz AKHHIMHTVNDYKW-CLLJXQQHSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000588178010 346643349 /nfs/dbraw/zinc/64/33/49/346643349.db2.gz BBZIIYDPUFLNLU-FUVBFXSKSA-N 2 2 230.355 2.384 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000588178010 346643352 /nfs/dbraw/zinc/64/33/52/346643352.db2.gz BBZIIYDPUFLNLU-FUVBFXSKSA-N 2 2 230.355 2.384 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)o1 ZINC000037502791 346701810 /nfs/dbraw/zinc/70/18/10/346701810.db2.gz BOVPDLLCIJHBMP-SECBINFHSA-N 2 2 239.706 2.308 20 0 BEADLP Cc1cccc(NCC(C)(C)[NH+](C)C)[nH+]1 ZINC000043411892 179143597 /nfs/dbraw/zinc/14/35/97/179143597.db2.gz RONZLJXPVFJWAF-UHFFFAOYSA-N 2 2 207.321 2.142 20 0 BEADLP Cc1cccc(NCC[NH+]2CCCCC2)[nH+]1 ZINC000049575233 179145457 /nfs/dbraw/zinc/14/54/57/179145457.db2.gz PVMPUIPPEMYJHJ-UHFFFAOYSA-N 2 2 219.332 2.288 20 0 BEADLP Cc1cccc(NC[C@H]2CCCC[N@H+]2C)[nH+]1 ZINC000044563176 179147663 /nfs/dbraw/zinc/14/76/63/179147663.db2.gz AIEPJYFXNVQRPE-GFCCVEGCSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1cccc(NC[C@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000044563176 179147665 /nfs/dbraw/zinc/14/76/65/179147665.db2.gz AIEPJYFXNVQRPE-GFCCVEGCSA-N 2 2 219.332 2.286 20 0 BEADLP Cc1cccc(N[C@H]2CCC[N@H+](C)[C@H]2C)[nH+]1 ZINC000309504002 179157997 /nfs/dbraw/zinc/15/79/97/179157997.db2.gz VLRLTVMTGMEXDJ-RYUDHWBXSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cccc(N[C@H]2CCC[N@@H+](C)[C@H]2C)[nH+]1 ZINC000309504002 179157998 /nfs/dbraw/zinc/15/79/98/179157998.db2.gz VLRLTVMTGMEXDJ-RYUDHWBXSA-N 2 2 219.332 2.285 20 0 BEADLP CC1(C)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182749441 347105197 /nfs/dbraw/zinc/10/51/97/347105197.db2.gz GCPKEOLOFPOOLV-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CC1(C)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182749441 347105198 /nfs/dbraw/zinc/10/51/98/347105198.db2.gz GCPKEOLOFPOOLV-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CCCC[N@H+](CCCn1cc[nH+]c1)CCOC ZINC000182775426 347106521 /nfs/dbraw/zinc/10/65/21/347106521.db2.gz QOSPXZWHDAXKFJ-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP CCCC[N@@H+](CCCn1cc[nH+]c1)CCOC ZINC000182775426 347106524 /nfs/dbraw/zinc/10/65/24/347106524.db2.gz QOSPXZWHDAXKFJ-UHFFFAOYSA-N 2 2 239.363 2.022 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000250595373 537986976 /nfs/dbraw/zinc/98/69/76/537986976.db2.gz IODVGRCQFCJVOE-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000641821638 362772124 /nfs/dbraw/zinc/77/21/24/362772124.db2.gz NEPHSXFKSRWXJG-QWRGUYRKSA-N 2 2 234.334 2.481 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000641821638 362772127 /nfs/dbraw/zinc/77/21/27/362772127.db2.gz NEPHSXFKSRWXJG-QWRGUYRKSA-N 2 2 234.334 2.481 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000250595373 537986983 /nfs/dbraw/zinc/98/69/83/537986983.db2.gz IODVGRCQFCJVOE-ZFWWWQNUSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050228060 179180931 /nfs/dbraw/zinc/18/09/31/179180931.db2.gz JLHOQWPJKVWTPB-YPMHNXCESA-N 2 2 204.317 2.089 20 0 BEADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050228060 179180934 /nfs/dbraw/zinc/18/09/34/179180934.db2.gz JLHOQWPJKVWTPB-YPMHNXCESA-N 2 2 204.317 2.089 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000310038022 347221818 /nfs/dbraw/zinc/22/18/18/347221818.db2.gz VRTNLYPELSOAOZ-RYUDHWBXSA-N 2 2 221.348 2.366 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)CCCO)c[nH+]1 ZINC000354510686 187373838 /nfs/dbraw/zinc/37/38/38/187373838.db2.gz LWRSSEMFZOCJKS-LBPRGKRZSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041046881 179192715 /nfs/dbraw/zinc/19/27/15/179192715.db2.gz JCYOGLULNHMTGV-JSGCOSHPSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041046881 179192717 /nfs/dbraw/zinc/19/27/17/179192717.db2.gz JCYOGLULNHMTGV-JSGCOSHPSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042545810 179196429 /nfs/dbraw/zinc/19/64/29/179196429.db2.gz RCKBNSQSWSVBMR-GXTWGEPZSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042545810 179196432 /nfs/dbraw/zinc/19/64/32/179196432.db2.gz RCKBNSQSWSVBMR-GXTWGEPZSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1ccccc1CC[N@H+](C)CCn1cc[nH+]c1 ZINC000295693870 179262851 /nfs/dbraw/zinc/26/28/51/179262851.db2.gz LXLUTTPVVRWLSH-UHFFFAOYSA-N 2 2 243.354 2.366 20 0 BEADLP Cc1ccccc1CC[N@@H+](C)CCn1cc[nH+]c1 ZINC000295693870 179262854 /nfs/dbraw/zinc/26/28/54/179262854.db2.gz LXLUTTPVVRWLSH-UHFFFAOYSA-N 2 2 243.354 2.366 20 0 BEADLP Cc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000163686972 179280671 /nfs/dbraw/zinc/28/06/71/179280671.db2.gz PEUYXRCEWDUMME-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000163686972 179280673 /nfs/dbraw/zinc/28/06/73/179280673.db2.gz PEUYXRCEWDUMME-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CC(C)=CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867929 347708607 /nfs/dbraw/zinc/70/86/07/347708607.db2.gz UFZRMOBJFHOBPU-ZDUSSCGKSA-N 2 2 219.332 2.486 20 0 BEADLP CC(C)=CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867929 347708611 /nfs/dbraw/zinc/70/86/11/347708611.db2.gz UFZRMOBJFHOBPU-ZDUSSCGKSA-N 2 2 219.332 2.486 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309761765 179284304 /nfs/dbraw/zinc/28/43/04/179284304.db2.gz IVBMZGYFHVAFDB-TZMCWYRMSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309761765 179284305 /nfs/dbraw/zinc/28/43/05/179284305.db2.gz IVBMZGYFHVAFDB-TZMCWYRMSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309761763 179284865 /nfs/dbraw/zinc/28/48/65/179284865.db2.gz IVBMZGYFHVAFDB-OCCSQVGLSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309761763 179284866 /nfs/dbraw/zinc/28/48/66/179284866.db2.gz IVBMZGYFHVAFDB-OCCSQVGLSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358002521 179290711 /nfs/dbraw/zinc/29/07/11/179290711.db2.gz GHYJWQNQQKIGBZ-IJEWVQPXSA-N 2 2 246.398 2.466 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358002521 179290713 /nfs/dbraw/zinc/29/07/13/179290713.db2.gz GHYJWQNQQKIGBZ-IJEWVQPXSA-N 2 2 246.398 2.466 20 0 BEADLP CC(C)(C[NH2+]Cc1ccccn1)C[NH+]1CCCC1 ZINC000360168079 187381167 /nfs/dbraw/zinc/38/11/67/187381167.db2.gz ILHOWLZLTXEYBE-UHFFFAOYSA-N 2 2 247.386 2.293 20 0 BEADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235213512 179321691 /nfs/dbraw/zinc/32/16/91/179321691.db2.gz GPOMRGYMJMZDEP-CHWSQXEVSA-N 2 2 218.344 2.398 20 0 BEADLP CCCC[C@@H](COC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000577413306 365950395 /nfs/dbraw/zinc/95/03/95/365950395.db2.gz YHMSWDVHCBXRRN-LBPRGKRZSA-N 2 2 239.363 2.023 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000235517094 179337321 /nfs/dbraw/zinc/33/73/21/179337321.db2.gz GPOMRGYMJMZDEP-QWHCGFSZSA-N 2 2 218.344 2.398 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CSCCF)[N@H+](C)C1CC1 ZINC000595009844 348160059 /nfs/dbraw/zinc/16/00/59/348160059.db2.gz DQIQVNDWWIPJON-WDEREUQCSA-N 2 2 248.411 2.150 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)CSCCF)[N@@H+](C)C1CC1 ZINC000595009844 348160061 /nfs/dbraw/zinc/16/00/61/348160061.db2.gz DQIQVNDWWIPJON-WDEREUQCSA-N 2 2 248.411 2.150 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CSCCF ZINC000595003850 348169402 /nfs/dbraw/zinc/16/94/02/348169402.db2.gz LLPLUYRWPRODFM-VXGBXAGGSA-N 2 2 248.411 2.152 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CSCCF ZINC000595003850 348169407 /nfs/dbraw/zinc/16/94/07/348169407.db2.gz LLPLUYRWPRODFM-VXGBXAGGSA-N 2 2 248.411 2.152 20 0 BEADLP Cc1cccnc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000228358135 179372835 /nfs/dbraw/zinc/37/28/35/179372835.db2.gz DXPWTHXJTWZTIG-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000228358135 179372836 /nfs/dbraw/zinc/37/28/36/179372836.db2.gz DXPWTHXJTWZTIG-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cccnc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000228358148 179373732 /nfs/dbraw/zinc/37/37/32/179373732.db2.gz DXPWTHXJTWZTIG-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000228358148 179373736 /nfs/dbraw/zinc/37/37/36/179373736.db2.gz DXPWTHXJTWZTIG-GXTWGEPZSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cccnc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000281206566 179369916 /nfs/dbraw/zinc/36/99/16/179369916.db2.gz JJTMMCOELZWJOV-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1cccnc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281206566 179369919 /nfs/dbraw/zinc/36/99/19/179369919.db2.gz JJTMMCOELZWJOV-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000037248748 348291254 /nfs/dbraw/zinc/29/12/54/348291254.db2.gz SWHSDLBUSSJAHC-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCCC[NH3+] ZINC000336692492 187393275 /nfs/dbraw/zinc/39/32/75/187393275.db2.gz HUZKCMUFBBYMAW-KGLIPLIRSA-N 3 2 243.439 2.070 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C1CC(OC(C)C)C1 ZINC000275101195 179695922 /nfs/dbraw/zinc/69/59/22/179695922.db2.gz CJUHRMJUQZWLEM-UHFFFAOYSA-N 2 2 248.370 2.478 20 0 BEADLP Cc1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000638702290 352540690 /nfs/dbraw/zinc/54/06/90/352540690.db2.gz ZSWLBXTWJGYCPW-YHWZYXNKSA-N 2 2 249.358 2.088 20 0 BEADLP Cc1cnc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000638702290 352540694 /nfs/dbraw/zinc/54/06/94/352540694.db2.gz ZSWLBXTWJGYCPW-YHWZYXNKSA-N 2 2 249.358 2.088 20 0 BEADLP COC1([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)CCCC1 ZINC000421802807 192384173 /nfs/dbraw/zinc/38/41/73/192384173.db2.gz OPWRWRQYMIFUGF-GFCCVEGCSA-N 2 2 242.407 2.264 20 0 BEADLP COC1([C@H](C)[NH2+]CC(C)(C)[NH+](C)C)CCCC1 ZINC000421802808 192384547 /nfs/dbraw/zinc/38/45/47/192384547.db2.gz OPWRWRQYMIFUGF-LBPRGKRZSA-N 2 2 242.407 2.264 20 0 BEADLP COC1([C@@H](C)[NH2+]CC[NH+]2CCCC2)CCCC1 ZINC000421817627 192388868 /nfs/dbraw/zinc/38/88/68/192388868.db2.gz VXRZSAZUPHDMDK-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)CCCC1 ZINC000421824923 192386640 /nfs/dbraw/zinc/38/66/40/192386640.db2.gz KXXXZNSMAOYVRR-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)CCCC1 ZINC000421824923 192386643 /nfs/dbraw/zinc/38/66/43/192386643.db2.gz KXXXZNSMAOYVRR-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250998320 538029384 /nfs/dbraw/zinc/02/93/84/538029384.db2.gz IMIONTBNBXLXGC-ZFWWWQNUSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250998320 538029391 /nfs/dbraw/zinc/02/93/91/538029391.db2.gz IMIONTBNBXLXGC-ZFWWWQNUSA-N 2 2 245.370 2.106 20 0 BEADLP CC(C)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250548052 349174792 /nfs/dbraw/zinc/17/47/92/349174792.db2.gz GMVCZWXZTOHFOX-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250548052 349174795 /nfs/dbraw/zinc/17/47/95/349174795.db2.gz GMVCZWXZTOHFOX-CHWSQXEVSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000043327451 179919950 /nfs/dbraw/zinc/91/99/50/179919950.db2.gz PYFFRDDBLUWJPQ-GXSJLCMTSA-N 2 2 239.388 2.163 20 0 BEADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000161325085 349422394 /nfs/dbraw/zinc/42/23/94/349422394.db2.gz ALBWZXYLSJFTPY-GFCCVEGCSA-N 2 2 248.305 2.158 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@H]2CCC[C@@H]21 ZINC000382333285 350109714 /nfs/dbraw/zinc/10/97/14/350109714.db2.gz XEUGTHICVOZFJU-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@H]2CCC[C@@H]21 ZINC000382333285 350109717 /nfs/dbraw/zinc/10/97/17/350109717.db2.gz XEUGTHICVOZFJU-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cs1 ZINC000293705255 180037212 /nfs/dbraw/zinc/03/72/12/180037212.db2.gz OSKOEUOYODKBNQ-NXEZZACHSA-N 2 2 241.404 2.300 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCC1 ZINC000304482163 350160315 /nfs/dbraw/zinc/16/03/15/350160315.db2.gz BCRKPFSQKWTZCY-YNEHKIRRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCCC1(C)C ZINC000130384324 490348703 /nfs/dbraw/zinc/34/87/03/490348703.db2.gz GVDJWPXZFNCCQG-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000227199144 180143049 /nfs/dbraw/zinc/14/30/49/180143049.db2.gz HQQATSXARCFIIU-BXKDBHETSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000227199144 180143051 /nfs/dbraw/zinc/14/30/51/180143051.db2.gz HQQATSXARCFIIU-BXKDBHETSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncc(C[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000049538888 180153035 /nfs/dbraw/zinc/15/30/35/180153035.db2.gz OUTZFDOZPLUQQH-ZDUSSCGKSA-N 2 2 247.367 2.241 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]CC1(C)CC1 ZINC000309220275 350203417 /nfs/dbraw/zinc/20/34/17/350203417.db2.gz VCNMDZDQFOJECW-UHFFFAOYSA-N 2 2 204.317 2.322 20 0 BEADLP Cc1nc(NCC[C@H](C)[NH+]2CCCCC2)cc[nH+]1 ZINC000182340472 180198955 /nfs/dbraw/zinc/19/89/55/180198955.db2.gz RJLPGBGEUXZXKP-LBPRGKRZSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266190671 180201343 /nfs/dbraw/zinc/20/13/43/180201343.db2.gz BTMHVRGPQNQWKH-RYUDHWBXSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266190671 180201345 /nfs/dbraw/zinc/20/13/45/180201345.db2.gz BTMHVRGPQNQWKH-RYUDHWBXSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000336706989 180250778 /nfs/dbraw/zinc/25/07/78/180250778.db2.gz KFLMRUVRZHLTHC-AWEZNQCLSA-N 2 2 244.342 2.357 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000336706989 180250781 /nfs/dbraw/zinc/25/07/81/180250781.db2.gz KFLMRUVRZHLTHC-AWEZNQCLSA-N 2 2 244.342 2.357 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000336554998 180256290 /nfs/dbraw/zinc/25/62/90/180256290.db2.gz ZAHXYRCKKVRYHE-QWRGUYRKSA-N 2 2 239.388 2.017 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000252218698 538086568 /nfs/dbraw/zinc/08/65/68/538086568.db2.gz ZUGDNDALWTXABJ-UHXUPSOCSA-N 2 2 246.354 2.054 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2csc(C)n2)CC1 ZINC000037977223 350297205 /nfs/dbraw/zinc/29/72/05/350297205.db2.gz YAFAWMJLKXZGOA-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000037977194 350297248 /nfs/dbraw/zinc/29/72/48/350297248.db2.gz WQMXYRRCDKMMIR-UHFFFAOYSA-N 2 2 224.373 2.322 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427870914 191098804 /nfs/dbraw/zinc/09/88/04/191098804.db2.gz HCQSMJHCZZAHTE-JHJVBQTASA-N 2 2 233.359 2.366 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000035275424 358456305 /nfs/dbraw/zinc/45/63/05/358456305.db2.gz XGXCCHZBEVYPTA-AGIUHOORSA-N 2 2 221.348 2.440 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)C(C)C ZINC000163398886 350518065 /nfs/dbraw/zinc/51/80/65/350518065.db2.gz HZGMNTUWXQUORK-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)C(C)C ZINC000163398886 350518066 /nfs/dbraw/zinc/51/80/66/350518066.db2.gz HZGMNTUWXQUORK-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000163418832 350520574 /nfs/dbraw/zinc/52/05/74/350520574.db2.gz JZINZQZRHDMTCI-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000163418832 350520576 /nfs/dbraw/zinc/52/05/76/350520576.db2.gz JZINZQZRHDMTCI-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000163418954 350521147 /nfs/dbraw/zinc/52/11/47/350521147.db2.gz JZINZQZRHDMTCI-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000163418954 350521149 /nfs/dbraw/zinc/52/11/49/350521149.db2.gz JZINZQZRHDMTCI-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000397540840 350909660 /nfs/dbraw/zinc/90/96/60/350909660.db2.gz VUGICCXEFQFYQW-ZFWWWQNUSA-N 2 2 248.370 2.480 20 0 BEADLP C/C=C\C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000623739219 350884004 /nfs/dbraw/zinc/88/40/04/350884004.db2.gz MVRLHLKNDGCXJO-ARJAWSKDSA-N 2 2 215.300 2.308 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336699839 351043907 /nfs/dbraw/zinc/04/39/07/351043907.db2.gz OZTBTUAXFIPDEU-UMSGYPCISA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336699839 351043910 /nfs/dbraw/zinc/04/39/10/351043910.db2.gz OZTBTUAXFIPDEU-UMSGYPCISA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000628350901 351312643 /nfs/dbraw/zinc/31/26/43/351312643.db2.gz RALJURCAOHBUMR-PWSUYJOCSA-N 2 2 246.345 2.494 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CC(F)(F)C2)C1 ZINC000628350901 351312645 /nfs/dbraw/zinc/31/26/45/351312645.db2.gz RALJURCAOHBUMR-PWSUYJOCSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987303 351404082 /nfs/dbraw/zinc/40/40/82/351404082.db2.gz YOHBDVNKHVUXCV-TZMCWYRMSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000306987303 351404087 /nfs/dbraw/zinc/40/40/87/351404087.db2.gz YOHBDVNKHVUXCV-TZMCWYRMSA-N 2 2 218.344 2.259 20 0 BEADLP c1ccc(NCCC[NH2+]C[C@H]2CCC=CO2)[nH+]c1 ZINC000194565592 187490042 /nfs/dbraw/zinc/49/00/42/187490042.db2.gz ALMHNXRUVWJOCE-CYBMUJFWSA-N 2 2 247.342 2.166 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccoc1 ZINC000577720063 366042806 /nfs/dbraw/zinc/04/28/06/366042806.db2.gz QADOTVPYUZRROD-ZYHUDNBSSA-N 2 2 210.321 2.304 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccoc1 ZINC000577720062 366042942 /nfs/dbraw/zinc/04/29/42/366042942.db2.gz QADOTVPYUZRROD-PWSUYJOCSA-N 2 2 210.321 2.304 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000577822540 366070965 /nfs/dbraw/zinc/07/09/65/366070965.db2.gz YQKBMHDXPGHCMO-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000577822540 366070970 /nfs/dbraw/zinc/07/09/70/366070970.db2.gz YQKBMHDXPGHCMO-TZMCWYRMSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC1 ZINC000577822537 366071747 /nfs/dbraw/zinc/07/17/47/366071747.db2.gz YQKBMHDXPGHCMO-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC1 ZINC000577822537 366071752 /nfs/dbraw/zinc/07/17/52/366071752.db2.gz YQKBMHDXPGHCMO-GXTWGEPZSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccc(C)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414792901 351772107 /nfs/dbraw/zinc/77/21/07/351772107.db2.gz JHFMWMPABCMXAO-ZDUSSCGKSA-N 2 2 236.359 2.077 20 0 BEADLP c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)sn1 ZINC000637954238 351830451 /nfs/dbraw/zinc/83/04/51/351830451.db2.gz UOBJGWCPRBDZDH-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)sn1 ZINC000637954238 351830454 /nfs/dbraw/zinc/83/04/54/351830454.db2.gz UOBJGWCPRBDZDH-SNVBAGLBSA-N 2 2 248.355 2.246 20 0 BEADLP C(C1CCC1)[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000083842192 351957674 /nfs/dbraw/zinc/95/76/74/351957674.db2.gz XTICDNVXWJKQQS-UHFFFAOYSA-N 2 2 222.376 2.395 20 0 BEADLP C(C1CCC1)[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000083842192 351957676 /nfs/dbraw/zinc/95/76/76/351957676.db2.gz XTICDNVXWJKQQS-UHFFFAOYSA-N 2 2 222.376 2.395 20 0 BEADLP c1[nH]cc(C2CC[NH+](CCC[C@H]3CCO3)CC2)[nH+]1 ZINC000638086494 351963852 /nfs/dbraw/zinc/96/38/52/351963852.db2.gz SEUJNINWMYOUCV-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP CCc1nc(NCC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000286168010 352078954 /nfs/dbraw/zinc/07/89/54/352078954.db2.gz PHGXILPRAGAKGY-UHFFFAOYSA-N 2 2 248.374 2.245 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC[C@H]1CCO1 ZINC000638355941 352168436 /nfs/dbraw/zinc/16/84/36/352168436.db2.gz SUYNBLJYWKTVRA-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)[NH+]1CCCC1 ZINC000638354885 352169331 /nfs/dbraw/zinc/16/93/31/352169331.db2.gz XDVWVTDECNMPOC-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@@H+]1CCCC[C@@H]1C)OC ZINC000638363182 352173123 /nfs/dbraw/zinc/17/31/23/352173123.db2.gz KRDBYGGTBJSZKT-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[C@](C)(C[NH2+]CC[N@H+]1CCCC[C@@H]1C)OC ZINC000638363182 352173125 /nfs/dbraw/zinc/17/31/25/352173125.db2.gz KRDBYGGTBJSZKT-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP c1cn(CCCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000638404652 352211397 /nfs/dbraw/zinc/21/13/97/352211397.db2.gz IOIAUKTZRWXGMQ-BTTYYORXSA-N 2 2 233.359 2.299 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000638408240 352213686 /nfs/dbraw/zinc/21/36/86/352213686.db2.gz FSQYRIQDVHPJGW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C1 ZINC000638408240 352213689 /nfs/dbraw/zinc/21/36/89/352213689.db2.gz FSQYRIQDVHPJGW-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340478783 352383506 /nfs/dbraw/zinc/38/35/06/352383506.db2.gz MGNSCMZGLSBDDD-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340478783 352383508 /nfs/dbraw/zinc/38/35/08/352383508.db2.gz MGNSCMZGLSBDDD-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC000638708958 352545045 /nfs/dbraw/zinc/54/50/45/352545045.db2.gz PGPQCHGZGGSKTI-JQWIXIFHSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@H+]1C ZINC000638708958 352545048 /nfs/dbraw/zinc/54/50/48/352545048.db2.gz PGPQCHGZGGSKTI-JQWIXIFHSA-N 2 2 249.358 2.124 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044539921 352654338 /nfs/dbraw/zinc/65/43/38/352654338.db2.gz QJEWFETVQRAPAL-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP CCOc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044539921 352654343 /nfs/dbraw/zinc/65/43/43/352654343.db2.gz QJEWFETVQRAPAL-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000043327140 352637209 /nfs/dbraw/zinc/63/72/09/352637209.db2.gz IPVBKCBQTMOUBP-GHMZBOCLSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000043326492 352637260 /nfs/dbraw/zinc/63/72/60/352637260.db2.gz YLZSLHZYOODJCO-DZGCQCFKSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000334190610 352781255 /nfs/dbraw/zinc/78/12/55/352781255.db2.gz MYMWQEBRDPRDQC-CQSZACIVSA-N 2 2 241.338 2.296 20 0 BEADLP c1[nH]cc(C2CC[NH+](Cc3cccnc3)CC2)[nH+]1 ZINC000334193239 352785423 /nfs/dbraw/zinc/78/54/23/352785423.db2.gz JAWHZDMQTAUDGH-UHFFFAOYSA-N 2 2 242.326 2.184 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000334328381 352964975 /nfs/dbraw/zinc/96/49/75/352964975.db2.gz MUQXJGMFOBMGCQ-NEPJUHHUSA-N 2 2 231.343 2.120 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1nc(C)cs1 ZINC000086814574 535194266 /nfs/dbraw/zinc/19/42/66/535194266.db2.gz PTFKNSHJVXFHSU-UHFFFAOYSA-N 2 2 227.377 2.059 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000164514615 353067114 /nfs/dbraw/zinc/06/71/14/353067114.db2.gz GABRGOVYFONDMY-UTUOFQBUSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000164514615 353067119 /nfs/dbraw/zinc/06/71/19/353067119.db2.gz GABRGOVYFONDMY-UTUOFQBUSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)([NH3+])C[NH+]1CCC(c2nccs2)CC1 ZINC000261827368 535196973 /nfs/dbraw/zinc/19/69/73/535196973.db2.gz ITLQUZJHKJVTFA-UHFFFAOYSA-N 2 2 239.388 2.060 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000638866286 353040594 /nfs/dbraw/zinc/04/05/94/353040594.db2.gz QSNOEYFOXYLDHG-CYBMUJFWSA-N 2 2 220.360 2.077 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051627265 353178619 /nfs/dbraw/zinc/17/86/19/353178619.db2.gz MTSQQNLQGDYCFG-UONOGXRCSA-N 2 2 218.344 2.479 20 0 BEADLP COc1cccc2c(NCCCC[NH3+])cc[nH+]c12 ZINC000420228127 192179184 /nfs/dbraw/zinc/17/91/84/192179184.db2.gz DUNBQWCYNUMHMR-UHFFFAOYSA-N 2 2 245.326 2.394 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CS1 ZINC000277288756 188094634 /nfs/dbraw/zinc/09/46/34/188094634.db2.gz RAQHADHIWTZBGL-RYUDHWBXSA-N 2 2 239.388 2.003 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000042396461 188119647 /nfs/dbraw/zinc/11/96/47/188119647.db2.gz KWWLDWBWWAHNIS-CYBMUJFWSA-N 2 2 238.762 2.176 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000042396461 188119649 /nfs/dbraw/zinc/11/96/49/188119649.db2.gz KWWLDWBWWAHNIS-CYBMUJFWSA-N 2 2 238.762 2.176 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654161 188130863 /nfs/dbraw/zinc/13/08/63/188130863.db2.gz DQBWPIIVUXNQCT-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654161 188130865 /nfs/dbraw/zinc/13/08/65/188130865.db2.gz DQBWPIIVUXNQCT-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336665098 188163170 /nfs/dbraw/zinc/16/31/70/188163170.db2.gz LLBKLRIBLXVBHM-NEPJUHHUSA-N 2 2 221.348 2.222 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000053344154 188164525 /nfs/dbraw/zinc/16/45/25/188164525.db2.gz NSKYPLHMASZISY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000053344154 188164526 /nfs/dbraw/zinc/16/45/26/188164526.db2.gz NSKYPLHMASZISY-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC000266229819 188195710 /nfs/dbraw/zinc/19/57/10/188195710.db2.gz JKLLHTDESHODHC-ZDUSSCGKSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1nc(N(C)CC[C@@H]2CCCC[N@H+]2C)cc[nH+]1 ZINC000266229819 188195711 /nfs/dbraw/zinc/19/57/11/188195711.db2.gz JKLLHTDESHODHC-ZDUSSCGKSA-N 2 2 248.374 2.096 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(O)c1 ZINC000193858999 188175350 /nfs/dbraw/zinc/17/53/50/188175350.db2.gz SHSDDRVKLKPUNQ-DGCLKSJQSA-N 2 2 234.343 2.137 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(O)c1 ZINC000193858999 188175352 /nfs/dbraw/zinc/17/53/52/188175352.db2.gz SHSDDRVKLKPUNQ-DGCLKSJQSA-N 2 2 234.343 2.137 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000335865997 188188882 /nfs/dbraw/zinc/18/88/82/188188882.db2.gz FLFGXRCFZUCKBK-JTQLQIEISA-N 2 2 239.388 2.060 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000335865997 188188883 /nfs/dbraw/zinc/18/88/83/188188883.db2.gz FLFGXRCFZUCKBK-JTQLQIEISA-N 2 2 239.388 2.060 20 0 BEADLP CC(C)[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000290672642 188211616 /nfs/dbraw/zinc/21/16/16/188211616.db2.gz KPXIAVJXZWEJPA-LLVKDONJSA-N 2 2 248.374 2.495 20 0 BEADLP CC(C)[N@H+](C)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000290672642 188211618 /nfs/dbraw/zinc/21/16/18/188211618.db2.gz KPXIAVJXZWEJPA-LLVKDONJSA-N 2 2 248.374 2.495 20 0 BEADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCCSC1 ZINC000061589003 188222668 /nfs/dbraw/zinc/22/26/68/188222668.db2.gz YDTPZNBQTYQZKQ-ZDUSSCGKSA-N 2 2 242.432 2.348 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@H]1[NH3+] ZINC000251930465 353293905 /nfs/dbraw/zinc/29/39/05/353293905.db2.gz YRKBCTLTJINTSN-JOYOIKCWSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@H]1[NH3+] ZINC000251930465 353293908 /nfs/dbraw/zinc/29/39/08/353293908.db2.gz YRKBCTLTJINTSN-JOYOIKCWSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000165304744 353294929 /nfs/dbraw/zinc/29/49/29/353294929.db2.gz URAXCEDBBODKOL-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000165304744 353294931 /nfs/dbraw/zinc/29/49/31/353294931.db2.gz URAXCEDBBODKOL-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C)nc1 ZINC000349366594 538115057 /nfs/dbraw/zinc/11/50/57/538115057.db2.gz JUKHEOTVJRHVIY-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)nc1 ZINC000349366594 538115058 /nfs/dbraw/zinc/11/50/58/538115058.db2.gz JUKHEOTVJRHVIY-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cncc(Cl)c1 ZINC000307976560 353373753 /nfs/dbraw/zinc/37/37/53/353373753.db2.gz LQGVFQSZJCFLOU-GFCCVEGCSA-N 2 2 241.766 2.198 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2ccoc2C)CC1 ZINC000336775815 353452438 /nfs/dbraw/zinc/45/24/38/353452438.db2.gz CTQWKFXYTLVMMY-UHFFFAOYSA-N 2 2 222.332 2.162 20 0 BEADLP Cc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000343317508 353659182 /nfs/dbraw/zinc/65/91/82/353659182.db2.gz ZSPHBNPUEXYHRN-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000343317508 353659185 /nfs/dbraw/zinc/65/91/85/353659185.db2.gz ZSPHBNPUEXYHRN-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP C[C@H]1C[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343318843 353672106 /nfs/dbraw/zinc/67/21/06/353672106.db2.gz YVQMANVBQGBLSP-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H]1C[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343318843 353672107 /nfs/dbraw/zinc/67/21/07/353672107.db2.gz YVQMANVBQGBLSP-RYUDHWBXSA-N 2 2 207.321 2.004 20 0 BEADLP CC(C)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343324788 353707417 /nfs/dbraw/zinc/70/74/17/353707417.db2.gz XRCDXRAIRWNYML-CYBMUJFWSA-N 2 2 221.348 2.251 20 0 BEADLP CC(C)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343324788 353707420 /nfs/dbraw/zinc/70/74/20/353707420.db2.gz XRCDXRAIRWNYML-CYBMUJFWSA-N 2 2 221.348 2.251 20 0 BEADLP Cc1cc(N2CC[C@](C)(C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000232762765 353768886 /nfs/dbraw/zinc/76/88/86/353768886.db2.gz QQUFOJIZWDRATO-CQSZACIVSA-N 2 2 248.374 2.084 20 0 BEADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000334520530 353884438 /nfs/dbraw/zinc/88/44/38/353884438.db2.gz ZTUFVGXSTJGURJ-STQMWFEESA-N 2 2 235.375 2.331 20 0 BEADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000334520530 353884439 /nfs/dbraw/zinc/88/44/39/353884439.db2.gz ZTUFVGXSTJGURJ-STQMWFEESA-N 2 2 235.375 2.331 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000343576176 353938387 /nfs/dbraw/zinc/93/83/87/353938387.db2.gz SBHHXDZXLLNUHT-HIFRSBDPSA-N 2 2 232.371 2.343 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000343576176 353938389 /nfs/dbraw/zinc/93/83/89/353938389.db2.gz SBHHXDZXLLNUHT-HIFRSBDPSA-N 2 2 232.371 2.343 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000343696372 353966547 /nfs/dbraw/zinc/96/65/47/353966547.db2.gz BJHZMDKHFMQKIH-DOMZBBRYSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000343696372 353966549 /nfs/dbraw/zinc/96/65/49/353966549.db2.gz BJHZMDKHFMQKIH-DOMZBBRYSA-N 2 2 248.370 2.125 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)s1 ZINC000224740596 363281539 /nfs/dbraw/zinc/28/15/39/363281539.db2.gz IRQLDCKLKDUNCN-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)s1 ZINC000224740596 363281541 /nfs/dbraw/zinc/28/15/41/363281541.db2.gz IRQLDCKLKDUNCN-LLVKDONJSA-N 2 2 238.400 2.494 20 0 BEADLP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)no1 ZINC000334555340 354000096 /nfs/dbraw/zinc/00/00/96/354000096.db2.gz DIGVJKSQYACCDP-QXMXGUDHSA-N 2 2 249.358 2.088 20 0 BEADLP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC000334555340 354000100 /nfs/dbraw/zinc/00/01/00/354000100.db2.gz DIGVJKSQYACCDP-QXMXGUDHSA-N 2 2 249.358 2.088 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639165979 354002818 /nfs/dbraw/zinc/00/28/18/354002818.db2.gz VHDVOHGJKDLVNL-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639165979 354002820 /nfs/dbraw/zinc/00/28/20/354002820.db2.gz VHDVOHGJKDLVNL-XQQFMLRXSA-N 2 2 242.432 2.344 20 0 BEADLP CO[C@H](C)CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000343951676 354070317 /nfs/dbraw/zinc/07/03/17/354070317.db2.gz NLQBIYDZTKNRHF-GFCCVEGCSA-N 2 2 247.342 2.157 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537308 324329578 /nfs/dbraw/zinc/32/95/78/324329578.db2.gz VHPTXERDKSEGOZ-ZYHUDNBSSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529537308 324329584 /nfs/dbraw/zinc/32/95/84/324329584.db2.gz VHPTXERDKSEGOZ-ZYHUDNBSSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)CC1(C)C ZINC000334562186 354117482 /nfs/dbraw/zinc/11/74/82/354117482.db2.gz JTFDKXUDVKLGES-GFCCVEGCSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC1(C)C ZINC000334562186 354117483 /nfs/dbraw/zinc/11/74/83/354117483.db2.gz JTFDKXUDVKLGES-GFCCVEGCSA-N 2 2 235.375 2.331 20 0 BEADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643303 363336098 /nfs/dbraw/zinc/33/60/98/363336098.db2.gz CSYKTSWAUMOCTA-UHFFFAOYSA-N 2 2 227.311 2.467 20 0 BEADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643303 363336104 /nfs/dbraw/zinc/33/61/04/363336104.db2.gz CSYKTSWAUMOCTA-UHFFFAOYSA-N 2 2 227.311 2.467 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742655 202018231 /nfs/dbraw/zinc/01/82/31/202018231.db2.gz PXZVHPMBQNLOLC-WCUVEOEZSA-N 2 2 234.387 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742655 202018235 /nfs/dbraw/zinc/01/82/35/202018235.db2.gz PXZVHPMBQNLOLC-WCUVEOEZSA-N 2 2 234.387 2.105 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000449740493 202015553 /nfs/dbraw/zinc/01/55/53/202015553.db2.gz GTDAFAFCFYNBTC-NHULGOKLSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000449740493 202015556 /nfs/dbraw/zinc/01/55/56/202015556.db2.gz GTDAFAFCFYNBTC-NHULGOKLSA-N 2 2 234.387 2.247 20 0 BEADLP CSc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000334585408 354208756 /nfs/dbraw/zinc/20/87/56/354208756.db2.gz FZOWOOWGDLRKMH-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000334585408 354208758 /nfs/dbraw/zinc/20/87/58/354208758.db2.gz FZOWOOWGDLRKMH-LBPRGKRZSA-N 2 2 236.384 2.332 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000334586026 354209931 /nfs/dbraw/zinc/20/99/31/354209931.db2.gz UJSJJAUDPSXVFH-KBPBESRZSA-N 2 2 247.386 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000334586026 354209934 /nfs/dbraw/zinc/20/99/34/354209934.db2.gz UJSJJAUDPSXVFH-KBPBESRZSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000344346094 354236865 /nfs/dbraw/zinc/23/68/65/354236865.db2.gz GDAKOBYZJQGANE-IVMMDQJWSA-N 2 2 244.382 2.256 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000344346094 354236869 /nfs/dbraw/zinc/23/68/69/354236869.db2.gz GDAKOBYZJQGANE-IVMMDQJWSA-N 2 2 244.382 2.256 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000334625524 354365882 /nfs/dbraw/zinc/36/58/82/354365882.db2.gz UIMIGEDSXPJUBM-NSHDSACASA-N 2 2 232.352 2.434 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000334625524 354365884 /nfs/dbraw/zinc/36/58/84/354365884.db2.gz UIMIGEDSXPJUBM-NSHDSACASA-N 2 2 232.352 2.434 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CC1(C)C ZINC000623634442 366193894 /nfs/dbraw/zinc/19/38/94/366193894.db2.gz CDTXPPJKPPBZSU-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CC1(C)C ZINC000623634442 366193899 /nfs/dbraw/zinc/19/38/99/366193899.db2.gz CDTXPPJKPPBZSU-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000334654500 354448044 /nfs/dbraw/zinc/44/80/44/354448044.db2.gz VVJRHSQAPKLWBG-WCQYABFASA-N 2 2 208.349 2.027 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000334654500 354448045 /nfs/dbraw/zinc/44/80/45/354448045.db2.gz VVJRHSQAPKLWBG-WCQYABFASA-N 2 2 208.349 2.027 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702086 354495132 /nfs/dbraw/zinc/49/51/32/354495132.db2.gz ILAOVNQNCUQJSQ-YYJSSNLHSA-N 2 2 246.345 2.350 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000334702086 354495135 /nfs/dbraw/zinc/49/51/35/354495135.db2.gz ILAOVNQNCUQJSQ-YYJSSNLHSA-N 2 2 246.345 2.350 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000334847209 354594568 /nfs/dbraw/zinc/59/45/68/354594568.db2.gz DYFYEJSKZVTCEY-GFCCVEGCSA-N 2 2 224.373 2.207 20 0 BEADLP CCC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000578084151 366233070 /nfs/dbraw/zinc/23/30/70/366233070.db2.gz QYGBMFZIGIYQHA-UHFFFAOYSA-N 2 2 209.337 2.254 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000232561029 363375080 /nfs/dbraw/zinc/37/50/80/363375080.db2.gz PIMVGUUDQFAETB-UHFFFAOYSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)C1CC([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000232561029 363375086 /nfs/dbraw/zinc/37/50/86/363375086.db2.gz PIMVGUUDQFAETB-UHFFFAOYSA-N 2 2 212.381 2.351 20 0 BEADLP CSC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000335134059 354782213 /nfs/dbraw/zinc/78/22/13/354782213.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 2 240.416 2.051 20 0 BEADLP CSC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000335134059 354782215 /nfs/dbraw/zinc/78/22/15/354782215.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 2 240.416 2.051 20 0 BEADLP CSC1(C[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000335134059 354782218 /nfs/dbraw/zinc/78/22/18/354782218.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 2 240.416 2.051 20 0 BEADLP CSC1(C[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000335134059 354782220 /nfs/dbraw/zinc/78/22/20/354782220.db2.gz FMNCXDOJBFFWSL-NEPJUHHUSA-N 2 2 240.416 2.051 20 0 BEADLP CCC1(C)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000346306604 354891225 /nfs/dbraw/zinc/89/12/25/354891225.db2.gz JLKOYQGNVNTFRW-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000235460658 363444653 /nfs/dbraw/zinc/44/46/53/363444653.db2.gz OJXIKAGQLQROLJ-MWLCHTKSSA-N 2 2 222.357 2.160 20 0 BEADLP COC1CCC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000346329419 354898207 /nfs/dbraw/zinc/89/82/07/354898207.db2.gz MQQIDADIKLUGFL-GFJIZPEISA-N 2 2 240.391 2.016 20 0 BEADLP COC1CCC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000346329419 354898208 /nfs/dbraw/zinc/89/82/08/354898208.db2.gz MQQIDADIKLUGFL-GFJIZPEISA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346566063 354970596 /nfs/dbraw/zinc/97/05/96/354970596.db2.gz RNAOYIOAIHMMGE-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000346566063 354970600 /nfs/dbraw/zinc/97/06/00/354970600.db2.gz RNAOYIOAIHMMGE-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[N@@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000346630507 354998197 /nfs/dbraw/zinc/99/81/97/354998197.db2.gz CLDZJTRIGSSGCV-HIFRSBDPSA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@H](C[N@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000346630507 354998199 /nfs/dbraw/zinc/99/81/99/354998199.db2.gz CLDZJTRIGSSGCV-HIFRSBDPSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@@H+]1CCn1cc[nH+]c1 ZINC000335191651 355024815 /nfs/dbraw/zinc/02/48/15/355024815.db2.gz RLLBLTAZLIPIFC-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@H+]1CCn1cc[nH+]c1 ZINC000335191651 355024818 /nfs/dbraw/zinc/02/48/18/355024818.db2.gz RLLBLTAZLIPIFC-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP Cc1nc(C)c([C@@H](C)[N@H+](C)CC(C)(C)[NH3+])s1 ZINC000346821549 355124782 /nfs/dbraw/zinc/12/47/82/355124782.db2.gz IOLVGKLVDDBMEK-SECBINFHSA-N 2 2 241.404 2.490 20 0 BEADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(C)(C)[NH3+])s1 ZINC000346821549 355124783 /nfs/dbraw/zinc/12/47/83/355124783.db2.gz IOLVGKLVDDBMEK-SECBINFHSA-N 2 2 241.404 2.490 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000335187397 355086613 /nfs/dbraw/zinc/08/66/13/355086613.db2.gz DVVVGAZBNOUQPF-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC(C)(C)C[N@H+]1CCc1c[nH+]cn1C ZINC000335187397 355086614 /nfs/dbraw/zinc/08/66/14/355086614.db2.gz DVVVGAZBNOUQPF-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP CCCCC[N@H+](CCCOC)CC(C)(C)[NH3+] ZINC000346960721 355169571 /nfs/dbraw/zinc/16/95/71/355169571.db2.gz FPYYXKXMAIJXFV-UHFFFAOYSA-N 2 2 230.396 2.252 20 0 BEADLP CCCCC[N@@H+](CCCOC)CC(C)(C)[NH3+] ZINC000346960721 355169573 /nfs/dbraw/zinc/16/95/73/355169573.db2.gz FPYYXKXMAIJXFV-UHFFFAOYSA-N 2 2 230.396 2.252 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC(C)(C)C1 ZINC000347608653 355234131 /nfs/dbraw/zinc/23/41/31/355234131.db2.gz JIZAMGIIYABTIW-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC(C)(C)C1 ZINC000347608653 355234133 /nfs/dbraw/zinc/23/41/33/355234133.db2.gz JIZAMGIIYABTIW-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000347675360 355262294 /nfs/dbraw/zinc/26/22/94/355262294.db2.gz PAYRJEXGAWPXFL-UHFFFAOYSA-N 2 2 241.404 2.435 20 0 BEADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000347675360 355262296 /nfs/dbraw/zinc/26/22/96/355262296.db2.gz PAYRJEXGAWPXFL-UHFFFAOYSA-N 2 2 241.404 2.435 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000414163387 191463039 /nfs/dbraw/zinc/46/30/39/191463039.db2.gz NCMFDKVBQGKNBY-SDDRHHMPSA-N 2 2 212.381 2.351 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC(C)(C)CC1 ZINC000335740453 355390158 /nfs/dbraw/zinc/39/01/58/355390158.db2.gz SLLSTYILPQSSHK-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCCC(C)(C)CC1 ZINC000335740453 355390159 /nfs/dbraw/zinc/39/01/59/355390159.db2.gz SLLSTYILPQSSHK-UHFFFAOYSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251712202 491079339 /nfs/dbraw/zinc/07/93/39/491079339.db2.gz BRJOPNJWRXVFQP-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251712202 491079342 /nfs/dbraw/zinc/07/93/42/491079342.db2.gz BRJOPNJWRXVFQP-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccns1 ZINC000639290135 355446996 /nfs/dbraw/zinc/44/69/96/355446996.db2.gz QWRHDTHRYNNNPH-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccns1 ZINC000639290135 355446999 /nfs/dbraw/zinc/44/69/99/355446999.db2.gz QWRHDTHRYNNNPH-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC(C)Cc1ncc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000415012985 191649811 /nfs/dbraw/zinc/64/98/11/191649811.db2.gz UCYIWPUTDLNBAZ-VHSXEESVSA-N 2 2 241.404 2.167 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000335858668 355603886 /nfs/dbraw/zinc/60/38/86/355603886.db2.gz RLHOULPCXOUGLR-ZDUSSCGKSA-N 2 2 245.301 2.127 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000639302113 355645153 /nfs/dbraw/zinc/64/51/53/355645153.db2.gz CELCCVYDWWCGGZ-WOPDTQHZSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000639302113 355645158 /nfs/dbraw/zinc/64/51/58/355645158.db2.gz CELCCVYDWWCGGZ-WOPDTQHZSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000639302111 355645259 /nfs/dbraw/zinc/64/52/59/355645259.db2.gz CELCCVYDWWCGGZ-UTUOFQBUSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000639302111 355645263 /nfs/dbraw/zinc/64/52/63/355645263.db2.gz CELCCVYDWWCGGZ-UTUOFQBUSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000399131352 355759325 /nfs/dbraw/zinc/75/93/25/355759325.db2.gz XKMCGMNPTGPHCU-XUJVJEKNSA-N 2 2 243.354 2.349 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000399131348 355759424 /nfs/dbraw/zinc/75/94/24/355759424.db2.gz XKMCGMNPTGPHCU-LALPHHSUSA-N 2 2 243.354 2.349 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc2cccnc12 ZINC000336052874 134065327 /nfs/dbraw/zinc/06/53/27/134065327.db2.gz DFXXNKUMALQKSW-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C2)cc2cccnc12 ZINC000336052874 134065328 /nfs/dbraw/zinc/06/53/28/134065328.db2.gz DFXXNKUMALQKSW-CQSZACIVSA-N 2 2 241.338 2.076 20 0 BEADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccn2)CC1 ZINC000639379033 355915006 /nfs/dbraw/zinc/91/50/06/355915006.db2.gz LIQMVMHMCKLQRC-UHFFFAOYSA-N 2 2 247.386 2.388 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(O)c1 ZINC000530219727 355901200 /nfs/dbraw/zinc/90/12/00/355901200.db2.gz MVTLXEKSFVAANX-BXUZGUMPSA-N 2 2 246.354 2.327 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC000389280457 355947602 /nfs/dbraw/zinc/94/76/02/355947602.db2.gz UMAYNVDOXRVVLL-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC000389280457 355947605 /nfs/dbraw/zinc/94/76/05/355947605.db2.gz UMAYNVDOXRVVLL-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP Cc1[nH]c(Cn2c[nH+]c3c2CCCC3)[nH+]c1C ZINC000628371984 356033793 /nfs/dbraw/zinc/03/37/93/356033793.db2.gz RQONYEJOQWRVFV-UHFFFAOYSA-N 2 2 230.315 2.150 20 0 BEADLP Cc1cc(C)c(C[N@@H+](CCO)C(C)C)c(C)[nH+]1 ZINC000639457809 356243124 /nfs/dbraw/zinc/24/31/24/356243124.db2.gz APYQEDUFZJBJGD-UHFFFAOYSA-N 2 2 236.359 2.210 20 0 BEADLP Cc1cc(C)c(C[N@H+](CCO)C(C)C)c(C)[nH+]1 ZINC000639457809 356243129 /nfs/dbraw/zinc/24/31/29/356243129.db2.gz APYQEDUFZJBJGD-UHFFFAOYSA-N 2 2 236.359 2.210 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000420294704 192203643 /nfs/dbraw/zinc/20/36/43/192203643.db2.gz UJEAFSJKYCMAFL-CYBMUJFWSA-N 2 2 238.400 2.365 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000420294704 192203645 /nfs/dbraw/zinc/20/36/45/192203645.db2.gz UJEAFSJKYCMAFL-CYBMUJFWSA-N 2 2 238.400 2.365 20 0 BEADLP CCc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000420282120 192199723 /nfs/dbraw/zinc/19/97/23/192199723.db2.gz ARGRWNGVLJFBFH-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP CCc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000420282120 192199724 /nfs/dbraw/zinc/19/97/24/192199724.db2.gz ARGRWNGVLJFBFH-LLVKDONJSA-N 2 2 206.333 2.028 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290931 192200946 /nfs/dbraw/zinc/20/09/46/192200946.db2.gz MQCWOTXBMMLLEV-ZYHUDNBSSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000420290931 192200948 /nfs/dbraw/zinc/20/09/48/192200948.db2.gz MQCWOTXBMMLLEV-ZYHUDNBSSA-N 2 2 249.358 2.111 20 0 BEADLP CO[C@H]1CC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639510865 356344464 /nfs/dbraw/zinc/34/44/64/356344464.db2.gz JYOCACCRAMDTNB-ZDUSSCGKSA-N 2 2 234.343 2.228 20 0 BEADLP CO[C@H]1CC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639510865 356344470 /nfs/dbraw/zinc/34/44/70/356344470.db2.gz JYOCACCRAMDTNB-ZDUSSCGKSA-N 2 2 234.343 2.228 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOC1CCCCCC1 ZINC000420351314 192217326 /nfs/dbraw/zinc/21/73/26/192217326.db2.gz JTWKZWPTJCYMPX-JSGCOSHPSA-N 2 2 240.391 2.147 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOC1CCCCCC1 ZINC000420351314 192217328 /nfs/dbraw/zinc/21/73/28/192217328.db2.gz JTWKZWPTJCYMPX-JSGCOSHPSA-N 2 2 240.391 2.147 20 0 BEADLP CCC(F)(F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000639518511 356361927 /nfs/dbraw/zinc/36/19/27/356361927.db2.gz IVRPDDQOJILVTF-RYUDHWBXSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000639518511 356361930 /nfs/dbraw/zinc/36/19/30/356361930.db2.gz IVRPDDQOJILVTF-RYUDHWBXSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000639518511 356361934 /nfs/dbraw/zinc/36/19/34/356361934.db2.gz IVRPDDQOJILVTF-RYUDHWBXSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000639518511 356361938 /nfs/dbraw/zinc/36/19/38/356361938.db2.gz IVRPDDQOJILVTF-RYUDHWBXSA-N 2 2 246.345 2.448 20 0 BEADLP FC(F)C1([NH2+]CCn2cc[nH+]c2)CCCCC1 ZINC000352195218 134098794 /nfs/dbraw/zinc/09/87/94/134098794.db2.gz OZXDZAFHYPEBBV-UHFFFAOYSA-N 2 2 243.301 2.441 20 0 BEADLP C[C@H]1OCC[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000639538846 356391629 /nfs/dbraw/zinc/39/16/29/356391629.db2.gz WHNZIBXWGNAXQX-DGCLKSJQSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000639538847 356391810 /nfs/dbraw/zinc/39/18/10/356391810.db2.gz WHNZIBXWGNAXQX-WCQYABFASA-N 2 2 249.358 2.014 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420362762 192223000 /nfs/dbraw/zinc/22/30/00/192223000.db2.gz ITVZZNNPWZQZNU-LALPHHSUSA-N 2 2 248.370 2.171 20 0 BEADLP COc1cccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420362768 192224807 /nfs/dbraw/zinc/22/48/07/192224807.db2.gz ITVZZNNPWZQZNU-YWPYICTPSA-N 2 2 248.370 2.171 20 0 BEADLP CCC[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1F ZINC000420409249 192239831 /nfs/dbraw/zinc/23/98/31/192239831.db2.gz QJOQKKWRQVHOKT-LBPRGKRZSA-N 2 2 228.286 2.354 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(C)n1 ZINC000420374417 192232186 /nfs/dbraw/zinc/23/21/86/192232186.db2.gz RYAHVZIKBMHIOP-VZJVUDMVSA-N 2 2 247.386 2.175 20 0 BEADLP Cc1cc(C)c(C[N@H+](CCO)C2CCC2)c(C)[nH+]1 ZINC000639604380 356524893 /nfs/dbraw/zinc/52/48/93/356524893.db2.gz OSYQWOFULCYKAW-UHFFFAOYSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@@H+](CCO)C2CCC2)c(C)[nH+]1 ZINC000639604380 356524897 /nfs/dbraw/zinc/52/48/97/356524897.db2.gz OSYQWOFULCYKAW-UHFFFAOYSA-N 2 2 248.370 2.354 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)[C@H](C)O1 ZINC000449782245 202035271 /nfs/dbraw/zinc/03/52/71/202035271.db2.gz KIXLVJUHTZRUQP-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)[C@H](C)O1 ZINC000449782245 202035274 /nfs/dbraw/zinc/03/52/74/202035274.db2.gz KIXLVJUHTZRUQP-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@@H](C)C[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639644339 356557258 /nfs/dbraw/zinc/55/72/58/356557258.db2.gz PYFSAWYOSSYTOG-LBPRGKRZSA-N 2 2 236.359 2.474 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000309402346 491096625 /nfs/dbraw/zinc/09/66/25/491096625.db2.gz WNSJNETWQICULV-UBHSHLNASA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000309402346 491096626 /nfs/dbraw/zinc/09/66/26/491096626.db2.gz WNSJNETWQICULV-UBHSHLNASA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000399093762 366319372 /nfs/dbraw/zinc/31/93/72/366319372.db2.gz XQLCXHCGXPLBCN-GXSJLCMTSA-N 2 2 240.297 2.195 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000389500761 356694206 /nfs/dbraw/zinc/69/42/06/356694206.db2.gz 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BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000309606417 491152278 /nfs/dbraw/zinc/15/22/78/491152278.db2.gz YTGJRQUIDVMOMP-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000309606417 491152279 /nfs/dbraw/zinc/15/22/79/491152279.db2.gz YTGJRQUIDVMOMP-SMDDNHRTSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000414855067 200771781 /nfs/dbraw/zinc/77/17/81/200771781.db2.gz VWPONGSGMHWUGE-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629396679 361044289 /nfs/dbraw/zinc/04/42/89/361044289.db2.gz NWWRGJYPFUYUCY-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)s1 ZINC000629390965 361045674 /nfs/dbraw/zinc/04/56/74/361045674.db2.gz PXZGETZBIRJRAT-NWDGAFQWSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1F ZINC000629396946 361046974 /nfs/dbraw/zinc/04/69/74/361046974.db2.gz RQXSAHWOZCVPCQ-AAEUAGOBSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000629401371 361052070 /nfs/dbraw/zinc/05/20/70/361052070.db2.gz AAXIGNPZOUKNTE-QWHCGFSZSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc2cnccc21 ZINC000629405465 361052652 /nfs/dbraw/zinc/05/26/52/361052652.db2.gz BMPIQMIXTDHWBO-XHDPSFHLSA-N 2 2 241.338 2.075 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629405806 361053762 /nfs/dbraw/zinc/05/37/62/361053762.db2.gz GSDYNIBDYYGFDD-SWLSCSKDSA-N 2 2 248.370 2.314 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629404727 361054520 /nfs/dbraw/zinc/05/45/20/361054520.db2.gz CLSICGZLLIAPDC-LFHSMUGYSA-N 2 2 246.354 2.048 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccccc1OC ZINC000629524189 361122113 /nfs/dbraw/zinc/12/21/13/361122113.db2.gz NKSFJFNMKZJXPR-FPMFFAJLSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000309715886 491154837 /nfs/dbraw/zinc/15/48/37/491154837.db2.gz YULUYGFHMSUCIU-KWCYVHTRSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000309715886 491154838 /nfs/dbraw/zinc/15/48/38/491154838.db2.gz YULUYGFHMSUCIU-KWCYVHTRSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]CC1CCCCCC1 ZINC000159077554 361220879 /nfs/dbraw/zinc/22/08/79/361220879.db2.gz ZWSLJODHHBKXOB-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CC[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579137397 366721861 /nfs/dbraw/zinc/72/18/61/366721861.db2.gz AZERKVAZAUYTKR-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CC[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579137397 366721865 /nfs/dbraw/zinc/72/18/65/366721865.db2.gz AZERKVAZAUYTKR-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP COC1(C[C@@H](C)[NH2+]CC[NH+]2CCCC2)CCC1 ZINC000429369738 201104526 /nfs/dbraw/zinc/10/45/26/201104526.db2.gz FYOCMZLHJIJUJC-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429435047 201108135 /nfs/dbraw/zinc/10/81/35/201108135.db2.gz INQIIYWXLHDUIO-MRVWCRGKSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000429435047 201108139 /nfs/dbraw/zinc/10/81/39/201108139.db2.gz INQIIYWXLHDUIO-MRVWCRGKSA-N 2 2 234.387 2.391 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc3ccccc3n2)CCC1 ZINC000342138606 181331975 /nfs/dbraw/zinc/33/19/75/181331975.db2.gz NNOFXGDKFWIWKL-UHFFFAOYSA-N 2 2 241.338 2.206 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C[NH2+]1 ZINC000629540965 361415257 /nfs/dbraw/zinc/41/52/57/361415257.db2.gz QBSRQLNCHALRDO-MRVWCRGKSA-N 2 2 245.370 2.189 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629542833 361420590 /nfs/dbraw/zinc/42/05/90/361420590.db2.gz MZISAKBEUCMTJQ-OBJOEFQTSA-N 2 2 233.359 2.181 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629544744 361424329 /nfs/dbraw/zinc/42/43/29/361424329.db2.gz CEOAMPRPHRFKMQ-IACUBPJLSA-N 2 2 218.344 2.478 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000629545310 361425637 /nfs/dbraw/zinc/42/56/37/361425637.db2.gz CFKWWOGDOYINOB-NILFDRSVSA-N 2 2 230.355 2.322 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(F)cc(F)c1 ZINC000629547105 361430268 /nfs/dbraw/zinc/43/02/68/361430268.db2.gz GFVDPHXGENNCNV-VYUIOLGVSA-N 2 2 240.297 2.366 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629549428 361433205 /nfs/dbraw/zinc/43/32/05/361433205.db2.gz VMDQGXMTTUQLNA-MBNYWOFBSA-N 2 2 248.370 2.405 20 0 BEADLP CC[C@@H]1CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430195872 201150534 /nfs/dbraw/zinc/15/05/34/201150534.db2.gz PANNLVJIQDXJGT-SNVBAGLBSA-N 2 2 239.388 2.189 20 0 BEADLP CC[C@@H]1CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430195872 201150538 /nfs/dbraw/zinc/15/05/38/201150538.db2.gz PANNLVJIQDXJGT-SNVBAGLBSA-N 2 2 239.388 2.189 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629549463 361442016 /nfs/dbraw/zinc/44/20/16/361442016.db2.gz WBNSGTAQGCRNPO-GARJFASQSA-N 2 2 224.373 2.458 20 0 BEADLP COc1cccc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629580904 361471687 /nfs/dbraw/zinc/47/16/87/361471687.db2.gz YCPXODGWOVAGKT-GFCCVEGCSA-N 2 2 246.354 2.010 20 0 BEADLP COc1cccc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000629580904 361471691 /nfs/dbraw/zinc/47/16/91/361471691.db2.gz YCPXODGWOVAGKT-GFCCVEGCSA-N 2 2 246.354 2.010 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655680 361560175 /nfs/dbraw/zinc/56/01/75/361560175.db2.gz XMZIXJXKRUTQDU-XQQFMLRXSA-N 2 2 242.432 2.330 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655680 361560178 /nfs/dbraw/zinc/56/01/78/361560178.db2.gz XMZIXJXKRUTQDU-XQQFMLRXSA-N 2 2 242.432 2.330 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1C ZINC000629659959 361564671 /nfs/dbraw/zinc/56/46/71/361564671.db2.gz KUFQNIVEWMTNFX-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc2cnccc21 ZINC000629651224 361555850 /nfs/dbraw/zinc/55/58/50/361555850.db2.gz MJTIFKFCHVPYNH-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc2cnccc21 ZINC000629651224 361555852 /nfs/dbraw/zinc/55/58/52/361555852.db2.gz MJTIFKFCHVPYNH-UHFFFAOYSA-N 2 2 229.327 2.015 20 0 BEADLP CC[N@@H+](C/C=C\c1ccc(F)cc1)CC[NH3+] ZINC000629651076 361556282 /nfs/dbraw/zinc/55/62/82/361556282.db2.gz JCXXUOSVJHVYFP-ARJAWSKDSA-N 2 2 222.307 2.120 20 0 BEADLP CC[N@H+](C/C=C\c1ccc(F)cc1)CC[NH3+] ZINC000629651076 361556285 /nfs/dbraw/zinc/55/62/85/361556285.db2.gz JCXXUOSVJHVYFP-ARJAWSKDSA-N 2 2 222.307 2.120 20 0 BEADLP Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000629651868 361557475 /nfs/dbraw/zinc/55/74/75/361557475.db2.gz MJRXMGAHPIYTRQ-LSDHHAIUSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000629651868 361557476 /nfs/dbraw/zinc/55/74/76/361557476.db2.gz MJRXMGAHPIYTRQ-LSDHHAIUSA-N 2 2 247.386 2.132 20 0 BEADLP CCC1([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000448552626 201242743 /nfs/dbraw/zinc/24/27/43/201242743.db2.gz QGYOFAMWYQEAMY-QWRGUYRKSA-N 2 2 208.349 2.144 20 0 BEADLP CCC1([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000448552626 201242745 /nfs/dbraw/zinc/24/27/45/201242745.db2.gz QGYOFAMWYQEAMY-QWRGUYRKSA-N 2 2 208.349 2.144 20 0 BEADLP CCC1([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000448552625 201244154 /nfs/dbraw/zinc/24/41/54/201244154.db2.gz QGYOFAMWYQEAMY-MNOVXSKESA-N 2 2 208.349 2.144 20 0 BEADLP CCC1([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000448552625 201244157 /nfs/dbraw/zinc/24/41/57/201244157.db2.gz QGYOFAMWYQEAMY-MNOVXSKESA-N 2 2 208.349 2.144 20 0 BEADLP Cc1[nH]cc(-c2cccc(C[NH+](C)C)c2)[nH+]1 ZINC000629707243 361642909 /nfs/dbraw/zinc/64/29/09/361642909.db2.gz RBEIZKCXSGEWGO-UHFFFAOYSA-N 2 2 215.300 2.447 20 0 BEADLP CCCc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000435393159 201268164 /nfs/dbraw/zinc/26/81/64/201268164.db2.gz ZGPHPDCUDBGNOB-GFCCVEGCSA-N 2 2 220.360 2.418 20 0 BEADLP CCCc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000435393159 201268165 /nfs/dbraw/zinc/26/81/65/201268165.db2.gz ZGPHPDCUDBGNOB-GFCCVEGCSA-N 2 2 220.360 2.418 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000308548046 541353788 /nfs/dbraw/zinc/35/37/88/541353788.db2.gz OSJOSSCWLKAZGY-MNOVXSKESA-N 2 2 200.370 2.208 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399015892 364722458 /nfs/dbraw/zinc/72/24/58/364722458.db2.gz DWONESDLNIYMIO-DOMZBBRYSA-N 2 2 232.371 2.479 20 0 BEADLP c1ccc(CCC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299916636 364821317 /nfs/dbraw/zinc/82/13/17/364821317.db2.gz HUZRDTKOOXTUOR-JKSUJKDBSA-N 2 2 244.382 2.303 20 0 BEADLP c1ccc(CCC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299916636 364821322 /nfs/dbraw/zinc/82/13/22/364821322.db2.gz HUZRDTKOOXTUOR-JKSUJKDBSA-N 2 2 244.382 2.303 20 0 BEADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000038033217 181390431 /nfs/dbraw/zinc/39/04/31/181390431.db2.gz CMIUXUMVNUVFTK-HNNXBMFYSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000038033217 181390434 /nfs/dbraw/zinc/39/04/34/181390434.db2.gz CMIUXUMVNUVFTK-HNNXBMFYSA-N 2 2 248.370 2.016 20 0 BEADLP [NH3+]CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000083046997 181393255 /nfs/dbraw/zinc/39/32/55/181393255.db2.gz XDUUVVVTVJIMBL-NSHDSACASA-N 2 2 224.735 2.088 20 0 BEADLP [NH3+]CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000083046997 181393258 /nfs/dbraw/zinc/39/32/58/181393258.db2.gz XDUUVVVTVJIMBL-NSHDSACASA-N 2 2 224.735 2.088 20 0 BEADLP CC[C@H](C)[C@@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000443006726 193010061 /nfs/dbraw/zinc/01/00/61/193010061.db2.gz YCZHDSMOYZOVLW-LPEHRKFASA-N 2 2 240.351 2.161 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)no1 ZINC000575625925 365337965 /nfs/dbraw/zinc/33/79/65/365337965.db2.gz ZCTLEYINSRFKMV-GFCCVEGCSA-N 2 2 248.330 2.311 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000182275373 366880643 /nfs/dbraw/zinc/88/06/43/366880643.db2.gz SLPPZRPODRXUSG-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)[C@@H]1C ZINC000182794992 366942804 /nfs/dbraw/zinc/94/28/04/366942804.db2.gz UTUPKJXRGBYQJR-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C ZINC000182794992 366942807 /nfs/dbraw/zinc/94/28/07/366942807.db2.gz UTUPKJXRGBYQJR-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182622590 366923393 /nfs/dbraw/zinc/92/33/93/366923393.db2.gz FCQCUOAESDGGQJ-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP C[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182622590 366923397 /nfs/dbraw/zinc/92/33/97/366923397.db2.gz FCQCUOAESDGGQJ-LBPRGKRZSA-N 2 2 207.321 2.148 20 0 BEADLP c1cn(CCC[NH+]2C[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000182829791 366948514 /nfs/dbraw/zinc/94/85/14/366948514.db2.gz USVUCRNSXKJTSR-ZIAGYGMSSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@@H]1CC[C@@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000182851131 366950285 /nfs/dbraw/zinc/95/02/85/366950285.db2.gz WENYGSTZRAILHS-VXGBXAGGSA-N 2 2 207.321 2.146 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C2 ZINC000353605882 541483690 /nfs/dbraw/zinc/48/36/90/541483690.db2.gz CJUPWIAIZQFART-IJLUTSLNSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)CC2 ZINC000353605882 541483694 /nfs/dbraw/zinc/48/36/94/541483694.db2.gz CJUPWIAIZQFART-IJLUTSLNSA-N 2 2 231.343 2.045 20 0 BEADLP c1cn(CCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000183186006 366993404 /nfs/dbraw/zinc/99/34/04/366993404.db2.gz OCMYOVYVXICBPV-BETUJISGSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000183186006 366993409 /nfs/dbraw/zinc/99/34/09/366993409.db2.gz OCMYOVYVXICBPV-BETUJISGSA-N 2 2 219.332 2.005 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000579785804 367004642 /nfs/dbraw/zinc/00/46/42/367004642.db2.gz ZQUPEZGDZGDVJL-UGFHNGPFSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000579785804 367004646 /nfs/dbraw/zinc/00/46/46/367004646.db2.gz ZQUPEZGDZGDVJL-UGFHNGPFSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)(C)C ZINC000579842478 367045057 /nfs/dbraw/zinc/04/50/57/367045057.db2.gz JLWFYDJHUJCFSR-DMDPSCGWSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)(C)C ZINC000579842478 367045062 /nfs/dbraw/zinc/04/50/62/367045062.db2.gz JLWFYDJHUJCFSR-DMDPSCGWSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000579862261 367055785 /nfs/dbraw/zinc/05/57/85/367055785.db2.gz QQUZBDMEPJIRGB-VXGBXAGGSA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000579862258 367057141 /nfs/dbraw/zinc/05/71/41/367057141.db2.gz QQUZBDMEPJIRGB-NEPJUHHUSA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000383105445 367595896 /nfs/dbraw/zinc/59/58/96/367595896.db2.gz GOFWICIXYNHMEU-KOLCDFICSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000383105445 367595900 /nfs/dbraw/zinc/59/59/00/367595900.db2.gz GOFWICIXYNHMEU-KOLCDFICSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000384031284 367669807 /nfs/dbraw/zinc/66/98/07/367669807.db2.gz AXDGZZYGEVJNHJ-ZDUSSCGKSA-N 2 2 248.370 2.015 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000384126941 367672643 /nfs/dbraw/zinc/67/26/43/367672643.db2.gz PGMZIKAYGAYIIT-YNEHKIRRSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000384126941 367672650 /nfs/dbraw/zinc/67/26/50/367672650.db2.gz PGMZIKAYGAYIIT-YNEHKIRRSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000384776082 367730104 /nfs/dbraw/zinc/73/01/04/367730104.db2.gz PQLUISUFJJGXMQ-GHMZBOCLSA-N 2 2 200.370 2.351 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399179459 367851826 /nfs/dbraw/zinc/85/18/26/367851826.db2.gz ITVNXCRNKNQJSE-FRRDWIJNSA-N 2 2 248.370 2.486 20 0 BEADLP CSCC1CCC([NH2+]CC[NH+](C)C)CC1 ZINC000385399578 367826363 /nfs/dbraw/zinc/82/63/63/367826363.db2.gz VRDDONQCXZTHLS-UHFFFAOYSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCCC[NH2+]1 ZINC000386051254 367904719 /nfs/dbraw/zinc/90/47/19/367904719.db2.gz VMJUQSFSIOPWEF-BXUZGUMPSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCC[NH2+]1 ZINC000386051256 367905410 /nfs/dbraw/zinc/90/54/10/367905410.db2.gz VMJUQSFSIOPWEF-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386555471 367990109 /nfs/dbraw/zinc/99/01/09/367990109.db2.gz HXWRAUCONWZYRQ-IUCAKERBSA-N 2 2 224.270 2.059 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C[NH2+]1 ZINC000399283569 368066714 /nfs/dbraw/zinc/06/67/14/368066714.db2.gz YHSWKJUWRGSOCD-MDZLAQPJSA-N 2 2 234.343 2.387 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399255588 368047188 /nfs/dbraw/zinc/04/71/88/368047188.db2.gz ZQJDICKKVOCVQD-MBNYWOFBSA-N 2 2 248.370 2.486 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399255591 368047661 /nfs/dbraw/zinc/04/76/61/368047661.db2.gz ZQJDICKKVOCVQD-OBJOEFQTSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1F ZINC000084946311 368860698 /nfs/dbraw/zinc/86/06/98/368860698.db2.gz ZNBFJBYJWYPYPX-KOLCDFICSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1F ZINC000084946311 368860705 /nfs/dbraw/zinc/86/07/05/368860705.db2.gz ZNBFJBYJWYPYPX-KOLCDFICSA-N 2 2 240.297 2.276 20 0 BEADLP CCc1cc(NCC[N@@H+](C)[C@@H](C)CC)nc[nH+]1 ZINC000226530037 369122015 /nfs/dbraw/zinc/12/20/15/369122015.db2.gz BAEZTCKYSALPIN-NSHDSACASA-N 2 2 236.363 2.181 20 0 BEADLP CCc1cc(NCC[N@H+](C)[C@@H](C)CC)nc[nH+]1 ZINC000226530037 369122023 /nfs/dbraw/zinc/12/20/23/369122023.db2.gz BAEZTCKYSALPIN-NSHDSACASA-N 2 2 236.363 2.181 20 0 BEADLP CC[N@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459309825 203252754 /nfs/dbraw/zinc/25/27/54/203252754.db2.gz WCFXSCOSYJEDGP-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP CC[N@@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459309825 203252757 /nfs/dbraw/zinc/25/27/57/203252757.db2.gz WCFXSCOSYJEDGP-UHFFFAOYSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@H](C[NH2+]C1CC(C(C)(C)C)C1)[NH+](C)C ZINC000459474076 203286301 /nfs/dbraw/zinc/28/63/01/203286301.db2.gz YMHGYCBMCDBHNA-VOMCLLRMSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C1CCC1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459477659 203288037 /nfs/dbraw/zinc/28/80/37/203288037.db2.gz SBICVKCHWXQOOH-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H](C1CCC1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459477659 203288040 /nfs/dbraw/zinc/28/80/40/203288040.db2.gz SBICVKCHWXQOOH-NSHDSACASA-N 2 2 221.348 2.083 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000459490681 203291878 /nfs/dbraw/zinc/29/18/78/203291878.db2.gz SUDYAPMCCRNSCS-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000459490681 203291880 /nfs/dbraw/zinc/29/18/80/203291880.db2.gz SUDYAPMCCRNSCS-ZDUSSCGKSA-N 2 2 233.359 2.085 20 0 BEADLP C[C@H]1CC[C@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433448 203280044 /nfs/dbraw/zinc/28/00/44/203280044.db2.gz UOERNUDTBDUNHD-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CC[C@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000459433448 203280048 /nfs/dbraw/zinc/28/00/48/203280048.db2.gz UOERNUDTBDUNHD-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459563421 203300396 /nfs/dbraw/zinc/30/03/96/203300396.db2.gz QOMGASJXAGXDQW-UNXYVOJBSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631858545 369442733 /nfs/dbraw/zinc/44/27/33/369442733.db2.gz AAOUMPGBFZSKHA-ZIAGYGMSSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631858545 369442736 /nfs/dbraw/zinc/44/27/36/369442736.db2.gz AAOUMPGBFZSKHA-ZIAGYGMSSA-N 2 2 248.370 2.185 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000459657528 203331449 /nfs/dbraw/zinc/33/14/49/203331449.db2.gz IDLPINMCUQRMLW-ZIAGYGMSSA-N 2 2 233.359 2.131 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCC(C)CC1 ZINC000165276571 203383982 /nfs/dbraw/zinc/38/39/82/203383982.db2.gz RAPPFWLLBLRHAO-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165313054 203383165 /nfs/dbraw/zinc/38/31/65/203383165.db2.gz HOQDIFJMWRBCPP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000165313054 203383167 /nfs/dbraw/zinc/38/31/67/203383167.db2.gz HOQDIFJMWRBCPP-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CC[NH2+]C2(C3CCC3)CCC2)c[nH+]1 ZINC000459783318 203368110 /nfs/dbraw/zinc/36/81/10/203368110.db2.gz ZCUFJJULUBHSRM-UHFFFAOYSA-N 2 2 219.332 2.196 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252157950 369999163 /nfs/dbraw/zinc/99/91/63/369999163.db2.gz NQBAYGDGERBKPR-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252157950 369999167 /nfs/dbraw/zinc/99/91/67/369999167.db2.gz NQBAYGDGERBKPR-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)C ZINC000111393185 370139706 /nfs/dbraw/zinc/13/97/06/370139706.db2.gz DAEVLYAYEQEZRW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)C ZINC000111393185 370139711 /nfs/dbraw/zinc/13/97/11/370139711.db2.gz DAEVLYAYEQEZRW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+]1C1CC1 ZINC000621377731 370320277 /nfs/dbraw/zinc/32/02/77/370320277.db2.gz FFAOBRCRYNJTMS-OUAUKWLOSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+]1C1CC1 ZINC000621377731 370320281 /nfs/dbraw/zinc/32/02/81/370320281.db2.gz FFAOBRCRYNJTMS-OUAUKWLOSA-N 2 2 244.329 2.247 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000621383993 370328299 /nfs/dbraw/zinc/32/82/99/370328299.db2.gz WPRANLIAOJAMIQ-POOIEITISA-N 2 2 222.376 2.247 20 0 BEADLP CC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000621383993 370328301 /nfs/dbraw/zinc/32/83/01/370328301.db2.gz WPRANLIAOJAMIQ-POOIEITISA-N 2 2 222.376 2.247 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621784288 370536475 /nfs/dbraw/zinc/53/64/75/370536475.db2.gz MKOUULPPMNFSRQ-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621784288 370536478 /nfs/dbraw/zinc/53/64/78/370536478.db2.gz MKOUULPPMNFSRQ-HIFRSBDPSA-N 2 2 246.354 2.008 20 0 BEADLP C[C@H](C[NH2+]Cc1ccncc1Cl)C[NH+](C)C ZINC000390266892 371192279 /nfs/dbraw/zinc/19/22/79/371192279.db2.gz QFPIEUQUOPJTDS-SNVBAGLBSA-N 2 2 241.766 2.022 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100875 371306319 /nfs/dbraw/zinc/30/63/19/371306319.db2.gz RBFRUAUQEKSJRO-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100875 371306325 /nfs/dbraw/zinc/30/63/25/371306325.db2.gz RBFRUAUQEKSJRO-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)n1 ZINC000624101011 371306714 /nfs/dbraw/zinc/30/67/14/371306714.db2.gz DYOPRTNQWBYDNU-GXTWGEPZSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(C)n1 ZINC000624101011 371306717 /nfs/dbraw/zinc/30/67/17/371306717.db2.gz DYOPRTNQWBYDNU-GXTWGEPZSA-N 2 2 247.386 2.443 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624101386 371308086 /nfs/dbraw/zinc/30/80/86/371308086.db2.gz CNGHRRQPCDGSJF-YIYPIFLZSA-N 2 2 236.403 2.495 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000624101386 371308089 /nfs/dbraw/zinc/30/80/89/371308089.db2.gz CNGHRRQPCDGSJF-YIYPIFLZSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C(F)F ZINC000624101790 371308279 /nfs/dbraw/zinc/30/82/79/371308279.db2.gz AIAWOFHSSRWEJB-NXEZZACHSA-N 2 2 234.334 2.350 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C(F)F ZINC000624101790 371308281 /nfs/dbraw/zinc/30/82/81/371308281.db2.gz AIAWOFHSSRWEJB-NXEZZACHSA-N 2 2 234.334 2.350 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188769 371378142 /nfs/dbraw/zinc/37/81/42/371378142.db2.gz BRSQIFMEAYGXPF-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188769 371378146 /nfs/dbraw/zinc/37/81/46/371378146.db2.gz BRSQIFMEAYGXPF-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624189131 371378661 /nfs/dbraw/zinc/37/86/61/371378661.db2.gz ZZBGSGYWCGGWQU-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624189131 371378665 /nfs/dbraw/zinc/37/86/65/371378665.db2.gz ZZBGSGYWCGGWQU-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CC(C)(C)[NH3+])c(C)n1 ZINC000631829392 372611827 /nfs/dbraw/zinc/61/18/27/372611827.db2.gz PKSGOUSZPZVTSR-UHFFFAOYSA-N 2 2 235.375 2.176 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CC(C)(C)[NH3+])c(C)n1 ZINC000631829392 372611829 /nfs/dbraw/zinc/61/18/29/372611829.db2.gz PKSGOUSZPZVTSR-UHFFFAOYSA-N 2 2 235.375 2.176 20 0 BEADLP CCc1cccc(OCC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631857506 372655940 /nfs/dbraw/zinc/65/59/40/372655940.db2.gz JNWPMGUPKQVBMP-GXTWGEPZSA-N 2 2 248.370 2.049 20 0 BEADLP CCc1cccc(OCC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631857506 372655949 /nfs/dbraw/zinc/65/59/49/372655949.db2.gz JNWPMGUPKQVBMP-GXTWGEPZSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1cc(C)c(CN2CC[NH2+][C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000631824906 372604239 /nfs/dbraw/zinc/60/42/39/372604239.db2.gz UCIAFFCTAKOZCW-TZMCWYRMSA-N 2 2 247.386 2.189 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631863214 372666589 /nfs/dbraw/zinc/66/65/89/372666589.db2.gz YGMOGIYRYRXAHA-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631863214 372666594 /nfs/dbraw/zinc/66/65/94/372666594.db2.gz YGMOGIYRYRXAHA-BXUZGUMPSA-N 2 2 218.344 2.171 20 0 BEADLP CCCC[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000266351566 168829503 /nfs/dbraw/zinc/82/95/03/168829503.db2.gz JPDMNTHRBVQQRG-UHFFFAOYSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671704 373588609 /nfs/dbraw/zinc/58/86/09/373588609.db2.gz YYUCZUUMEXPSCU-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671704 373588612 /nfs/dbraw/zinc/58/86/12/373588612.db2.gz YYUCZUUMEXPSCU-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H](C)C1 ZINC000309922710 170036055 /nfs/dbraw/zinc/03/60/55/170036055.db2.gz TTWFTDQYIWIJPJ-AVGNSLFASA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]CCC(C)(C)C ZINC000437756494 206074397 /nfs/dbraw/zinc/07/43/97/206074397.db2.gz GZQRCSHTAMJSNY-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000459467535 206127141 /nfs/dbraw/zinc/12/71/41/206127141.db2.gz KOHNBKQZCNMTBD-NWDGAFQWSA-N 2 2 221.348 2.226 20 0 BEADLP CC[C@@H]1CC[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000459467535 206127144 /nfs/dbraw/zinc/12/71/44/206127144.db2.gz KOHNBKQZCNMTBD-NWDGAFQWSA-N 2 2 221.348 2.226 20 0 BEADLP CCCC[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459497238 206130900 /nfs/dbraw/zinc/13/09/00/206130900.db2.gz IWIXHTNUKXASGN-GFCCVEGCSA-N 2 2 223.364 2.473 20 0 BEADLP CCCC[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459497238 206130905 /nfs/dbraw/zinc/13/09/05/206130905.db2.gz IWIXHTNUKXASGN-GFCCVEGCSA-N 2 2 223.364 2.473 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)C)C1 ZINC000459652968 206135713 /nfs/dbraw/zinc/13/57/13/206135713.db2.gz ANMXTZRTKZTTSE-SYQHCUMBSA-N 2 2 224.392 2.351 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)C)C1 ZINC000459652968 206135719 /nfs/dbraw/zinc/13/57/19/206135719.db2.gz ANMXTZRTKZTTSE-SYQHCUMBSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H](C[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC000220543371 134309616 /nfs/dbraw/zinc/30/96/16/134309616.db2.gz PTXPIIGOJMDTNN-PGJNLMOESA-N 2 2 218.344 2.240 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC000081570848 169079571 /nfs/dbraw/zinc/07/95/71/169079571.db2.gz VAGYDWNQQMSGNB-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC000081570848 169079572 /nfs/dbraw/zinc/07/95/72/169079572.db2.gz VAGYDWNQQMSGNB-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000081570848 169079574 /nfs/dbraw/zinc/07/95/74/169079574.db2.gz VAGYDWNQQMSGNB-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000081570848 169079576 /nfs/dbraw/zinc/07/95/76/169079576.db2.gz VAGYDWNQQMSGNB-HNNXBMFYSA-N 2 2 247.386 2.245 20 0 BEADLP CCC[N@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000112738269 169175367 /nfs/dbraw/zinc/17/53/67/169175367.db2.gz DWEMHTIDPQXBMO-CQSZACIVSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000112738269 169175370 /nfs/dbraw/zinc/17/53/70/169175370.db2.gz DWEMHTIDPQXBMO-CQSZACIVSA-N 2 2 236.334 2.400 20 0 BEADLP CCC[N@H+](CCO)CCCc1ccc(C)[nH+]c1 ZINC000353380717 169165290 /nfs/dbraw/zinc/16/52/90/169165290.db2.gz KZRPZLOPHNWPCW-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP CCC[N@@H+](CCO)CCCc1ccc(C)[nH+]c1 ZINC000353380717 169165291 /nfs/dbraw/zinc/16/52/91/169165291.db2.gz KZRPZLOPHNWPCW-UHFFFAOYSA-N 2 2 236.359 2.027 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cscn3)C2)[nH]1 ZINC000267406210 183328087 /nfs/dbraw/zinc/32/80/87/183328087.db2.gz HEWXFXCXZPYXBX-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cscn3)C2)[nH]1 ZINC000267406210 183328089 /nfs/dbraw/zinc/32/80/89/183328089.db2.gz HEWXFXCXZPYXBX-JTQLQIEISA-N 2 2 248.355 2.246 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340393119 169196193 /nfs/dbraw/zinc/19/61/93/169196193.db2.gz JGQBXUOWNHQEMQ-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340393119 169196195 /nfs/dbraw/zinc/19/61/95/169196195.db2.gz JGQBXUOWNHQEMQ-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000336777922 169196491 /nfs/dbraw/zinc/19/64/91/169196491.db2.gz JWKUBFQYLJHNOZ-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000336777922 169196493 /nfs/dbraw/zinc/19/64/93/169196493.db2.gz JWKUBFQYLJHNOZ-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000309958485 169200514 /nfs/dbraw/zinc/20/05/14/169200514.db2.gz JWKUBFQYLJHNOZ-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000309958485 169200516 /nfs/dbraw/zinc/20/05/16/169200516.db2.gz JWKUBFQYLJHNOZ-STQMWFEESA-N 2 2 242.432 2.346 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cccc2cccnc21 ZINC000228718232 169258978 /nfs/dbraw/zinc/25/89/78/169258978.db2.gz MNHLOUCMEVQHBO-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1cccc(C)c1C ZINC000161333472 169258996 /nfs/dbraw/zinc/25/89/96/169258996.db2.gz HVHRLSUMCBGJAV-UHFFFAOYSA-N 2 2 220.360 2.393 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(SC)cc1 ZINC000161334532 169259387 /nfs/dbraw/zinc/25/93/87/169259387.db2.gz UQPBDLZVQGKWPW-UHFFFAOYSA-N 2 2 238.400 2.498 20 0 BEADLP CCC[C@@H](CC)[NH2+]CCCn1cc[nH+]c1 ZINC000050403231 169378376 /nfs/dbraw/zinc/37/83/76/169378376.db2.gz XHLCCPDQEMQDLR-GFCCVEGCSA-N 2 2 209.337 2.442 20 0 BEADLP CCC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)OC ZINC000295139027 169384470 /nfs/dbraw/zinc/38/44/70/169384470.db2.gz PNKNIEHHRAAEGF-ZDUSSCGKSA-N 2 2 247.342 2.239 20 0 BEADLP c1cn(C2CC[NH+](Cc3cscn3)CC2)c[nH+]1 ZINC000111243046 383844461 /nfs/dbraw/zinc/84/44/61/383844461.db2.gz XTJOAXWFMVMTKN-UHFFFAOYSA-N 2 2 248.355 2.177 20 0 BEADLP CCc1cc(NCC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000088760308 383923226 /nfs/dbraw/zinc/92/32/26/383923226.db2.gz GIYYHUUMJYMWCR-UHFFFAOYSA-N 2 2 248.374 2.245 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252710 383923523 /nfs/dbraw/zinc/92/35/23/383923523.db2.gz PEIGWRATHGNDPO-IKWCTNDRSA-N 2 2 228.355 2.054 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252710 383923529 /nfs/dbraw/zinc/92/35/29/383923529.db2.gz PEIGWRATHGNDPO-IKWCTNDRSA-N 2 2 228.355 2.054 20 0 BEADLP Cc1cc(C[NH2+]CC2([NH+](C)C)CC2)cc(C)c1O ZINC000397992176 383883509 /nfs/dbraw/zinc/88/35/09/383883509.db2.gz XLQIJKLBAGMRGA-UHFFFAOYSA-N 2 2 248.370 2.193 20 0 BEADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000558254744 383884303 /nfs/dbraw/zinc/88/43/03/383884303.db2.gz CBWGNQRLXXUGFH-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCC1 ZINC000131924129 383895501 /nfs/dbraw/zinc/89/55/01/383895501.db2.gz OMNCDWDCKCUOGH-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP CC1(C)CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000336479250 383981288 /nfs/dbraw/zinc/98/12/88/383981288.db2.gz GWQZUGUPBZDGGJ-RYUDHWBXSA-N 2 2 233.359 2.366 20 0 BEADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000037249318 383964009 /nfs/dbraw/zinc/96/40/09/383964009.db2.gz LALOXNOYXVGCTC-GFCCVEGCSA-N 2 2 209.337 2.297 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000564634041 384014193 /nfs/dbraw/zinc/01/41/93/384014193.db2.gz WKUPFOFBPZQVRY-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000564634041 384014199 /nfs/dbraw/zinc/01/41/99/384014199.db2.gz WKUPFOFBPZQVRY-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)no1 ZINC000643547800 384036817 /nfs/dbraw/zinc/03/68/17/384036817.db2.gz JEBZKTRQHSVAHY-NWDGAFQWSA-N 2 2 249.358 2.308 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564973660 384053990 /nfs/dbraw/zinc/05/39/90/384053990.db2.gz NNUIHDNRRNDAIE-CQSZACIVSA-N 2 2 247.386 2.259 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000564973660 384053994 /nfs/dbraw/zinc/05/39/94/384053994.db2.gz NNUIHDNRRNDAIE-CQSZACIVSA-N 2 2 247.386 2.259 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000090721226 384071795 /nfs/dbraw/zinc/07/17/95/384071795.db2.gz NMMNSGLTHDBTEE-GHMZBOCLSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1csc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000090721226 384071800 /nfs/dbraw/zinc/07/18/00/384071800.db2.gz NMMNSGLTHDBTEE-GHMZBOCLSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884873 384100282 /nfs/dbraw/zinc/10/02/82/384100282.db2.gz AGKAEZZMUCJZLN-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000548884873 384100291 /nfs/dbraw/zinc/10/02/91/384100291.db2.gz AGKAEZZMUCJZLN-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000041063704 384176166 /nfs/dbraw/zinc/17/61/66/384176166.db2.gz IWDVXPHTBOEYJX-HNNXBMFYSA-N 2 2 241.338 2.030 20 0 BEADLP C(C1CCC1)[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000173620869 384239288 /nfs/dbraw/zinc/23/92/88/384239288.db2.gz JEIWIGOERIEYFD-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP C(C1CCC1)[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000173620869 384239295 /nfs/dbraw/zinc/23/92/95/384239295.db2.gz JEIWIGOERIEYFD-AWEZNQCLSA-N 2 2 222.376 2.347 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cncs1 ZINC000132383267 384228390 /nfs/dbraw/zinc/22/83/90/384228390.db2.gz HFIHJICWKUMGGX-UWVGGRQHSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000235530685 384264950 /nfs/dbraw/zinc/26/49/50/384264950.db2.gz DHPRGVVCQDGMFA-GWCFXTLKSA-N 2 2 222.307 2.228 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000082859320 384271087 /nfs/dbraw/zinc/27/10/87/384271087.db2.gz QZXLSVKTMVDQCF-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000082859320 384271091 /nfs/dbraw/zinc/27/10/91/384271091.db2.gz QZXLSVKTMVDQCF-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000133920747 384320235 /nfs/dbraw/zinc/32/02/35/384320235.db2.gz VVQLBRXBQRZKGU-MNOVXSKESA-N 2 2 248.305 2.157 20 0 BEADLP CC1(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000569577263 384280286 /nfs/dbraw/zinc/28/02/86/384280286.db2.gz MVEIGBJKYWGQKC-UONOGXRCSA-N 2 2 230.355 2.213 20 0 BEADLP CC1(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000569577263 384280293 /nfs/dbraw/zinc/28/02/93/384280293.db2.gz MVEIGBJKYWGQKC-UONOGXRCSA-N 2 2 230.355 2.213 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nccs1 ZINC000083143163 384283326 /nfs/dbraw/zinc/28/33/26/384283326.db2.gz CVQUGPMGCSNYSV-ZJUUUORDSA-N 2 2 227.377 2.134 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300060099 384287512 /nfs/dbraw/zinc/28/75/12/384287512.db2.gz DAUGSZZKFQFBME-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[NH+](C)C ZINC000308833370 384337720 /nfs/dbraw/zinc/33/77/20/384337720.db2.gz HBGXKZILCMNMTF-YVECIDJPSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC(F)F ZINC000647225867 384374539 /nfs/dbraw/zinc/37/45/39/384374539.db2.gz GOWQIHIDASLHKR-GARJFASQSA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)CC(F)F ZINC000647225867 384374542 /nfs/dbraw/zinc/37/45/42/384374542.db2.gz GOWQIHIDASLHKR-GARJFASQSA-N 2 2 246.345 2.493 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000084487078 384399576 /nfs/dbraw/zinc/39/95/76/384399576.db2.gz RZRZWBKHIUUQHG-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000084487080 384400366 /nfs/dbraw/zinc/40/03/66/384400366.db2.gz RZRZWBKHIUUQHG-AWEZNQCLSA-N 2 2 218.344 2.145 20 0 BEADLP c1csc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000335632747 384408059 /nfs/dbraw/zinc/40/80/59/384408059.db2.gz XFNGTJAGVIUHRE-SNVBAGLBSA-N 2 2 233.340 2.049 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000335644257 384414190 /nfs/dbraw/zinc/41/41/90/384414190.db2.gz RYIMZEHQRKLQTP-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000335642689 384418993 /nfs/dbraw/zinc/41/89/93/384418993.db2.gz HHYLSAHJHFQTID-MNOVXSKESA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000335642691 384419409 /nfs/dbraw/zinc/41/94/09/384419409.db2.gz HHYLSAHJHFQTID-WDEREUQCSA-N 2 2 224.373 2.287 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000149368777 384479819 /nfs/dbraw/zinc/47/98/19/384479819.db2.gz UCBZYFKJFXOLLF-OAHLLOKOSA-N 2 2 248.345 2.498 20 0 BEADLP Cc1[nH+]cn(CCc2cc[nH+]cc2C)c1C ZINC000335664669 384481915 /nfs/dbraw/zinc/48/19/15/384481915.db2.gz XRQDDCBKXRGGPN-UHFFFAOYSA-N 2 2 215.300 2.446 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000335034040 384506975 /nfs/dbraw/zinc/50/69/75/384506975.db2.gz UCJGVETWHRYTFA-OCCSQVGLSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1Cl ZINC000037712967 384509689 /nfs/dbraw/zinc/50/96/89/384509689.db2.gz YVVUUDBONUOMDL-ZETCQYMHSA-N 2 2 216.687 2.088 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1Cl ZINC000037712968 384511060 /nfs/dbraw/zinc/51/10/60/384511060.db2.gz YVVUUDBONUOMDL-SSDOTTSWSA-N 2 2 216.687 2.088 20 0 BEADLP FC(F)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000150281348 384490809 /nfs/dbraw/zinc/49/08/09/384490809.db2.gz XJKUOXPRBVBQPJ-UHFFFAOYSA-N 2 2 240.297 2.420 20 0 BEADLP FC(F)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000150281348 384490815 /nfs/dbraw/zinc/49/08/15/384490815.db2.gz XJKUOXPRBVBQPJ-UHFFFAOYSA-N 2 2 240.297 2.420 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000097050801 384491666 /nfs/dbraw/zinc/49/16/66/384491666.db2.gz GKBWQQSWLKFEGV-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000147856238 384535106 /nfs/dbraw/zinc/53/51/06/384535106.db2.gz LHVVGCIKOHNHPF-DOMZBBRYSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000147856238 384535111 /nfs/dbraw/zinc/53/51/11/384535111.db2.gz LHVVGCIKOHNHPF-DOMZBBRYSA-N 2 2 248.370 2.254 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000556833867 384515067 /nfs/dbraw/zinc/51/50/67/384515067.db2.gz NWBACSFLSNBBEM-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000556833867 384515070 /nfs/dbraw/zinc/51/50/70/384515070.db2.gz NWBACSFLSNBBEM-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000122854886 384517611 /nfs/dbraw/zinc/51/76/11/384517611.db2.gz GCJZFCXADNMLHH-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000122854886 384517617 /nfs/dbraw/zinc/51/76/17/384517617.db2.gz GCJZFCXADNMLHH-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000123019770 384529217 /nfs/dbraw/zinc/52/92/17/384529217.db2.gz WISKUJRCJLNXNB-OBJOEFQTSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000123019770 384529219 /nfs/dbraw/zinc/52/92/19/384529219.db2.gz WISKUJRCJLNXNB-OBJOEFQTSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccn1 ZINC000019905771 384557178 /nfs/dbraw/zinc/55/71/78/384557178.db2.gz LQUJFVVRNDEKRW-LBPRGKRZSA-N 2 2 235.375 2.320 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000334758410 384570304 /nfs/dbraw/zinc/57/03/04/384570304.db2.gz VQRYYDKTYQVHFZ-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000334758410 384570310 /nfs/dbraw/zinc/57/03/10/384570310.db2.gz VQRYYDKTYQVHFZ-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCC3)CCC[N@@H+]1C ZINC000309734822 384572805 /nfs/dbraw/zinc/57/28/05/384572805.db2.gz CAXBOHYDFRGVCP-JHJVBQTASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCC3)CCC[N@H+]1C ZINC000309734822 384572813 /nfs/dbraw/zinc/57/28/13/384572813.db2.gz CAXBOHYDFRGVCP-JHJVBQTASA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)(C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123632453 384573792 /nfs/dbraw/zinc/57/37/92/384573792.db2.gz HTBMIWKSSWUQRG-UHFFFAOYSA-N 2 2 233.359 2.439 20 0 BEADLP c1ccc(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643069235 384574696 /nfs/dbraw/zinc/57/46/96/384574696.db2.gz PXSOSSFGRXLPNX-HOTGVXAUSA-N 2 2 244.382 2.303 20 0 BEADLP c1ccc(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000643069235 384574711 /nfs/dbraw/zinc/57/47/11/384574711.db2.gz PXSOSSFGRXLPNX-HOTGVXAUSA-N 2 2 244.382 2.303 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643066415 384580667 /nfs/dbraw/zinc/58/06/67/384580667.db2.gz OBRDFLKUWHOUQM-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C ZINC000643066415 384580670 /nfs/dbraw/zinc/58/06/70/384580670.db2.gz OBRDFLKUWHOUQM-HZPDHXFCSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068876 384581621 /nfs/dbraw/zinc/58/16/21/384581621.db2.gz MNBNGNJJMFDXNZ-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643068876 384581626 /nfs/dbraw/zinc/58/16/26/384581626.db2.gz MNBNGNJJMFDXNZ-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)o1 ZINC000309804882 384633245 /nfs/dbraw/zinc/63/32/45/384633245.db2.gz XHTOCEKEYDYEEV-CMPLNLGQSA-N 2 2 224.348 2.436 20 0 BEADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccn1 ZINC000162219276 384591625 /nfs/dbraw/zinc/59/16/25/384591625.db2.gz SBVOKSSRDVRPTR-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccn1 ZINC000162219276 384591629 /nfs/dbraw/zinc/59/16/29/384591629.db2.gz SBVOKSSRDVRPTR-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000309772305 384595293 /nfs/dbraw/zinc/59/52/93/384595293.db2.gz KSOSTVPMUJLYGL-YIYPIFLZSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)[C@H]1C ZINC000309772305 384595301 /nfs/dbraw/zinc/59/53/01/384595301.db2.gz KSOSTVPMUJLYGL-YIYPIFLZSA-N 2 2 224.392 2.352 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1C ZINC000647532755 384638693 /nfs/dbraw/zinc/63/86/93/384638693.db2.gz CNBAVTFEDKEGML-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1C ZINC000647532755 384638699 /nfs/dbraw/zinc/63/86/99/384638699.db2.gz CNBAVTFEDKEGML-ZBFHGGJFSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533315 384642419 /nfs/dbraw/zinc/64/24/19/384642419.db2.gz PGORYJRJPWWTLE-NEPJUHHUSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533315 384642425 /nfs/dbraw/zinc/64/24/25/384642425.db2.gz PGORYJRJPWWTLE-NEPJUHHUSA-N 2 2 236.384 2.240 20 0 BEADLP c1cn(CCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000403414316 384656153 /nfs/dbraw/zinc/65/61/53/384656153.db2.gz VBYYAVZLXHCBHJ-MCIONIFRSA-N 2 2 233.359 2.299 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000336656504 384656920 /nfs/dbraw/zinc/65/69/20/384656920.db2.gz HYZMSHNSYOUSNI-GXTWGEPZSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000336656504 384656933 /nfs/dbraw/zinc/65/69/33/384656933.db2.gz HYZMSHNSYOUSNI-GXTWGEPZSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+](Cc1cscc1Cl)C1CC([NH3+])C1 ZINC000647544865 384723471 /nfs/dbraw/zinc/72/34/71/384723471.db2.gz VOHXGCLBCCPZAU-UHFFFAOYSA-N 2 2 230.764 2.323 20 0 BEADLP C[N@@H+](Cc1cscc1Cl)C1CC([NH3+])C1 ZINC000647544865 384723472 /nfs/dbraw/zinc/72/34/72/384723472.db2.gz VOHXGCLBCCPZAU-UHFFFAOYSA-N 2 2 230.764 2.323 20 0 BEADLP C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052274131 384728051 /nfs/dbraw/zinc/72/80/51/384728051.db2.gz GZHRLTNRCPXPPR-RISCZKNCSA-N 2 2 227.311 2.370 20 0 BEADLP C[C@@H]1C[N@H+](Cc2nccc3ccccc32)C[C@H]1[NH3+] ZINC000647539313 384676631 /nfs/dbraw/zinc/67/66/31/384676631.db2.gz QXQFBFMENLHSAM-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2nccc3ccccc32)C[C@H]1[NH3+] ZINC000647539313 384676637 /nfs/dbraw/zinc/67/66/37/384676637.db2.gz QXQFBFMENLHSAM-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]cn2C)o1 ZINC000082393951 384680512 /nfs/dbraw/zinc/68/05/12/384680512.db2.gz IXPIAAZGMPZHDK-SNVBAGLBSA-N 2 2 219.288 2.172 20 0 BEADLP c1ccc(N2CCC([NH2+][C@H]3CC34CC4)CC2)[nH+]c1 ZINC000335276045 384708531 /nfs/dbraw/zinc/70/85/31/384708531.db2.gz DIXYAJUKGTZMCD-ZDUSSCGKSA-N 2 2 243.354 2.193 20 0 BEADLP CC(C)(C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086930866 384722792 /nfs/dbraw/zinc/72/27/92/384722792.db2.gz FIXLFXYBTNPMOK-GFCCVEGCSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086930866 384722801 /nfs/dbraw/zinc/72/28/01/384722801.db2.gz FIXLFXYBTNPMOK-GFCCVEGCSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086930866 384722806 /nfs/dbraw/zinc/72/28/06/384722806.db2.gz FIXLFXYBTNPMOK-GFCCVEGCSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)(C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000086930866 384722814 /nfs/dbraw/zinc/72/28/14/384722814.db2.gz FIXLFXYBTNPMOK-GFCCVEGCSA-N 2 2 210.365 2.203 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)ccc1F ZINC000647549486 384743718 /nfs/dbraw/zinc/74/37/18/384743718.db2.gz CVJMZXSVOGISJA-GWCFXTLKSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1nccs1 ZINC000083142997 384746167 /nfs/dbraw/zinc/74/61/67/384746167.db2.gz QYRHBNAFINZGKZ-VHSXEESVSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)c1cccc(O)c1 ZINC000647551620 384753022 /nfs/dbraw/zinc/75/30/22/384753022.db2.gz ZOYIBPGPJWCDEX-WZRBSPASSA-N 2 2 234.343 2.041 20 0 BEADLP C[C@H](C[NH2+]CC(C)(C)C)Cn1cc[nH+]c1 ZINC000163815094 384760360 /nfs/dbraw/zinc/76/03/60/384760360.db2.gz QQNCTENQMJDQCW-LLVKDONJSA-N 2 2 209.337 2.155 20 0 BEADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622003901 384786709 /nfs/dbraw/zinc/78/67/09/384786709.db2.gz HGMBMOHAZDEEIO-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622003901 384786717 /nfs/dbraw/zinc/78/67/17/384786717.db2.gz HGMBMOHAZDEEIO-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP C[N@@H+](Cc1ccco1)C[C@@H]1CCC[NH+](C)C1 ZINC000104095915 384799107 /nfs/dbraw/zinc/79/91/07/384799107.db2.gz YQZLYXMGNWPJSJ-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[N@H+](Cc1ccco1)C[C@@H]1CCC[NH+](C)C1 ZINC000104095915 384799115 /nfs/dbraw/zinc/79/91/15/384799115.db2.gz YQZLYXMGNWPJSJ-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccco1)C[C@@H]1CCC[N@H+](C)C1 ZINC000104095915 384799121 /nfs/dbraw/zinc/79/91/21/384799121.db2.gz YQZLYXMGNWPJSJ-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccco1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104095915 384799131 /nfs/dbraw/zinc/79/91/31/384799131.db2.gz YQZLYXMGNWPJSJ-GFCCVEGCSA-N 2 2 222.332 2.053 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000335251923 384877812 /nfs/dbraw/zinc/87/78/12/384877812.db2.gz QXDZJFMZJNWCLK-NHYWBVRUSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000335251923 384877817 /nfs/dbraw/zinc/87/78/17/384877817.db2.gz QXDZJFMZJNWCLK-NHYWBVRUSA-N 2 2 230.355 2.097 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000335497641 384878607 /nfs/dbraw/zinc/87/86/07/384878607.db2.gz VYUPYNWVABUQQN-KCJUWKMLSA-N 2 2 240.347 2.299 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)o1 ZINC000309804886 384841597 /nfs/dbraw/zinc/84/15/97/384841597.db2.gz XHTOCEKEYDYEEV-JQWIXIFHSA-N 2 2 224.348 2.436 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403808186 384867270 /nfs/dbraw/zinc/86/72/70/384867270.db2.gz HGNCUBOKCAAOBV-BARDWOONSA-N 2 2 236.403 2.497 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403808186 384867277 /nfs/dbraw/zinc/86/72/77/384867277.db2.gz HGNCUBOKCAAOBV-BARDWOONSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000127540724 384911371 /nfs/dbraw/zinc/91/13/71/384911371.db2.gz PLBIKWYZDYCMAQ-GFCCVEGCSA-N 2 2 247.317 2.416 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261587698 384967622 /nfs/dbraw/zinc/96/76/22/384967622.db2.gz VDBWABGFIWPBQH-NEPJUHHUSA-N 2 2 247.342 2.236 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877739 384975665 /nfs/dbraw/zinc/97/56/65/384975665.db2.gz FENBKJRAKJVMLH-AEGPPILISA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877739 384975671 /nfs/dbraw/zinc/97/56/71/384975671.db2.gz FENBKJRAKJVMLH-AEGPPILISA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000555877739 384975676 /nfs/dbraw/zinc/97/56/76/384975676.db2.gz FENBKJRAKJVMLH-AEGPPILISA-N 2 2 245.370 2.311 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000555877739 384975681 /nfs/dbraw/zinc/97/56/81/384975681.db2.gz FENBKJRAKJVMLH-AEGPPILISA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](C[NH2+]Cc1ccco1)C[NH+]1CCCC1 ZINC000057994227 384976597 /nfs/dbraw/zinc/97/65/97/384976597.db2.gz HREOKYMNHVEWET-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP C[C@H](c1cccnc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877761 384976726 /nfs/dbraw/zinc/97/67/26/384976726.db2.gz FENBKJRAKJVMLH-VHDGCEQUSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877761 384976737 /nfs/dbraw/zinc/97/67/37/384976737.db2.gz FENBKJRAKJVMLH-VHDGCEQUSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000555877761 384976740 /nfs/dbraw/zinc/97/67/40/384976740.db2.gz FENBKJRAKJVMLH-VHDGCEQUSA-N 2 2 245.370 2.311 20 0 BEADLP C[C@H](c1cccnc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000555877761 384976751 /nfs/dbraw/zinc/97/67/51/384976751.db2.gz FENBKJRAKJVMLH-VHDGCEQUSA-N 2 2 245.370 2.311 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)sn1 ZINC000404415794 384982666 /nfs/dbraw/zinc/98/26/66/384982666.db2.gz NKHHZAHBBSUKNR-QWRGUYRKSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)sn1 ZINC000404415794 384982670 /nfs/dbraw/zinc/98/26/70/384982670.db2.gz NKHHZAHBBSUKNR-QWRGUYRKSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ccoc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000164422354 384987652 /nfs/dbraw/zinc/98/76/52/384987652.db2.gz SLQVTHDNORGDQL-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP Cc1ccoc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000164422354 384987657 /nfs/dbraw/zinc/98/76/57/384987657.db2.gz SLQVTHDNORGDQL-UHFFFAOYSA-N 2 2 224.348 2.408 20 0 BEADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000300859918 385001275 /nfs/dbraw/zinc/00/12/75/385001275.db2.gz GISGZABLQVDZCJ-NWDGAFQWSA-N 2 2 200.370 2.208 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000043327587 385002284 /nfs/dbraw/zinc/00/22/84/385002284.db2.gz ZFRAJAXWPLGORY-WDEREUQCSA-N 2 2 224.373 2.459 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cncs1 ZINC000156881352 385004203 /nfs/dbraw/zinc/00/42/03/385004203.db2.gz NDEKJEZVIHGNTN-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cncs1 ZINC000156881352 385004210 /nfs/dbraw/zinc/00/42/10/385004210.db2.gz NDEKJEZVIHGNTN-OUAUKWLOSA-N 2 2 239.388 2.276 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000340477809 385068729 /nfs/dbraw/zinc/06/87/29/385068729.db2.gz IKCDAFYKCOINQS-RYUDHWBXSA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)C1([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000340477809 385068738 /nfs/dbraw/zinc/06/87/38/385068738.db2.gz IKCDAFYKCOINQS-RYUDHWBXSA-N 2 2 222.376 2.390 20 0 BEADLP Cc1cccc(N2CCC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000157125093 385081690 /nfs/dbraw/zinc/08/16/90/385081690.db2.gz VOEBEQPGLZYCBQ-CQSZACIVSA-N 2 2 245.370 2.455 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559335050 385082031 /nfs/dbraw/zinc/08/20/31/385082031.db2.gz UXPMOGJWJUJKEL-SYAUCNOPSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559335050 385082036 /nfs/dbraw/zinc/08/20/36/385082036.db2.gz UXPMOGJWJUJKEL-SYAUCNOPSA-N 2 2 244.382 2.330 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000226708659 385043538 /nfs/dbraw/zinc/04/35/38/385043538.db2.gz LMEJTGYJXSDGSM-GXTWGEPZSA-N 2 2 218.344 2.431 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000226708659 385043548 /nfs/dbraw/zinc/04/35/48/385043548.db2.gz LMEJTGYJXSDGSM-GXTWGEPZSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559335049 385083501 /nfs/dbraw/zinc/08/35/01/385083501.db2.gz UXPMOGJWJUJKEL-QCEMKRCNSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559335049 385083508 /nfs/dbraw/zinc/08/35/08/385083508.db2.gz UXPMOGJWJUJKEL-QCEMKRCNSA-N 2 2 244.382 2.330 20 0 BEADLP CC[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151521722 385114949 /nfs/dbraw/zinc/11/49/49/385114949.db2.gz MWIHARZCBGTMNE-LLVKDONJSA-N 2 2 230.315 2.155 20 0 BEADLP CC[C@@H](C[NH2+][C@H](COC)C(C)C)[NH+]1CCCC1 ZINC000151703933 385127700 /nfs/dbraw/zinc/12/77/00/385127700.db2.gz MOIBRLXZROEETP-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000087289958 385089409 /nfs/dbraw/zinc/08/94/09/385089409.db2.gz GNHLFVZVEGVZIK-NSHDSACASA-N 2 2 222.332 2.415 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H](O)C2CCC2)c[nH+]1 ZINC000449740595 385107702 /nfs/dbraw/zinc/10/77/02/385107702.db2.gz QDCLLTIGVSGMPZ-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP Cc1cncc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000189950508 385200105 /nfs/dbraw/zinc/20/01/05/385200105.db2.gz UQTNTOSUKAKPSV-UHFFFAOYSA-N 2 2 247.386 2.352 20 0 BEADLP Cl/C=C/C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176912731 385156568 /nfs/dbraw/zinc/15/65/68/385156568.db2.gz CNZBJIIZEXXHKZ-DAFODLJHSA-N 2 2 225.723 2.273 20 0 BEADLP Cc1ccc(C[N@@H+](C)Cc2c[nH+]cn2C)s1 ZINC000177044581 385171639 /nfs/dbraw/zinc/17/16/39/385171639.db2.gz BTBPPLKUUMRAAS-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Cc1ccc(C[N@H+](C)Cc2c[nH+]cn2C)s1 ZINC000177044581 385171645 /nfs/dbraw/zinc/17/16/45/385171645.db2.gz BTBPPLKUUMRAAS-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP CC[C@@H](C)C[C@H](CC)[NH2+]CC[NH+](C)C ZINC000019266309 385179143 /nfs/dbraw/zinc/17/91/43/385179143.db2.gz VSOZEDLIDKKJEG-NEPJUHHUSA-N 2 2 200.370 2.352 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684210 385225404 /nfs/dbraw/zinc/22/54/04/385225404.db2.gz RXOPLWJTDRXTAW-RYUDHWBXSA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684210 385225410 /nfs/dbraw/zinc/22/54/10/385225410.db2.gz RXOPLWJTDRXTAW-RYUDHWBXSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cccnc1Cl ZINC000166285475 385236616 /nfs/dbraw/zinc/23/66/16/385236616.db2.gz GCMUDWWNEBZFAN-JTQLQIEISA-N 2 2 241.766 2.337 20 0 BEADLP c1cn(CCCn2c[nH+]c3c2CCCC3)c[nH+]1 ZINC000130483142 385253162 /nfs/dbraw/zinc/25/31/62/385253162.db2.gz BMYPLBIVTXRWAP-UHFFFAOYSA-N 2 2 230.315 2.049 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000044527762 385308682 /nfs/dbraw/zinc/30/86/82/385308682.db2.gz CCUAPWFPBWMYTN-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000044527762 385308688 /nfs/dbraw/zinc/30/86/88/385308688.db2.gz CCUAPWFPBWMYTN-SNVBAGLBSA-N 2 2 240.297 2.136 20 0 BEADLP CC[C@H]1CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000346679776 385258521 /nfs/dbraw/zinc/25/85/21/385258521.db2.gz ATFAJTWAGNAPFJ-UONOGXRCSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@H]1CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000346679776 385258528 /nfs/dbraw/zinc/25/85/28/385258528.db2.gz ATFAJTWAGNAPFJ-UONOGXRCSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000294864377 385276410 /nfs/dbraw/zinc/27/64/10/385276410.db2.gz WCZMNQAORNXXKU-NSHDSACASA-N 2 2 209.337 2.297 20 0 BEADLP C[NH+](C)CC1([NH2+]CCC(C)(C)C)CCC1 ZINC000309044149 385389871 /nfs/dbraw/zinc/38/98/71/385389871.db2.gz NGNVVPHQYIQVLH-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000309025607 385367249 /nfs/dbraw/zinc/36/72/49/385367249.db2.gz ZRWCUNNTKVWRNG-MNOVXSKESA-N 2 2 212.381 2.351 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000178473233 385378682 /nfs/dbraw/zinc/37/86/82/385378682.db2.gz BFOMHRWEETXJIZ-UHFFFAOYSA-N 2 2 233.290 2.154 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000178473233 385378685 /nfs/dbraw/zinc/37/86/85/385378685.db2.gz BFOMHRWEETXJIZ-UHFFFAOYSA-N 2 2 233.290 2.154 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000309062857 385390896 /nfs/dbraw/zinc/39/08/96/385390896.db2.gz XQYMRMGTNFYSSM-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000309062857 385390901 /nfs/dbraw/zinc/39/09/01/385390901.db2.gz XQYMRMGTNFYSSM-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[N@H+](C)C1CC1 ZINC000178783031 385328602 /nfs/dbraw/zinc/32/86/02/385328602.db2.gz CKQLJXCTICSKJW-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+](C)C1CC1 ZINC000178783031 385328606 /nfs/dbraw/zinc/32/86/06/385328606.db2.gz CKQLJXCTICSKJW-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309120845 385424213 /nfs/dbraw/zinc/42/42/13/385424213.db2.gz NSLBQYBOMHFBCF-MNOVXSKESA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309120845 385424214 /nfs/dbraw/zinc/42/42/14/385424214.db2.gz NSLBQYBOMHFBCF-MNOVXSKESA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309120847 385424365 /nfs/dbraw/zinc/42/43/65/385424365.db2.gz NSLBQYBOMHFBCF-QWRGUYRKSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309120847 385424369 /nfs/dbraw/zinc/42/43/69/385424369.db2.gz NSLBQYBOMHFBCF-QWRGUYRKSA-N 2 2 224.373 2.096 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)o1 ZINC000155759602 385410803 /nfs/dbraw/zinc/41/08/03/385410803.db2.gz FMKAMWHLLXJDMV-NSHDSACASA-N 2 2 233.315 2.389 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CCCCC2)CCC[N@@H+]1C ZINC000309119476 385423862 /nfs/dbraw/zinc/42/38/62/385423862.db2.gz MZHYULCFAWQYIG-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CCCCC2)CCC[N@H+]1C ZINC000309119476 385423865 /nfs/dbraw/zinc/42/38/65/385423865.db2.gz MZHYULCFAWQYIG-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccco1 ZINC000170793488 385446150 /nfs/dbraw/zinc/44/61/50/385446150.db2.gz OIZPZAZWVATSGI-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccco1 ZINC000170793488 385446154 /nfs/dbraw/zinc/44/61/54/385446154.db2.gz OIZPZAZWVATSGI-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP Cc1nc(N2CCCC[C@@H]2CC[NH3+])c(C)c(C)[nH+]1 ZINC000257664489 385485813 /nfs/dbraw/zinc/48/58/13/385485813.db2.gz CLSSJRCGWVJVSP-CYBMUJFWSA-N 2 2 248.374 2.110 20 0 BEADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000157944317 385539122 /nfs/dbraw/zinc/53/91/22/385539122.db2.gz ATFLCEMJVGYENV-RYUDHWBXSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000157944449 385539821 /nfs/dbraw/zinc/53/98/21/385539821.db2.gz ATFLCEMJVGYENV-NEPJUHHUSA-N 2 2 238.350 2.296 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[NH+](C)C ZINC000157943269 385540069 /nfs/dbraw/zinc/54/00/69/385540069.db2.gz DORVVXDCAIADHB-NEPJUHHUSA-N 2 2 238.350 2.296 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000229317703 385596993 /nfs/dbraw/zinc/59/69/93/385596993.db2.gz BRUKTBUCYFGOLY-NWDGAFQWSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000229317703 385596997 /nfs/dbraw/zinc/59/69/97/385596997.db2.gz BRUKTBUCYFGOLY-NWDGAFQWSA-N 2 2 222.332 2.160 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1CC1(C)C ZINC000309458200 385589965 /nfs/dbraw/zinc/58/99/65/385589965.db2.gz OAWIODQMGZWHNT-ZDEQEGDKSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1CC1(C)C ZINC000309458200 385589968 /nfs/dbraw/zinc/58/99/68/385589968.db2.gz OAWIODQMGZWHNT-ZDEQEGDKSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000337378369 385632262 /nfs/dbraw/zinc/63/22/62/385632262.db2.gz HSQCDKAXLMFBKA-RDBSUJKOSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000337378367 385632915 /nfs/dbraw/zinc/63/29/15/385632915.db2.gz HSQCDKAXLMFBKA-MCIONIFRSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC000365131952 385609887 /nfs/dbraw/zinc/60/98/87/385609887.db2.gz KHMLEIWEXPZZSE-NWANDNLSSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000063191628 385610364 /nfs/dbraw/zinc/61/03/64/385610364.db2.gz BQTDDNOWQDUJGO-CMPLNLGQSA-N 2 2 224.373 2.450 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000063191628 385610369 /nfs/dbraw/zinc/61/03/69/385610369.db2.gz BQTDDNOWQDUJGO-CMPLNLGQSA-N 2 2 224.373 2.450 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336682064 385640052 /nfs/dbraw/zinc/64/00/52/385640052.db2.gz DFCXYMRZAQLSEX-NWDGAFQWSA-N 2 2 221.348 2.224 20 0 BEADLP C[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000336734360 385665806 /nfs/dbraw/zinc/66/58/06/385665806.db2.gz HHHOAONDMDBUSF-IJLUTSLNSA-N 2 2 244.448 2.446 20 0 BEADLP c1cn(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000309585836 385718077 /nfs/dbraw/zinc/71/80/77/385718077.db2.gz VMSUHWCEGBTRGX-OLZOCXBDSA-N 2 2 219.332 2.051 20 0 BEADLP CC(C)CCC[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000336653652 385699950 /nfs/dbraw/zinc/69/99/50/385699950.db2.gz GFSKZFSUCLHYEA-ZDUSSCGKSA-N 2 2 244.448 2.450 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC12CCC2 ZINC000309572646 385703327 /nfs/dbraw/zinc/70/33/27/385703327.db2.gz NZPNXZHQQSJVEB-NWDGAFQWSA-N 2 2 219.332 2.194 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000182779404 385705579 /nfs/dbraw/zinc/70/55/79/385705579.db2.gz DYHOPDLDQLLSRY-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000182779404 385705584 /nfs/dbraw/zinc/70/55/84/385705584.db2.gz DYHOPDLDQLLSRY-UHFFFAOYSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@H]1SCC[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000182789962 385706908 /nfs/dbraw/zinc/70/69/08/385706908.db2.gz ZTZCKXKPZHSHMT-NWDGAFQWSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@H]1SCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000182789962 385706915 /nfs/dbraw/zinc/70/69/15/385706915.db2.gz ZTZCKXKPZHSHMT-NWDGAFQWSA-N 2 2 239.388 2.099 20 0 BEADLP C[C@H](C[NH2+]Cc1cccc(F)c1F)C[NH+](C)C ZINC000291794561 385709095 /nfs/dbraw/zinc/70/90/95/385709095.db2.gz WPKIWCBEHHOINB-SNVBAGLBSA-N 2 2 242.313 2.252 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC12CCCC2 ZINC000336735818 385716385 /nfs/dbraw/zinc/71/63/85/385716385.db2.gz ONRICXNYQFMBEL-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Clc1csc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414851758 385667048 /nfs/dbraw/zinc/66/70/48/385667048.db2.gz UZMKHSUSQYHLSM-VIFPVBQESA-N 2 2 230.764 2.243 20 0 BEADLP C[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000336734361 385667900 /nfs/dbraw/zinc/66/79/00/385667900.db2.gz HHHOAONDMDBUSF-UTUOFQBUSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)CS1 ZINC000336654930 385737310 /nfs/dbraw/zinc/73/73/10/385737310.db2.gz GZLLXKWLWQNOCJ-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC000414859851 385739031 /nfs/dbraw/zinc/73/90/31/385739031.db2.gz BNYIJDURICNBJH-LBPRGKRZSA-N 2 2 238.762 2.490 20 0 BEADLP CSCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183190485 385740552 /nfs/dbraw/zinc/74/05/52/385740552.db2.gz VNCLSJQOARNQIG-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP CSCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183190485 385740558 /nfs/dbraw/zinc/74/05/58/385740558.db2.gz VNCLSJQOARNQIG-LBPRGKRZSA-N 2 2 241.404 2.347 20 0 BEADLP C[C@H](CCC1CC1)[NH2+]CCCn1cc[nH+]c1 ZINC000186198071 385746064 /nfs/dbraw/zinc/74/60/64/385746064.db2.gz MYJFBJZYWRPHOG-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP CCc1cccc(F)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414861718 385752711 /nfs/dbraw/zinc/75/27/11/385752711.db2.gz GDWXLBOPQWKVKC-GFCCVEGCSA-N 2 2 236.334 2.230 20 0 BEADLP CCCC[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270866294 385753718 /nfs/dbraw/zinc/75/37/18/385753718.db2.gz SQEFXSOMKLTWDF-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CCCC[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000270866294 385753725 /nfs/dbraw/zinc/75/37/25/385753725.db2.gz SQEFXSOMKLTWDF-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CSC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270884765 385755317 /nfs/dbraw/zinc/75/53/17/385755317.db2.gz OANLABJYSHLHED-GFCCVEGCSA-N 2 2 239.388 2.019 20 0 BEADLP CSC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000270884765 385755322 /nfs/dbraw/zinc/75/53/22/385755322.db2.gz OANLABJYSHLHED-GFCCVEGCSA-N 2 2 239.388 2.019 20 0 BEADLP CSCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365771503 385759095 /nfs/dbraw/zinc/75/90/95/385759095.db2.gz BYLQYSOMFPKZLE-NSHDSACASA-N 2 2 239.388 2.342 20 0 BEADLP CSCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000365771503 385759101 /nfs/dbraw/zinc/75/91/01/385759101.db2.gz BYLQYSOMFPKZLE-NSHDSACASA-N 2 2 239.388 2.342 20 0 BEADLP COCC[NH2+]CC[NH2+]CC1CCC(C)(C)CC1 ZINC000414866326 385776746 /nfs/dbraw/zinc/77/67/46/385776746.db2.gz AOSTYFCYOYWNAK-UHFFFAOYSA-N 2 2 242.407 2.028 20 0 BEADLP CCCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183795310 385798078 /nfs/dbraw/zinc/79/80/78/385798078.db2.gz XYVJZMDDQYNHBB-UHFFFAOYSA-N 2 2 248.374 2.097 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414950773 385818932 /nfs/dbraw/zinc/81/89/32/385818932.db2.gz HZRJLFOMTAZJSK-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000271377285 385822491 /nfs/dbraw/zinc/82/24/91/385822491.db2.gz HVIOHNWNLKUTKR-CHWSQXEVSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000271377285 385822493 /nfs/dbraw/zinc/82/24/93/385822493.db2.gz HVIOHNWNLKUTKR-CHWSQXEVSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414871461 385857897 /nfs/dbraw/zinc/85/78/97/385857897.db2.gz UUPXKNJXRFUMGS-ZDUSSCGKSA-N 2 2 238.762 2.490 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414953232 385831582 /nfs/dbraw/zinc/83/15/82/385831582.db2.gz JJFHUGLMNGDJTH-QMAVJUDZSA-N 2 2 236.334 2.427 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC000414953678 385832542 /nfs/dbraw/zinc/83/25/42/385832542.db2.gz JZTJNGXEDUTYJE-GFCCVEGCSA-N 2 2 206.333 2.083 20 0 BEADLP COc1ccccc1C1([NH2+]C2CC[NH2+]CC2)CC1 ZINC000647802915 385836511 /nfs/dbraw/zinc/83/65/11/385836511.db2.gz YXIJGVJLFUKNTK-UHFFFAOYSA-N 2 2 246.354 2.026 20 0 BEADLP COc1ccccc1/C=C\C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414869741 385838189 /nfs/dbraw/zinc/83/81/89/385838189.db2.gz RPYBDYYFWJTFPK-HJHHMULASA-N 2 2 246.354 2.050 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414869733 385838955 /nfs/dbraw/zinc/83/89/55/385838955.db2.gz RPYBDYYFWJTFPK-GBXSZLQWSA-N 2 2 246.354 2.050 20 0 BEADLP CCC1([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000294811862 385900358 /nfs/dbraw/zinc/90/03/58/385900358.db2.gz NXNRJPHBDXNXMR-UHFFFAOYSA-N 2 2 215.300 2.367 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336721403 385910080 /nfs/dbraw/zinc/91/00/80/385910080.db2.gz DJULHDAOZMMGKZ-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336721403 385910085 /nfs/dbraw/zinc/91/00/85/385910085.db2.gz DJULHDAOZMMGKZ-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)o1 ZINC000272544119 385910267 /nfs/dbraw/zinc/91/02/67/385910267.db2.gz CGCXPEIMNBVDPR-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)o1 ZINC000272544119 385910270 /nfs/dbraw/zinc/91/02/70/385910270.db2.gz CGCXPEIMNBVDPR-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272544119 385910272 /nfs/dbraw/zinc/91/02/72/385910272.db2.gz CGCXPEIMNBVDPR-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)o1 ZINC000272544119 385910275 /nfs/dbraw/zinc/91/02/75/385910275.db2.gz CGCXPEIMNBVDPR-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335033421 385920243 /nfs/dbraw/zinc/92/02/43/385920243.db2.gz PQRBYQSSOWNRHL-HZMBPMFUSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1cnc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])s1 ZINC000335033659 385920277 /nfs/dbraw/zinc/92/02/77/385920277.db2.gz HEEIHJZJISCCLQ-GHMZBOCLSA-N 2 2 239.388 2.201 20 0 BEADLP Cc1cnc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])s1 ZINC000335033660 385920648 /nfs/dbraw/zinc/92/06/48/385920648.db2.gz HEEIHJZJISCCLQ-MNOVXSKESA-N 2 2 239.388 2.201 20 0 BEADLP CCC[NH2+]CC[NH2+]C/C=C/c1ccccc1 ZINC000414871831 385860321 /nfs/dbraw/zinc/86/03/21/385860321.db2.gz OOFZEPQYZYOQIY-RMKNXTFCSA-N 2 2 218.344 2.289 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000308799979 385865343 /nfs/dbraw/zinc/86/53/43/385865343.db2.gz MHLFEWQJLXALGS-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000308799979 385865345 /nfs/dbraw/zinc/86/53/45/385865345.db2.gz MHLFEWQJLXALGS-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000308799977 385865673 /nfs/dbraw/zinc/86/56/73/385865673.db2.gz MHLFEWQJLXALGS-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC000308799977 385865675 /nfs/dbraw/zinc/86/56/75/385865675.db2.gz MHLFEWQJLXALGS-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337999537 385872840 /nfs/dbraw/zinc/87/28/40/385872840.db2.gz PJJHWQHHGWMCQD-BNOWGMLFSA-N 2 2 233.359 2.440 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337999540 385874167 /nfs/dbraw/zinc/87/41/67/385874167.db2.gz PJJHWQHHGWMCQD-XBFCOCLRSA-N 2 2 233.359 2.440 20 0 BEADLP Clc1csc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000334866075 385975650 /nfs/dbraw/zinc/97/56/50/385975650.db2.gz WBTSOAVDKRFMLU-VIFPVBQESA-N 2 2 230.764 2.243 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000335023377 385985815 /nfs/dbraw/zinc/98/58/15/385985815.db2.gz GZQZPVDSIGOBHU-IAQYHMDHSA-N 2 2 230.355 2.188 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000251698803 385991335 /nfs/dbraw/zinc/99/13/35/385991335.db2.gz HOTUTBURBSSVDZ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000251698803 385991338 /nfs/dbraw/zinc/99/13/38/385991338.db2.gz HOTUTBURBSSVDZ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccoc1 ZINC000338236147 385931829 /nfs/dbraw/zinc/93/18/29/385931829.db2.gz GYPQBDLMXDPHSV-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccoc1 ZINC000338236147 385931832 /nfs/dbraw/zinc/93/18/32/385931832.db2.gz GYPQBDLMXDPHSV-UHFFFAOYSA-N 2 2 224.348 2.443 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335043540 385937155 /nfs/dbraw/zinc/93/71/55/385937155.db2.gz ROCFKWZPIBIEHL-IUODEOHRSA-N 2 2 246.354 2.024 20 0 BEADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000335044211 385939539 /nfs/dbraw/zinc/93/95/39/385939539.db2.gz UKWSMZJBQOGVFQ-RYUDHWBXSA-N 2 2 208.305 2.029 20 0 BEADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1C ZINC000414077837 385950555 /nfs/dbraw/zinc/95/05/55/385950555.db2.gz ZKAGTTVLBUDEEB-YRGRVCCFSA-N 2 2 247.386 2.396 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054969 385953481 /nfs/dbraw/zinc/95/34/81/385953481.db2.gz PJKIADUXPQCHFW-HZMBPMFUSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054969 385953485 /nfs/dbraw/zinc/95/34/85/385953485.db2.gz PJKIADUXPQCHFW-HZMBPMFUSA-N 2 2 231.343 2.017 20 0 BEADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335055048 385953721 /nfs/dbraw/zinc/95/37/21/385953721.db2.gz QMTWEBJADNIBCV-ZFWWWQNUSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1nccc2ccccc21 ZINC000335056237 385957044 /nfs/dbraw/zinc/95/70/44/385957044.db2.gz BFYZJNVVTNTYRR-WCQYABFASA-N 2 2 241.338 2.247 20 0 BEADLP C[C@H]1CC[NH2+]CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335058100 385958258 /nfs/dbraw/zinc/95/82/58/385958258.db2.gz XXUAXEOJXNONOI-SMDDNHRTSA-N 2 2 245.370 2.455 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)[NH+](C)C ZINC000336747011 385965263 /nfs/dbraw/zinc/96/52/63/385965263.db2.gz CDDRDCRYQMLYSW-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000334846556 385969578 /nfs/dbraw/zinc/96/95/78/385969578.db2.gz CEMXPJDHFWNNHP-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)o1 ZINC000414123540 385971137 /nfs/dbraw/zinc/97/11/37/385971137.db2.gz JKLLKSAFWFALPY-NSHDSACASA-N 2 2 247.342 2.469 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CCC[N@@H+]1C ZINC000336749712 385999744 /nfs/dbraw/zinc/99/97/44/385999744.db2.gz FIFHLCFAJJJRGG-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C2CC(C)(C)C2)CCC[N@H+]1C ZINC000336749712 385999749 /nfs/dbraw/zinc/99/97/49/385999749.db2.gz FIFHLCFAJJJRGG-PWSUYJOCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCC1 ZINC000336770089 386001217 /nfs/dbraw/zinc/00/12/17/386001217.db2.gz WESPQTHQRKBWFH-MNOVXSKESA-N 2 2 207.321 2.050 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cc(C)cc[nH+]2)C[C@H]1C ZINC000345148528 386011235 /nfs/dbraw/zinc/01/12/35/386011235.db2.gz MFEVNMKLKZRALU-CHWSQXEVSA-N 2 2 233.359 2.309 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cc(C)cc[nH+]2)C[C@H]1C ZINC000345148528 386011239 /nfs/dbraw/zinc/01/12/39/386011239.db2.gz MFEVNMKLKZRALU-CHWSQXEVSA-N 2 2 233.359 2.309 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000414120229 386013081 /nfs/dbraw/zinc/01/30/81/386013081.db2.gz BGTOUPPCHADHDC-CYBMUJFWSA-N 2 2 233.359 2.275 20 0 BEADLP FCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000286314253 386022943 /nfs/dbraw/zinc/02/29/43/386022943.db2.gz HGDRJZSMNRBOEN-UHFFFAOYSA-N 2 2 225.311 2.339 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414185054 386025191 /nfs/dbraw/zinc/02/51/91/386025191.db2.gz GHHMWXYSZOBOLR-UNQGMJICSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000414185054 386025196 /nfs/dbraw/zinc/02/51/96/386025196.db2.gz GHHMWXYSZOBOLR-UNQGMJICSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H](C)CC(C)C)C1CC1 ZINC000155845015 386027560 /nfs/dbraw/zinc/02/75/60/386027560.db2.gz PGZVMUGPPQNBQO-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H](C)CC(C)C)C1CC1 ZINC000155845015 386027564 /nfs/dbraw/zinc/02/75/64/386027564.db2.gz PGZVMUGPPQNBQO-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335062502 386029257 /nfs/dbraw/zinc/02/92/57/386029257.db2.gz QLEYDUJFWFWPLL-UKRRQHHQSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cncc(F)c1 ZINC000221997553 386031254 /nfs/dbraw/zinc/03/12/54/386031254.db2.gz XESFIQWNURMROU-WDEREUQCSA-N 2 2 248.305 2.157 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414979372 386044097 /nfs/dbraw/zinc/04/40/97/386044097.db2.gz NUGKAHRQWVFKKQ-SECBINFHSA-N 2 2 241.404 2.268 20 0 BEADLP Cc1occc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000414296137 386103535 /nfs/dbraw/zinc/10/35/35/386103535.db2.gz FYFMPHXJFMVFOA-LLVKDONJSA-N 2 2 233.315 2.210 20 0 BEADLP CC[N@H+](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000054128015 386110951 /nfs/dbraw/zinc/11/09/51/386110951.db2.gz KHPDFDUAKBVTGE-UHFFFAOYSA-N 2 2 236.363 2.272 20 0 BEADLP CC[N@@H+](C)CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000054128015 386110958 /nfs/dbraw/zinc/11/09/58/386110958.db2.gz KHPDFDUAKBVTGE-UHFFFAOYSA-N 2 2 236.363 2.272 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205597 386058948 /nfs/dbraw/zinc/05/89/48/386058948.db2.gz IWAJLQOTMUQCDD-MFHWUAJNSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000414205597 386058957 /nfs/dbraw/zinc/05/89/57/386058957.db2.gz IWAJLQOTMUQCDD-MFHWUAJNSA-N 2 2 234.387 2.247 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414981704 386069102 /nfs/dbraw/zinc/06/91/02/386069102.db2.gz QZXFQSXOVBUQGZ-SNVBAGLBSA-N 2 2 230.714 2.306 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336772684 386071759 /nfs/dbraw/zinc/07/17/59/386071759.db2.gz XYNRMDPONLIMRI-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336772684 386071763 /nfs/dbraw/zinc/07/17/63/386071763.db2.gz XYNRMDPONLIMRI-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000414984049 386082042 /nfs/dbraw/zinc/08/20/42/386082042.db2.gz UQTBJTYRJSKDES-ZDUSSCGKSA-N 2 2 248.370 2.227 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414329442 386122904 /nfs/dbraw/zinc/12/29/04/386122904.db2.gz DBXIHAWOCMSUEU-UMSGYPCISA-N 2 2 234.343 2.065 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414329442 386122911 /nfs/dbraw/zinc/12/29/11/386122911.db2.gz DBXIHAWOCMSUEU-UMSGYPCISA-N 2 2 234.343 2.065 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000124548683 386091373 /nfs/dbraw/zinc/09/13/73/386091373.db2.gz KCDSOZGEXUULRY-SECBINFHSA-N 2 2 224.270 2.142 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000124548683 386091380 /nfs/dbraw/zinc/09/13/80/386091380.db2.gz KCDSOZGEXUULRY-SECBINFHSA-N 2 2 224.270 2.142 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)CC(F)(F)F ZINC000414281972 386093482 /nfs/dbraw/zinc/09/34/82/386093482.db2.gz NEEUNWSFELHHFS-IVZWLZJFSA-N 2 2 238.297 2.115 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)CC(F)(F)F ZINC000414281972 386093486 /nfs/dbraw/zinc/09/34/86/386093486.db2.gz NEEUNWSFELHHFS-IVZWLZJFSA-N 2 2 238.297 2.115 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000287115254 386094908 /nfs/dbraw/zinc/09/49/08/386094908.db2.gz QTXFYYHMXCKVJL-QEJZJMRPSA-N 2 2 232.371 2.330 20 0 BEADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000287115258 386095313 /nfs/dbraw/zinc/09/53/13/386095313.db2.gz QTXFYYHMXCKVJL-SNPRPXQTSA-N 2 2 232.371 2.330 20 0 BEADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335156216 386150360 /nfs/dbraw/zinc/15/03/60/386150360.db2.gz MLRYDXFDXWPLEI-WCQYABFASA-N 2 2 236.746 2.279 20 0 BEADLP CCSc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414892804 386150483 /nfs/dbraw/zinc/15/04/83/386150483.db2.gz YQCISLURCFJLST-GFCCVEGCSA-N 2 2 236.384 2.250 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000336753687 386173175 /nfs/dbraw/zinc/17/31/75/386173175.db2.gz WMKDBQSEDOSIJQ-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000336753687 386173178 /nfs/dbraw/zinc/17/31/78/386173178.db2.gz WMKDBQSEDOSIJQ-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccncc1 ZINC000414344633 386135180 /nfs/dbraw/zinc/13/51/80/386135180.db2.gz OCGZEIFPTVNOGW-ZIAGYGMSSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000414344633 386135187 /nfs/dbraw/zinc/13/51/87/386135187.db2.gz OCGZEIFPTVNOGW-ZIAGYGMSSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccncc1 ZINC000414344626 386135686 /nfs/dbraw/zinc/13/56/86/386135686.db2.gz OCGZEIFPTVNOGW-KBPBESRZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccncc1 ZINC000414344626 386135697 /nfs/dbraw/zinc/13/56/97/386135697.db2.gz OCGZEIFPTVNOGW-KBPBESRZSA-N 2 2 233.359 2.217 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H](CC[NH3+])C(F)F ZINC000414989353 386139703 /nfs/dbraw/zinc/13/97/03/386139703.db2.gz MPZPTWIGNVGHKJ-ZJUUUORDSA-N 2 2 222.323 2.241 20 0 BEADLP CO[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000275326937 386201050 /nfs/dbraw/zinc/20/10/50/386201050.db2.gz VCQUYGGZNANCKX-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP CO[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000275326937 386201053 /nfs/dbraw/zinc/20/10/53/386201053.db2.gz VCQUYGGZNANCKX-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000336742575 386203684 /nfs/dbraw/zinc/20/36/84/386203684.db2.gz OLNVEGNGODIUCJ-RYUDHWBXSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000336742575 386203687 /nfs/dbraw/zinc/20/36/87/386203687.db2.gz OLNVEGNGODIUCJ-RYUDHWBXSA-N 2 2 219.332 2.285 20 0 BEADLP C[C@H](CF)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000288520977 386212939 /nfs/dbraw/zinc/21/29/39/386212939.db2.gz UQGXWURQUKEAEW-LLVKDONJSA-N 2 2 233.290 2.320 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000275636534 386226459 /nfs/dbraw/zinc/22/64/59/386226459.db2.gz RHMZQNSMGYIJKK-GJZGRUSLSA-N 2 2 232.371 2.474 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000347147171 386260310 /nfs/dbraw/zinc/26/03/10/386260310.db2.gz MHQGRSVFXNEBGJ-OUCADQQQSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000347147171 386260315 /nfs/dbraw/zinc/26/03/15/386260315.db2.gz MHQGRSVFXNEBGJ-OUCADQQQSA-N 2 2 233.359 2.072 20 0 BEADLP COc1c(C)cc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1C ZINC000347117266 386234613 /nfs/dbraw/zinc/23/46/13/386234613.db2.gz UHWSFPLIYNZRST-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP COc1c(C)cc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1C ZINC000347117266 386234618 /nfs/dbraw/zinc/23/46/18/386234618.db2.gz UHWSFPLIYNZRST-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP CC[C@H](F)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347120062 386235194 /nfs/dbraw/zinc/23/51/94/386235194.db2.gz JZSXCFWFYJDAQT-AAEUAGOBSA-N 2 2 238.306 2.283 20 0 BEADLP CC[C@H](F)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347120062 386235210 /nfs/dbraw/zinc/23/52/10/386235210.db2.gz JZSXCFWFYJDAQT-AAEUAGOBSA-N 2 2 238.306 2.283 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccnc1 ZINC000414716705 386237909 /nfs/dbraw/zinc/23/79/09/386237909.db2.gz SQOXSTVWZQBTTP-TZMCWYRMSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000414716705 386237913 /nfs/dbraw/zinc/23/79/13/386237913.db2.gz SQOXSTVWZQBTTP-TZMCWYRMSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1cccnc1 ZINC000414716704 386238250 /nfs/dbraw/zinc/23/82/50/386238250.db2.gz SQOXSTVWZQBTTP-OCCSQVGLSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000414716704 386238254 /nfs/dbraw/zinc/23/82/54/386238254.db2.gz SQOXSTVWZQBTTP-OCCSQVGLSA-N 2 2 235.375 2.448 20 0 BEADLP CO[C@H](C)C[N@H+](CC[NH2+]C(C)(C)C)C(C)C ZINC000414716637 386238657 /nfs/dbraw/zinc/23/86/57/386238657.db2.gz XIQMFHWKYHINMM-GFCCVEGCSA-N 2 2 230.396 2.120 20 0 BEADLP CO[C@H](C)C[N@@H+](CC[NH2+]C(C)(C)C)C(C)C ZINC000414716637 386238662 /nfs/dbraw/zinc/23/86/62/386238662.db2.gz XIQMFHWKYHINMM-GFCCVEGCSA-N 2 2 230.396 2.120 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)CC2 ZINC000453209247 386240865 /nfs/dbraw/zinc/24/08/65/386240865.db2.gz ZCPPMQXIIZKIGU-ZFWWWQNUSA-N 2 2 245.370 2.366 20 0 BEADLP C[C@H](F)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347095463 386247766 /nfs/dbraw/zinc/24/77/66/386247766.db2.gz RKQBPKLXQSNARK-WCQYABFASA-N 2 2 238.306 2.283 20 0 BEADLP C[C@H](F)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347095463 386247771 /nfs/dbraw/zinc/24/77/71/386247771.db2.gz RKQBPKLXQSNARK-WCQYABFASA-N 2 2 238.306 2.283 20 0 BEADLP C[C@@H](F)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347095461 386248155 /nfs/dbraw/zinc/24/81/55/386248155.db2.gz RKQBPKLXQSNARK-DGCLKSJQSA-N 2 2 238.306 2.283 20 0 BEADLP C[C@@H](F)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347095461 386248158 /nfs/dbraw/zinc/24/81/58/386248158.db2.gz RKQBPKLXQSNARK-DGCLKSJQSA-N 2 2 238.306 2.283 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638355611 386248597 /nfs/dbraw/zinc/24/85/97/386248597.db2.gz OMNYRCYFMVOGPT-GRYCIOLGSA-N 2 2 246.345 2.494 20 0 BEADLP c1cncc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000131147260 386195397 /nfs/dbraw/zinc/19/53/97/386195397.db2.gz ZLYMZDVJJDFYAW-UHFFFAOYSA-N 2 2 245.370 2.046 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[NH+](C)C ZINC000289325900 386283697 /nfs/dbraw/zinc/28/36/97/386283697.db2.gz UGPPYPYSVYBWRU-UHFFFAOYSA-N 3 2 249.402 2.254 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000297923349 386286189 /nfs/dbraw/zinc/28/61/89/386286189.db2.gz TXJQPRGVYBJRKC-AWEZNQCLSA-N 2 2 244.342 2.128 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000297923349 386286191 /nfs/dbraw/zinc/28/61/91/386286191.db2.gz TXJQPRGVYBJRKC-AWEZNQCLSA-N 2 2 244.342 2.128 20 0 BEADLP CSc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000133242734 386288319 /nfs/dbraw/zinc/28/83/19/386288319.db2.gz LDTFAXOIMRCICH-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000133242734 386288322 /nfs/dbraw/zinc/28/83/22/386288322.db2.gz LDTFAXOIMRCICH-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[N@H+](C)C1CC1 ZINC000336730903 386289034 /nfs/dbraw/zinc/28/90/34/386289034.db2.gz FAFWTWGYPFBQIG-NTZNESFSSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[N@@H+](C)C1CC1 ZINC000336730903 386289043 /nfs/dbraw/zinc/28/90/43/386289043.db2.gz FAFWTWGYPFBQIG-NTZNESFSSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@H+](C)C1CC1 ZINC000336730952 386294787 /nfs/dbraw/zinc/29/47/87/386294787.db2.gz FBCKPWJJGTWMRR-NSHDSACASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[N@@H+](C)C1CC1 ZINC000336730952 386294791 /nfs/dbraw/zinc/29/47/91/386294791.db2.gz FBCKPWJJGTWMRR-NSHDSACASA-N 2 2 222.376 2.391 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000133167895 386298004 /nfs/dbraw/zinc/29/80/04/386298004.db2.gz XYRNOBYCZOJPIY-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000133167895 386298010 /nfs/dbraw/zinc/29/80/10/386298010.db2.gz XYRNOBYCZOJPIY-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000647886764 386306894 /nfs/dbraw/zinc/30/68/94/386306894.db2.gz RJOQHXJAHMRSSL-LLVKDONJSA-N 2 2 236.334 2.354 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000647886764 386306898 /nfs/dbraw/zinc/30/68/98/386306898.db2.gz RJOQHXJAHMRSSL-LLVKDONJSA-N 2 2 236.334 2.354 20 0 BEADLP CCC1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000453277521 386310863 /nfs/dbraw/zinc/31/08/63/386310863.db2.gz DESBREKQRWDOJS-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP CCC1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000453277521 386310867 /nfs/dbraw/zinc/31/08/67/386310867.db2.gz DESBREKQRWDOJS-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CCCC1 ZINC000289194970 386271529 /nfs/dbraw/zinc/27/15/29/386271529.db2.gz UUBQYPGUTJQOOY-UHFFFAOYSA-N 2 2 204.317 2.418 20 0 BEADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CC1 ZINC000347349109 386343219 /nfs/dbraw/zinc/34/32/19/386343219.db2.gz VEXXCMNBFDWXFZ-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC1CC1 ZINC000347349109 386343222 /nfs/dbraw/zinc/34/32/22/386343222.db2.gz VEXXCMNBFDWXFZ-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000289727826 386346054 /nfs/dbraw/zinc/34/60/54/386346054.db2.gz OTIHPVGSXLPHQF-ZFWWWQNUSA-N 2 2 248.370 2.073 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336687312 386347307 /nfs/dbraw/zinc/34/73/07/386347307.db2.gz XODGTDYKHBZZRA-VXGBXAGGSA-N 2 2 221.348 2.256 20 0 BEADLP CC[C@@H](C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336687312 386347313 /nfs/dbraw/zinc/34/73/13/386347313.db2.gz XODGTDYKHBZZRA-VXGBXAGGSA-N 2 2 221.348 2.256 20 0 BEADLP C[Si](C)(C)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265540684 386347861 /nfs/dbraw/zinc/34/78/61/386347861.db2.gz WSNFEVJSDZZGHU-UHFFFAOYSA-N 2 2 237.423 2.467 20 0 BEADLP Fc1cccc([C@H]2CC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647890040 386365519 /nfs/dbraw/zinc/36/55/19/386365519.db2.gz IQBKAUMETFJGEQ-SMDDNHRTSA-N 2 2 234.318 2.182 20 0 BEADLP Fc1cccc([C@H]2CC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647890040 386365522 /nfs/dbraw/zinc/36/55/22/386365522.db2.gz IQBKAUMETFJGEQ-SMDDNHRTSA-N 2 2 234.318 2.182 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000289896632 386368121 /nfs/dbraw/zinc/36/81/21/386368121.db2.gz XGQVUCYTZKMQCW-AWEZNQCLSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000289896632 386368127 /nfs/dbraw/zinc/36/81/27/386368127.db2.gz XGQVUCYTZKMQCW-AWEZNQCLSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1O ZINC000289951594 386377902 /nfs/dbraw/zinc/37/79/02/386377902.db2.gz AUZUFHYSKJVVEC-LSDHHAIUSA-N 2 2 248.370 2.216 20 0 BEADLP COC(C)(C)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000336697488 386381038 /nfs/dbraw/zinc/38/10/38/386381038.db2.gz UBETXHHFBYABAF-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP COC(C)(C)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000336697488 386381042 /nfs/dbraw/zinc/38/10/42/386381042.db2.gz UBETXHHFBYABAF-UHFFFAOYSA-N 2 2 239.363 2.020 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000415006365 386326183 /nfs/dbraw/zinc/32/61/83/386326183.db2.gz BGMVPIPKXMMUGK-IUCAKERBSA-N 2 2 227.377 2.092 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000276488451 386333209 /nfs/dbraw/zinc/33/32/09/386333209.db2.gz UUXLNNUUBGRUJI-DZGCQCFKSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000276488455 386333567 /nfs/dbraw/zinc/33/35/67/386333567.db2.gz UUXLNNUUBGRUJI-UKRRQHHQSA-N 2 2 248.370 2.337 20 0 BEADLP CC[C@H](CSC)[N@H+](C)CCc1c[nH+]cn1C ZINC000298394136 386336106 /nfs/dbraw/zinc/33/61/06/386336106.db2.gz LMPMKZJZBQDSOG-LLVKDONJSA-N 2 2 241.404 2.036 20 0 BEADLP CC[C@H](CSC)[N@@H+](C)CCc1c[nH+]cn1C ZINC000298394136 386336109 /nfs/dbraw/zinc/33/61/09/386336109.db2.gz LMPMKZJZBQDSOG-LLVKDONJSA-N 2 2 241.404 2.036 20 0 BEADLP Cc1ccc(CC[C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000276509425 386336338 /nfs/dbraw/zinc/33/63/38/386336338.db2.gz SVMLGRPDDLNXRL-AWEZNQCLSA-N 2 2 234.387 2.467 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000289662569 386338983 /nfs/dbraw/zinc/33/89/83/386338983.db2.gz LZLYXITWAHTQIX-KBPBESRZSA-N 2 2 248.370 2.072 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[N@@H+]1C1CC1 ZINC000336777633 386437164 /nfs/dbraw/zinc/43/71/64/386437164.db2.gz JBABJNGXVNKNCV-KKOKHZNYSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C[N@H+]1C1CC1 ZINC000336777633 386437170 /nfs/dbraw/zinc/43/71/70/386437170.db2.gz JBABJNGXVNKNCV-KKOKHZNYSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336718588 386440456 /nfs/dbraw/zinc/44/04/56/386440456.db2.gz XKIZZANCYCWAPA-IJLUTSLNSA-N 2 2 244.448 2.446 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000094079769 386444175 /nfs/dbraw/zinc/44/41/75/386444175.db2.gz LEBMROIMFQNLAZ-JSGCOSHPSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000290164399 386401391 /nfs/dbraw/zinc/40/13/91/386401391.db2.gz MCHRNFZZWHKELM-ABAIWWIYSA-N 2 2 246.354 2.192 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000290188119 386404720 /nfs/dbraw/zinc/40/47/20/386404720.db2.gz ZUAUTFSJRMXLRS-UONOGXRCSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000290188119 386404722 /nfs/dbraw/zinc/40/47/22/386404722.db2.gz ZUAUTFSJRMXLRS-UONOGXRCSA-N 2 2 248.370 2.432 20 0 BEADLP CC(C)[N@@H+](Cc1cccc(F)c1)C[C@@H](C)[NH3+] ZINC000442664106 386413721 /nfs/dbraw/zinc/41/37/21/386413721.db2.gz JBQIQKMZNJRZFW-LLVKDONJSA-N 2 2 224.323 2.383 20 0 BEADLP CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H](C)[NH3+] ZINC000442664106 386413725 /nfs/dbraw/zinc/41/37/25/386413725.db2.gz JBQIQKMZNJRZFW-LLVKDONJSA-N 2 2 224.323 2.383 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415009382 386419932 /nfs/dbraw/zinc/41/99/32/386419932.db2.gz NZUJAZBGUWWFNB-BDAKNGLRSA-N 2 2 239.388 2.236 20 0 BEADLP Cc1occc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336717131 386435906 /nfs/dbraw/zinc/43/59/06/386435906.db2.gz WDMXQIVIBXUSQQ-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1occc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336717131 386435913 /nfs/dbraw/zinc/43/59/13/386435913.db2.gz WDMXQIVIBXUSQQ-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1occc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336717131 386435917 /nfs/dbraw/zinc/43/59/17/386435917.db2.gz WDMXQIVIBXUSQQ-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1occc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336717131 386435925 /nfs/dbraw/zinc/43/59/25/386435925.db2.gz WDMXQIVIBXUSQQ-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccn1 ZINC000391182044 386468713 /nfs/dbraw/zinc/46/87/13/386468713.db2.gz KPVGHJOBXZBYAF-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccn1 ZINC000391182044 386468715 /nfs/dbraw/zinc/46/87/15/386468715.db2.gz KPVGHJOBXZBYAF-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP CC[C@H](C[NH2+]CCCc1c[nH+]ccc1C)OC ZINC000290793294 386475397 /nfs/dbraw/zinc/47/53/97/386475397.db2.gz DRNCGNOBROXESO-CQSZACIVSA-N 2 2 236.359 2.337 20 0 BEADLP CC[C@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1[NH3+] ZINC000647934967 386482418 /nfs/dbraw/zinc/48/24/18/386482418.db2.gz VSJZNONVKLLLHV-JQWIXIFHSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1[NH3+] ZINC000647934967 386482423 /nfs/dbraw/zinc/48/24/23/386482423.db2.gz VSJZNONVKLLLHV-JQWIXIFHSA-N 2 2 249.358 2.111 20 0 BEADLP CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266959750 386484009 /nfs/dbraw/zinc/48/40/09/386484009.db2.gz WIEYIJIPYMILQW-NSHDSACASA-N 2 2 207.321 2.389 20 0 BEADLP CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266959750 386484013 /nfs/dbraw/zinc/48/40/13/386484013.db2.gz WIEYIJIPYMILQW-NSHDSACASA-N 2 2 207.321 2.389 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000417350595 386487039 /nfs/dbraw/zinc/48/70/39/386487039.db2.gz AKRCLWKFPUBWJP-OLZOCXBDSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000417350596 386488537 /nfs/dbraw/zinc/48/85/37/386488537.db2.gz AKRCLWKFPUBWJP-QWHCGFSZSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1ccoc1C ZINC000414445035 386490638 /nfs/dbraw/zinc/49/06/38/386490638.db2.gz REIAYDKPFYFWPR-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccoc1C ZINC000414445035 386490643 /nfs/dbraw/zinc/49/06/43/386490643.db2.gz REIAYDKPFYFWPR-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(F)cc1 ZINC000414779671 386492126 /nfs/dbraw/zinc/49/21/26/386492126.db2.gz AEPMZMBIYMSNDJ-KYOSRNDESA-N 2 2 248.345 2.223 20 0 BEADLP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(F)cc1 ZINC000414779671 386492134 /nfs/dbraw/zinc/49/21/34/386492134.db2.gz AEPMZMBIYMSNDJ-KYOSRNDESA-N 2 2 248.345 2.223 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)CS1 ZINC000336756822 386492445 /nfs/dbraw/zinc/49/24/45/386492445.db2.gz JVBAYIHLBNQRIS-GRYCIOLGSA-N 2 2 230.421 2.056 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000415013507 386495858 /nfs/dbraw/zinc/49/58/58/386495858.db2.gz KRJXLLJJMMQOEK-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000417358221 386496820 /nfs/dbraw/zinc/49/68/20/386496820.db2.gz SZSJSHQGOHEWJC-UHFFFAOYSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000135295342 386500319 /nfs/dbraw/zinc/50/03/19/386500319.db2.gz IOEYQJBKSCRIFI-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000135295342 386500321 /nfs/dbraw/zinc/50/03/21/386500321.db2.gz IOEYQJBKSCRIFI-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)C[N@@H+]1C1CC1 ZINC000417336051 386504385 /nfs/dbraw/zinc/50/43/85/386504385.db2.gz JLHBCUJANMFBCL-UTUOFQBUSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC23CC3)C[N@H+]1C1CC1 ZINC000417336051 386504392 /nfs/dbraw/zinc/50/43/92/386504392.db2.gz JLHBCUJANMFBCL-UTUOFQBUSA-N 2 2 220.360 2.001 20 0 BEADLP CCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1F ZINC000415024772 386513206 /nfs/dbraw/zinc/51/32/06/386513206.db2.gz ZBAODZDOMXYFQD-VHSXEESVSA-N 2 2 240.322 2.050 20 0 BEADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000291160853 386517719 /nfs/dbraw/zinc/51/77/19/386517719.db2.gz PXRJFHRTZJFPQT-LLVKDONJSA-N 2 2 236.363 2.317 20 0 BEADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000291160853 386517724 /nfs/dbraw/zinc/51/77/24/386517724.db2.gz PXRJFHRTZJFPQT-LLVKDONJSA-N 2 2 236.363 2.317 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)CC(C)(C)C ZINC000291152091 386519317 /nfs/dbraw/zinc/51/93/17/386519317.db2.gz DVJAGGGOLFJXKT-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)CC(C)(C)C ZINC000291152091 386519325 /nfs/dbraw/zinc/51/93/25/386519325.db2.gz DVJAGGGOLFJXKT-UHFFFAOYSA-N 2 2 209.337 2.251 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)oc1C ZINC000335451174 386523683 /nfs/dbraw/zinc/52/36/83/386523683.db2.gz FQKPRPIYRRMZDM-SNVBAGLBSA-N 2 2 222.332 2.299 20 0 BEADLP COCc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415038901 386524909 /nfs/dbraw/zinc/52/49/09/386524909.db2.gz MIAAQAYKOQWEGA-AWEZNQCLSA-N 2 2 248.370 2.063 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(F)(F)C1 ZINC000277678087 386459447 /nfs/dbraw/zinc/45/94/47/386459447.db2.gz PIASTHYYKRQQIT-UHFFFAOYSA-N 2 2 241.285 2.035 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1C[C@H]1C ZINC000519694624 386528233 /nfs/dbraw/zinc/52/82/33/386528233.db2.gz UDAUURSWKOPQQQ-WZRBSPASSA-N 2 2 233.359 2.354 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414920910 386574312 /nfs/dbraw/zinc/57/43/12/386574312.db2.gz AOKZAFLEIGYSBQ-CQSZACIVSA-N 2 2 247.386 2.258 20 0 BEADLP C[C@H]1OCC[C@@H]1[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414797086 386577143 /nfs/dbraw/zinc/57/71/43/386577143.db2.gz ARKPLAXWZCUVTN-OCCSQVGLSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336757238 386580222 /nfs/dbraw/zinc/58/02/22/386580222.db2.gz JXWBVYOOCDMXKP-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336757238 386580225 /nfs/dbraw/zinc/58/02/25/386580225.db2.gz JXWBVYOOCDMXKP-WZRBSPASSA-N 2 2 210.365 2.105 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000414798494 386584019 /nfs/dbraw/zinc/58/40/19/386584019.db2.gz JJIKXVKGWQKLHT-CYBMUJFWSA-N 2 2 230.311 2.260 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000414922555 386593935 /nfs/dbraw/zinc/59/39/35/386593935.db2.gz GCYBCGWWYXOQNH-WFASDCNBSA-N 2 2 232.371 2.391 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000415082518 386598920 /nfs/dbraw/zinc/59/89/20/386598920.db2.gz OMWSTMRADMRRBW-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1sccc1Cl ZINC000414788761 386532600 /nfs/dbraw/zinc/53/26/00/386532600.db2.gz DVUKYLZKCMRQKR-VIFPVBQESA-N 2 2 232.780 2.474 20 0 BEADLP COc1ccsc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000414788686 386533859 /nfs/dbraw/zinc/53/38/59/386533859.db2.gz NFRHSXUDHVPUFA-UHFFFAOYSA-N 2 2 240.372 2.070 20 0 BEADLP COc1ccsc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000414788686 386533862 /nfs/dbraw/zinc/53/38/62/386533862.db2.gz NFRHSXUDHVPUFA-UHFFFAOYSA-N 2 2 240.372 2.070 20 0 BEADLP C[C@H]([NH3+])C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647995446 386538472 /nfs/dbraw/zinc/53/84/72/386538472.db2.gz ZLSWFMNQIUHPCD-VIFPVBQESA-N 2 2 224.735 2.266 20 0 BEADLP Clc1c[nH+]ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000267427907 386539740 /nfs/dbraw/zinc/53/97/40/386539740.db2.gz VYZBDASDVXLNEB-NSHDSACASA-N 2 2 249.745 2.186 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415063781 386543897 /nfs/dbraw/zinc/54/38/97/386543897.db2.gz AXODONFJBXRNET-ZDUSSCGKSA-N 2 2 236.334 2.366 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415064199 386544893 /nfs/dbraw/zinc/54/48/93/386544893.db2.gz BZFTWUQSJKPQSD-AJHXJQRKSA-N 2 2 230.355 2.432 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415069182 386552021 /nfs/dbraw/zinc/55/20/21/386552021.db2.gz OGSRAAUWAUBRFD-OAHLLOKOSA-N 2 2 232.371 2.481 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000335498110 386622489 /nfs/dbraw/zinc/62/24/89/386622489.db2.gz CUOGKUJYZAJZFB-GXSJLCMTSA-N 2 2 236.384 2.249 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C1)CCCO2 ZINC000335498410 386622523 /nfs/dbraw/zinc/62/25/23/386622523.db2.gz LZWHKBMZKYIFAY-TZMCWYRMSA-N 2 2 246.354 2.160 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000520254397 386622751 /nfs/dbraw/zinc/62/27/51/386622751.db2.gz UZFPTWLBSQBCPA-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000520254397 386622753 /nfs/dbraw/zinc/62/27/53/386622753.db2.gz UZFPTWLBSQBCPA-NWDGAFQWSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cnc2ccsc2c1 ZINC000335498101 386624171 /nfs/dbraw/zinc/62/41/71/386624171.db2.gz CTCDXKJIEMTFIQ-ONGXEEELSA-N 2 2 247.367 2.309 20 0 BEADLP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CC[NH3+] ZINC000415101399 386624288 /nfs/dbraw/zinc/62/42/88/386624288.db2.gz BTQPXWKTLGDZII-UHFFFAOYSA-N 2 2 246.276 2.404 20 0 BEADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CC[NH3+] ZINC000415101399 386624291 /nfs/dbraw/zinc/62/42/91/386624291.db2.gz BTQPXWKTLGDZII-UHFFFAOYSA-N 2 2 246.276 2.404 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1OC ZINC000414808800 386625181 /nfs/dbraw/zinc/62/51/81/386625181.db2.gz TYTVYHGTCLLBNU-UHFFFAOYSA-N 2 2 236.359 2.302 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128272 386634762 /nfs/dbraw/zinc/63/47/62/386634762.db2.gz SCEDNCLHSCFTDK-MMMKDXCPSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000415128272 386634765 /nfs/dbraw/zinc/63/47/65/386634765.db2.gz SCEDNCLHSCFTDK-MMMKDXCPSA-N 2 2 248.345 2.208 20 0 BEADLP CC(C)(C)c1ccncc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000415130157 386636887 /nfs/dbraw/zinc/63/68/87/386636887.db2.gz WAOCOTMYNQAMQA-ZDUSSCGKSA-N 2 2 247.386 2.221 20 0 BEADLP c1cn(CC[NH2+]C2CCC3(CC3)CC2)c[nH+]1 ZINC000336646693 386638320 /nfs/dbraw/zinc/63/83/20/386638320.db2.gz BHLNZDBBYLMLND-UHFFFAOYSA-N 2 2 219.332 2.196 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1scnc1C ZINC000414814227 386642755 /nfs/dbraw/zinc/64/27/55/386642755.db2.gz NMPGSRMQOISQAM-SNVBAGLBSA-N 2 2 227.377 2.059 20 0 BEADLP CCc1ncc(C[NH2+]CC([NH3+])(CC)CC)s1 ZINC000414805583 386601790 /nfs/dbraw/zinc/60/17/90/386601790.db2.gz GSLSCDQDIQHSJH-UHFFFAOYSA-N 2 2 241.404 2.313 20 0 BEADLP CC[N@@H+]1CCN(c2cc[nH+]cc2Cl)[C@@H](C)C1 ZINC000343246200 386606882 /nfs/dbraw/zinc/60/68/82/386606882.db2.gz DIKZXHRDUPKQQD-JTQLQIEISA-N 2 2 239.750 2.265 20 0 BEADLP CC[N@H+]1CCN(c2cc[nH+]cc2Cl)[C@@H](C)C1 ZINC000343246200 386606884 /nfs/dbraw/zinc/60/68/84/386606884.db2.gz DIKZXHRDUPKQQD-JTQLQIEISA-N 2 2 239.750 2.265 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000335490481 386608068 /nfs/dbraw/zinc/60/80/68/386608068.db2.gz DYJLPRNZGSLNHP-SKDRFNHKSA-N 2 2 224.373 2.144 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1c(C)noc1C ZINC000415092921 386610904 /nfs/dbraw/zinc/61/09/04/386610904.db2.gz UISXBIVDWXKBBD-NWDGAFQWSA-N 2 2 237.347 2.084 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414924174 386615866 /nfs/dbraw/zinc/61/58/66/386615866.db2.gz IIIDZNBTSPRTHK-TZMCWYRMSA-N 2 2 248.370 2.091 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000415107757 386617016 /nfs/dbraw/zinc/61/70/16/386617016.db2.gz JQZMKJGFZWDPDD-GWCFXTLKSA-N 2 2 239.338 2.245 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923789 386618375 /nfs/dbraw/zinc/61/83/75/386618375.db2.gz FZTGTVCJXSPXOQ-AWEZNQCLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000097850761 386666895 /nfs/dbraw/zinc/66/68/95/386666895.db2.gz UIEBVRYYJYAGNF-AWEZNQCLSA-N 2 2 236.334 2.303 20 0 BEADLP Cc1ccc(F)cc1C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000097850761 386666898 /nfs/dbraw/zinc/66/68/98/386666898.db2.gz UIEBVRYYJYAGNF-AWEZNQCLSA-N 2 2 236.334 2.303 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000097850762 386669502 /nfs/dbraw/zinc/66/95/02/386669502.db2.gz UIEBVRYYJYAGNF-CQSZACIVSA-N 2 2 236.334 2.303 20 0 BEADLP Cc1ccc(F)cc1C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000097850762 386669511 /nfs/dbraw/zinc/66/95/11/386669511.db2.gz UIEBVRYYJYAGNF-CQSZACIVSA-N 2 2 236.334 2.303 20 0 BEADLP Cc1cc2cc(C[NH2+][C@H](C)C[NH3+])oc2cc1C ZINC000414926618 386676898 /nfs/dbraw/zinc/67/68/98/386676898.db2.gz KBKSZXWWFMXSEC-LLVKDONJSA-N 2 2 232.327 2.486 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000335468203 386682652 /nfs/dbraw/zinc/68/26/52/386682652.db2.gz MMLGVIIMUBAOBN-KOLCDFICSA-N 2 2 222.332 2.230 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H](C)C[NH3+] ZINC000335468523 386685312 /nfs/dbraw/zinc/68/53/12/386685312.db2.gz SFSRXFOWISNZII-YPMHNXCESA-N 2 2 234.343 2.146 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]Cc1cccs1 ZINC000066184178 386685747 /nfs/dbraw/zinc/68/57/47/386685747.db2.gz MHBVUEMZWKAVBB-UHFFFAOYSA-N 2 2 212.362 2.226 20 0 BEADLP COC1CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC000414825660 386691347 /nfs/dbraw/zinc/69/13/47/386691347.db2.gz CSVFEANTVVAEDS-NRXISQOPSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000520565659 386695110 /nfs/dbraw/zinc/69/51/10/386695110.db2.gz UABUVDSZBZIUFB-GHMZBOCLSA-N 2 2 222.332 2.001 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000279536911 386698802 /nfs/dbraw/zinc/69/88/02/386698802.db2.gz ABFNBZBSLDSHCZ-GFCCVEGCSA-N 2 2 244.342 2.012 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000414829037 386703114 /nfs/dbraw/zinc/70/31/14/386703114.db2.gz AFKGMZDLUHUQHB-QMMMGPOBSA-N 2 2 246.276 2.049 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324723 386704913 /nfs/dbraw/zinc/70/49/13/386704913.db2.gz LHCDDWXDTFCOKJ-JSGCOSHPSA-N 2 2 216.328 2.016 20 0 BEADLP CC(C)OCC(C)(C)[NH2+]CC[NH2+]C(C)(C)C ZINC000396405447 386734099 /nfs/dbraw/zinc/73/40/99/386734099.db2.gz DDXFKTGVUOYPJL-UHFFFAOYSA-N 2 2 230.396 2.168 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccccn1)C1CCCCC1 ZINC000414833429 386714647 /nfs/dbraw/zinc/71/46/47/386714647.db2.gz FRDLIQNRYXYCEM-AWEZNQCLSA-N 2 2 233.359 2.079 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000335485509 386715173 /nfs/dbraw/zinc/71/51/73/386715173.db2.gz FPFUPLRVDIMAPC-VXGBXAGGSA-N 2 2 221.348 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000335485509 386715180 /nfs/dbraw/zinc/71/51/80/386715180.db2.gz FPFUPLRVDIMAPC-VXGBXAGGSA-N 2 2 221.348 2.169 20 0 BEADLP CC[C@H]1CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000292771825 386725374 /nfs/dbraw/zinc/72/53/74/386725374.db2.gz KMAVAQAUVZNEFN-NSHDSACASA-N 2 2 215.300 2.319 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1F ZINC000050559348 386727942 /nfs/dbraw/zinc/72/79/42/386727942.db2.gz XAMGZJGGGRELMU-ZDUSSCGKSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1F ZINC000050559348 386727947 /nfs/dbraw/zinc/72/79/47/386727947.db2.gz XAMGZJGGGRELMU-ZDUSSCGKSA-N 2 2 236.334 2.447 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000336761075 386754548 /nfs/dbraw/zinc/75/45/48/386754548.db2.gz MHKJOWUGZUQXBL-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000336761075 386754555 /nfs/dbraw/zinc/75/45/55/386754555.db2.gz MHKJOWUGZUQXBL-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP Fc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000414844310 386764351 /nfs/dbraw/zinc/76/43/51/386764351.db2.gz KRHSIXNCYWBTTF-JTQLQIEISA-N 2 2 242.725 2.321 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336761518 386766397 /nfs/dbraw/zinc/76/63/97/386766397.db2.gz NFWYAUCBICJSQZ-YNEHKIRRSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336761518 386766402 /nfs/dbraw/zinc/76/64/02/386766402.db2.gz NFWYAUCBICJSQZ-YNEHKIRRSA-N 2 2 212.381 2.493 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839412 386742431 /nfs/dbraw/zinc/74/24/31/386742431.db2.gz WHRSOGJNSBDANW-HNNXBMFYSA-N 2 2 241.338 2.180 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000020247169 386791241 /nfs/dbraw/zinc/79/12/41/386791241.db2.gz MPCOHLFPTLNTCU-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000020247169 386791243 /nfs/dbraw/zinc/79/12/43/386791243.db2.gz MPCOHLFPTLNTCU-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP CCC1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000336666059 386775471 /nfs/dbraw/zinc/77/54/71/386775471.db2.gz DYHWMXODDLTLPM-GFJIZPEISA-N 2 2 224.392 2.495 20 0 BEADLP CCC1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000336666059 386775476 /nfs/dbraw/zinc/77/54/76/386775476.db2.gz DYHWMXODDLTLPM-GFJIZPEISA-N 2 2 224.392 2.495 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CC3CCC2CC3)c[nH+]1 ZINC000336665886 386775488 /nfs/dbraw/zinc/77/54/88/386775488.db2.gz ZLROWMKVBPANEN-RUXDESIVSA-N 2 2 233.359 2.442 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCSC3)n2c1 ZINC000269341609 386783566 /nfs/dbraw/zinc/78/35/66/386783566.db2.gz GIPKGWRTJVWOLJ-NSHDSACASA-N 2 2 247.367 2.238 20 0 BEADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000336672823 386820161 /nfs/dbraw/zinc/82/01/61/386820161.db2.gz ODKNJLPGLSDVGM-NWDGAFQWSA-N 2 2 221.348 2.297 20 0 BEADLP COc1ccccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414846577 386822949 /nfs/dbraw/zinc/82/29/49/386822949.db2.gz TUQZHPLYMMBAKR-UHFFFAOYSA-N 2 2 248.370 2.446 20 0 BEADLP CC[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)[NH+]1CCCC1 ZINC000417850505 386808280 /nfs/dbraw/zinc/80/82/80/386808280.db2.gz BNLLVZPVJHSUGO-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+][C@H]1COC(C)(C)C1)[NH+]1CCCC1 ZINC000417850486 386809083 /nfs/dbraw/zinc/80/90/83/386809083.db2.gz BNLLVZPVJHSUGO-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414935704 386811515 /nfs/dbraw/zinc/81/15/15/386811515.db2.gz UOSCNURYOUSKJC-UKRRQHHQSA-N 2 2 232.371 2.391 20 0 BEADLP CCc1oc2ccccc2c1C[NH2+][C@H](C)C[NH3+] ZINC000414936784 386829825 /nfs/dbraw/zinc/82/98/25/386829825.db2.gz WDXZKYGNDWNRAS-SNVBAGLBSA-N 2 2 232.327 2.432 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051627259 386834356 /nfs/dbraw/zinc/83/43/56/386834356.db2.gz MTSQQNLQGDYCFG-KGLIPLIRSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc[nH+]1 ZINC000301546971 386853514 /nfs/dbraw/zinc/85/35/14/386853514.db2.gz FELURWJRLGSAGO-NSHDSACASA-N 2 2 236.363 2.173 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CC[C@@H]1SC)[NH+]1CCCC1 ZINC000425350783 386869721 /nfs/dbraw/zinc/86/97/21/386869721.db2.gz GCVHDBDYQLHDFS-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000414940107 386875998 /nfs/dbraw/zinc/87/59/98/386875998.db2.gz ZESZLFLMMRHSKK-SNVBAGLBSA-N 2 2 247.367 2.247 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414941659 386886099 /nfs/dbraw/zinc/88/60/99/386886099.db2.gz YTHSGBQWPHYPJK-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)ccc1C ZINC000358228674 386915033 /nfs/dbraw/zinc/91/50/33/386915033.db2.gz VLCJSJNWHNLRGT-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1C ZINC000358228674 386915036 /nfs/dbraw/zinc/91/50/36/386915036.db2.gz VLCJSJNWHNLRGT-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000334863283 386917109 /nfs/dbraw/zinc/91/71/09/386917109.db2.gz MLCDVIQMIUYLJS-TZMCWYRMSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@@H]1C[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335770867 386918243 /nfs/dbraw/zinc/91/82/43/386918243.db2.gz ZPGOQINHMILJLX-PWSUYJOCSA-N 2 2 219.332 2.245 20 0 BEADLP c1cnc2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2c1 ZINC000334848838 386896270 /nfs/dbraw/zinc/89/62/70/386896270.db2.gz LOYPEEVOVFLFBZ-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc(NC[C@H]2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000334847945 386896390 /nfs/dbraw/zinc/89/63/90/386896390.db2.gz HARFAFOXKQDDPK-NEPJUHHUSA-N 2 2 219.332 2.190 20 0 BEADLP Fc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1Cl ZINC000334850882 386901034 /nfs/dbraw/zinc/90/10/34/386901034.db2.gz XRYBFKMNPFDIEK-JTQLQIEISA-N 2 2 242.725 2.321 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000334852915 386903086 /nfs/dbraw/zinc/90/30/86/386903086.db2.gz CDXCZZREUKOSAS-NOZJJQNGSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000334864333 386920382 /nfs/dbraw/zinc/92/03/82/386920382.db2.gz ONFROFNCAGUNGU-JSGCOSHPSA-N 2 2 218.344 2.083 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000334874464 386935261 /nfs/dbraw/zinc/93/52/61/386935261.db2.gz NFPXPTWRELKKOZ-LBPRGKRZSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[NH+](C)C ZINC000336763050 386937019 /nfs/dbraw/zinc/93/70/19/386937019.db2.gz OULGMYUAPDSJBD-QWRGUYRKSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104036 386942618 /nfs/dbraw/zinc/94/26/18/386942618.db2.gz ZZWWNWKBWWRWOA-JQWIXIFHSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104036 386942623 /nfs/dbraw/zinc/94/26/23/386942623.db2.gz ZZWWNWKBWWRWOA-JQWIXIFHSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000514590528 387007118 /nfs/dbraw/zinc/00/71/18/387007118.db2.gz WKSJMVPRQRPFRX-NSHDSACASA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H]1CC[C@]2(CC[N@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890099 386962886 /nfs/dbraw/zinc/96/28/86/386962886.db2.gz MSJUVDAKKWLQKF-KBPBESRZSA-N 2 2 233.359 2.395 20 0 BEADLP C[C@H]1CC[C@]2(CC[N@@H+](CCn3cc[nH+]c3)C2)C1 ZINC000334890099 386962887 /nfs/dbraw/zinc/96/28/87/386962887.db2.gz MSJUVDAKKWLQKF-KBPBESRZSA-N 2 2 233.359 2.395 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000425353524 386963408 /nfs/dbraw/zinc/96/34/08/386963408.db2.gz IRXUVKFDFISTBI-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000425353504 386963638 /nfs/dbraw/zinc/96/36/38/386963638.db2.gz IRXUVKFDFISTBI-OLZOCXBDSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000425356321 386967922 /nfs/dbraw/zinc/96/79/22/386967922.db2.gz MDZCIWJGZDEOFX-WUHRBBMRSA-N 2 2 240.416 2.097 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000425356321 386967923 /nfs/dbraw/zinc/96/79/23/386967923.db2.gz MDZCIWJGZDEOFX-WUHRBBMRSA-N 2 2 240.416 2.097 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000425363295 386970635 /nfs/dbraw/zinc/97/06/35/386970635.db2.gz WSLQRQYKKKIVFH-YNEHKIRRSA-N 2 2 244.448 2.446 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000425360232 386978206 /nfs/dbraw/zinc/97/82/06/386978206.db2.gz QVHSGOICWJRTMT-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)CC(C)(C)C ZINC000395193123 386980071 /nfs/dbraw/zinc/98/00/71/386980071.db2.gz XILWUZICEVIMJP-JHJVBQTASA-N 2 2 242.407 2.168 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000425361478 386982688 /nfs/dbraw/zinc/98/26/88/386982688.db2.gz SIMCIEPILZVVEB-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000425361478 386982698 /nfs/dbraw/zinc/98/26/98/386982698.db2.gz SIMCIEPILZVVEB-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nccn1C ZINC000341879815 386985355 /nfs/dbraw/zinc/98/53/55/386985355.db2.gz OYMCFZNSFJVCDD-LBPRGKRZSA-N 2 2 244.342 2.017 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)nc1C ZINC000314760272 386998730 /nfs/dbraw/zinc/99/87/30/386998730.db2.gz KASJLUQPKGJINY-WFASDCNBSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)nc1C ZINC000314760272 386998737 /nfs/dbraw/zinc/99/87/37/386998737.db2.gz KASJLUQPKGJINY-WFASDCNBSA-N 2 2 247.386 2.128 20 0 BEADLP C[C@@H]([NH3+])C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000110651651 387066766 /nfs/dbraw/zinc/06/67/66/387066766.db2.gz SCTUGKWGBJFNAF-SNVBAGLBSA-N 2 2 244.342 2.127 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000334967723 387051615 /nfs/dbraw/zinc/05/16/15/387051615.db2.gz JLJBEWWXNNHTAT-NSHDSACASA-N 2 2 218.344 2.127 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000334967723 387051620 /nfs/dbraw/zinc/05/16/20/387051620.db2.gz JLJBEWWXNNHTAT-NSHDSACASA-N 2 2 218.344 2.127 20 0 BEADLP C[N@H+](CC[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000334971579 387057048 /nfs/dbraw/zinc/05/70/48/387057048.db2.gz JTBGKXIVGCQVBG-ZDUSSCGKSA-N 2 2 222.307 2.094 20 0 BEADLP C[N@@H+](CC[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000334971579 387057053 /nfs/dbraw/zinc/05/70/53/387057053.db2.gz JTBGKXIVGCQVBG-ZDUSSCGKSA-N 2 2 222.307 2.094 20 0 BEADLP CC(C)c1nc(NCC(C)(C)[NH+](C)C)cc[nH+]1 ZINC000110113813 387060324 /nfs/dbraw/zinc/06/03/24/387060324.db2.gz OCSBNGRDJAUEDH-UHFFFAOYSA-N 2 2 236.363 2.352 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070536192 387067468 /nfs/dbraw/zinc/06/74/68/387067468.db2.gz YQQHIFHCAIRQEB-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070536192 387067473 /nfs/dbraw/zinc/06/74/73/387067473.db2.gz YQQHIFHCAIRQEB-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000425371595 387011703 /nfs/dbraw/zinc/01/17/03/387011703.db2.gz QLGULUIDRLHYBJ-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000425371595 387011706 /nfs/dbraw/zinc/01/17/06/387011706.db2.gz QLGULUIDRLHYBJ-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000053201254 387019950 /nfs/dbraw/zinc/01/99/50/387019950.db2.gz LMEJTGYJXSDGSM-JSGCOSHPSA-N 2 2 218.344 2.431 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000053201254 387019951 /nfs/dbraw/zinc/01/99/51/387019951.db2.gz LMEJTGYJXSDGSM-JSGCOSHPSA-N 2 2 218.344 2.431 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cccc(C)c2C)C1 ZINC000053201873 387020037 /nfs/dbraw/zinc/02/00/37/387020037.db2.gz XOMNXCOBCDNJGP-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000053201873 387020040 /nfs/dbraw/zinc/02/00/40/387020040.db2.gz XOMNXCOBCDNJGP-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CCc1ccccc1C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053201814 387020065 /nfs/dbraw/zinc/02/00/65/387020065.db2.gz KJDYDCYCIDQJLH-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053201814 387020071 /nfs/dbraw/zinc/02/00/71/387020071.db2.gz KJDYDCYCIDQJLH-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000053201469 387020386 /nfs/dbraw/zinc/02/03/86/387020386.db2.gz XUOOVHJWZAEYPW-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000053201469 387020391 /nfs/dbraw/zinc/02/03/91/387020391.db2.gz XUOOVHJWZAEYPW-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000053201815 387020671 /nfs/dbraw/zinc/02/06/71/387020671.db2.gz KJDYDCYCIDQJLH-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000053201815 387020674 /nfs/dbraw/zinc/02/06/74/387020674.db2.gz KJDYDCYCIDQJLH-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000643427038 387021297 /nfs/dbraw/zinc/02/12/97/387021297.db2.gz BSTXCSRHBKRLKJ-GJZGRUSLSA-N 2 2 248.345 2.354 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCCCO3)C2)[nH]1 ZINC000334880671 387023484 /nfs/dbraw/zinc/02/34/84/387023484.db2.gz PYQBNASNYMJRQT-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCCCO3)C2)[nH]1 ZINC000334880671 387023487 /nfs/dbraw/zinc/02/34/87/387023487.db2.gz PYQBNASNYMJRQT-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C2CC[NH+](C)CC2)n1 ZINC000070732521 387090214 /nfs/dbraw/zinc/09/02/14/387090214.db2.gz ARCBSKBOGISRLJ-JTQLQIEISA-N 2 2 239.388 2.196 20 0 BEADLP Fc1ccc(F)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000228407127 387093323 /nfs/dbraw/zinc/09/33/23/387093323.db2.gz GYLUYHKBEIWSPH-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1=CCCCC1 ZINC000335007561 387102918 /nfs/dbraw/zinc/10/29/18/387102918.db2.gz QPWHZLYSWWYNID-DGCLKSJQSA-N 2 2 208.349 2.074 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1C ZINC000335025445 387115852 /nfs/dbraw/zinc/11/58/52/387115852.db2.gz SJGCIIPPOQWEQS-OLZOCXBDSA-N 2 2 218.344 2.316 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1C ZINC000335025447 387117138 /nfs/dbraw/zinc/11/71/38/387117138.db2.gz SJGCIIPPOQWEQS-STQMWFEESA-N 2 2 218.344 2.316 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)c(F)c1 ZINC000335028039 387120159 /nfs/dbraw/zinc/12/01/59/387120159.db2.gz RUUCECJVBGJKRS-WPRPVWTQSA-N 2 2 242.725 2.492 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335030252 387124576 /nfs/dbraw/zinc/12/45/76/387124576.db2.gz AQXGSUUKHIWLAH-TZMCWYRMSA-N 2 2 234.318 2.155 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423310806 387149047 /nfs/dbraw/zinc/14/90/47/387149047.db2.gz ONPXWWKKUIBRKC-AWEZNQCLSA-N 2 2 248.370 2.359 20 0 BEADLP CCC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccn1 ZINC000423315464 387157366 /nfs/dbraw/zinc/15/73/66/387157366.db2.gz ITOSWWDQZGSLOP-STQMWFEESA-N 2 2 233.359 2.250 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423318766 387159549 /nfs/dbraw/zinc/15/95/49/387159549.db2.gz DQTUIHYBNDOHPY-BDAKNGLRSA-N 2 2 235.356 2.294 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(F)c1F ZINC000423321127 387162107 /nfs/dbraw/zinc/16/21/07/387162107.db2.gz MUBSXLDCMJEWTQ-PELKAZGASA-N 2 2 240.297 2.353 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(F)c1F ZINC000423321130 387162352 /nfs/dbraw/zinc/16/23/52/387162352.db2.gz MUBSXLDCMJEWTQ-UFBFGSQYSA-N 2 2 240.297 2.353 20 0 BEADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)oc1C ZINC000423323112 387164386 /nfs/dbraw/zinc/16/43/86/387164386.db2.gz OHLJGRTYDPANSE-CABZTGNLSA-N 2 2 222.332 2.284 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)ccc1F ZINC000423322611 387165032 /nfs/dbraw/zinc/16/50/32/387165032.db2.gz NWGZYYQZKPMEFH-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)c(C)o1 ZINC000423322318 387166151 /nfs/dbraw/zinc/16/61/51/387166151.db2.gz IDGNUIIAPFEFLV-SNVBAGLBSA-N 2 2 222.332 2.428 20 0 BEADLP C[N@H+](CC1CC1)C(C)(C)C[NH+]1CCCC1 ZINC000418147079 387169903 /nfs/dbraw/zinc/16/99/03/387169903.db2.gz QGTKMZUQJFKYHK-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP C[N@@H+](CC1CC1)C(C)(C)C[NH+]1CCCC1 ZINC000418147079 387169906 /nfs/dbraw/zinc/16/99/06/387169906.db2.gz QGTKMZUQJFKYHK-UHFFFAOYSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCOCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000120207863 387180332 /nfs/dbraw/zinc/18/03/32/387180332.db2.gz WWMYJBSWTDHUPZ-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423334568 387181015 /nfs/dbraw/zinc/18/10/15/387181015.db2.gz WSBSDZZNBHXTAP-GXFFZTMASA-N 2 2 233.359 2.032 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]CCOC)C(C)(C)C ZINC000423342644 387193829 /nfs/dbraw/zinc/19/38/29/387193829.db2.gz VDEVERKZTISMJM-LBPRGKRZSA-N 2 2 230.396 2.027 20 0 BEADLP Cn1c[nH+]cc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000336355061 387185057 /nfs/dbraw/zinc/18/50/57/387185057.db2.gz JKEPUHOTULBLHD-UHFFFAOYSA-N 2 2 242.326 2.306 20 0 BEADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423340848 387190585 /nfs/dbraw/zinc/19/05/85/387190585.db2.gz XRWTYIKFBWWEJH-BDAKNGLRSA-N 2 2 242.750 2.346 20 0 BEADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(F)cn1 ZINC000423353002 387204704 /nfs/dbraw/zinc/20/47/04/387204704.db2.gz AVZRFBAARBMTDA-CMPLNLGQSA-N 2 2 237.322 2.013 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccccc1F ZINC000423359638 387209729 /nfs/dbraw/zinc/20/97/29/387209729.db2.gz DPVSBZSUEQFOAB-JOYOIKCWSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423357964 387210822 /nfs/dbraw/zinc/21/08/22/387210822.db2.gz MSPMUCDUUJXQJL-NJZAAPMLSA-N 2 2 230.355 2.262 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423358333 387210916 /nfs/dbraw/zinc/21/09/16/387210916.db2.gz JNXFCCJBOGDZQW-MBNYWOFBSA-N 2 2 233.359 2.039 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423368342 387221445 /nfs/dbraw/zinc/22/14/45/387221445.db2.gz RVQMFBBTBOJFLJ-SGMGOOAPSA-N 2 2 248.370 2.344 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423367897 387221808 /nfs/dbraw/zinc/22/18/08/387221808.db2.gz ATQZIYVFWZSZCI-TZMCWYRMSA-N 2 2 235.375 2.366 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CCCO2 ZINC000423369867 387224878 /nfs/dbraw/zinc/22/48/78/387224878.db2.gz PCQXEBPGBMFFSM-AAEUAGOBSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1nc2c(s1)CCCC2 ZINC000423373876 387229908 /nfs/dbraw/zinc/22/99/08/387229908.db2.gz SLBKJWKMJSKOGU-DTWKUNHWSA-N 2 2 239.388 2.020 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000423325375 387230451 /nfs/dbraw/zinc/23/04/51/387230451.db2.gz IOUXACXUCGLRHI-UONOGXRCSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1nccc2ccccc21 ZINC000423397017 387231933 /nfs/dbraw/zinc/23/19/33/387231933.db2.gz NZEJGGLTTQYNCD-WDEREUQCSA-N 2 2 229.327 2.233 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cs1 ZINC000423408289 387243934 /nfs/dbraw/zinc/24/39/34/387243934.db2.gz XEWKTJCQVFVAPT-QXEWZRGKSA-N 2 2 239.388 2.100 20 0 BEADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336419664 387245818 /nfs/dbraw/zinc/24/58/18/387245818.db2.gz IVFRWMDSHGHLNQ-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336419664 387245821 /nfs/dbraw/zinc/24/58/21/387245821.db2.gz IVFRWMDSHGHLNQ-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000336419664 387245824 /nfs/dbraw/zinc/24/58/24/387245824.db2.gz IVFRWMDSHGHLNQ-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1occc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000336419664 387245831 /nfs/dbraw/zinc/24/58/31/387245831.db2.gz IVFRWMDSHGHLNQ-BXUZGUMPSA-N 2 2 236.359 2.360 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423463160 387310908 /nfs/dbraw/zinc/31/09/08/387310908.db2.gz LEYGDAHANYRSSN-PSASIEDQSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423464030 387312993 /nfs/dbraw/zinc/31/29/93/387312993.db2.gz LTWMVKDWOJBIAZ-WPRPVWTQSA-N 2 2 228.286 2.353 20 0 BEADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H](C)C[NH3+])CCCO2 ZINC000423375582 387257020 /nfs/dbraw/zinc/25/70/20/387257020.db2.gz UEGOOIXJDNSHES-JSGCOSHPSA-N 2 2 248.370 2.454 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423388107 387272781 /nfs/dbraw/zinc/27/27/81/387272781.db2.gz SZPSXCABIXDDOU-QMTHXVAHSA-N 2 2 236.334 2.401 20 0 BEADLP C[NH2+]CCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000643498410 387276737 /nfs/dbraw/zinc/27/67/37/387276737.db2.gz ZTOPADWFTVDHSL-QMMMGPOBSA-N 2 2 227.377 2.020 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423391442 387277187 /nfs/dbraw/zinc/27/71/87/387277187.db2.gz WVEWOGLJLDLHJI-IAQYHMDHSA-N 2 2 248.370 2.270 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000423438081 387288354 /nfs/dbraw/zinc/28/83/54/387288354.db2.gz GRZWFWSIHWVFGY-FXQIFTODSA-N 2 2 246.276 2.490 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)[C@H](C)[NH3+] ZINC000423438190 387288803 /nfs/dbraw/zinc/28/88/03/387288803.db2.gz GYCGKSXRKADEEQ-YIZRAAEISA-N 2 2 228.286 2.351 20 0 BEADLP Cc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)o1 ZINC000423440553 387289946 /nfs/dbraw/zinc/28/99/46/387289946.db2.gz TYWAXUOPRBLYKT-OSRDXIQISA-N 2 2 246.354 2.237 20 0 BEADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(F)cn1 ZINC000423449535 387297266 /nfs/dbraw/zinc/29/72/66/387297266.db2.gz RTSWVZFSSMCKTI-BREBYQMCSA-N 2 2 239.338 2.243 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423449534 387297580 /nfs/dbraw/zinc/29/75/80/387297580.db2.gz RTKVKEAIIPWCMK-WOPDTQHZSA-N 2 2 236.359 2.472 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000423451817 387298686 /nfs/dbraw/zinc/29/86/86/387298686.db2.gz VLGHSABKAOYBDJ-YIZRAAEISA-N 2 2 228.361 2.143 20 0 BEADLP Cc1ccc(CCC[NH2+]CC(C)(C)[NH+](C)C)cn1 ZINC000353931684 387299649 /nfs/dbraw/zinc/29/96/49/387299649.db2.gz JPTUMYNNYSHSPP-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP Cc1ccc(CCC[NH2+]CC(C)(C)[NH+](C)C)c[nH+]1 ZINC000353931684 387299656 /nfs/dbraw/zinc/29/96/56/387299656.db2.gz JPTUMYNNYSHSPP-UHFFFAOYSA-N 3 2 249.402 2.252 20 0 BEADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCCOC3)CC2)[nH+]1 ZINC000336473301 387302206 /nfs/dbraw/zinc/30/22/06/387302206.db2.gz HQWNMJSITDALJD-LBPRGKRZSA-N 2 2 249.358 2.016 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1OC ZINC000423455848 387304309 /nfs/dbraw/zinc/30/43/09/387304309.db2.gz DAMHFSFJVCCXIN-MNOVXSKESA-N 2 2 222.332 2.083 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]([NH3+])CC ZINC000423456899 387304361 /nfs/dbraw/zinc/30/43/61/387304361.db2.gz DWHQWNNRAPVXSY-CMPLNLGQSA-N 2 2 221.348 2.032 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336477872 387304373 /nfs/dbraw/zinc/30/43/73/387304373.db2.gz JEADTBKWIYNJAO-LLVKDONJSA-N 2 2 247.367 2.358 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1OC ZINC000423455847 387304483 /nfs/dbraw/zinc/30/44/83/387304483.db2.gz DAMHFSFJVCCXIN-GHMZBOCLSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccoc1 ZINC000643501879 387354855 /nfs/dbraw/zinc/35/48/55/387354855.db2.gz RUCVFKSZKZFYSW-CMPLNLGQSA-N 2 2 208.305 2.072 20 0 BEADLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423523839 387354947 /nfs/dbraw/zinc/35/49/47/387354947.db2.gz NTKULHLYFHIGJQ-CABCVRRESA-N 2 2 248.370 2.106 20 0 BEADLP c1cnc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502753 387363567 /nfs/dbraw/zinc/36/35/67/387363567.db2.gz PEIKVSAZAPMUHF-ZIAGYGMSSA-N 2 2 245.370 2.191 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000643502929 387365238 /nfs/dbraw/zinc/36/52/38/387365238.db2.gz VHNGARGWIWAKRJ-KBPBESRZSA-N 2 2 233.359 2.264 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423567929 387376932 /nfs/dbraw/zinc/37/69/32/387376932.db2.gz VKFDNZOFQZRLHT-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423567933 387377662 /nfs/dbraw/zinc/37/76/62/387377662.db2.gz VKFDNZOFQZRLHT-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccncc1 ZINC000423569281 387379996 /nfs/dbraw/zinc/37/99/96/387379996.db2.gz WBHRCEJNHDTQMJ-UONOGXRCSA-N 2 2 233.359 2.264 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000423479005 387325976 /nfs/dbraw/zinc/32/59/76/387325976.db2.gz VBJICBXHJLOVQS-GWCFXTLKSA-N 2 2 249.358 2.033 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423484829 387331043 /nfs/dbraw/zinc/33/10/43/387331043.db2.gz YXTJOWAZFQMBCB-SCZZXKLOSA-N 2 2 228.286 2.353 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000515050168 387333455 /nfs/dbraw/zinc/33/34/55/387333455.db2.gz DSSOYXITKKEFLX-FZMZJTMJSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000515050168 387333459 /nfs/dbraw/zinc/33/34/59/387333459.db2.gz DSSOYXITKKEFLX-FZMZJTMJSA-N 2 2 233.359 2.291 20 0 BEADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000354123686 387334925 /nfs/dbraw/zinc/33/49/25/387334925.db2.gz BAYNQXJWBYOUEV-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000354123686 387334928 /nfs/dbraw/zinc/33/49/28/387334928.db2.gz BAYNQXJWBYOUEV-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)CC[NH+](C)C)c[nH+]1 ZINC000354180920 387343195 /nfs/dbraw/zinc/34/31/95/387343195.db2.gz JZDPZTWNNUBAFL-CQSZACIVSA-N 3 2 249.402 2.252 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cncc(F)c1 ZINC000643501359 387352144 /nfs/dbraw/zinc/35/21/44/387352144.db2.gz DXMUVOYKYPXLQW-ZWNOBZJWSA-N 2 2 237.322 2.013 20 0 BEADLP CCOc1ccccc1C[NH2+]C1CC([NH+](C)C)C1 ZINC000515867964 387438707 /nfs/dbraw/zinc/43/87/07/387438707.db2.gz VSIANOYPVBJLQJ-UHFFFAOYSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)(C)OC1CC([NH2+]CC[NH+]2CCCC2)C1 ZINC000352700059 387443315 /nfs/dbraw/zinc/44/33/15/387443315.db2.gz KZWWVKPMMUUAPO-UHFFFAOYSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000304207390 387448546 /nfs/dbraw/zinc/44/85/46/387448546.db2.gz QOJBVSXGQVYQCH-KGLIPLIRSA-N 2 2 218.344 2.213 20 0 BEADLP CCCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000304207390 387448550 /nfs/dbraw/zinc/44/85/50/387448550.db2.gz QOJBVSXGQVYQCH-KGLIPLIRSA-N 2 2 218.344 2.213 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC)cc1 ZINC000643506508 387459821 /nfs/dbraw/zinc/45/98/21/387459821.db2.gz ZHXAQXRIVHMTEO-HNNXBMFYSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506332 387459833 /nfs/dbraw/zinc/45/98/33/387459833.db2.gz SELWOVWGLCKGIJ-HNNXBMFYSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)cc1Cl ZINC000162075295 387393430 /nfs/dbraw/zinc/39/34/30/387393430.db2.gz PTSZLCDIKIMWJI-SSDOTTSWSA-N 2 2 233.142 2.430 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](O)C2(C)C)c[nH+]1 ZINC000354634317 387407763 /nfs/dbraw/zinc/40/77/63/387407763.db2.gz JBSDUDZAOQHIGD-KBPBESRZSA-N 2 2 248.370 2.072 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@H]([C@@H](C)O)C2)c[nH+]1 ZINC000354639917 387408650 /nfs/dbraw/zinc/40/86/50/387408650.db2.gz UFKQCHIUKFEJKL-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@H]([C@@H](C)O)C2)c[nH+]1 ZINC000354639917 387408654 /nfs/dbraw/zinc/40/86/54/387408654.db2.gz UFKQCHIUKFEJKL-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@H](C[NH2+]C(C1CCC1)C1CCC1)[NH+](C)C ZINC000304312855 387460933 /nfs/dbraw/zinc/46/09/33/387460933.db2.gz KPMUAUSUKIOEJE-LLVKDONJSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000352811021 387502973 /nfs/dbraw/zinc/50/29/73/387502973.db2.gz RGENIGKACDGMLY-BZPMIXESSA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000352811021 387502977 /nfs/dbraw/zinc/50/29/77/387502977.db2.gz RGENIGKACDGMLY-BZPMIXESSA-N 2 2 248.370 2.425 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@@H]3C[C@H]3C)cn21 ZINC000648078928 387507220 /nfs/dbraw/zinc/50/72/20/387507220.db2.gz YLJQYFZAROLYFO-YPMHNXCESA-N 2 2 243.354 2.431 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@H]3C[C@@H]3C)cn21 ZINC000648078927 387507651 /nfs/dbraw/zinc/50/76/51/387507651.db2.gz YLJQYFZAROLYFO-WCQYABFASA-N 2 2 243.354 2.431 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCC=CO1)CCCC2 ZINC000375300990 387523744 /nfs/dbraw/zinc/52/37/44/387523744.db2.gz DLLYDRMFPGBGLR-CYBMUJFWSA-N 2 2 247.342 2.002 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923874 387533414 /nfs/dbraw/zinc/53/34/14/387533414.db2.gz LZKBICGZEYGMAO-SKDRFNHKSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923874 387533417 /nfs/dbraw/zinc/53/34/17/387533417.db2.gz LZKBICGZEYGMAO-SKDRFNHKSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1(C)CC1 ZINC000122477346 387534663 /nfs/dbraw/zinc/53/46/63/387534663.db2.gz FTZICKVSDBNZNU-DGCLKSJQSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000397032446 387534756 /nfs/dbraw/zinc/53/47/56/387534756.db2.gz MAEIELLXYRULBR-UKRRQHHQSA-N 2 2 247.386 2.319 20 0 BEADLP c1cn(CC[NH2+]C(C2CCC2)C2CCC2)c[nH+]1 ZINC000310516694 387538196 /nfs/dbraw/zinc/53/81/96/387538196.db2.gz RVNMEAQSFPNGHS-UHFFFAOYSA-N 2 2 233.359 2.442 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)CC2(F)CC2)C[C@H]1C ZINC000527219146 387539989 /nfs/dbraw/zinc/53/99/89/387539989.db2.gz IHRZLMUDOXDWIL-NEPJUHHUSA-N 2 2 228.355 2.293 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)CC2(F)CC2)C[C@H]1C ZINC000527219146 387539995 /nfs/dbraw/zinc/53/99/95/387539995.db2.gz IHRZLMUDOXDWIL-NEPJUHHUSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)CC2(F)CC2)C[C@H]1C ZINC000527219146 387539998 /nfs/dbraw/zinc/53/99/98/387539998.db2.gz IHRZLMUDOXDWIL-NEPJUHHUSA-N 2 2 228.355 2.293 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)CC2(F)CC2)C[C@H]1C ZINC000527219146 387540002 /nfs/dbraw/zinc/54/00/02/387540002.db2.gz IHRZLMUDOXDWIL-NEPJUHHUSA-N 2 2 228.355 2.293 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506207 387467032 /nfs/dbraw/zinc/46/70/32/387467032.db2.gz OMHPAKCOMPNDQD-HNNXBMFYSA-N 2 2 230.355 2.324 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC000361469967 387467624 /nfs/dbraw/zinc/46/76/24/387467624.db2.gz PSPYWBIUTBPGPY-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC000361469967 387467627 /nfs/dbraw/zinc/46/76/27/387467627.db2.gz PSPYWBIUTBPGPY-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)CC1CCC1 ZINC000361484274 387468208 /nfs/dbraw/zinc/46/82/08/387468208.db2.gz IPPDTJQPSXRNSI-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)CC1CCC1 ZINC000361484274 387468212 /nfs/dbraw/zinc/46/82/12/387468212.db2.gz IPPDTJQPSXRNSI-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+]CC[NH2+]C1CC1 ZINC000643507591 387477941 /nfs/dbraw/zinc/47/79/41/387477941.db2.gz JVOFHKOMBGNIRG-NSHDSACASA-N 2 2 236.334 2.098 20 0 BEADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507562 387478139 /nfs/dbraw/zinc/47/81/39/387478139.db2.gz IFAUIXRRLGPGEV-WFASDCNBSA-N 2 2 248.370 2.104 20 0 BEADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c(C)c1 ZINC000643508211 387482640 /nfs/dbraw/zinc/48/26/40/387482640.db2.gz TZDGKGJKBQCEDX-LBPRGKRZSA-N 2 2 248.370 2.406 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCOC[C@@H]2C)c[nH+]1 ZINC000355120533 387483010 /nfs/dbraw/zinc/48/30/10/387483010.db2.gz KBLNHAVWSHBRNH-WFASDCNBSA-N 2 2 248.370 2.337 20 0 BEADLP Oc1cccc2c1CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507351 387483914 /nfs/dbraw/zinc/48/39/14/387483914.db2.gz AJGBTTOUGNMEIG-CQSZACIVSA-N 2 2 246.354 2.111 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccnc1 ZINC000643507363 387484859 /nfs/dbraw/zinc/48/48/59/387484859.db2.gz AWJLCAOEJQIETG-AWEZNQCLSA-N 2 2 233.359 2.264 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396701558 387486617 /nfs/dbraw/zinc/48/66/17/387486617.db2.gz NFJZOLFJNSGMNI-IUODEOHRSA-N 2 2 232.371 2.479 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CSC[C@@H]1C ZINC000304557891 387492656 /nfs/dbraw/zinc/49/26/56/387492656.db2.gz VKNWLFOXISCDAC-XQQFMLRXSA-N 2 2 242.432 2.202 20 0 BEADLP CSC[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000399984578 387580599 /nfs/dbraw/zinc/58/05/99/387580599.db2.gz BBPNPOUHLZWRSJ-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP CSC[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000399984578 387580600 /nfs/dbraw/zinc/58/06/00/387580600.db2.gz BBPNPOUHLZWRSJ-NSHDSACASA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1C ZINC000355882791 387588899 /nfs/dbraw/zinc/58/88/99/387588899.db2.gz SLHQIAVTDHHKJT-NXEZZACHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1C ZINC000355882791 387588902 /nfs/dbraw/zinc/58/89/02/387588902.db2.gz SLHQIAVTDHHKJT-NXEZZACHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882791 387588905 /nfs/dbraw/zinc/58/89/05/387588905.db2.gz SLHQIAVTDHHKJT-NXEZZACHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1C ZINC000355882791 387588910 /nfs/dbraw/zinc/58/89/10/387588910.db2.gz SLHQIAVTDHHKJT-NXEZZACHSA-N 2 2 238.297 2.353 20 0 BEADLP Cc1nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)oc1C ZINC000123726507 387592488 /nfs/dbraw/zinc/59/24/88/387592488.db2.gz KBULAJDHQBGFCB-GFCCVEGCSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)oc1C ZINC000123726507 387592494 /nfs/dbraw/zinc/59/24/94/387592494.db2.gz KBULAJDHQBGFCB-GFCCVEGCSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s1 ZINC000643511761 387594301 /nfs/dbraw/zinc/59/43/01/387594301.db2.gz GPGWXOCUOBUMOO-PSASIEDQSA-N 2 2 227.377 2.085 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2cccnc21 ZINC000643511979 387594480 /nfs/dbraw/zinc/59/44/80/387594480.db2.gz YBDMSXJXARZUIV-OLZOCXBDSA-N 2 2 233.359 2.032 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(C)s1 ZINC000643512741 387596272 /nfs/dbraw/zinc/59/62/72/387596272.db2.gz WRBMMFBYUKSZAT-CPCISQLKSA-N 2 2 239.388 2.148 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000361926220 387552563 /nfs/dbraw/zinc/55/25/63/387552563.db2.gz QKIWNUZROBSWRE-AAEUAGOBSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000361926220 387552569 /nfs/dbraw/zinc/55/25/69/387552569.db2.gz QKIWNUZROBSWRE-AAEUAGOBSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527636202 387647297 /nfs/dbraw/zinc/64/72/97/387647297.db2.gz WYAWJJDGLSVKNP-QEJZJMRPSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671218 387654397 /nfs/dbraw/zinc/65/43/97/387654397.db2.gz VBPUGCIMEMWREO-JURCDPSOSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527671218 387654403 /nfs/dbraw/zinc/65/44/03/387654403.db2.gz VBPUGCIMEMWREO-JURCDPSOSA-N 2 2 236.403 2.352 20 0 BEADLP Cc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422753985 387657970 /nfs/dbraw/zinc/65/79/70/387657970.db2.gz JCUPDQWIOGUIRI-ZFWWWQNUSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422753983 387658241 /nfs/dbraw/zinc/65/82/41/387658241.db2.gz JCUPDQWIOGUIRI-UKRRQHHQSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)CCOCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000043619727 387659344 /nfs/dbraw/zinc/65/93/44/387659344.db2.gz XPMDIPCGHYBKTL-UONOGXRCSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000043619727 387659346 /nfs/dbraw/zinc/65/93/46/387659346.db2.gz XPMDIPCGHYBKTL-UONOGXRCSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654093 387662953 /nfs/dbraw/zinc/66/29/53/387662953.db2.gz PLGXQOWSNPTSNK-WCUVEOEZSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654093 387662957 /nfs/dbraw/zinc/66/29/57/387662957.db2.gz PLGXQOWSNPTSNK-WCUVEOEZSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]([NH2+]Cc1c(F)cccc1Cl)C1C[NH2+]C1 ZINC000422777290 387676053 /nfs/dbraw/zinc/67/60/53/387676053.db2.gz FHRRBGMDYPERLU-QMMMGPOBSA-N 2 2 242.725 2.177 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000422781020 387680409 /nfs/dbraw/zinc/68/04/09/387680409.db2.gz JZKPHQONTFDZSE-YUTCNCBUSA-N 2 2 233.359 2.263 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@@H+]1C1CC1 ZINC000527750669 387691648 /nfs/dbraw/zinc/69/16/48/387691648.db2.gz NIHQIQFYBGDWDH-AAEUAGOBSA-N 2 2 220.360 2.167 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2CC=CC2)C[N@H+]1C1CC1 ZINC000527750669 387691654 /nfs/dbraw/zinc/69/16/54/387691654.db2.gz NIHQIQFYBGDWDH-AAEUAGOBSA-N 2 2 220.360 2.167 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000643525338 387742845 /nfs/dbraw/zinc/74/28/45/387742845.db2.gz XPJOBZRPLRNXHQ-IACUBPJLSA-N 2 2 245.370 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)C2 ZINC000377803427 387749933 /nfs/dbraw/zinc/74/99/33/387749933.db2.gz WIBXDXAYAGQEBZ-QCNOEVLYSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000377803427 387749937 /nfs/dbraw/zinc/74/99/37/387749937.db2.gz WIBXDXAYAGQEBZ-QCNOEVLYSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)C2 ZINC000377803428 387750035 /nfs/dbraw/zinc/75/00/35/387750035.db2.gz WIBXDXAYAGQEBZ-YFKTTZPYSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000377803428 387750037 /nfs/dbraw/zinc/75/00/37/387750037.db2.gz WIBXDXAYAGQEBZ-YFKTTZPYSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)C2 ZINC000377803426 387750170 /nfs/dbraw/zinc/75/01/70/387750170.db2.gz WIBXDXAYAGQEBZ-NNYUYHANSA-N 2 2 231.343 2.045 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000377803426 387750180 /nfs/dbraw/zinc/75/01/80/387750180.db2.gz WIBXDXAYAGQEBZ-NNYUYHANSA-N 2 2 231.343 2.045 20 0 BEADLP CCOc1cc(C)ccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422869463 387750691 /nfs/dbraw/zinc/75/06/91/387750691.db2.gz AEFWIPDDBDCCSE-KGLIPLIRSA-N 2 2 248.370 2.363 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC12CC2 ZINC000527842485 387751145 /nfs/dbraw/zinc/75/11/45/387751145.db2.gz KIAMTKAFEXANOX-GHMZBOCLSA-N 2 2 210.365 2.105 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422872769 387752466 /nfs/dbraw/zinc/75/24/66/387752466.db2.gz INLSBAURZOQVEZ-OCCSQVGLSA-N 2 2 248.370 2.091 20 0 BEADLP CC[C@@H](F)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000440785531 387697080 /nfs/dbraw/zinc/69/70/80/387697080.db2.gz PNTDTRHNMRPLSR-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000440785531 387697083 /nfs/dbraw/zinc/69/70/83/387697083.db2.gz PNTDTRHNMRPLSR-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000440785531 387697087 /nfs/dbraw/zinc/69/70/87/387697087.db2.gz PNTDTRHNMRPLSR-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP CC[C@@H](F)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000440785531 387697090 /nfs/dbraw/zinc/69/70/90/387697090.db2.gz PNTDTRHNMRPLSR-NWDGAFQWSA-N 2 2 216.344 2.008 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422800004 387698950 /nfs/dbraw/zinc/69/89/50/387698950.db2.gz ZARKRKMVHFMGLL-KCPJHIHWSA-N 2 2 230.355 2.404 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000643521129 387710201 /nfs/dbraw/zinc/71/02/01/387710201.db2.gz FZMFPHLYKMEXAA-ATZCPNFKSA-N 2 2 239.388 2.100 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528774096 387735516 /nfs/dbraw/zinc/73/55/16/387735516.db2.gz SZDPWWDOKUJXSW-JTQLQIEISA-N 2 2 243.301 2.311 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527867415 387739604 /nfs/dbraw/zinc/73/96/04/387739604.db2.gz JREGCWIPOOIXNP-CZXHOFHRSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CC12CC2 ZINC000527867415 387739607 /nfs/dbraw/zinc/73/96/07/387739607.db2.gz JREGCWIPOOIXNP-CZXHOFHRSA-N 2 2 234.387 2.390 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000129103518 387764055 /nfs/dbraw/zinc/76/40/55/387764055.db2.gz OVVSVSHRIRGXHD-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000129103518 387764060 /nfs/dbraw/zinc/76/40/60/387764060.db2.gz OVVSVSHRIRGXHD-JSGCOSHPSA-N 2 2 245.370 2.105 20 0 BEADLP CC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(O)c1 ZINC000442646303 387811862 /nfs/dbraw/zinc/81/18/62/387811862.db2.gz GOIQORHMNMWVOO-WDEREUQCSA-N 2 2 222.332 2.122 20 0 BEADLP CC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1cccc(O)c1 ZINC000442646303 387811866 /nfs/dbraw/zinc/81/18/66/387811866.db2.gz GOIQORHMNMWVOO-WDEREUQCSA-N 2 2 222.332 2.122 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC000309506218 387812008 /nfs/dbraw/zinc/81/20/08/387812008.db2.gz VZBOYDTZHKNVSZ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC000309506218 387812012 /nfs/dbraw/zinc/81/20/12/387812012.db2.gz VZBOYDTZHKNVSZ-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)c1csc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])n1 ZINC000422897304 387766255 /nfs/dbraw/zinc/76/62/55/387766255.db2.gz ZJSHQXZVRDVVKG-UWVGGRQHSA-N 2 2 239.388 2.236 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000643528510 387770300 /nfs/dbraw/zinc/77/03/00/387770300.db2.gz KJFHOPFLSZINSW-HTQZYQBOSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000643528574 387770465 /nfs/dbraw/zinc/77/04/65/387770465.db2.gz LOSHUHWAUQCORY-RKDXNWHRSA-N 2 2 235.356 2.294 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000643528982 387772050 /nfs/dbraw/zinc/77/20/50/387772050.db2.gz SGRKZROYPFJZOI-ONGXEEELSA-N 2 2 222.332 2.230 20 0 BEADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])oc21 ZINC000643528751 387772453 /nfs/dbraw/zinc/77/24/53/387772453.db2.gz ODTNRJJXNFYXQP-VHSXEESVSA-N 2 2 248.326 2.439 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2cccnc21 ZINC000643530003 387781571 /nfs/dbraw/zinc/78/15/71/387781571.db2.gz WPXWBCBQATVLRD-YPMHNXCESA-N 2 2 233.359 2.047 20 0 BEADLP CC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000442646300 387812527 /nfs/dbraw/zinc/81/25/27/387812527.db2.gz GOIQORHMNMWVOO-MNOVXSKESA-N 2 2 222.332 2.122 20 0 BEADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1cccc(O)c1 ZINC000442646300 387812530 /nfs/dbraw/zinc/81/25/30/387812530.db2.gz GOIQORHMNMWVOO-MNOVXSKESA-N 2 2 222.332 2.122 20 0 BEADLP COc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000527913754 387786775 /nfs/dbraw/zinc/78/67/75/387786775.db2.gz JWEXVOUDDQLWCA-NEPJUHHUSA-N 2 2 249.358 2.375 20 0 BEADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000050243287 387793094 /nfs/dbraw/zinc/79/30/94/387793094.db2.gz QPAPEMFUDBQEAT-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000050243287 387793099 /nfs/dbraw/zinc/79/30/99/387793099.db2.gz QPAPEMFUDBQEAT-CQSZACIVSA-N 2 2 248.370 2.105 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422997438 387802932 /nfs/dbraw/zinc/80/29/32/387802932.db2.gz BANCUGRXTMUJHJ-WFASDCNBSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000442649824 387808400 /nfs/dbraw/zinc/80/84/00/387808400.db2.gz NIUMOUVTSLBMOP-BXUZGUMPSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000442649824 387808403 /nfs/dbraw/zinc/80/84/03/387808403.db2.gz NIUMOUVTSLBMOP-BXUZGUMPSA-N 2 2 236.334 2.180 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccccc1F ZINC000643527837 387757973 /nfs/dbraw/zinc/75/79/73/387757973.db2.gz UAHBLUQFLRYAMA-CABZTGNLSA-N 2 2 210.296 2.214 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1F ZINC000643527836 387758638 /nfs/dbraw/zinc/75/86/38/387758638.db2.gz UAHBLUQFLRYAMA-BXKDBHETSA-N 2 2 210.296 2.214 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@H+](C)C1CC1 ZINC000527857948 387758687 /nfs/dbraw/zinc/75/86/87/387758687.db2.gz FUUJPKAAPVQUPO-GMXVVIOVSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)[N@@H+](C)C1CC1 ZINC000527857948 387758690 /nfs/dbraw/zinc/75/86/90/387758690.db2.gz FUUJPKAAPVQUPO-GMXVVIOVSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cc(C)ccc1OC ZINC000643527034 387760031 /nfs/dbraw/zinc/76/00/31/387760031.db2.gz BYAAWJNACQEVOT-YPMHNXCESA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010200 387822315 /nfs/dbraw/zinc/82/23/15/387822315.db2.gz JGGOOTFJKKEOIK-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010200 387822320 /nfs/dbraw/zinc/82/23/20/387822320.db2.gz JGGOOTFJKKEOIK-AAEUAGOBSA-N 2 2 210.365 2.391 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015532 387823470 /nfs/dbraw/zinc/82/34/70/387823470.db2.gz YMZZIKLAJQFBAZ-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015532 387823477 /nfs/dbraw/zinc/82/34/77/387823477.db2.gz YMZZIKLAJQFBAZ-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423016238 387838651 /nfs/dbraw/zinc/83/86/51/387838651.db2.gz SKRYVDXFQVOXOG-LSDHHAIUSA-N 3 2 247.386 2.182 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423044444 387854989 /nfs/dbraw/zinc/85/49/89/387854989.db2.gz ANVYXTOULOYTLW-AEJSXWLSSA-N 2 2 238.297 2.305 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC000643536480 387868033 /nfs/dbraw/zinc/86/80/33/387868033.db2.gz RRRWWKMYDRHYIN-YDHLFZDLSA-N 2 2 248.345 2.354 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309520404 387815631 /nfs/dbraw/zinc/81/56/31/387815631.db2.gz ZXMTUFPOHADOER-BNOWGMLFSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000309520404 387815635 /nfs/dbraw/zinc/81/56/35/387815635.db2.gz ZXMTUFPOHADOER-BNOWGMLFSA-N 2 2 222.376 2.106 20 0 BEADLP CC[C@@H](CNc1cc(C)[nH+]c(C)n1)[NH+]1CCCC1 ZINC000192811912 387891411 /nfs/dbraw/zinc/89/14/11/387891411.db2.gz JLPGUFUIYNUMPP-ZDUSSCGKSA-N 2 2 248.374 2.380 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1C(C)(C)C1(C)C ZINC000643537301 387875476 /nfs/dbraw/zinc/87/54/76/387875476.db2.gz DQYPRADYIFWKAE-DCAQKATOSA-N 2 2 242.382 2.347 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[C@H]1C ZINC000643538388 387876348 /nfs/dbraw/zinc/87/63/48/387876348.db2.gz JBPFMFCQPQLNME-PEBLQZBPSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538773 387878279 /nfs/dbraw/zinc/87/82/79/387878279.db2.gz UXSWAPMZYYTYIN-NOOOWODRSA-N 2 2 228.355 2.101 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000643538580 387878370 /nfs/dbraw/zinc/87/83/70/387878370.db2.gz OAFYXNWWRLVGPT-STQMWFEESA-N 2 2 240.366 2.245 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000643540442 387880834 /nfs/dbraw/zinc/88/08/34/387880834.db2.gz IAVLFMUFWDXBRR-OIBJUYFYSA-N 2 2 227.377 2.148 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c(C)s1 ZINC000643539869 387881868 /nfs/dbraw/zinc/88/18/68/387881868.db2.gz IUQYOWSMXHHVAD-RNJXMRFFSA-N 2 2 227.377 2.146 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000643540622 387882305 /nfs/dbraw/zinc/88/23/05/387882305.db2.gz YRKOZOBJLHPOSM-ZANVPECISA-N 2 2 240.297 2.279 20 0 BEADLP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)C(F)(F)F ZINC000423119836 387900564 /nfs/dbraw/zinc/90/05/64/387900564.db2.gz FNXSKGHXTVLDTK-AFPNSQJFSA-N 2 2 224.270 2.044 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1C[C@@H]1C ZINC000321153030 387952753 /nfs/dbraw/zinc/95/27/53/387952753.db2.gz WLISNLOWYLUVIV-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685831 387942799 /nfs/dbraw/zinc/94/27/99/387942799.db2.gz PVZMCGVIMMPUNC-CHWSQXEVSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685831 387942803 /nfs/dbraw/zinc/94/28/03/387942803.db2.gz PVZMCGVIMMPUNC-CHWSQXEVSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000393785542 387943481 /nfs/dbraw/zinc/94/34/81/387943481.db2.gz XKIZZANCYCWAPA-TUAOUCFPSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[NH3+])c2ccccc2O1 ZINC000423165455 387947214 /nfs/dbraw/zinc/94/72/14/387947214.db2.gz XYQCQQNFOBPDOV-YXCITZCRSA-N 2 2 246.354 2.368 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173033 387960792 /nfs/dbraw/zinc/96/07/92/387960792.db2.gz WRPYSHABGRTBPP-BQPHKTIFSA-N 2 2 248.345 2.269 20 0 BEADLP CC(C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094559 387964194 /nfs/dbraw/zinc/96/41/94/387964194.db2.gz LQDWSBJPZXMUOJ-LBPRGKRZSA-N 2 2 209.337 2.297 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccccc1OC(F)(F)F ZINC000423178739 387964652 /nfs/dbraw/zinc/96/46/52/387964652.db2.gz IJNQWTBLZODZKB-QMMMGPOBSA-N 2 2 248.248 2.195 20 0 BEADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC[NH3+] ZINC000423186428 387971789 /nfs/dbraw/zinc/97/17/89/387971789.db2.gz ODAPHNFVZPBPEE-QMMMGPOBSA-N 2 2 227.377 2.184 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295620 387957201 /nfs/dbraw/zinc/95/72/01/387957201.db2.gz PVURWBDBSMYFCV-XTBFLFJDSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295620 387957205 /nfs/dbraw/zinc/95/72/05/387957205.db2.gz PVURWBDBSMYFCV-XTBFLFJDSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295619 387957252 /nfs/dbraw/zinc/95/72/52/387957252.db2.gz PVURWBDBSMYFCV-SHPPOPEUSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424295619 387957257 /nfs/dbraw/zinc/95/72/57/387957257.db2.gz PVURWBDBSMYFCV-SHPPOPEUSA-N 2 2 248.414 2.495 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000438825127 387957321 /nfs/dbraw/zinc/95/73/21/387957321.db2.gz HIYSYIZTBMXFIG-NEPJUHHUSA-N 2 2 249.358 2.118 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)no1 ZINC000438825127 387957324 /nfs/dbraw/zinc/95/73/24/387957324.db2.gz HIYSYIZTBMXFIG-NEPJUHHUSA-N 2 2 249.358 2.118 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453079019 387980646 /nfs/dbraw/zinc/98/06/46/387980646.db2.gz OAMCKZIQADYUKF-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453079019 387980649 /nfs/dbraw/zinc/98/06/49/387980649.db2.gz OAMCKZIQADYUKF-AWEZNQCLSA-N 2 2 249.402 2.334 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000453078125 387980733 /nfs/dbraw/zinc/98/07/33/387980733.db2.gz XHIJABZSUVWAEF-KGLIPLIRSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccncc1 ZINC000453078125 387980737 /nfs/dbraw/zinc/98/07/37/387980737.db2.gz XHIJABZSUVWAEF-KGLIPLIRSA-N 2 2 233.359 2.217 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196009 387981559 /nfs/dbraw/zinc/98/15/59/387981559.db2.gz UHHHHBGVJIOOFO-AAEUAGOBSA-N 2 2 233.359 2.047 20 0 BEADLP c1cn(CC[NH2+][C@H](c2cccnc2)C2CC2)c[nH+]1 ZINC000445821142 387972614 /nfs/dbraw/zinc/97/26/14/387972614.db2.gz VXVJNDYZZGJCSV-AWEZNQCLSA-N 2 2 242.326 2.019 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423188613 387973593 /nfs/dbraw/zinc/97/35/93/387973593.db2.gz LULMUTRLZFXGQC-CHWSQXEVSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)n1 ZINC000424369773 387993844 /nfs/dbraw/zinc/99/38/44/387993844.db2.gz CKFWJJBXVCSYLL-ZLKJLUDKSA-N 2 2 248.374 2.014 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424369079 387994840 /nfs/dbraw/zinc/99/48/40/387994840.db2.gz BBEOEHVYCLFBLC-RFGFWPKPSA-N 2 2 234.318 2.093 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cncs1 ZINC000424368863 387995347 /nfs/dbraw/zinc/99/53/47/387995347.db2.gz AQQCGSHOOLUSAU-IVZWLZJFSA-N 2 2 225.361 2.064 20 0 BEADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCCC1)[NH+](C)C ZINC000453107571 387986452 /nfs/dbraw/zinc/98/64/52/387986452.db2.gz LIQLHYFIYABCSP-RISCZKNCSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCCC1)[NH+](C)C ZINC000453107568 387986518 /nfs/dbraw/zinc/98/65/18/387986518.db2.gz LIQLHYFIYABCSP-BXUZGUMPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000423217947 387999016 /nfs/dbraw/zinc/99/90/16/387999016.db2.gz SWGSOXITBAHGSF-ZIAGYGMSSA-N 2 2 218.344 2.398 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217491 388000198 /nfs/dbraw/zinc/00/01/98/388000198.db2.gz PXKXNTHKFZFLFQ-UWVGGRQHSA-N 2 2 219.332 2.192 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000423222273 388001412 /nfs/dbraw/zinc/00/14/12/388001412.db2.gz ALLFNDDCBDDXAJ-LLVKDONJSA-N 2 2 222.357 2.033 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000423223166 388003899 /nfs/dbraw/zinc/00/38/99/388003899.db2.gz FDNOOAHVCBXSHJ-CYBMUJFWSA-N 2 2 222.307 2.012 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423222574 388003911 /nfs/dbraw/zinc/00/39/11/388003911.db2.gz BSEUXTAOJCOLPE-VIFPVBQESA-N 2 2 212.724 2.210 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C)c1cc(C)ccc1OC ZINC000423227120 388011088 /nfs/dbraw/zinc/01/10/88/388011088.db2.gz UNXCWKUHDYVPPE-CYBMUJFWSA-N 2 2 236.359 2.264 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423224605 388006304 /nfs/dbraw/zinc/00/63/04/388006304.db2.gz JMWVWHHYNDNORO-QMMMGPOBSA-N 2 2 230.714 2.349 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000423225159 388007435 /nfs/dbraw/zinc/00/74/35/388007435.db2.gz LNPDNJPYMQVUPM-FZMZJTMJSA-N 2 2 218.344 2.434 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1sccc1OC ZINC000423239987 388024008 /nfs/dbraw/zinc/02/40/08/388024008.db2.gz GNTPRJVIKAAIHQ-SECBINFHSA-N 2 2 228.361 2.017 20 0 BEADLP COCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423240711 388024286 /nfs/dbraw/zinc/02/42/86/388024286.db2.gz KYMZDXYHAKSOEX-OCCSQVGLSA-N 2 2 236.359 2.091 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423241448 388024586 /nfs/dbraw/zinc/02/45/86/388024586.db2.gz IGEDSHVWXRDLQD-OAHLLOKOSA-N 2 2 248.370 2.272 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000423227237 388011446 /nfs/dbraw/zinc/01/14/46/388011446.db2.gz VAGMNGBNXGUAAD-IINYFYTJSA-N 2 2 236.334 2.258 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CC[NH2+]C)s1 ZINC000423228294 388014225 /nfs/dbraw/zinc/01/42/25/388014225.db2.gz ZAWZKUQAQBXYTO-VIFPVBQESA-N 2 2 212.362 2.181 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccnc1 ZINC000423229104 388015467 /nfs/dbraw/zinc/01/54/67/388015467.db2.gz AHKSAJJTVAGYRT-UONOGXRCSA-N 2 2 233.359 2.264 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000423235535 388018480 /nfs/dbraw/zinc/01/84/80/388018480.db2.gz NHCJQVFIXBKQFB-CHWSQXEVSA-N 2 2 248.370 2.406 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1CCCOC1 ZINC000423233676 388018663 /nfs/dbraw/zinc/01/86/63/388018663.db2.gz DZSLOSJRUGGPGW-QEJZJMRPSA-N 2 2 248.370 2.091 20 0 BEADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237182 388020189 /nfs/dbraw/zinc/02/01/89/388020189.db2.gz PLWGVBNKRCAESR-SNPRPXQTSA-N 2 2 248.370 2.104 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]C)c1ccsc1 ZINC000423237796 388020945 /nfs/dbraw/zinc/02/09/45/388020945.db2.gz DUWVIKKBZWKZTJ-LLVKDONJSA-N 2 2 212.362 2.398 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423243864 388026083 /nfs/dbraw/zinc/02/60/83/388026083.db2.gz KPQMHFFROZKXEZ-HZMBPMFUSA-N 2 2 236.334 2.258 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000423237470 388021386 /nfs/dbraw/zinc/02/13/86/388021386.db2.gz DJEDGKQIMMCRDF-AWEZNQCLSA-N 2 2 248.370 2.227 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423239938 388022959 /nfs/dbraw/zinc/02/29/59/388022959.db2.gz GJQSMHCZPHSZQS-JTQLQIEISA-N 2 2 240.322 2.094 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423249090 388032217 /nfs/dbraw/zinc/03/22/17/388032217.db2.gz SQZYBWWOHSPJCA-IUODEOHRSA-N 2 2 241.338 2.432 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cncs1 ZINC000423251437 388032963 /nfs/dbraw/zinc/03/29/63/388032963.db2.gz WEYMPEFNHSRYLM-ZYHUDNBSSA-N 2 2 247.367 2.494 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000423251573 388033202 /nfs/dbraw/zinc/03/32/02/388033202.db2.gz WDLKQBSQIYKXFM-AWEZNQCLSA-N 2 2 236.334 2.402 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnccn1 ZINC000423259404 388038618 /nfs/dbraw/zinc/03/86/18/388038618.db2.gz DRJOSCQLSVOPLE-AAEUAGOBSA-N 2 2 248.374 2.035 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccncn1 ZINC000423259352 388038970 /nfs/dbraw/zinc/03/89/70/388038970.db2.gz DOAYIUYSPBMQJG-FZMZJTMJSA-N 2 2 248.374 2.035 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423258781 388039367 /nfs/dbraw/zinc/03/93/67/388039367.db2.gz CJJJXEFSUWOTTP-CHWSQXEVSA-N 2 2 235.375 2.414 20 0 BEADLP C[NH+](C)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000082862538 388043361 /nfs/dbraw/zinc/04/33/61/388043361.db2.gz VDVRVFJWMQQGMO-UHFFFAOYSA-N 2 2 238.297 2.259 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000423243243 388026607 /nfs/dbraw/zinc/02/66/07/388026607.db2.gz JVIUBTMKCSFBDD-CYBMUJFWSA-N 2 2 224.323 2.476 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423245290 388027662 /nfs/dbraw/zinc/02/76/62/388027662.db2.gz MFUXJGGEXMWYAT-AWEZNQCLSA-N 2 2 236.359 2.345 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000423245922 388029008 /nfs/dbraw/zinc/02/90/08/388029008.db2.gz MQVMOOSWAYWJIO-JTQLQIEISA-N 2 2 210.296 2.086 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423249093 388031373 /nfs/dbraw/zinc/03/13/73/388031373.db2.gz SQZYBWWOHSPJCA-WFASDCNBSA-N 2 2 241.338 2.432 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccnc1 ZINC000423249089 388031785 /nfs/dbraw/zinc/03/17/85/388031785.db2.gz SQZYBWWOHSPJCA-DOMZBBRYSA-N 2 2 241.338 2.432 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C ZINC000423272501 388051188 /nfs/dbraw/zinc/05/11/88/388051188.db2.gz YYSZZWVXGKNIIS-AAEUAGOBSA-N 2 2 236.359 2.329 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453336197 388051325 /nfs/dbraw/zinc/05/13/25/388051325.db2.gz AWFAROBQKGWLPU-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453336197 388051330 /nfs/dbraw/zinc/05/13/30/388051330.db2.gz AWFAROBQKGWLPU-LOWVWBTDSA-N 2 2 210.365 2.105 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423273051 388052759 /nfs/dbraw/zinc/05/27/59/388052759.db2.gz KFUMAEGUUPYKIQ-DGCLKSJQSA-N 2 2 235.375 2.278 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)o1 ZINC000423277162 388059143 /nfs/dbraw/zinc/05/91/43/388059143.db2.gz NTQMGPFHHPATBY-BXKDBHETSA-N 2 2 222.332 2.230 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000423278864 388060351 /nfs/dbraw/zinc/06/03/51/388060351.db2.gz REOBADHEEBWLIB-ZWNOBZJWSA-N 2 2 222.332 2.026 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423281670 388063287 /nfs/dbraw/zinc/06/32/87/388063287.db2.gz UIPOFSYHDRNIHE-RNCFNFMXSA-N 2 2 222.307 2.214 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(F)cn1 ZINC000423285641 388069247 /nfs/dbraw/zinc/06/92/47/388069247.db2.gz ZMQJLVGNYLTCQV-NEPJUHHUSA-N 2 2 239.338 2.245 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cncs1 ZINC000423288534 388073097 /nfs/dbraw/zinc/07/30/97/388073097.db2.gz SPFWRFHZUIJHFH-SECBINFHSA-N 2 2 227.377 2.311 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC(C)(C)[NH3+])oc1C ZINC000423289357 388074337 /nfs/dbraw/zinc/07/43/37/388074337.db2.gz WYLLQUTWYNFNOD-SECBINFHSA-N 2 2 210.321 2.284 20 0 BEADLP CC(C)C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccn1 ZINC000423288904 388075143 /nfs/dbraw/zinc/07/51/43/388075143.db2.gz VRCCFLLDXQAKQN-CYBMUJFWSA-N 2 2 235.375 2.496 20 0 BEADLP c1oc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000084511085 388079029 /nfs/dbraw/zinc/07/90/29/388079029.db2.gz WQHAVTHPEGNWAQ-GFCCVEGCSA-N 2 2 230.311 2.274 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000084487068 388079396 /nfs/dbraw/zinc/07/93/96/388079396.db2.gz CFBORUUZNMNLBF-AWEZNQCLSA-N 2 2 218.344 2.091 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1(C)C ZINC000085398336 388087122 /nfs/dbraw/zinc/08/71/22/388087122.db2.gz SSAYSBMBPPRAPI-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1(C)C ZINC000085398336 388087125 /nfs/dbraw/zinc/08/71/25/388087125.db2.gz SSAYSBMBPPRAPI-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1(C)C ZINC000085398335 388087364 /nfs/dbraw/zinc/08/73/64/388087364.db2.gz SSAYSBMBPPRAPI-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1(C)C ZINC000085398335 388087367 /nfs/dbraw/zinc/08/73/67/388087367.db2.gz SSAYSBMBPPRAPI-CHWSQXEVSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453622941 388094189 /nfs/dbraw/zinc/09/41/89/388094189.db2.gz BANIYTSANNZFQI-HIFRSBDPSA-N 2 2 248.370 2.480 20 0 BEADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086725318 388107792 /nfs/dbraw/zinc/10/77/92/388107792.db2.gz ZGIBSIVMHHFKGV-TZMCWYRMSA-N 2 2 216.328 2.016 20 0 BEADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000086727312 388108443 /nfs/dbraw/zinc/10/84/43/388108443.db2.gz WOOJKKMUDSWRAC-KGLIPLIRSA-N 2 2 218.344 2.479 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCOCC1)[NH+](C)C ZINC000086870172 388109173 /nfs/dbraw/zinc/10/91/73/388109173.db2.gz SYLXBWDWPQEULY-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000083368269 388049455 /nfs/dbraw/zinc/04/94/55/388049455.db2.gz BPFPXOJUIAHDTD-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000449191988 388155809 /nfs/dbraw/zinc/15/58/09/388155809.db2.gz PZVCFHDVNANVLN-XBFCOCLRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000449191988 388155811 /nfs/dbraw/zinc/15/58/11/388155811.db2.gz PZVCFHDVNANVLN-XBFCOCLRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](CO)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000449379138 388187653 /nfs/dbraw/zinc/18/76/53/388187653.db2.gz ZNXCBTGKOKQNAG-CQSZACIVSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@H](CO)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000449379138 388187655 /nfs/dbraw/zinc/18/76/55/388187655.db2.gz ZNXCBTGKOKQNAG-CQSZACIVSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000449260209 388164154 /nfs/dbraw/zinc/16/41/54/388164154.db2.gz VIAWCKLWPRPJQL-OLZOCXBDSA-N 2 2 233.359 2.366 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000449074034 388136511 /nfs/dbraw/zinc/13/65/11/388136511.db2.gz BDQOKZGJLRCLOH-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000449074034 388136513 /nfs/dbraw/zinc/13/65/13/388136513.db2.gz BDQOKZGJLRCLOH-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cccc(CC[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000449072340 388139021 /nfs/dbraw/zinc/13/90/21/388139021.db2.gz FFHSKWJNZBOMIX-CQSZACIVSA-N 2 2 243.354 2.412 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CSC[C@H]1C)[NH+]1CCCC1 ZINC000449078017 388139633 /nfs/dbraw/zinc/13/96/33/388139633.db2.gz TVCNPCDSNSZGSE-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000449089495 388141490 /nfs/dbraw/zinc/14/14/90/388141490.db2.gz KSUMSJKILRZZBU-RISCZKNCSA-N 2 2 236.359 2.140 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1(C)CC1 ZINC000165168525 388250918 /nfs/dbraw/zinc/25/09/18/388250918.db2.gz IKZMVXKDIOFHKE-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165145762 388251067 /nfs/dbraw/zinc/25/10/67/388251067.db2.gz SIZWGJBMCGDMFN-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165160043 388251490 /nfs/dbraw/zinc/25/14/90/388251490.db2.gz GLEBLLLYLRCBRB-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449484403 388216259 /nfs/dbraw/zinc/21/62/59/388216259.db2.gz MGEQYQXJUUVEHX-NEPJUHHUSA-N 2 2 229.327 2.470 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449487070 388216957 /nfs/dbraw/zinc/21/69/57/388216957.db2.gz WTYWOZQKGHWLTI-KZVDOYCCSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449487070 388216959 /nfs/dbraw/zinc/21/69/59/388216959.db2.gz WTYWOZQKGHWLTI-KZVDOYCCSA-N 2 2 222.376 2.105 20 0 BEADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)[C@H](C)O ZINC000449540145 388227012 /nfs/dbraw/zinc/22/70/12/388227012.db2.gz IZFUQNCCODFMPV-JSGCOSHPSA-N 2 2 236.359 2.072 20 0 BEADLP CC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000164453159 388238566 /nfs/dbraw/zinc/23/85/66/388238566.db2.gz DFINWIQRWUXUFT-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000164453159 388238567 /nfs/dbraw/zinc/23/85/67/388238567.db2.gz DFINWIQRWUXUFT-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2COCC2(C)C)c[nH+]1 ZINC000449624385 388244973 /nfs/dbraw/zinc/24/49/73/388244973.db2.gz OGLSEQHZLIONFV-CQSZACIVSA-N 2 2 248.370 2.337 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000415012334 256630567 /nfs/dbraw/zinc/63/05/67/256630567.db2.gz SISSAAOKPWEXKX-HTQZYQBOSA-N 2 2 230.714 2.304 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H](C)C[NH3+])c(C)s1 ZINC000261529908 135156470 /nfs/dbraw/zinc/15/64/70/135156470.db2.gz BTBKNAHKBWMYCH-QMMMGPOBSA-N 2 2 212.362 2.144 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000233476071 388347357 /nfs/dbraw/zinc/34/73/57/388347357.db2.gz GIWZAELPCHDQOS-JXQTWKCFSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000233476071 388347359 /nfs/dbraw/zinc/34/73/59/388347359.db2.gz GIWZAELPCHDQOS-JXQTWKCFSA-N 2 2 224.392 2.495 20 0 BEADLP CCS[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000233849844 388349815 /nfs/dbraw/zinc/34/98/15/388349815.db2.gz YXFZPYQZLLIKOB-GHMZBOCLSA-N 2 2 225.361 2.174 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000235516215 388370741 /nfs/dbraw/zinc/37/07/41/388370741.db2.gz QAJNVHJQDFVOAG-GXTWGEPZSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000235516106 388370752 /nfs/dbraw/zinc/37/07/52/388370752.db2.gz NHFXSDIDKPNQCY-WDEREUQCSA-N 2 2 224.373 2.459 20 0 BEADLP C[C@H](C[NH2+]Cc1c(F)cccc1F)C[NH+](C)C ZINC000291639883 388376632 /nfs/dbraw/zinc/37/66/32/388376632.db2.gz BILWRWBPIZNGHC-SNVBAGLBSA-N 2 2 242.313 2.252 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc(C(F)F)c1 ZINC000300790425 388393720 /nfs/dbraw/zinc/39/37/20/388393720.db2.gz HICZCKQIMXYJMR-UHFFFAOYSA-N 2 2 228.286 2.405 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc(C(F)F)c1 ZINC000300790425 388393721 /nfs/dbraw/zinc/39/37/21/388393721.db2.gz HICZCKQIMXYJMR-UHFFFAOYSA-N 2 2 228.286 2.405 20 0 BEADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(F)CC2)C1 ZINC000525978728 388441858 /nfs/dbraw/zinc/44/18/58/388441858.db2.gz ZSFZCHUYLHXOBD-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(F)CC2)C1 ZINC000525978728 388441860 /nfs/dbraw/zinc/44/18/60/388441860.db2.gz ZSFZCHUYLHXOBD-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(F)CC2)C1 ZINC000525978728 388441862 /nfs/dbraw/zinc/44/18/62/388441862.db2.gz ZSFZCHUYLHXOBD-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(F)CC2)C1 ZINC000525978728 388441863 /nfs/dbraw/zinc/44/18/63/388441863.db2.gz ZSFZCHUYLHXOBD-GFCCVEGCSA-N 2 2 228.355 2.152 20 0 BEADLP CCC[C@@H]([NH2+]CC[N@H+](C)CCOC)C1CCC1 ZINC000322720780 388445002 /nfs/dbraw/zinc/44/50/02/388445002.db2.gz SXPQLPZPQPGORU-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@@H]([NH2+]CC[N@@H+](C)CCOC)C1CCC1 ZINC000322720780 388445003 /nfs/dbraw/zinc/44/50/03/388445003.db2.gz SXPQLPZPQPGORU-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCC[C@H](C)C[NH2+]C(C)(C)C[NH+](C)C ZINC000308609868 388445466 /nfs/dbraw/zinc/44/54/66/388445466.db2.gz SZAKCGUIFFEWEF-NSHDSACASA-N 2 2 200.370 2.352 20 0 BEADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1(F)CC1 ZINC000525981147 388445599 /nfs/dbraw/zinc/44/55/99/388445599.db2.gz WIKFLPDUHXJPGM-UHFFFAOYSA-N 2 2 247.317 2.436 20 0 BEADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000322833730 388448524 /nfs/dbraw/zinc/44/85/24/388448524.db2.gz JPPOFFDTFBAJMA-CYBMUJFWSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[N@H+](C)C1CC1 ZINC000336697831 388464302 /nfs/dbraw/zinc/46/43/02/388464302.db2.gz OKBNICWGXJKDRM-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[N@@H+](C)C1CC1 ZINC000336697831 388464304 /nfs/dbraw/zinc/46/43/04/388464304.db2.gz OKBNICWGXJKDRM-JQWIXIFHSA-N 2 2 210.365 2.247 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336703127 388465549 /nfs/dbraw/zinc/46/55/49/388465549.db2.gz QIJWIZOSUYZRHM-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336703127 388465550 /nfs/dbraw/zinc/46/55/50/388465550.db2.gz QIJWIZOSUYZRHM-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+](C)C ZINC000336729428 388469986 /nfs/dbraw/zinc/46/99/86/388469986.db2.gz DBVXYFNVDBOBMG-WHXUTIOJSA-N 2 2 234.334 2.350 20 0 BEADLP C[C@H](C[NH2+]C1CCC(C(F)F)CC1)[NH+](C)C ZINC000336729426 388470372 /nfs/dbraw/zinc/47/03/72/388470372.db2.gz DBVXYFNVDBOBMG-KPPDAEKUSA-N 2 2 234.334 2.350 20 0 BEADLP CCC1CC([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000336731197 388470880 /nfs/dbraw/zinc/47/08/80/388470880.db2.gz KNQCIEYLVVZFKR-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000328225880 388407716 /nfs/dbraw/zinc/40/77/16/388407716.db2.gz BSGUJLQZQPYNFD-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000328225880 388407720 /nfs/dbraw/zinc/40/77/20/388407720.db2.gz BSGUJLQZQPYNFD-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000322336140 388432492 /nfs/dbraw/zinc/43/24/92/388432492.db2.gz AIICRIWLWMOZFD-LBPRGKRZSA-N 2 2 207.321 2.051 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322368512 388433644 /nfs/dbraw/zinc/43/36/44/388433644.db2.gz ISSVEFGBRIFQBN-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000322368512 388433647 /nfs/dbraw/zinc/43/36/47/388433647.db2.gz ISSVEFGBRIFQBN-STQMWFEESA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC1 ZINC000322445155 388434926 /nfs/dbraw/zinc/43/49/26/388434926.db2.gz GMUKPBCFJMKXSQ-AAEUAGOBSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)CF ZINC000290195406 388438839 /nfs/dbraw/zinc/43/88/39/388438839.db2.gz PEQWHHGPHMCIRC-NSHDSACASA-N 2 2 210.296 2.270 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000397766803 388497390 /nfs/dbraw/zinc/49/73/90/388497390.db2.gz KCJHRBBKLZNOOL-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CCC[C@@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397768489 388498234 /nfs/dbraw/zinc/49/82/34/388498234.db2.gz KRLHVFNICZVDQQ-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397867395 388507143 /nfs/dbraw/zinc/50/71/43/388507143.db2.gz AMJAVJILXSKAEQ-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000397888988 388509267 /nfs/dbraw/zinc/50/92/67/388509267.db2.gz NTYHXAYKROWDNF-WDEREUQCSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1C[C@H]1C ZINC000397898104 388509730 /nfs/dbraw/zinc/50/97/30/388509730.db2.gz SARZNRGKTVYLSH-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000398066151 388516391 /nfs/dbraw/zinc/51/63/91/388516391.db2.gz NUWKFZKFGAXUJH-ABAIWWIYSA-N 2 2 230.355 2.262 20 0 BEADLP C/C(Cl)=C\C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528430865 388523707 /nfs/dbraw/zinc/52/37/07/388523707.db2.gz XCVAZICBBQICNK-LFJXOHPOSA-N 2 2 239.750 2.352 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528430865 388523711 /nfs/dbraw/zinc/52/37/11/388523711.db2.gz XCVAZICBBQICNK-LFJXOHPOSA-N 2 2 239.750 2.352 20 0 BEADLP CO[C@@H](C[N@H+](C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173184 388594553 /nfs/dbraw/zinc/59/45/53/388594553.db2.gz DVCTYFSWQIJUBA-CABCVRRESA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@@H](C[N@@H+](C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000379173184 388594555 /nfs/dbraw/zinc/59/45/55/388594555.db2.gz DVCTYFSWQIJUBA-CABCVRRESA-N 2 2 248.370 2.043 20 0 BEADLP CC(C)CCC[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000220701914 388606046 /nfs/dbraw/zinc/60/60/46/388606046.db2.gz QOGVYHLZAACXOG-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000220701914 388606048 /nfs/dbraw/zinc/60/60/48/388606048.db2.gz QOGVYHLZAACXOG-LBPRGKRZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000245942219 388611681 /nfs/dbraw/zinc/61/16/81/388611681.db2.gz UTUPKJXRGBYQJR-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000245942219 388611683 /nfs/dbraw/zinc/61/16/83/388611683.db2.gz UTUPKJXRGBYQJR-STQMWFEESA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548635101 388551039 /nfs/dbraw/zinc/55/10/39/388551039.db2.gz YLTWDMSDTAZXGG-JSGCOSHPSA-N 2 2 233.359 2.222 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884823 388568455 /nfs/dbraw/zinc/56/84/55/388568455.db2.gz IWAJLQOTMUQCDD-BJBXXJATSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884823 388568458 /nfs/dbraw/zinc/56/84/58/388568458.db2.gz IWAJLQOTMUQCDD-BJBXXJATSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1CC(F)(F)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000528772710 388571706 /nfs/dbraw/zinc/57/17/06/388571706.db2.gz NACZWVSWEFFQTA-JTQLQIEISA-N 2 2 243.301 2.082 20 0 BEADLP C[C@H]1CC(F)(F)CC[N@H+]1CCc1c[nH+]cn1C ZINC000528772710 388571708 /nfs/dbraw/zinc/57/17/08/388571708.db2.gz NACZWVSWEFFQTA-JTQLQIEISA-N 2 2 243.301 2.082 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000125587890 388673188 /nfs/dbraw/zinc/67/31/88/388673188.db2.gz GISBPGOTUDRTPD-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530176637 388620222 /nfs/dbraw/zinc/62/02/22/388620222.db2.gz DTERREZDRPNNPS-AWEZNQCLSA-N 2 2 230.355 2.369 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)s1 ZINC000530178688 388621533 /nfs/dbraw/zinc/62/15/33/388621533.db2.gz QEZFFUMNLXTCMW-LBPRGKRZSA-N 2 2 236.384 2.431 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154515206 388625222 /nfs/dbraw/zinc/62/52/22/388625222.db2.gz FLGDCWFQDWPZMZ-YPMHNXCESA-N 2 2 238.400 2.363 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154515206 388625224 /nfs/dbraw/zinc/62/52/24/388625224.db2.gz FLGDCWFQDWPZMZ-YPMHNXCESA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CF)n2c1 ZINC000288455026 388627173 /nfs/dbraw/zinc/62/71/73/388627173.db2.gz NLKQZFACFIVYRY-SNVBAGLBSA-N 2 2 221.279 2.090 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cncs1 ZINC000530217757 388630296 /nfs/dbraw/zinc/63/02/96/388630296.db2.gz HLDKBVQVBKYMOT-MWLCHTKSSA-N 2 2 237.372 2.078 20 0 BEADLP CC[C@H]([NH2+]Cc1cccnc1C)[C@@H]1CCC[NH2+]1 ZINC000530224705 388634365 /nfs/dbraw/zinc/63/43/65/388634365.db2.gz WUVWIGIERRYYOV-KBPBESRZSA-N 2 2 233.359 2.010 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000251657441 388750602 /nfs/dbraw/zinc/75/06/02/388750602.db2.gz KLHGQSTUQJYHDF-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000251657441 388750606 /nfs/dbraw/zinc/75/06/06/388750606.db2.gz KLHGQSTUQJYHDF-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)C[N@@H+]1C1CC1 ZINC000128367653 388751380 /nfs/dbraw/zinc/75/13/80/388751380.db2.gz ZAPIICCKTYAGEU-NEPJUHHUSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2ccco2)C[N@H+]1C1CC1 ZINC000128367653 388751382 /nfs/dbraw/zinc/75/13/82/388751382.db2.gz ZAPIICCKTYAGEU-NEPJUHHUSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000227605731 388753695 /nfs/dbraw/zinc/75/36/95/388753695.db2.gz GNCMUZWSUWGTTG-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000086727459 388691630 /nfs/dbraw/zinc/69/16/30/388691630.db2.gz JOKJBBYLCAWLSY-BBBLOLIVSA-N 2 2 236.281 2.059 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000540181704 388797807 /nfs/dbraw/zinc/79/78/07/388797807.db2.gz RMLZBNGNYNZTCS-ONERCXAPSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000540181704 388797810 /nfs/dbraw/zinc/79/78/10/388797810.db2.gz RMLZBNGNYNZTCS-ONERCXAPSA-N 2 2 248.345 2.353 20 0 BEADLP CC[C@H]1CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000554095543 388800021 /nfs/dbraw/zinc/80/00/21/388800021.db2.gz PYXCTYOTAIOFCE-WCQYABFASA-N 2 2 233.359 2.498 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC12CC2 ZINC000572543047 388805215 /nfs/dbraw/zinc/80/52/15/388805215.db2.gz XWPJALCQXQTMHJ-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000228142103 388771517 /nfs/dbraw/zinc/77/15/17/388771517.db2.gz UXGODBIEMCLOKJ-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1C1CC1 ZINC000554658033 388825800 /nfs/dbraw/zinc/82/58/00/388825800.db2.gz WYSQNCODKGTYHZ-OGMFBOKVSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C[N@H+]1C1CC1 ZINC000554658033 388825802 /nfs/dbraw/zinc/82/58/02/388825802.db2.gz WYSQNCODKGTYHZ-OGMFBOKVSA-N 2 2 234.387 2.390 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000556045332 388865303 /nfs/dbraw/zinc/86/53/03/388865303.db2.gz VWROGHFBCCEWGY-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000556045332 388865307 /nfs/dbraw/zinc/86/53/07/388865307.db2.gz VWROGHFBCCEWGY-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+][C@@H](C)C(C)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000564791808 388890319 /nfs/dbraw/zinc/89/03/19/388890319.db2.gz IYQBXCZOBIAPKB-LPEHRKFASA-N 2 2 220.307 2.008 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000129885052 388874746 /nfs/dbraw/zinc/87/47/46/388874746.db2.gz YVWFDLOONUCOHH-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@H+]1C1CC1 ZINC000129885052 388874748 /nfs/dbraw/zinc/87/47/48/388874748.db2.gz YVWFDLOONUCOHH-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP Cc1noc(C)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000070141562 388876551 /nfs/dbraw/zinc/87/65/51/388876551.db2.gz HFIHXINMUMPAEB-UHFFFAOYSA-N 2 2 248.330 2.058 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2nccn21 ZINC000565769149 388967440 /nfs/dbraw/zinc/96/74/40/388967440.db2.gz HZZFLHWVZGXUEN-XQHKEYJVSA-N 2 2 248.374 2.139 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC1(C)C ZINC000273662436 389043271 /nfs/dbraw/zinc/04/32/71/389043271.db2.gz YDSYXDJKRKVXDB-GFCCVEGCSA-N 2 2 219.332 2.036 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000400503920 533445358 /nfs/dbraw/zinc/44/53/58/533445358.db2.gz CRZXLKJYSWINSP-NOZJJQNGSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000307728839 533458447 /nfs/dbraw/zinc/45/84/47/533458447.db2.gz GOTKHISGWFBZIV-TZMCWYRMSA-N 2 2 218.344 2.307 20 0 BEADLP c1ccc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]c1 ZINC000301329250 132253186 /nfs/dbraw/zinc/25/31/86/132253186.db2.gz ARHXWUCWFWAAHO-UHFFFAOYSA-N 2 2 245.370 2.394 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373056442 132286434 /nfs/dbraw/zinc/28/64/34/132286434.db2.gz HSDIFYYDOXUKNV-GFCCVEGCSA-N 2 2 242.326 2.199 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000335468051 133877455 /nfs/dbraw/zinc/87/74/55/133877455.db2.gz ISWURMCLECZZHJ-HZGVNTEJSA-N 2 2 244.260 2.028 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000335839887 133934405 /nfs/dbraw/zinc/93/44/05/133934405.db2.gz FIOLDQZQYXEZCK-XYHHVPKHSA-N 2 2 234.318 2.262 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000335839887 133934406 /nfs/dbraw/zinc/93/44/06/133934406.db2.gz FIOLDQZQYXEZCK-XYHHVPKHSA-N 2 2 234.318 2.262 20 0 BEADLP Cc1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000335998259 134043163 /nfs/dbraw/zinc/04/31/63/134043163.db2.gz RFIXPGVIBLOQNK-UHFFFAOYSA-N 2 2 230.355 2.275 20 0 BEADLP Cc1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000335998259 134043164 /nfs/dbraw/zinc/04/31/64/134043164.db2.gz RFIXPGVIBLOQNK-UHFFFAOYSA-N 2 2 230.355 2.275 20 0 BEADLP Cc1ncccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000352103763 134068225 /nfs/dbraw/zinc/06/82/25/134068225.db2.gz REPYSPVMCLYSLV-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ncccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000352103763 134068226 /nfs/dbraw/zinc/06/82/26/134068226.db2.gz REPYSPVMCLYSLV-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000218096420 134251716 /nfs/dbraw/zinc/25/17/16/134251716.db2.gz UBMHZXOASSXTLI-LSDHHAIUSA-N 2 2 232.371 2.331 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000218096420 134251717 /nfs/dbraw/zinc/25/17/17/134251717.db2.gz UBMHZXOASSXTLI-LSDHHAIUSA-N 2 2 232.371 2.331 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC000220660106 134311662 /nfs/dbraw/zinc/31/16/62/134311662.db2.gz WWUVNHBQUAPBAX-VOAKCMCISA-N 2 2 212.381 2.351 20 0 BEADLP c1cn2c(cccc2C[NH2+]Cc2ccoc2)[nH+]1 ZINC000179420186 134320955 /nfs/dbraw/zinc/32/09/55/134320955.db2.gz UKFZYEOZQFOFDO-UHFFFAOYSA-N 2 2 227.267 2.217 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221384407 134323921 /nfs/dbraw/zinc/32/39/21/134323921.db2.gz LUXMIKZAIBOPAW-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221384407 134323922 /nfs/dbraw/zinc/32/39/22/134323922.db2.gz LUXMIKZAIBOPAW-HUUCEWRRSA-N 2 2 230.355 2.179 20 0 BEADLP c1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c[nH]1 ZINC000179972878 134325549 /nfs/dbraw/zinc/32/55/49/134325549.db2.gz OBRBNISZXBSDDF-UHFFFAOYSA-N 2 2 233.359 2.075 20 0 BEADLP CC[C@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)CCS1 ZINC000222156199 134330042 /nfs/dbraw/zinc/33/00/42/134330042.db2.gz UCLVNBSPYMTYRA-RYUDHWBXSA-N 2 2 230.421 2.187 20 0 BEADLP CC[C@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)CCS1 ZINC000222156199 134330043 /nfs/dbraw/zinc/33/00/43/134330043.db2.gz UCLVNBSPYMTYRA-RYUDHWBXSA-N 2 2 230.421 2.187 20 0 BEADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182496281 134345595 /nfs/dbraw/zinc/34/55/95/134345595.db2.gz SVGLFKIKEKXMTQ-MJBXVCDLSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182496281 134345596 /nfs/dbraw/zinc/34/55/96/134345596.db2.gz SVGLFKIKEKXMTQ-MJBXVCDLSA-N 2 2 233.359 2.394 20 0 BEADLP CC(C)C[C@H](C[NH2+]C[C@@H]1CCSC1)[NH+](C)C ZINC000224307700 134345877 /nfs/dbraw/zinc/34/58/77/134345877.db2.gz WSKJQQXTTRIFIC-QWHCGFSZSA-N 2 2 244.448 2.305 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c[nH+]1 ZINC000226833383 134369673 /nfs/dbraw/zinc/36/96/73/134369673.db2.gz ZHHRAXFEIPUVMH-NWDGAFQWSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c[nH+]1 ZINC000226833383 134369674 /nfs/dbraw/zinc/36/96/74/134369674.db2.gz ZHHRAXFEIPUVMH-NWDGAFQWSA-N 2 2 219.332 2.285 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccoc1 ZINC000185163698 134372507 /nfs/dbraw/zinc/37/25/07/134372507.db2.gz RWEAFKOHSDFDIP-UHFFFAOYSA-N 2 2 231.299 2.030 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000227552036 134383220 /nfs/dbraw/zinc/38/32/20/134383220.db2.gz OHKRTDLXXXAIOO-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000227552036 134383221 /nfs/dbraw/zinc/38/32/21/134383221.db2.gz OHKRTDLXXXAIOO-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000227559646 134383509 /nfs/dbraw/zinc/38/35/09/134383509.db2.gz KMCMMQRIRCLUGB-FRRDWIJNSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000248512220 135002734 /nfs/dbraw/zinc/00/27/34/135002734.db2.gz APZPSLSEMUJPGI-OCCSQVGLSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000248512220 135002737 /nfs/dbraw/zinc/00/27/37/135002737.db2.gz APZPSLSEMUJPGI-OCCSQVGLSA-N 2 2 233.359 2.217 20 0 BEADLP CC[N@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070654310 135004277 /nfs/dbraw/zinc/00/42/77/135004277.db2.gz DBQHSHISUGGGEL-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070654310 135004279 /nfs/dbraw/zinc/00/42/79/135004279.db2.gz DBQHSHISUGGGEL-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000070761921 135011675 /nfs/dbraw/zinc/01/16/75/135011675.db2.gz OTAJKCQTHMVCBM-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248842609 135023550 /nfs/dbraw/zinc/02/35/50/135023550.db2.gz QJJINPRCAGQNNX-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248842609 135023551 /nfs/dbraw/zinc/02/35/51/135023551.db2.gz QJJINPRCAGQNNX-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000248897557 135026628 /nfs/dbraw/zinc/02/66/28/135026628.db2.gz MYABEOKOYGZXEH-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000248897557 135026630 /nfs/dbraw/zinc/02/66/30/135026630.db2.gz MYABEOKOYGZXEH-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@H]1C ZINC000251630352 135073835 /nfs/dbraw/zinc/07/38/35/135073835.db2.gz DTISNIQKTVJDHZ-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000251741196 135076783 /nfs/dbraw/zinc/07/67/83/135076783.db2.gz CTYPADWWCIACKS-XQHKEYJVSA-N 2 2 212.381 2.351 20 0 BEADLP Clc1csc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000086333647 135081210 /nfs/dbraw/zinc/08/12/10/135081210.db2.gz FSZQDYVISXIXIY-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP Clc1csc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000086333647 135081212 /nfs/dbraw/zinc/08/12/12/135081212.db2.gz FSZQDYVISXIXIY-DTORHVGOSA-N 2 2 242.775 2.053 20 0 BEADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333551 135081915 /nfs/dbraw/zinc/08/19/15/135081915.db2.gz HYZKECQTNFYULD-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086333551 135081916 /nfs/dbraw/zinc/08/19/16/135081916.db2.gz HYZKECQTNFYULD-SECBINFHSA-N 2 2 244.791 2.443 20 0 BEADLP Cc1csc(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)n1 ZINC000086495762 135087259 /nfs/dbraw/zinc/08/72/59/135087259.db2.gz PAKWKENKWHGEBD-GXSJLCMTSA-N 2 2 239.388 2.072 20 0 BEADLP C[C@@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[NH+](C)C ZINC000252458122 135089670 /nfs/dbraw/zinc/08/96/70/135089670.db2.gz MJTSFNZVPVQIAI-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP CCc1nc(C[N@H+](C)CC(C)(C)C[NH3+])cs1 ZINC000086638069 135092146 /nfs/dbraw/zinc/09/21/46/135092146.db2.gz NRKURANEOMWCPH-UHFFFAOYSA-N 2 2 241.404 2.122 20 0 BEADLP CCc1nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs1 ZINC000086638069 135092148 /nfs/dbraw/zinc/09/21/48/135092148.db2.gz NRKURANEOMWCPH-UHFFFAOYSA-N 2 2 241.404 2.122 20 0 BEADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000086729899 135095063 /nfs/dbraw/zinc/09/50/63/135095063.db2.gz KSPTTYSJLXJIRC-KOLCDFICSA-N 2 2 222.357 2.077 20 0 BEADLP CC(C)CC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252667269 135095529 /nfs/dbraw/zinc/09/55/29/135095529.db2.gz HTUITZJZHYYZKU-ZDUSSCGKSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252667269 135095530 /nfs/dbraw/zinc/09/55/30/135095530.db2.gz HTUITZJZHYYZKU-ZDUSSCGKSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252667269 135095533 /nfs/dbraw/zinc/09/55/33/135095533.db2.gz HTUITZJZHYYZKU-ZDUSSCGKSA-N 2 2 210.365 2.203 20 0 BEADLP CC(C)CC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000252667269 135095535 /nfs/dbraw/zinc/09/55/35/135095535.db2.gz HTUITZJZHYYZKU-ZDUSSCGKSA-N 2 2 210.365 2.203 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673191 135095832 /nfs/dbraw/zinc/09/58/32/135095832.db2.gz HDZCSLGEVUXOIA-STQMWFEESA-N 2 2 249.358 2.008 20 0 BEADLP Cc1noc(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673191 135095834 /nfs/dbraw/zinc/09/58/34/135095834.db2.gz HDZCSLGEVUXOIA-STQMWFEESA-N 2 2 249.358 2.008 20 0 BEADLP C[C@H]1CC([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@H](C)C1 ZINC000252685535 135096692 /nfs/dbraw/zinc/09/66/92/135096692.db2.gz IHRNNEBUWRWBNX-YRGRVCCFSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC([NH2+]C[C@H]2CCC[N@H+]2C)C[C@H](C)C1 ZINC000252685535 135096694 /nfs/dbraw/zinc/09/66/94/135096694.db2.gz IHRNNEBUWRWBNX-YRGRVCCFSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000252733866 135104513 /nfs/dbraw/zinc/10/45/13/135104513.db2.gz SVMHKQXYPHEGHF-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000252733866 135104516 /nfs/dbraw/zinc/10/45/16/135104516.db2.gz SVMHKQXYPHEGHF-NEPJUHHUSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cnc2ccccc2c1 ZINC000261537232 135108394 /nfs/dbraw/zinc/10/83/94/135108394.db2.gz DDSPOOCLOOSZQX-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000261537232 135108396 /nfs/dbraw/zinc/10/83/96/135108396.db2.gz DDSPOOCLOOSZQX-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000253079461 135120414 /nfs/dbraw/zinc/12/04/14/135120414.db2.gz UQAZTKASZSXQCB-UTUOFQBUSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000253079461 135120416 /nfs/dbraw/zinc/12/04/16/135120416.db2.gz UQAZTKASZSXQCB-UTUOFQBUSA-N 2 2 230.421 2.186 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000258829092 135134749 /nfs/dbraw/zinc/13/47/49/135134749.db2.gz VAZKQMSISDLNKD-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000258829092 135134750 /nfs/dbraw/zinc/13/47/50/135134750.db2.gz VAZKQMSISDLNKD-MRVPVSSYSA-N 2 2 230.714 2.258 20 0 BEADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1F ZINC000258904677 135135429 /nfs/dbraw/zinc/13/54/29/135135429.db2.gz SEYUJHLTQZPXBE-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1F ZINC000258904677 135135430 /nfs/dbraw/zinc/13/54/30/135135430.db2.gz SEYUJHLTQZPXBE-UHFFFAOYSA-N 2 2 224.323 2.303 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000261529061 135155208 /nfs/dbraw/zinc/15/52/08/135155208.db2.gz AFUAFBCHHIXVQG-KOLCDFICSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000261529061 135155209 /nfs/dbraw/zinc/15/52/09/135155209.db2.gz AFUAFBCHHIXVQG-KOLCDFICSA-N 2 2 210.346 2.232 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])c(C)s1 ZINC000261529908 135156468 /nfs/dbraw/zinc/15/64/68/135156468.db2.gz BTBKNAHKBWMYCH-QMMMGPOBSA-N 2 2 212.362 2.144 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c(C)o1 ZINC000261530281 135157645 /nfs/dbraw/zinc/15/76/45/135157645.db2.gz CEZNRQUBLZMYRY-GUBZILKMSA-N 2 2 210.321 2.283 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000261533256 135164487 /nfs/dbraw/zinc/16/44/87/135164487.db2.gz AYGCIBGZDZTDNP-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000261533256 135164489 /nfs/dbraw/zinc/16/44/89/135164489.db2.gz AYGCIBGZDZTDNP-JTQLQIEISA-N 2 2 226.751 2.427 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000261533559 135165174 /nfs/dbraw/zinc/16/51/74/135165174.db2.gz KXSFBCHGIRHSGA-UWVGGRQHSA-N 2 2 210.296 2.166 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000261533559 135165175 /nfs/dbraw/zinc/16/51/75/135165175.db2.gz KXSFBCHGIRHSGA-UWVGGRQHSA-N 2 2 210.296 2.166 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261533680 135165964 /nfs/dbraw/zinc/16/59/64/135165964.db2.gz JXNLTSXVMFUDCH-GXTWGEPZSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261533680 135165965 /nfs/dbraw/zinc/16/59/65/135165965.db2.gz JXNLTSXVMFUDCH-GXTWGEPZSA-N 2 2 218.344 2.082 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000261534892 135168561 /nfs/dbraw/zinc/16/85/61/135168561.db2.gz NHVDWSVOHCFGGB-GUBZILKMSA-N 2 2 210.296 2.212 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)CCSc1ccccc1 ZINC000261539700 135178932 /nfs/dbraw/zinc/17/89/32/135178932.db2.gz DAAAAHLQGLKJTG-LLVKDONJSA-N 2 2 224.373 2.058 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)CCSc1ccccc1 ZINC000261539700 135178933 /nfs/dbraw/zinc/17/89/33/135178933.db2.gz DAAAAHLQGLKJTG-LLVKDONJSA-N 2 2 224.373 2.058 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000261541220 135181262 /nfs/dbraw/zinc/18/12/62/135181262.db2.gz AWWAKPPGAAZVBZ-ZDUSSCGKSA-N 2 2 242.313 2.428 20 0 BEADLP CCOc1cccc(C[NH+]2CCC([NH2+]C)CC2)c1 ZINC000261553637 135193116 /nfs/dbraw/zinc/19/31/16/135193116.db2.gz AJSFFWXVNRVGLU-UHFFFAOYSA-N 2 2 248.370 2.269 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1coc2ccccc12 ZINC000261563689 135205069 /nfs/dbraw/zinc/20/50/69/135205069.db2.gz XDIKNKOHFXWATR-ZWNOBZJWSA-N 2 2 230.311 2.354 20 0 BEADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1coc2ccccc12 ZINC000261563689 135205071 /nfs/dbraw/zinc/20/50/71/135205071.db2.gz XDIKNKOHFXWATR-ZWNOBZJWSA-N 2 2 230.311 2.354 20 0 BEADLP Fc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261563401 135205149 /nfs/dbraw/zinc/20/51/49/135205149.db2.gz XBCRYJORSRBKLU-TZMCWYRMSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261563401 135205151 /nfs/dbraw/zinc/20/51/51/135205151.db2.gz XBCRYJORSRBKLU-TZMCWYRMSA-N 2 2 234.318 2.010 20 0 BEADLP c1cn(CC[NH2+]CC2CCCCCC2)c[nH+]1 ZINC000084329186 135211694 /nfs/dbraw/zinc/21/16/94/135211694.db2.gz UWULHLCGEMZYIO-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](C)[NH3+] ZINC000261581257 135222660 /nfs/dbraw/zinc/22/26/60/135222660.db2.gz NLLXJYOJVYUDNF-KOLCDFICSA-N 2 2 224.373 2.405 20 0 BEADLP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](C)[NH3+] ZINC000261581257 135222662 /nfs/dbraw/zinc/22/26/62/135222662.db2.gz NLLXJYOJVYUDNF-KOLCDFICSA-N 2 2 224.373 2.405 20 0 BEADLP Cc1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000261584821 135225802 /nfs/dbraw/zinc/22/58/02/135225802.db2.gz QAZFLUFAIPQSJB-CQSZACIVSA-N 2 2 218.344 2.481 20 0 BEADLP Cc1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000261584821 135225803 /nfs/dbraw/zinc/22/58/03/135225803.db2.gz QAZFLUFAIPQSJB-CQSZACIVSA-N 2 2 218.344 2.481 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc2ccccc2o1 ZINC000261589027 135229490 /nfs/dbraw/zinc/22/94/90/135229490.db2.gz SUOOAMSZCPCCSG-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000261589027 135229491 /nfs/dbraw/zinc/22/94/91/135229491.db2.gz SUOOAMSZCPCCSG-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000261596109 135235682 /nfs/dbraw/zinc/23/56/82/135235682.db2.gz YMWSNFLTHREYGQ-GHMZBOCLSA-N 2 2 228.405 2.084 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000261596109 135235683 /nfs/dbraw/zinc/23/56/83/135235683.db2.gz YMWSNFLTHREYGQ-GHMZBOCLSA-N 2 2 228.405 2.084 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000261545863 135237550 /nfs/dbraw/zinc/23/75/50/135237550.db2.gz LAJAQQYDPVURAO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cnc2ccccc2c1 ZINC000261545863 135237552 /nfs/dbraw/zinc/23/75/52/135237552.db2.gz LAJAQQYDPVURAO-CQSZACIVSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000261547252 135239988 /nfs/dbraw/zinc/23/99/88/135239988.db2.gz HURABPNAUDXVRL-ZANVPECISA-N 2 2 240.297 2.052 20 0 BEADLP Fc1cccc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261760796 135250591 /nfs/dbraw/zinc/25/05/91/135250591.db2.gz CZCWZCCEKBNAGN-GFCCVEGCSA-N 2 2 248.345 2.183 20 0 BEADLP Fc1cccc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261760796 135250593 /nfs/dbraw/zinc/25/05/93/135250593.db2.gz CZCWZCCEKBNAGN-GFCCVEGCSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817304 135255215 /nfs/dbraw/zinc/25/52/15/135255215.db2.gz ICSSVJWASJETBJ-GXFFZTMASA-N 2 2 238.762 2.477 20 0 BEADLP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000261817304 135255216 /nfs/dbraw/zinc/25/52/16/135255216.db2.gz ICSSVJWASJETBJ-GXFFZTMASA-N 2 2 238.762 2.477 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261886371 135259822 /nfs/dbraw/zinc/25/98/22/135259822.db2.gz SBTZHACDORDBTA-OAHLLOKOSA-N 2 2 230.355 2.310 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000261886371 135259824 /nfs/dbraw/zinc/25/98/24/135259824.db2.gz SBTZHACDORDBTA-OAHLLOKOSA-N 2 2 230.355 2.310 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261954993 135266232 /nfs/dbraw/zinc/26/62/32/135266232.db2.gz GPFOIKANUGYLGQ-JSGCOSHPSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261954993 135266233 /nfs/dbraw/zinc/26/62/33/135266233.db2.gz GPFOIKANUGYLGQ-JSGCOSHPSA-N 2 2 248.370 2.253 20 0 BEADLP CC[N@H+](CCO)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000342591450 135293648 /nfs/dbraw/zinc/29/36/48/135293648.db2.gz HITRYMPYFDVQHV-CYBMUJFWSA-N 2 2 244.423 2.105 20 0 BEADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000342591450 135293649 /nfs/dbraw/zinc/29/36/49/135293649.db2.gz HITRYMPYFDVQHV-CYBMUJFWSA-N 2 2 244.423 2.105 20 0 BEADLP Cc1ccc(OC2CC[NH+](CC[NH3+])CC2)cc1C ZINC000262891829 135323040 /nfs/dbraw/zinc/32/30/40/135323040.db2.gz CNJSQKXAHQXKNJ-UHFFFAOYSA-N 2 2 248.370 2.105 20 0 BEADLP [NH3+]CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000263103697 135332724 /nfs/dbraw/zinc/33/27/24/135332724.db2.gz ZQNJXCMEEIAQTF-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+]CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000263103697 135332726 /nfs/dbraw/zinc/33/27/26/135332726.db2.gz ZQNJXCMEEIAQTF-HNNXBMFYSA-N 2 2 230.355 2.487 20 0 BEADLP C[C@H]1CCN(c2cccc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000268230017 135364142 /nfs/dbraw/zinc/36/41/42/135364142.db2.gz FNCKMIASIUHESB-QWHCGFSZSA-N 2 2 242.326 2.366 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000299919031 135382090 /nfs/dbraw/zinc/38/20/90/135382090.db2.gz LAEKOVMASPMWJW-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000299919031 135382092 /nfs/dbraw/zinc/38/20/92/135382092.db2.gz LAEKOVMASPMWJW-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299918594 135382368 /nfs/dbraw/zinc/38/23/68/135382368.db2.gz KEEGYVOOZMIQIF-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1ccccc1C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000299918594 135382370 /nfs/dbraw/zinc/38/23/70/135382370.db2.gz KEEGYVOOZMIQIF-GJZGRUSLSA-N 2 2 230.355 2.179 20 0 BEADLP CC1(C)CC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000087769587 135511607 /nfs/dbraw/zinc/51/16/07/135511607.db2.gz BWLXSBCJKDXRDO-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000335023376 135879787 /nfs/dbraw/zinc/87/97/87/135879787.db2.gz GZQZPVDSIGOBHU-ABAIWWIYSA-N 2 2 230.355 2.188 20 0 BEADLP C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000335282774 136000635 /nfs/dbraw/zinc/00/06/35/136000635.db2.gz VJEVGFOTJJENBD-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000335282774 136000636 /nfs/dbraw/zinc/00/06/36/136000636.db2.gz VJEVGFOTJJENBD-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP CCC[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347648085 136000653 /nfs/dbraw/zinc/00/06/53/136000653.db2.gz GOJSBMNZBFZEQD-UHFFFAOYSA-N 2 2 241.404 2.437 20 0 BEADLP CCC[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347648085 136000654 /nfs/dbraw/zinc/00/06/54/136000654.db2.gz GOJSBMNZBFZEQD-UHFFFAOYSA-N 2 2 241.404 2.437 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000335283322 136000969 /nfs/dbraw/zinc/00/09/69/136000969.db2.gz XMDOUNWAOGAXBN-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000335283322 136000970 /nfs/dbraw/zinc/00/09/70/136000970.db2.gz XMDOUNWAOGAXBN-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000347735551 136004330 /nfs/dbraw/zinc/00/43/30/136004330.db2.gz RNTGBXSXUBNYLQ-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP CC[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000347735551 136004331 /nfs/dbraw/zinc/00/43/31/136004331.db2.gz RNTGBXSXUBNYLQ-LBPRGKRZSA-N 2 2 221.348 2.227 20 0 BEADLP Cc1ccncc1CCC[NH2+]CC[N@@H+](C)C(C)C ZINC000348003524 136020624 /nfs/dbraw/zinc/02/06/24/136020624.db2.gz GQYZCGFVVBMYQO-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP Cc1ccncc1CCC[NH2+]CC[N@H+](C)C(C)C ZINC000348003524 136020625 /nfs/dbraw/zinc/02/06/25/136020625.db2.gz GQYZCGFVVBMYQO-UHFFFAOYSA-N 2 2 249.402 2.252 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[N@@H+](C)C(C)C ZINC000348003524 136020626 /nfs/dbraw/zinc/02/06/26/136020626.db2.gz GQYZCGFVVBMYQO-UHFFFAOYSA-N 3 2 249.402 2.252 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[N@H+](C)C(C)C ZINC000348003524 136020627 /nfs/dbraw/zinc/02/06/27/136020627.db2.gz GQYZCGFVVBMYQO-UHFFFAOYSA-N 3 2 249.402 2.252 20 0 BEADLP CO[C@H](C)CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348011654 136021210 /nfs/dbraw/zinc/02/12/10/136021210.db2.gz UBXSFVFBUHTFSF-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000348081619 136034989 /nfs/dbraw/zinc/03/49/89/136034989.db2.gz KXYKUTURKCJATQ-DZGBDDFRSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[N@H+]1C1CC1 ZINC000348081619 136034990 /nfs/dbraw/zinc/03/49/90/136034990.db2.gz KXYKUTURKCJATQ-DZGBDDFRSA-N 2 2 234.387 2.390 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(C)CCCO1 ZINC000348094734 136035962 /nfs/dbraw/zinc/03/59/62/136035962.db2.gz YZHIVCVARJIPIF-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000348187034 136038145 /nfs/dbraw/zinc/03/81/45/136038145.db2.gz OFJGRDVBXSJTNF-QWHCGFSZSA-N 2 2 235.375 2.470 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(C)CCCOC1 ZINC000348131682 136038372 /nfs/dbraw/zinc/03/83/72/136038372.db2.gz SIKFYVJOTIECFX-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C[C@@H](C)O ZINC000348219090 136046430 /nfs/dbraw/zinc/04/64/30/136046430.db2.gz KTWVQZSJALWDSS-CHWSQXEVSA-N 2 2 236.359 2.072 20 0 BEADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000348242904 136056188 /nfs/dbraw/zinc/05/61/88/136056188.db2.gz KSFZQVKUVRNUPO-VHSXEESVSA-N 2 2 247.264 2.156 20 0 BEADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000348242904 136056189 /nfs/dbraw/zinc/05/61/89/136056189.db2.gz KSFZQVKUVRNUPO-VHSXEESVSA-N 2 2 247.264 2.156 20 0 BEADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1(C)C ZINC000348281509 136059735 /nfs/dbraw/zinc/05/97/35/136059735.db2.gz AVVSNJBDOGNIIF-UPJWGTAASA-N 2 2 242.407 2.118 20 0 BEADLP c1cn(CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000348316041 136068346 /nfs/dbraw/zinc/06/83/46/136068346.db2.gz FZBMCTYYGOBEKK-LSDHHAIUSA-N 2 2 241.338 2.276 20 0 BEADLP CO[C@H]1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000348441129 136078169 /nfs/dbraw/zinc/07/81/69/136078169.db2.gz SUJIZDLUBLTIAM-CABCVRRESA-N 2 2 248.370 2.480 20 0 BEADLP CO[C@@H]1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000348441132 136078472 /nfs/dbraw/zinc/07/84/72/136078472.db2.gz SUJIZDLUBLTIAM-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP CCCCO[C@H]1C[C@@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000348436423 136078818 /nfs/dbraw/zinc/07/88/18/136078818.db2.gz XEMVMMGQOOARKL-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CCCCO[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000348436422 136078858 /nfs/dbraw/zinc/07/88/58/136078858.db2.gz XEMVMMGQOOARKL-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP [NH3+]CC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000335566475 136108000 /nfs/dbraw/zinc/10/80/00/136108000.db2.gz UMZWYQOUFXXDCL-LLVKDONJSA-N 2 2 240.734 2.102 20 0 BEADLP [NH3+]CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000335567499 136108294 /nfs/dbraw/zinc/10/82/94/136108294.db2.gz YOBQSQKCEQYFIE-JTQLQIEISA-N 2 2 242.775 2.425 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]CCc1cccc(Cl)c1 ZINC000162772095 397782334 /nfs/dbraw/zinc/78/23/34/397782334.db2.gz KFFWHCGDOWDYDA-NSHDSACASA-N 2 2 240.778 2.422 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000647540549 397782420 /nfs/dbraw/zinc/78/24/20/397782420.db2.gz ZRDHJTGCQQGMCN-WOPDTQHZSA-N 2 2 230.371 2.300 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](C)C(C)(C)C ZINC000647540549 397782425 /nfs/dbraw/zinc/78/24/25/397782425.db2.gz ZRDHJTGCQQGMCN-WOPDTQHZSA-N 2 2 230.371 2.300 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@@H+]1CCn1cc[nH+]c1C ZINC000357525650 397937554 /nfs/dbraw/zinc/93/75/54/397937554.db2.gz FAEXDRCPKLIXAV-YPMHNXCESA-N 2 2 221.348 2.454 20 0 BEADLP CC[C@H]1CC[C@@H](C)[N@H+]1CCn1cc[nH+]c1C ZINC000357525650 397937556 /nfs/dbraw/zinc/93/75/56/397937556.db2.gz FAEXDRCPKLIXAV-YPMHNXCESA-N 2 2 221.348 2.454 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCC[C@H](C)C1)[NH+](C)C ZINC000449556074 397955858 /nfs/dbraw/zinc/95/58/58/397955858.db2.gz KMCMMQRIRCLUGB-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)C ZINC000449556219 397955916 /nfs/dbraw/zinc/95/59/16/397955916.db2.gz LOMVXXOMXCASGN-YVECIDJPSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537856 397918326 /nfs/dbraw/zinc/91/83/26/397918326.db2.gz SHYMVBIRMOUXHS-ZUWCUPBKSA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643538485 397918747 /nfs/dbraw/zinc/91/87/47/397918747.db2.gz LENMAQXVEAUEKI-AVGNSLFASA-N 2 2 228.355 2.245 20 0 BEADLP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643537946 397919886 /nfs/dbraw/zinc/91/98/86/397919886.db2.gz VHXUDCFDPABLEQ-SRVKXCTJSA-N 2 2 228.355 2.245 20 0 BEADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538456 397919981 /nfs/dbraw/zinc/91/99/81/397919981.db2.gz KPNRPPOYZPWXMC-NDBYEHHHSA-N 2 2 230.371 2.491 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643538017 397920254 /nfs/dbraw/zinc/92/02/54/397920254.db2.gz WNHXNHACWASVBR-MELADBBJSA-N 2 2 236.334 2.427 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC000643538016 397920308 /nfs/dbraw/zinc/92/03/08/397920308.db2.gz WNHXNHACWASVBR-IHRRRGAJSA-N 2 2 236.334 2.427 20 0 BEADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414763659 398028122 /nfs/dbraw/zinc/02/81/22/398028122.db2.gz CWFFSECNHGRQAK-TZMCWYRMSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000414763659 398028126 /nfs/dbraw/zinc/02/81/26/398028126.db2.gz CWFFSECNHGRQAK-TZMCWYRMSA-N 2 2 248.370 2.395 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+]CCCCF)n2c1 ZINC000361056507 397972685 /nfs/dbraw/zinc/97/26/85/397972685.db2.gz ZIYLCDVADVMLIB-UHFFFAOYSA-N 2 2 235.306 2.482 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000418114553 397981796 /nfs/dbraw/zinc/98/17/96/397981796.db2.gz MCRHQCAPVXSCFS-LSDHHAIUSA-N 2 2 244.382 2.474 20 0 BEADLP CC[C@H]1C[N@H+](CCC[NH+](CC)CC)[C@H](C)CO1 ZINC000649735589 398076744 /nfs/dbraw/zinc/07/67/44/398076744.db2.gz NIXCWSYIPYWEEO-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@H]1C[N@@H+](CCC[NH+](CC)CC)[C@H](C)CO1 ZINC000649735589 398076748 /nfs/dbraw/zinc/07/67/48/398076748.db2.gz NIXCWSYIPYWEEO-KGLIPLIRSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648450097 398051822 /nfs/dbraw/zinc/05/18/22/398051822.db2.gz SWHOBRNZFHQSHL-IUODEOHRSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450097 398051824 /nfs/dbraw/zinc/05/18/24/398051824.db2.gz SWHOBRNZFHQSHL-IUODEOHRSA-N 2 2 248.370 2.285 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC001647927170 1172778788 /nfs/dbraw/zinc/77/87/88/1172778788.db2.gz NWBDEXOHCRTRLJ-ZSHCYNCHSA-N 2 2 244.382 2.241 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC001647927170 1172778792 /nfs/dbraw/zinc/77/87/92/1172778792.db2.gz NWBDEXOHCRTRLJ-ZSHCYNCHSA-N 2 2 244.382 2.241 20 0 BEADLP CC(C)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596135 167008245 /nfs/dbraw/zinc/00/82/45/167008245.db2.gz APDBNXXPSYPRAS-CQSZACIVSA-N 2 2 218.344 2.119 20 0 BEADLP CC[NH2+]CC[NH+]1CCC2(CCCC2)CC1 ZINC000062953599 1172793857 /nfs/dbraw/zinc/79/38/57/1172793857.db2.gz VVRZNNAFOCULMY-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1cccc(Cl)c1F ZINC000083357734 173349536 /nfs/dbraw/zinc/34/95/36/173349536.db2.gz VCIFDEKHKWYZLU-UHFFFAOYSA-N 2 2 230.714 2.178 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C3CCC3)C2)n1C ZINC000668241774 487535993 /nfs/dbraw/zinc/53/59/93/487535993.db2.gz OBHAPLLVNIXFAD-ZDUSSCGKSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C3CCC3)C2)n1C ZINC000668241774 487535998 /nfs/dbraw/zinc/53/59/98/487535998.db2.gz OBHAPLLVNIXFAD-ZDUSSCGKSA-N 2 2 233.359 2.351 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662159 487571767 /nfs/dbraw/zinc/57/17/67/487571767.db2.gz PMIMWSZOAGUGAU-JQWIXIFHSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000685662159 487571772 /nfs/dbraw/zinc/57/17/72/487571772.db2.gz PMIMWSZOAGUGAU-JQWIXIFHSA-N 2 2 233.359 2.435 20 0 BEADLP CCCC[C@@H](COC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000658288629 487577764 /nfs/dbraw/zinc/57/77/64/487577764.db2.gz WUODGKIXSJLVLB-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@@H](COC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000658288629 487577767 /nfs/dbraw/zinc/57/77/67/487577767.db2.gz WUODGKIXSJLVLB-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000337332353 167259304 /nfs/dbraw/zinc/25/93/04/167259304.db2.gz IDAVUBMDUOMWKD-UPJWGTAASA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000337332353 167259308 /nfs/dbraw/zinc/25/93/08/167259308.db2.gz IDAVUBMDUOMWKD-UPJWGTAASA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000086727090 487598349 /nfs/dbraw/zinc/59/83/49/487598349.db2.gz DSEYCUBIIDKSFA-SFYZADRCSA-N 2 2 230.764 2.414 20 0 BEADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000662240222 409527012 /nfs/dbraw/zinc/52/70/12/409527012.db2.gz IVUKLJRGNSNOJB-CQSZACIVSA-N 2 2 218.344 2.343 20 0 BEADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000662240222 409527022 /nfs/dbraw/zinc/52/70/22/409527022.db2.gz IVUKLJRGNSNOJB-CQSZACIVSA-N 2 2 218.344 2.343 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662241493 409529843 /nfs/dbraw/zinc/52/98/43/409529843.db2.gz SVVNVBBRAKCRQS-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC000662241493 409529849 /nfs/dbraw/zinc/52/98/49/409529849.db2.gz SVVNVBBRAKCRQS-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CCCc1cccc(C[NH2+][C@H](C)C[NH2+]C)c1 ZINC000663513184 410282747 /nfs/dbraw/zinc/28/27/47/410282747.db2.gz JJDWPQOGKGRKAJ-GFCCVEGCSA-N 2 2 220.360 2.337 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702710 410333629 /nfs/dbraw/zinc/33/36/29/410333629.db2.gz QLDAXLMWHGPVQT-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702710 410333637 /nfs/dbraw/zinc/33/36/37/410333637.db2.gz QLDAXLMWHGPVQT-OAHLLOKOSA-N 2 2 244.382 2.359 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc2c1CCC2 ZINC000650703729 410334918 /nfs/dbraw/zinc/33/49/18/410334918.db2.gz PAKHYKSTPZHJJV-GFCCVEGCSA-N 2 2 232.371 2.263 20 0 BEADLP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1C ZINC000665294188 410782778 /nfs/dbraw/zinc/78/27/78/410782778.db2.gz JXKKMVXVHUOBBN-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1C ZINC000665294186 410782837 /nfs/dbraw/zinc/78/28/37/410782837.db2.gz JXKKMVXVHUOBBN-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370730701 166816616 /nfs/dbraw/zinc/81/66/16/166816616.db2.gz QAAYTNMZJSEWFE-LLVKDONJSA-N 2 2 221.348 2.293 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370730701 166816617 /nfs/dbraw/zinc/81/66/17/166816617.db2.gz QAAYTNMZJSEWFE-LLVKDONJSA-N 2 2 221.348 2.293 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394374760 410792032 /nfs/dbraw/zinc/79/20/32/410792032.db2.gz KGFWZUCXJJUJRK-NWINJMCUSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394374760 410792039 /nfs/dbraw/zinc/79/20/39/410792039.db2.gz KGFWZUCXJJUJRK-NWINJMCUSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000665295563 410792433 /nfs/dbraw/zinc/79/24/33/410792433.db2.gz GCGBHUBOEQLIAQ-HZMBPMFUSA-N 2 2 236.334 2.474 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000665295332 410794635 /nfs/dbraw/zinc/79/46/35/410794635.db2.gz CBGPRCLYBVBEHX-BXUZGUMPSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000665295206 410795337 /nfs/dbraw/zinc/79/53/37/410795337.db2.gz AGZOFGPVURYTKZ-PWSUYJOCSA-N 2 2 236.359 2.491 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000665295831 410800771 /nfs/dbraw/zinc/80/07/71/410800771.db2.gz KAQXSGDKJGOJSE-HZMBPMFUSA-N 2 2 236.334 2.401 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)C[NH2+]C)s1 ZINC000665296154 410805697 /nfs/dbraw/zinc/80/56/97/410805697.db2.gz NNTWTKMEYCGIQE-BDAKNGLRSA-N 2 2 241.404 2.272 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000665296890 410816602 /nfs/dbraw/zinc/81/66/02/410816602.db2.gz ZEXMKWNMRWRYGE-VXGBXAGGSA-N 2 2 235.375 2.011 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000665296424 410811867 /nfs/dbraw/zinc/81/18/67/410811867.db2.gz SIPLPYJWEMDOQT-NXEZZACHSA-N 2 2 238.400 2.495 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276918 410748563 /nfs/dbraw/zinc/74/85/63/410748563.db2.gz OZTAWTOHVGQACK-DNOWBOINSA-N 2 2 230.355 2.398 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000651198345 410857743 /nfs/dbraw/zinc/85/77/43/410857743.db2.gz ARXXAUVPXBNWPL-KGLIPLIRSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000651198345 410857749 /nfs/dbraw/zinc/85/77/49/410857749.db2.gz ARXXAUVPXBNWPL-KGLIPLIRSA-N 2 2 233.359 2.217 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000104074440 167093957 /nfs/dbraw/zinc/09/39/57/167093957.db2.gz RKQVZNJMGSAPQC-UHFFFAOYSA-N 2 2 233.359 2.044 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000179836722 167093999 /nfs/dbraw/zinc/09/39/99/167093999.db2.gz SKDYNHIOVYLFKK-UHFFFAOYSA-N 2 2 248.370 2.355 20 0 BEADLP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419061 167110950 /nfs/dbraw/zinc/11/09/50/167110950.db2.gz RDPWWFYSNVFSAI-CYBMUJFWSA-N 2 2 232.371 2.431 20 0 BEADLP CC(C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419061 167110953 /nfs/dbraw/zinc/11/09/53/167110953.db2.gz RDPWWFYSNVFSAI-CYBMUJFWSA-N 2 2 232.371 2.431 20 0 BEADLP CC(C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000052575369 167118505 /nfs/dbraw/zinc/11/85/05/167118505.db2.gz XLEFAXGKIXNDJB-UHFFFAOYSA-N 2 2 229.327 2.429 20 0 BEADLP CC(C)[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000125282574 167138532 /nfs/dbraw/zinc/13/85/32/167138532.db2.gz LTYUNISUPAWHFR-JHJVBQTASA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363135784 167231548 /nfs/dbraw/zinc/23/15/48/167231548.db2.gz YZMPIVBPMMYFID-LBPRGKRZSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363135784 167231553 /nfs/dbraw/zinc/23/15/53/167231553.db2.gz YZMPIVBPMMYFID-LBPRGKRZSA-N 2 2 237.347 2.014 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042546149 167306351 /nfs/dbraw/zinc/30/63/51/167306351.db2.gz MPKOOWCXDDGCLB-CQSZACIVSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042546149 167306353 /nfs/dbraw/zinc/30/63/53/167306353.db2.gz MPKOOWCXDDGCLB-CQSZACIVSA-N 2 2 248.370 2.268 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336684527 167333166 /nfs/dbraw/zinc/33/31/66/167333166.db2.gz ZQGHBIYJNOEXPB-NEPJUHHUSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)SCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336684527 167333170 /nfs/dbraw/zinc/33/31/70/167333170.db2.gz ZQGHBIYJNOEXPB-NEPJUHHUSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767260 167380681 /nfs/dbraw/zinc/38/06/81/167380681.db2.gz DGNVMIZNWVAYPV-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000163869997 487620305 /nfs/dbraw/zinc/62/03/05/487620305.db2.gz LILAMJXMVAZYOE-VXGBXAGGSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000163869997 487620307 /nfs/dbraw/zinc/62/03/07/487620307.db2.gz LILAMJXMVAZYOE-VXGBXAGGSA-N 2 2 231.343 2.427 20 0 BEADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000651668291 411134148 /nfs/dbraw/zinc/13/41/48/411134148.db2.gz FRNMCEBBHKKHGJ-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CC[C@]1(C)CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000651668290 411134366 /nfs/dbraw/zinc/13/43/66/411134366.db2.gz FRNMCEBBHKKHGJ-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000651684980 411136108 /nfs/dbraw/zinc/13/61/08/411136108.db2.gz DYWQHMXBYGJZDR-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000651684980 411136109 /nfs/dbraw/zinc/13/61/09/411136109.db2.gz DYWQHMXBYGJZDR-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000651731995 411139648 /nfs/dbraw/zinc/13/96/48/411139648.db2.gz FWEWAVBHXYMKIZ-WFASDCNBSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000651731995 411139649 /nfs/dbraw/zinc/13/96/49/411139649.db2.gz FWEWAVBHXYMKIZ-WFASDCNBSA-N 2 2 232.371 2.289 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+]CC[NH+]1CCCC1 ZINC000651750072 411140994 /nfs/dbraw/zinc/14/09/94/411140994.db2.gz VDMUSWRZYMYTAT-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911596 411150136 /nfs/dbraw/zinc/15/01/36/411150136.db2.gz KXQYGQYBXMEVHC-WUHRBBMRSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911596 411150137 /nfs/dbraw/zinc/15/01/37/411150137.db2.gz KXQYGQYBXMEVHC-WUHRBBMRSA-N 2 2 224.392 2.351 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)CCO)c[nH+]1 ZINC000652049195 411096195 /nfs/dbraw/zinc/09/61/95/411096195.db2.gz BJAJMELHMZYYME-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@H](C)CCO)c[nH+]1 ZINC000652049195 411096197 /nfs/dbraw/zinc/09/61/97/411096197.db2.gz BJAJMELHMZYYME-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC000658095499 411243271 /nfs/dbraw/zinc/24/32/71/411243271.db2.gz ILLUCMSZIXPBHL-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC000658095499 411243272 /nfs/dbraw/zinc/24/32/72/411243272.db2.gz ILLUCMSZIXPBHL-VOAKCMCISA-N 2 2 224.392 2.493 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658096435 411243714 /nfs/dbraw/zinc/24/37/14/411243714.db2.gz POAQRXPJSWKSSW-NWDGAFQWSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658096435 411243716 /nfs/dbraw/zinc/24/37/16/411243716.db2.gz POAQRXPJSWKSSW-NWDGAFQWSA-N 2 2 242.407 2.262 20 0 BEADLP COC1([C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)CCC1 ZINC000657984509 411189498 /nfs/dbraw/zinc/18/94/98/411189498.db2.gz ILSILNNZLVEJEE-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1c[nH+]c(CCNc2cc[nH+]cc2C)c(C)c1 ZINC000656210972 411210649 /nfs/dbraw/zinc/21/06/49/411210649.db2.gz LZQNCYGIUYESTL-UHFFFAOYSA-N 2 2 241.338 2.478 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000652350213 411211022 /nfs/dbraw/zinc/21/10/22/411211022.db2.gz MIMJFJMXPQRFQY-BXUZGUMPSA-N 2 2 236.334 2.136 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000652350213 411211023 /nfs/dbraw/zinc/21/10/23/411211023.db2.gz MIMJFJMXPQRFQY-BXUZGUMPSA-N 2 2 236.334 2.136 20 0 BEADLP C[C@H]1C[N@H+](CC[NH3+])CCc2ccc(Cl)cc21 ZINC000652353593 411211995 /nfs/dbraw/zinc/21/19/95/411211995.db2.gz UGUJWRJOOLXSPO-JTQLQIEISA-N 2 2 238.762 2.260 20 0 BEADLP C[C@H]1C[N@@H+](CC[NH3+])CCc2ccc(Cl)cc21 ZINC000652353593 411211998 /nfs/dbraw/zinc/21/19/98/411211998.db2.gz UGUJWRJOOLXSPO-JTQLQIEISA-N 2 2 238.762 2.260 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000658039272 411214597 /nfs/dbraw/zinc/21/45/97/411214597.db2.gz XMPVYAPZSIDONK-AGIUHOORSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053864 411221524 /nfs/dbraw/zinc/22/15/24/411221524.db2.gz BSNNXKPHTWBHAI-NEPJUHHUSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053864 411221527 /nfs/dbraw/zinc/22/15/27/411221527.db2.gz BSNNXKPHTWBHAI-NEPJUHHUSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658053871 411221646 /nfs/dbraw/zinc/22/16/46/411221646.db2.gz BSNNXKPHTWBHAI-VXGBXAGGSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658053871 411221649 /nfs/dbraw/zinc/22/16/49/411221649.db2.gz BSNNXKPHTWBHAI-VXGBXAGGSA-N 2 2 212.381 2.493 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054347 411224213 /nfs/dbraw/zinc/22/42/13/411224213.db2.gz DNYJNNHJQRUNGK-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054347 411224215 /nfs/dbraw/zinc/22/42/15/411224215.db2.gz DNYJNNHJQRUNGK-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)CS1 ZINC000655686549 411230358 /nfs/dbraw/zinc/23/03/58/411230358.db2.gz KQIJVZNEPTTWBW-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423307000 411237724 /nfs/dbraw/zinc/23/77/24/411237724.db2.gz GAOUDNFAMZLYCB-LBPRGKRZSA-N 2 2 248.370 2.367 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000423202933 411237834 /nfs/dbraw/zinc/23/78/34/411237834.db2.gz LNXJATJJKWHDJO-WPRPVWTQSA-N 2 2 239.388 2.026 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091078 411242029 /nfs/dbraw/zinc/24/20/29/411242029.db2.gz KTLYZRCSZTUTCP-RYUDHWBXSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091078 411242032 /nfs/dbraw/zinc/24/20/32/411242032.db2.gz KTLYZRCSZTUTCP-RYUDHWBXSA-N 2 2 212.381 2.493 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401654081 411272832 /nfs/dbraw/zinc/27/28/32/411272832.db2.gz SAWKTPRQKAZBPB-FRRDWIJNSA-N 2 2 248.370 2.344 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401665724 411276741 /nfs/dbraw/zinc/27/67/41/411276741.db2.gz HJPPTLFOYNRSDR-GXSJLCMTSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401665725 411276871 /nfs/dbraw/zinc/27/68/71/411276871.db2.gz HJPPTLFOYNRSDR-KOLCDFICSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655718783 411278985 /nfs/dbraw/zinc/27/89/85/411278985.db2.gz MTVJPULHBWRYCF-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655718783 411278986 /nfs/dbraw/zinc/27/89/86/411278986.db2.gz MTVJPULHBWRYCF-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000658192423 411288634 /nfs/dbraw/zinc/28/86/34/411288634.db2.gz JTKMVXAOJSWJKQ-PWSUYJOCSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000658192423 411288636 /nfs/dbraw/zinc/28/86/36/411288636.db2.gz JTKMVXAOJSWJKQ-PWSUYJOCSA-N 2 2 228.355 2.197 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCC2)CC1 ZINC000656539636 411293177 /nfs/dbraw/zinc/29/31/77/411293177.db2.gz ISNQYIOJTPTEGV-UHFFFAOYSA-N 2 2 233.359 2.229 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)c1cccc(O)c1 ZINC000401753971 411318187 /nfs/dbraw/zinc/31/81/87/411318187.db2.gz ZOYIBPGPJWCDEX-DMDPSCGWSA-N 2 2 234.343 2.041 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658285704 411322123 /nfs/dbraw/zinc/32/21/23/411322123.db2.gz MQCZLTYPWOJUAN-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658285704 411322125 /nfs/dbraw/zinc/32/21/25/411322125.db2.gz MQCZLTYPWOJUAN-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658284448 411323033 /nfs/dbraw/zinc/32/30/33/411323033.db2.gz GKAYZJZWGPUJMT-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658284448 411323035 /nfs/dbraw/zinc/32/30/35/411323035.db2.gz GKAYZJZWGPUJMT-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658287505 411323693 /nfs/dbraw/zinc/32/36/93/411323693.db2.gz ZKVZSAFQNLLGAM-FQUUOJAGSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658287505 411323696 /nfs/dbraw/zinc/32/36/96/411323696.db2.gz ZKVZSAFQNLLGAM-FQUUOJAGSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCC1 ZINC000658292876 411325979 /nfs/dbraw/zinc/32/59/79/411325979.db2.gz OBJPVPKQVIILKT-RISCZKNCSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCC1 ZINC000658292876 411325981 /nfs/dbraw/zinc/32/59/81/411325981.db2.gz OBJPVPKQVIILKT-RISCZKNCSA-N 2 2 220.360 2.169 20 0 BEADLP CC1(C)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000284353923 167934910 /nfs/dbraw/zinc/93/49/10/167934910.db2.gz NLRHRJOORLWZKN-NSHDSACASA-N 2 2 207.321 2.051 20 0 BEADLP C[N@H+](Cc1nccc2ccccc21)CC(C)(C)[NH3+] ZINC000656783088 411360404 /nfs/dbraw/zinc/36/04/04/411360404.db2.gz NYDDRWPQDPUNFS-UHFFFAOYSA-N 2 2 243.354 2.404 20 0 BEADLP C[N@@H+](Cc1nccc2ccccc21)CC(C)(C)[NH3+] ZINC000656783088 411360407 /nfs/dbraw/zinc/36/04/07/411360407.db2.gz NYDDRWPQDPUNFS-UHFFFAOYSA-N 2 2 243.354 2.404 20 0 BEADLP C[C@@H]1CCC[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784640 411361344 /nfs/dbraw/zinc/36/13/44/411361344.db2.gz GHOTVCTVGXDPQS-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]1CCC[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784640 411361346 /nfs/dbraw/zinc/36/13/46/411361346.db2.gz GHOTVCTVGXDPQS-VXGBXAGGSA-N 2 2 212.381 2.482 20 0 BEADLP COc1ccc(C)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788705 411368169 /nfs/dbraw/zinc/36/81/69/411368169.db2.gz XJCXXPVDEXNOAN-UHFFFAOYSA-N 2 2 248.370 2.365 20 0 BEADLP C[N@H+](CC[NH+]1CC[C@@H]2C[C@@H]2C1)Cc1ccccc1 ZINC000661966300 411333948 /nfs/dbraw/zinc/33/39/48/411333948.db2.gz GKIRXABFNVRIOC-HZPDHXFCSA-N 2 2 244.382 2.460 20 0 BEADLP C[N@@H+](CC[NH+]1CC[C@@H]2C[C@@H]2C1)Cc1ccccc1 ZINC000661966300 411333951 /nfs/dbraw/zinc/33/39/51/411333951.db2.gz GKIRXABFNVRIOC-HZPDHXFCSA-N 2 2 244.382 2.460 20 0 BEADLP C[NH+](CC[N@@H+]1CC[C@@H]2C[C@@H]2C1)Cc1ccccc1 ZINC000661966300 411333953 /nfs/dbraw/zinc/33/39/53/411333953.db2.gz GKIRXABFNVRIOC-HZPDHXFCSA-N 2 2 244.382 2.460 20 0 BEADLP C[NH+](CC[N@H+]1CC[C@@H]2C[C@@H]2C1)Cc1ccccc1 ZINC000661966300 411333956 /nfs/dbraw/zinc/33/39/56/411333956.db2.gz GKIRXABFNVRIOC-HZPDHXFCSA-N 2 2 244.382 2.460 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000658328046 411336046 /nfs/dbraw/zinc/33/60/46/411336046.db2.gz TWJCLPJULRXLAN-DOMZBBRYSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000658328046 411336048 /nfs/dbraw/zinc/33/60/48/411336048.db2.gz TWJCLPJULRXLAN-DOMZBBRYSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000658328049 411336121 /nfs/dbraw/zinc/33/61/21/411336121.db2.gz TWJCLPJULRXLAN-WFASDCNBSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ccco1 ZINC000658328049 411336124 /nfs/dbraw/zinc/33/61/24/411336124.db2.gz TWJCLPJULRXLAN-WFASDCNBSA-N 2 2 248.370 2.285 20 0 BEADLP CC1=CC[N@H+](CC[NH2+]C2CC(C)(C)C2)CC1 ZINC000336782449 168112923 /nfs/dbraw/zinc/11/29/23/168112923.db2.gz XRLPOKRQBSFPQV-UHFFFAOYSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+]C2CC(C)(C)C2)CC1 ZINC000336782449 168112924 /nfs/dbraw/zinc/11/29/24/168112924.db2.gz XRLPOKRQBSFPQV-UHFFFAOYSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[N@H+](CC[NH2+]Cc2cccc(O)c2)CC1 ZINC000358140209 168113602 /nfs/dbraw/zinc/11/36/02/168113602.db2.gz OSVGKPFZLZCODG-UHFFFAOYSA-N 2 2 246.354 2.134 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(O)c2)CC1 ZINC000358140209 168113604 /nfs/dbraw/zinc/11/36/04/168113604.db2.gz OSVGKPFZLZCODG-UHFFFAOYSA-N 2 2 246.354 2.134 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336472099 168119508 /nfs/dbraw/zinc/11/95/08/168119508.db2.gz CEDNCLHZJMXDJW-OLZOCXBDSA-N 2 2 231.343 2.286 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777865 168156667 /nfs/dbraw/zinc/15/66/67/168156667.db2.gz JSKFKBYNLBTBGK-YIOUJQMASA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C)CC1 ZINC000336777865 168156668 /nfs/dbraw/zinc/15/66/68/168156668.db2.gz JSKFKBYNLBTBGK-YIOUJQMASA-N 2 2 224.392 2.352 20 0 BEADLP CC1CCC([N@H+](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000042488227 168159807 /nfs/dbraw/zinc/15/98/07/168159807.db2.gz MPGQQAJKUYOEML-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([N@@H+](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000042488227 168159809 /nfs/dbraw/zinc/15/98/09/168159809.db2.gz MPGQQAJKUYOEML-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000053344117 168162804 /nfs/dbraw/zinc/16/28/04/168162804.db2.gz KYYQPRWTKHQHLB-UHFFFAOYSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000053344117 168162806 /nfs/dbraw/zinc/16/28/06/168162806.db2.gz KYYQPRWTKHQHLB-UHFFFAOYSA-N 2 2 212.381 2.495 20 0 BEADLP CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683911 168164364 /nfs/dbraw/zinc/16/43/64/168164364.db2.gz YDWQNCSXFIYZBQ-WXRRBKDZSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683911 168164365 /nfs/dbraw/zinc/16/43/65/168164365.db2.gz YDWQNCSXFIYZBQ-WXRRBKDZSA-N 2 2 222.376 2.391 20 0 BEADLP CC1CCC([NH2+][C@H]2C[NH+]3CCC2CC3)CC1 ZINC000019946137 168165891 /nfs/dbraw/zinc/16/58/91/168165891.db2.gz FHYYCDQSLBVNKT-UBHUBRDASA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000309778675 168186068 /nfs/dbraw/zinc/18/60/68/168186068.db2.gz QLLZJJUXLYHRDC-MCIONIFRSA-N 2 2 224.392 2.352 20 0 BEADLP CCC(=O)CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290188224 168198929 /nfs/dbraw/zinc/19/89/29/168198929.db2.gz ZUQOBIZWTZHGGA-UHFFFAOYSA-N 2 2 249.358 2.348 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C)C2)n1C ZINC000657300102 411455389 /nfs/dbraw/zinc/45/53/89/411455389.db2.gz IIGHGXPDNJQTPI-CMPLNLGQSA-N 2 2 221.348 2.397 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC1CCCC1)CCC2 ZINC000657301002 411457788 /nfs/dbraw/zinc/45/77/88/411457788.db2.gz XQVUMEFJMLAHAW-UHFFFAOYSA-N 2 2 219.332 2.109 20 0 BEADLP c1cc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cs1 ZINC000657300543 411458629 /nfs/dbraw/zinc/45/86/29/411458629.db2.gz PRTUFUMNNDWJLD-UHFFFAOYSA-N 2 2 247.367 2.223 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCO1 ZINC000217621489 411460120 /nfs/dbraw/zinc/46/01/20/411460120.db2.gz HOCHMQQRBPDLDZ-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC000217621489 411460121 /nfs/dbraw/zinc/46/01/21/411460121.db2.gz HOCHMQQRBPDLDZ-MBNYWOFBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CCO1 ZINC000217621683 411460585 /nfs/dbraw/zinc/46/05/85/411460585.db2.gz HOCHMQQRBPDLDZ-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CCO1 ZINC000217621683 411460587 /nfs/dbraw/zinc/46/05/87/411460587.db2.gz HOCHMQQRBPDLDZ-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1c[nH]c(CNc2cccc(C)[nH+]2)[nH+]1 ZINC000657320191 411461993 /nfs/dbraw/zinc/46/19/93/411461993.db2.gz WPDBPQDODYHGIW-UHFFFAOYSA-N 2 2 202.261 2.034 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000653590260 411425932 /nfs/dbraw/zinc/42/59/32/411425932.db2.gz WPBLLEVMBFNIBY-CYBMUJFWSA-N 2 2 231.343 2.320 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000653590260 411425934 /nfs/dbraw/zinc/42/59/34/411425934.db2.gz WPBLLEVMBFNIBY-CYBMUJFWSA-N 2 2 231.343 2.320 20 0 BEADLP Cc1c[nH]c(CNc2[nH+]cccc2C)[nH+]1 ZINC000657317829 411462872 /nfs/dbraw/zinc/46/28/72/411462872.db2.gz IBHDUQUVUJKUFD-UHFFFAOYSA-N 2 2 202.261 2.034 20 0 BEADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657285865 411444676 /nfs/dbraw/zinc/44/46/76/411444676.db2.gz NLWQOUZTBLEJFR-UHFFFAOYSA-N 2 2 245.301 2.258 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657285855 411444900 /nfs/dbraw/zinc/44/49/00/411444900.db2.gz MZSLRTBHWNZDQG-WCQYABFASA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@H+](C)C1CC1 ZINC000217594428 411450985 /nfs/dbraw/zinc/45/09/85/411450985.db2.gz ZEZAPXXZJPONGS-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000217594428 411450987 /nfs/dbraw/zinc/45/09/87/411450987.db2.gz ZEZAPXXZJPONGS-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657330451 411467397 /nfs/dbraw/zinc/46/73/97/411467397.db2.gz WASWFTFULHUVAN-WDEREUQCSA-N 2 2 221.348 2.354 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350873 411475833 /nfs/dbraw/zinc/47/58/33/411475833.db2.gz GFIUPIBGOZSXTE-CMPLNLGQSA-N 2 2 219.332 2.108 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657362033 411479294 /nfs/dbraw/zinc/47/92/94/411479294.db2.gz VYVOFFLTOQBHRU-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC=CCC1)CCC2 ZINC000657368511 411479967 /nfs/dbraw/zinc/47/99/67/411479967.db2.gz XXRUMPBHWIPMOW-NSHDSACASA-N 2 2 217.316 2.028 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)co1 ZINC000659882543 411490117 /nfs/dbraw/zinc/49/01/17/411490117.db2.gz ISKSNBIVNWFLGN-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)co1 ZINC000659882543 411490120 /nfs/dbraw/zinc/49/01/20/411490120.db2.gz ISKSNBIVNWFLGN-ZDUSSCGKSA-N 2 2 246.314 2.017 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)CO1 ZINC000657391009 411491714 /nfs/dbraw/zinc/49/17/14/411491714.db2.gz LXJNOONBBUTYFM-QWHCGFSZSA-N 2 2 249.358 2.041 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117195 411492600 /nfs/dbraw/zinc/49/26/00/411492600.db2.gz BXJMAVIMWBWGJE-REJLFOLJSA-N 2 2 248.345 2.208 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000415117195 411492602 /nfs/dbraw/zinc/49/26/02/411492602.db2.gz BXJMAVIMWBWGJE-REJLFOLJSA-N 2 2 248.345 2.208 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657394675 411494292 /nfs/dbraw/zinc/49/42/92/411494292.db2.gz MNOLTFWXWIQCNQ-YPMHNXCESA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H](C[NH2+]CCC(C)(C)C)[N@H+](C)C1CC1 ZINC000187877905 411495096 /nfs/dbraw/zinc/49/50/96/411495096.db2.gz XJQMAJAYUPGXMD-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH2+]CCC(C)(C)C)[N@@H+](C)C1CC1 ZINC000187877905 411495100 /nfs/dbraw/zinc/49/51/00/411495100.db2.gz XJQMAJAYUPGXMD-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(F)(F)C2)n1C ZINC000657399386 411495407 /nfs/dbraw/zinc/49/54/07/411495407.db2.gz UNHZVENZGVZNNL-SECBINFHSA-N 2 2 229.274 2.006 20 0 BEADLP Cc1[nH+]cn(Cc2ccc(N(C)C)[nH+]c2)c1C ZINC000659926429 411500400 /nfs/dbraw/zinc/50/04/00/411500400.db2.gz WYRXYBHAVQUMBG-UHFFFAOYSA-N 2 2 230.315 2.009 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)CO1 ZINC000657417325 411500798 /nfs/dbraw/zinc/50/07/98/411500798.db2.gz MJPZWXSVNBZKQI-KBPBESRZSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cnccc2C)n1C ZINC000657425685 411505126 /nfs/dbraw/zinc/50/51/26/411505126.db2.gz SEQVLBWXNUCYEZ-LLVKDONJSA-N 2 2 244.342 2.283 20 0 BEADLP C[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657438179 411510470 /nfs/dbraw/zinc/51/04/70/411510470.db2.gz VSRXEDKXFLPONE-QMMMGPOBSA-N 2 2 247.264 2.260 20 0 BEADLP [NH3+]C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000307515396 411514349 /nfs/dbraw/zinc/51/43/49/411514349.db2.gz GVMCDRIODSYLRC-UHFFFAOYSA-N 2 2 230.764 2.325 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657465796 411519312 /nfs/dbraw/zinc/51/93/12/411519312.db2.gz HXRLMYXJEPURND-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657465796 411519315 /nfs/dbraw/zinc/51/93/15/411519315.db2.gz HXRLMYXJEPURND-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657465794 411520061 /nfs/dbraw/zinc/52/00/61/411520061.db2.gz HXRLMYXJEPURND-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657465794 411520063 /nfs/dbraw/zinc/52/00/63/411520063.db2.gz HXRLMYXJEPURND-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1c[nH]c(CNc2ccc3c([nH+]2)CCC3)[nH+]1 ZINC000657484169 411529014 /nfs/dbraw/zinc/52/90/14/411529014.db2.gz DDHRHNYSMOQOEG-UHFFFAOYSA-N 2 2 228.299 2.214 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H](C1CC1)C1CCC1)CCC2 ZINC000657486989 411530916 /nfs/dbraw/zinc/53/09/16/411530916.db2.gz FABKBJIQEHLESH-OAHLLOKOSA-N 2 2 245.370 2.498 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749900 170009429 /nfs/dbraw/zinc/00/94/29/170009429.db2.gz NCGKFFDTAPTPOX-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749900 170009430 /nfs/dbraw/zinc/00/94/30/170009430.db2.gz NCGKFFDTAPTPOX-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749900 170009432 /nfs/dbraw/zinc/00/94/32/170009432.db2.gz NCGKFFDTAPTPOX-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccnc2)C[C@@H]1C ZINC000353749900 170009433 /nfs/dbraw/zinc/00/94/33/170009433.db2.gz NCGKFFDTAPTPOX-DZGCQCFKSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336905099 170013760 /nfs/dbraw/zinc/01/37/60/170013760.db2.gz WMPKSYTVKZSBJS-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336905099 170013761 /nfs/dbraw/zinc/01/37/61/170013761.db2.gz WMPKSYTVKZSBJS-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP Cn1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857737 411538748 /nfs/dbraw/zinc/53/87/48/411538748.db2.gz VCSWTZVEFDXMPL-GJZGRUSLSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857737 411538749 /nfs/dbraw/zinc/53/87/49/411538749.db2.gz VCSWTZVEFDXMPL-GJZGRUSLSA-N 2 2 247.386 2.132 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000328151195 170022466 /nfs/dbraw/zinc/02/24/66/170022466.db2.gz DNYAIWNWCCHJPY-YPMHNXCESA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000328151195 170022467 /nfs/dbraw/zinc/02/24/67/170022467.db2.gz DNYAIWNWCCHJPY-YPMHNXCESA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCF ZINC000367554318 170024212 /nfs/dbraw/zinc/02/42/12/170024212.db2.gz TZWMWSGAODHCRL-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCF ZINC000367554318 170024213 /nfs/dbraw/zinc/02/42/13/170024213.db2.gz TZWMWSGAODHCRL-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCF ZINC000367554318 170024214 /nfs/dbraw/zinc/02/42/14/170024214.db2.gz TZWMWSGAODHCRL-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCF ZINC000367554318 170024215 /nfs/dbraw/zinc/02/42/15/170024215.db2.gz TZWMWSGAODHCRL-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000358104905 170029299 /nfs/dbraw/zinc/02/92/99/170029299.db2.gz ZVJZNZSCMOFSCT-ZBFHGGJFSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000358104905 170029301 /nfs/dbraw/zinc/02/93/01/170029301.db2.gz ZVJZNZSCMOFSCT-ZBFHGGJFSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000336782271 170029800 /nfs/dbraw/zinc/02/98/00/170029800.db2.gz XDEJUUWHLRPOJC-NEPJUHHUSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000336782271 170029803 /nfs/dbraw/zinc/02/98/03/170029803.db2.gz XDEJUUWHLRPOJC-NEPJUHHUSA-N 2 2 228.355 2.199 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC)CCC2)C1 ZINC000309986750 170029981 /nfs/dbraw/zinc/02/99/81/170029981.db2.gz YQDFKESSAJWNGN-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC)CCC2)C1 ZINC000309986750 170029982 /nfs/dbraw/zinc/02/99/82/170029982.db2.gz YQDFKESSAJWNGN-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000358353405 170030672 /nfs/dbraw/zinc/03/06/72/170030672.db2.gz OJBWNGKJTPTDCJ-OCCSQVGLSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000358353405 170030673 /nfs/dbraw/zinc/03/06/73/170030673.db2.gz OJBWNGKJTPTDCJ-OCCSQVGLSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000358152078 170031096 /nfs/dbraw/zinc/03/10/96/170031096.db2.gz DOIKQVCCFZRCGU-GDBMZVCRSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000358152078 170031098 /nfs/dbraw/zinc/03/10/98/170031098.db2.gz DOIKQVCCFZRCGU-GDBMZVCRSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2(C)CC2)C1 ZINC000309044327 170031512 /nfs/dbraw/zinc/03/15/12/170031512.db2.gz NJBZITMIXGEEKS-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2(C)CC2)C1 ZINC000309044327 170031513 /nfs/dbraw/zinc/03/15/13/170031513.db2.gz NJBZITMIXGEEKS-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCCS2)[C@@H](C)C1 ZINC000336782749 170035037 /nfs/dbraw/zinc/03/50/37/170035037.db2.gz YRUJQRDLOUWZML-XQQFMLRXSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCCS2)[C@@H](C)C1 ZINC000336782749 170035038 /nfs/dbraw/zinc/03/50/38/170035038.db2.gz YRUJQRDLOUWZML-XQQFMLRXSA-N 2 2 242.432 2.202 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC000309678125 170035589 /nfs/dbraw/zinc/03/55/89/170035589.db2.gz YMBATAXDOBFODO-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000358352916 170035878 /nfs/dbraw/zinc/03/58/78/170035878.db2.gz OJBWNGKJTPTDCJ-JSGCOSHPSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]CC2(C3CC3)CCC2)[C@@H](C)C1 ZINC000358352916 170035880 /nfs/dbraw/zinc/03/58/80/170035880.db2.gz OJBWNGKJTPTDCJ-JSGCOSHPSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@H]2C)C1 ZINC000309916661 170038199 /nfs/dbraw/zinc/03/81/99/170038199.db2.gz PSPDHJMFVUFDHD-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCC[C@H]2C)C1 ZINC000309916661 170038200 /nfs/dbraw/zinc/03/82/00/170038200.db2.gz PSPDHJMFVUFDHD-XJFOESAGSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527680 411541399 /nfs/dbraw/zinc/54/13/99/411541399.db2.gz XHZRBLJWZZIMNF-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000657527680 411541401 /nfs/dbraw/zinc/54/14/01/411541401.db2.gz XHZRBLJWZZIMNF-XQHKEYJVSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000657524754 411542228 /nfs/dbraw/zinc/54/22/28/411542228.db2.gz QXJSAGXEOFOBLU-CYBMUJFWSA-N 2 2 233.359 2.044 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)O1 ZINC000657526464 411542823 /nfs/dbraw/zinc/54/28/23/411542823.db2.gz HRGRARZVOGPSRK-XQHKEYJVSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)[C@H](C)O1 ZINC000657526464 411542825 /nfs/dbraw/zinc/54/28/25/411542825.db2.gz HRGRARZVOGPSRK-XQHKEYJVSA-N 2 2 240.391 2.015 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526690 411542997 /nfs/dbraw/zinc/54/29/97/411542997.db2.gz LIUSPWDFHNAJKD-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526690 411543000 /nfs/dbraw/zinc/54/30/00/411543000.db2.gz LIUSPWDFHNAJKD-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657527061 411543675 /nfs/dbraw/zinc/54/36/75/411543675.db2.gz PVQRIYNPGYUSCY-CHWSQXEVSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657527061 411543677 /nfs/dbraw/zinc/54/36/77/411543677.db2.gz PVQRIYNPGYUSCY-CHWSQXEVSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657527068 411543853 /nfs/dbraw/zinc/54/38/53/411543853.db2.gz PVQRIYNPGYUSCY-STQMWFEESA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657527068 411543855 /nfs/dbraw/zinc/54/38/55/411543855.db2.gz PVQRIYNPGYUSCY-STQMWFEESA-N 2 2 242.407 2.262 20 0 BEADLP C1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CS1 ZINC000655848678 411536844 /nfs/dbraw/zinc/53/68/44/411536844.db2.gz JPUMOXDINRNAFW-RWMBFGLXSA-N 2 2 240.416 2.098 20 0 BEADLP C1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CS1 ZINC000655848678 411536845 /nfs/dbraw/zinc/53/68/45/411536845.db2.gz JPUMOXDINRNAFW-RWMBFGLXSA-N 2 2 240.416 2.098 20 0 BEADLP CC[C@@H](C)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657586513 411557260 /nfs/dbraw/zinc/55/72/60/411557260.db2.gz JFBAUTJCWTUJJX-LLVKDONJSA-N 2 2 238.379 2.012 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@@H+]1C1CC1 ZINC000657654043 411570714 /nfs/dbraw/zinc/57/07/14/411570714.db2.gz QHDTUHUXEYDUJI-AAEUAGOBSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2ccoc2)C[N@H+]1C1CC1 ZINC000657654043 411570715 /nfs/dbraw/zinc/57/07/15/411570715.db2.gz QHDTUHUXEYDUJI-AAEUAGOBSA-N 2 2 234.343 2.037 20 0 BEADLP CCOC1CC([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC000124457342 170328933 /nfs/dbraw/zinc/32/89/33/170328933.db2.gz DPZABODWCCTEGA-MOKVOYLWSA-N 2 2 242.407 2.120 20 0 BEADLP CCOC1CC([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000124458785 170329797 /nfs/dbraw/zinc/32/97/97/170329797.db2.gz COIVEZQMHPKNFW-IYXRBSQSSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000657741139 411588928 /nfs/dbraw/zinc/58/89/28/411588928.db2.gz DMWMRUQTHFXPJR-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000657741139 411588930 /nfs/dbraw/zinc/58/89/30/411588930.db2.gz DMWMRUQTHFXPJR-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C(C)C)C2CC2)n1C ZINC000657757313 411590147 /nfs/dbraw/zinc/59/01/47/411590147.db2.gz QDTJKVPEKSPCHC-ZDUSSCGKSA-N 2 2 221.348 2.253 20 0 BEADLP c1coc(CCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657781997 411597457 /nfs/dbraw/zinc/59/74/57/411597457.db2.gz HSENGQHSBAXOOH-UHFFFAOYSA-N 2 2 245.326 2.145 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657818392 411605724 /nfs/dbraw/zinc/60/57/24/411605724.db2.gz ARGOENNFIPIORP-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000657818392 411605725 /nfs/dbraw/zinc/60/57/25/411605725.db2.gz ARGOENNFIPIORP-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000657822144 411607350 /nfs/dbraw/zinc/60/73/50/411607350.db2.gz WKQHFZSBYLVXGC-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000657822144 411607352 /nfs/dbraw/zinc/60/73/52/411607352.db2.gz WKQHFZSBYLVXGC-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C(F)F ZINC000657826498 411608558 /nfs/dbraw/zinc/60/85/58/411608558.db2.gz VDMJAPKUMDNCOI-SNVBAGLBSA-N 2 2 234.334 2.352 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCCSCC1 ZINC000657830273 411608784 /nfs/dbraw/zinc/60/87/84/411608784.db2.gz GNTNKOFMFKCYIH-ZDUSSCGKSA-N 2 2 242.432 2.348 20 0 BEADLP FCC1(CF)CC([NH2+]CC[NH+]2CCCCC2)C1 ZINC000657831168 411608892 /nfs/dbraw/zinc/60/88/92/411608892.db2.gz SGBQJEFOIPHZNK-UHFFFAOYSA-N 2 2 246.345 2.150 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657865184 411612946 /nfs/dbraw/zinc/61/29/46/411612946.db2.gz QIUJTUHTKNLEFU-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657865184 411612947 /nfs/dbraw/zinc/61/29/47/411612947.db2.gz QIUJTUHTKNLEFU-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCSCC1 ZINC000657866284 411613116 /nfs/dbraw/zinc/61/31/16/411613116.db2.gz ZDFBNWLKIZLHNW-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCSCC1 ZINC000657866284 411613118 /nfs/dbraw/zinc/61/31/18/411613118.db2.gz ZDFBNWLKIZLHNW-GFCCVEGCSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@H](CNc1[nH+]ccc2c(N)cccc21)[NH+](C)C ZINC000663438729 411659469 /nfs/dbraw/zinc/65/94/69/411659469.db2.gz JEZRBEBLNKTQLB-SNVBAGLBSA-N 2 2 244.342 2.179 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000663500855 411683058 /nfs/dbraw/zinc/68/30/58/411683058.db2.gz PFDXFEBTYNIPDG-LBPRGKRZSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000663500855 411683059 /nfs/dbraw/zinc/68/30/59/411683059.db2.gz PFDXFEBTYNIPDG-LBPRGKRZSA-N 2 2 210.365 2.236 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933404 411683252 /nfs/dbraw/zinc/68/32/52/411683252.db2.gz QAKZNOOCPWHUBQ-STQMWFEESA-N 2 2 219.332 2.066 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933404 411683254 /nfs/dbraw/zinc/68/32/54/411683254.db2.gz QAKZNOOCPWHUBQ-STQMWFEESA-N 2 2 219.332 2.066 20 0 BEADLP Clc1ccsc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501313 411685252 /nfs/dbraw/zinc/68/52/52/411685252.db2.gz VBRXJKVKYURHMR-UHFFFAOYSA-N 2 2 242.775 2.243 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502853 411686495 /nfs/dbraw/zinc/68/64/95/411686495.db2.gz YDRSXCVZSFYQBE-DAXSKMNVSA-N 2 2 228.339 2.041 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000663509218 411693730 /nfs/dbraw/zinc/69/37/30/411693730.db2.gz IMCWHTDKVPTKLO-HMDXOVGESA-N 2 2 240.297 2.176 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000663514683 411695272 /nfs/dbraw/zinc/69/52/72/411695272.db2.gz RZXWERQGTKEKDH-VIFPVBQESA-N 2 2 249.383 2.302 20 0 BEADLP c1cn(CC[NH+]2CCC(C3CCC3)CC2)c[nH+]1 ZINC000661375405 411759002 /nfs/dbraw/zinc/75/90/02/411759002.db2.gz ZWXFZMJIXUDZHM-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP Fc1ccc([C@H]2CC[N@@H+]2CCn2cc[nH+]c2)cc1 ZINC000661513234 411793811 /nfs/dbraw/zinc/79/38/11/411793811.db2.gz NBEXWCFHHRUQRB-CQSZACIVSA-N 2 2 245.301 2.469 20 0 BEADLP Fc1ccc([C@H]2CC[N@H+]2CCn2cc[nH+]c2)cc1 ZINC000661513234 411793816 /nfs/dbraw/zinc/79/38/16/411793816.db2.gz NBEXWCFHHRUQRB-CQSZACIVSA-N 2 2 245.301 2.469 20 0 BEADLP Cc1cc(NCC[C@H](C)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000664243205 411894585 /nfs/dbraw/zinc/89/45/85/411894585.db2.gz JPXODJYNSCMQKE-NSHDSACASA-N 2 2 248.374 2.415 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662045505 411963837 /nfs/dbraw/zinc/96/38/37/411963837.db2.gz YAVPSVQUQHHSJL-AWEZNQCLSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662045505 411963841 /nfs/dbraw/zinc/96/38/41/411963841.db2.gz YAVPSVQUQHHSJL-AWEZNQCLSA-N 2 2 247.386 2.475 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000662045490 411962972 /nfs/dbraw/zinc/96/29/72/411962972.db2.gz XQPTZLBLKLSJKQ-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000662045490 411962978 /nfs/dbraw/zinc/96/29/78/411962978.db2.gz XQPTZLBLKLSJKQ-CQSZACIVSA-N 2 2 233.359 2.395 20 0 BEADLP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[NH2+]CC1 ZINC000662239703 412038083 /nfs/dbraw/zinc/03/80/83/412038083.db2.gz FQZULWMOEHJDPN-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C)CCCC[C@H]1C[N@H+]1CCC[NH2+]CC1 ZINC000662239703 412038084 /nfs/dbraw/zinc/03/80/84/412038084.db2.gz FQZULWMOEHJDPN-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000336766850 171041780 /nfs/dbraw/zinc/04/17/80/171041780.db2.gz RXNLRXNHQXRHBY-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000336766850 171041783 /nfs/dbraw/zinc/04/17/83/171041783.db2.gz RXNLRXNHQXRHBY-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@@H]1O ZINC000289240194 171080720 /nfs/dbraw/zinc/08/07/20/171080720.db2.gz LAQJKUMHRQVEDJ-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@@H]1O ZINC000289240194 171080722 /nfs/dbraw/zinc/08/07/22/171080722.db2.gz LAQJKUMHRQVEDJ-HIFRSBDPSA-N 2 2 248.370 2.025 20 0 BEADLP CC[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000288987847 171080908 /nfs/dbraw/zinc/08/09/08/171080908.db2.gz CWCHSHWQHZZUDG-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000288987847 171080910 /nfs/dbraw/zinc/08/09/10/171080910.db2.gz CWCHSHWQHZZUDG-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC[C@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181099844 171272710 /nfs/dbraw/zinc/27/27/10/171272710.db2.gz OWIITCFSKFMOOB-LBPRGKRZSA-N 2 2 209.337 2.251 20 0 BEADLP CC[C@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181099844 171272713 /nfs/dbraw/zinc/27/27/13/171272713.db2.gz OWIITCFSKFMOOB-LBPRGKRZSA-N 2 2 209.337 2.251 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336687311 171282189 /nfs/dbraw/zinc/28/21/89/171282189.db2.gz XODGTDYKHBZZRA-RYUDHWBXSA-N 2 2 221.348 2.256 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336687311 171282191 /nfs/dbraw/zinc/28/21/91/171282191.db2.gz XODGTDYKHBZZRA-RYUDHWBXSA-N 2 2 221.348 2.256 20 0 BEADLP CC[C@H](C)[N@H+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000263996613 171308808 /nfs/dbraw/zinc/30/88/08/171308808.db2.gz FIJGGQOVBRNZEW-JTQLQIEISA-N 2 2 247.346 2.100 20 0 BEADLP CC[C@H](C)[N@@H+](C)CCNc1[nH+]cnc2[nH]ccc21 ZINC000263996613 171308811 /nfs/dbraw/zinc/30/88/11/171308811.db2.gz FIJGGQOVBRNZEW-JTQLQIEISA-N 2 2 247.346 2.100 20 0 BEADLP CC[C@H](C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000268919043 171340423 /nfs/dbraw/zinc/34/04/23/171340423.db2.gz UCRIDFLGPZKOAK-ZDUSSCGKSA-N 2 2 246.398 2.474 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201691 171340827 /nfs/dbraw/zinc/34/08/27/171340827.db2.gz APNDAMVXOVUPIG-NWDGAFQWSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366207405 171340879 /nfs/dbraw/zinc/34/08/79/171340879.db2.gz AYLBTYDURKMVCJ-JQWIXIFHSA-N 2 2 221.348 2.457 20 0 BEADLP CC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201697 171342340 /nfs/dbraw/zinc/34/23/40/171342340.db2.gz APNDAMVXOVUPIG-RYUDHWBXSA-N 2 2 200.370 2.351 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000252428997 171366555 /nfs/dbraw/zinc/36/65/55/171366555.db2.gz LHJGJUJHJQVARB-QJPTWQEYSA-N 2 2 209.337 2.296 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000310019372 171366964 /nfs/dbraw/zinc/36/69/64/171366964.db2.gz MJPMBKBGDTUKNY-HBNTYKKESA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000310019372 171366965 /nfs/dbraw/zinc/36/69/65/171366965.db2.gz MJPMBKBGDTUKNY-HBNTYKKESA-N 2 2 221.348 2.291 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[NH+](CC)CC ZINC000020089780 171389124 /nfs/dbraw/zinc/38/91/24/171389124.db2.gz LNWJKMWVEAHUOZ-RYUDHWBXSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000336741415 171391422 /nfs/dbraw/zinc/39/14/22/171391422.db2.gz QZYNHBSMUHNTFK-OPDFLTKYSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000336741415 171391424 /nfs/dbraw/zinc/39/14/24/171391424.db2.gz QZYNHBSMUHNTFK-OPDFLTKYSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]([NH2+]CC[NH3+])c1ccccc1F ZINC000662302005 412088902 /nfs/dbraw/zinc/08/89/02/412088902.db2.gz JQLFDHDNPNRYCV-GFCCVEGCSA-N 2 2 210.296 2.071 20 0 BEADLP CCC[N@@H+](Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000662317399 412098178 /nfs/dbraw/zinc/09/81/78/412098178.db2.gz XTVYZVJGHLIFHR-NSHDSACASA-N 2 2 224.323 2.385 20 0 BEADLP CCC[N@H+](Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000662317399 412098185 /nfs/dbraw/zinc/09/81/85/412098185.db2.gz XTVYZVJGHLIFHR-NSHDSACASA-N 2 2 224.323 2.385 20 0 BEADLP Fc1cccc2c1CC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276351 412219548 /nfs/dbraw/zinc/21/95/48/412219548.db2.gz ARPPWLWQDFHXTL-CUMGRINNSA-N 2 2 246.329 2.155 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H](C3CCC3)C2)c[nH+]1 ZINC000665288353 412233117 /nfs/dbraw/zinc/23/31/17/412233117.db2.gz KSGXAYAWKVTODD-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H](C3CCC3)C2)c[nH+]1 ZINC000665288353 412233121 /nfs/dbraw/zinc/23/31/21/412233121.db2.gz KSGXAYAWKVTODD-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665293865 412237204 /nfs/dbraw/zinc/23/72/04/412237204.db2.gz DRMAKPNFXSOJJU-NWDGAFQWSA-N 2 2 236.359 2.344 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000665294835 412237408 /nfs/dbraw/zinc/23/74/08/412237408.db2.gz XKSLYSFCOJQSFQ-RISCZKNCSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000665293902 412238581 /nfs/dbraw/zinc/23/85/81/412238581.db2.gz FAAOQHZJXUYGRG-VXGBXAGGSA-N 2 2 236.359 2.262 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000665294371 412238628 /nfs/dbraw/zinc/23/86/28/412238628.db2.gz NNKGHXIYKQDIPT-NEPJUHHUSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000665294070 412238984 /nfs/dbraw/zinc/23/89/84/412238984.db2.gz HNANWQPAFCCJLF-IAQYHMDHSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000665293703 412239111 /nfs/dbraw/zinc/23/91/11/412239111.db2.gz BDKDZYILQNXQSO-ZJUUUORDSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000665294439 412239505 /nfs/dbraw/zinc/23/95/05/412239505.db2.gz OVOINEBLHMUKPU-ZJUUUORDSA-N 2 2 212.362 2.315 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000665295657 412243267 /nfs/dbraw/zinc/24/32/67/412243267.db2.gz HIBJKIVATNKDPI-YPMHNXCESA-N 2 2 234.343 2.098 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000665296851 412243918 /nfs/dbraw/zinc/24/39/18/412243918.db2.gz YTTJXGGNXCUYHT-MJVIPROJSA-N 2 2 218.344 2.117 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccsc1 ZINC000665298529 412245882 /nfs/dbraw/zinc/24/58/82/412245882.db2.gz XJJWPLHYSZJJFQ-ONGXEEELSA-N 2 2 212.362 2.397 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]C1CC2(CCC2)C1 ZINC000309041106 172394693 /nfs/dbraw/zinc/39/46/93/172394693.db2.gz LIBSDXULCVFAFI-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000336776181 172398062 /nfs/dbraw/zinc/39/80/62/172398062.db2.gz DZJXPTMYYBSOSD-CHWSQXEVSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000221149689 173034348 /nfs/dbraw/zinc/03/43/48/173034348.db2.gz NADNWLLXHKAZCI-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000221149689 173034351 /nfs/dbraw/zinc/03/43/51/173034351.db2.gz NADNWLLXHKAZCI-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@@H+](Cc1ccco1)C[C@H]1CCC[NH+](C)C1 ZINC000104095912 173042659 /nfs/dbraw/zinc/04/26/59/173042659.db2.gz YQZLYXMGNWPJSJ-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP C[N@H+](Cc1ccco1)C[C@H]1CCC[NH+](C)C1 ZINC000104095912 173042660 /nfs/dbraw/zinc/04/26/60/173042660.db2.gz YQZLYXMGNWPJSJ-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccco1)C[C@H]1CCC[N@H+](C)C1 ZINC000104095912 173042662 /nfs/dbraw/zinc/04/26/62/173042662.db2.gz YQZLYXMGNWPJSJ-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccco1)C[C@H]1CCC[N@@H+](C)C1 ZINC000104095912 173042663 /nfs/dbraw/zinc/04/26/63/173042663.db2.gz YQZLYXMGNWPJSJ-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328174112 487625941 /nfs/dbraw/zinc/62/59/41/487625941.db2.gz KTQDIJGSJABIOC-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328174112 487625948 /nfs/dbraw/zinc/62/59/48/487625948.db2.gz KTQDIJGSJABIOC-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000042543759 173123822 /nfs/dbraw/zinc/12/38/22/173123822.db2.gz BURUZAIBZZOWNP-GFCCVEGCSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000042543759 173123823 /nfs/dbraw/zinc/12/38/23/173123823.db2.gz BURUZAIBZZOWNP-GFCCVEGCSA-N 2 2 224.735 2.134 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542708 173134227 /nfs/dbraw/zinc/13/42/27/173134227.db2.gz CFPOCJAGEFHOBS-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542708 173134229 /nfs/dbraw/zinc/13/42/29/173134229.db2.gz CFPOCJAGEFHOBS-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542708 173134232 /nfs/dbraw/zinc/13/42/32/173134232.db2.gz CFPOCJAGEFHOBS-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3)[C@H]2C1 ZINC000272542708 173134235 /nfs/dbraw/zinc/13/42/35/173134235.db2.gz CFPOCJAGEFHOBS-HIFRSBDPSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3F)C2)C1 ZINC000292202516 173141659 /nfs/dbraw/zinc/14/16/59/173141659.db2.gz SJKWXPRJAKGWRA-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3F)C2)C1 ZINC000292202516 173141663 /nfs/dbraw/zinc/14/16/63/173141663.db2.gz SJKWXPRJAKGWRA-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000292202516 173141664 /nfs/dbraw/zinc/14/16/64/173141664.db2.gz SJKWXPRJAKGWRA-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000292202516 173141669 /nfs/dbraw/zinc/14/16/69/173141669.db2.gz SJKWXPRJAKGWRA-OAHLLOKOSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706350 173160698 /nfs/dbraw/zinc/16/06/98/173160698.db2.gz ZTCAWLVMQZNSNR-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706350 173160699 /nfs/dbraw/zinc/16/06/99/173160699.db2.gz ZTCAWLVMQZNSNR-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706350 173160702 /nfs/dbraw/zinc/16/07/02/173160702.db2.gz ZTCAWLVMQZNSNR-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000272706350 173160704 /nfs/dbraw/zinc/16/07/04/173160704.db2.gz ZTCAWLVMQZNSNR-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3F)C2)C1 ZINC000292202513 173167138 /nfs/dbraw/zinc/16/71/38/173167138.db2.gz SJKWXPRJAKGWRA-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3F)C2)C1 ZINC000292202513 173167140 /nfs/dbraw/zinc/16/71/40/173167140.db2.gz SJKWXPRJAKGWRA-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000292202513 173167143 /nfs/dbraw/zinc/16/71/43/173167143.db2.gz SJKWXPRJAKGWRA-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC000292202513 173167145 /nfs/dbraw/zinc/16/71/45/173167145.db2.gz SJKWXPRJAKGWRA-HNNXBMFYSA-N 2 2 248.345 2.353 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000161258241 173355987 /nfs/dbraw/zinc/35/59/87/173355987.db2.gz ILMKNFUCOROTFM-UHFFFAOYSA-N 2 2 233.142 2.302 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000039781779 173368957 /nfs/dbraw/zinc/36/89/57/173368957.db2.gz URNXNUIOMPIGPF-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1 ZINC000039781779 173368959 /nfs/dbraw/zinc/36/89/59/173368959.db2.gz URNXNUIOMPIGPF-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000133218733 173369108 /nfs/dbraw/zinc/36/91/08/173369108.db2.gz CXIVNQIFPJGTPJ-BOSPYUDASA-N 2 2 230.355 2.384 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000133218733 173369110 /nfs/dbraw/zinc/36/91/10/173369110.db2.gz CXIVNQIFPJGTPJ-BOSPYUDASA-N 2 2 230.355 2.384 20 0 BEADLP C[NH2+]C[C@H](C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000129550771 173375193 /nfs/dbraw/zinc/37/51/93/173375193.db2.gz POLFTHGSDUHKFN-QMMMGPOBSA-N 2 2 247.264 2.368 20 0 BEADLP C[NH2+]C[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000129566365 173375364 /nfs/dbraw/zinc/37/53/64/173375364.db2.gz LWZVPUKSCYWALU-JTQLQIEISA-N 2 2 236.363 2.176 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000039781798 173379610 /nfs/dbraw/zinc/37/96/10/173379610.db2.gz GOLZUWPERHAEJG-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000039781798 173379612 /nfs/dbraw/zinc/37/96/12/173379612.db2.gz GOLZUWPERHAEJG-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000039781771 173379944 /nfs/dbraw/zinc/37/99/44/173379944.db2.gz JYQDHDGLUNZDFP-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000039781771 173379945 /nfs/dbraw/zinc/37/99/45/173379945.db2.gz JYQDHDGLUNZDFP-CYBMUJFWSA-N 2 2 210.365 2.251 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C ZINC000133051760 173380141 /nfs/dbraw/zinc/38/01/41/173380141.db2.gz JAARHGWCGVTIND-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C)cc1C ZINC000133051760 173380142 /nfs/dbraw/zinc/38/01/42/173380142.db2.gz JAARHGWCGVTIND-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499087 173380595 /nfs/dbraw/zinc/38/05/95/173380595.db2.gz RBHMWYKESMNWSH-MRXNPFEDSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000070499087 173380596 /nfs/dbraw/zinc/38/05/96/173380596.db2.gz RBHMWYKESMNWSH-MRXNPFEDSA-N 2 2 244.382 2.359 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000039781776 173381096 /nfs/dbraw/zinc/38/10/96/173381096.db2.gz CGFHBYHVJSKREG-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC000039781776 173381097 /nfs/dbraw/zinc/38/10/97/173381097.db2.gz CGFHBYHVJSKREG-CQSZACIVSA-N 2 2 218.344 2.179 20 0 BEADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000062036996 174215300 /nfs/dbraw/zinc/21/53/00/174215300.db2.gz OUGUCLKOOBFALA-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000062036996 174215302 /nfs/dbraw/zinc/21/53/02/174215302.db2.gz OUGUCLKOOBFALA-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[N@H+](C)CC[NH2+]CC1CCCCC1 ZINC000062036979 174216635 /nfs/dbraw/zinc/21/66/35/174216635.db2.gz KAYVRYMJVUMPJD-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP COCCC[N@@H+](C)CC[NH2+]CC1CCCCC1 ZINC000062036979 174216638 /nfs/dbraw/zinc/21/66/38/174216638.db2.gz KAYVRYMJVUMPJD-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP COC[C@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000289355892 174533347 /nfs/dbraw/zinc/53/33/47/174533347.db2.gz YCMICFMXSRWBAV-GFCCVEGCSA-N 2 2 236.359 2.195 20 0 BEADLP COc1ccc(C)cc1C[NH2+]CCC[NH+](C)C ZINC000035161784 175076058 /nfs/dbraw/zinc/07/60/58/175076058.db2.gz FVZAMRSWUNBRIU-UHFFFAOYSA-N 2 2 236.359 2.045 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000234840836 175081362 /nfs/dbraw/zinc/08/13/62/175081362.db2.gz PMPXIFRQCICBAW-QWHCGFSZSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358407191 175189756 /nfs/dbraw/zinc/18/97/56/175189756.db2.gz REDRYPZOKKQSAQ-SLEUVZQESA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358407191 175189757 /nfs/dbraw/zinc/18/97/57/175189757.db2.gz REDRYPZOKKQSAQ-SLEUVZQESA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358407201 175190250 /nfs/dbraw/zinc/19/02/50/175190250.db2.gz REDRYPZOKKQSAQ-XUJVJEKNSA-N 2 2 248.370 2.296 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358407201 175190251 /nfs/dbraw/zinc/19/02/51/175190251.db2.gz REDRYPZOKKQSAQ-XUJVJEKNSA-N 2 2 248.370 2.296 20 0 BEADLP COc1cccc(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000268096956 175255930 /nfs/dbraw/zinc/25/59/30/175255930.db2.gz MNECJJRPKLIXDT-UHFFFAOYSA-N 2 2 245.326 2.024 20 0 BEADLP COc1cccc(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000268096956 175255932 /nfs/dbraw/zinc/25/59/32/175255932.db2.gz MNECJJRPKLIXDT-UHFFFAOYSA-N 2 2 245.326 2.024 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119148 175286885 /nfs/dbraw/zinc/28/68/85/175286885.db2.gz DALCZWYARZWKST-GFCCVEGCSA-N 2 2 245.326 2.243 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042544296 175287874 /nfs/dbraw/zinc/28/78/74/175287874.db2.gz WTEMZKXLENHNSN-YPMHNXCESA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042544296 175287876 /nfs/dbraw/zinc/28/78/76/175287876.db2.gz WTEMZKXLENHNSN-YPMHNXCESA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042544294 175293116 /nfs/dbraw/zinc/29/31/16/175293116.db2.gz WTEMZKXLENHNSN-AAEUAGOBSA-N 2 2 234.343 2.050 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042544294 175293117 /nfs/dbraw/zinc/29/31/17/175293117.db2.gz WTEMZKXLENHNSN-AAEUAGOBSA-N 2 2 234.343 2.050 20 0 BEADLP COc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063191541 175325577 /nfs/dbraw/zinc/32/55/77/175325577.db2.gz OCEVZNQNEMPCQB-TZMCWYRMSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063191541 175325579 /nfs/dbraw/zinc/32/55/79/175325579.db2.gz OCEVZNQNEMPCQB-TZMCWYRMSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324497 175351617 /nfs/dbraw/zinc/35/16/17/175351617.db2.gz WWVSZGSXTMMFSZ-NWDGAFQWSA-N 2 2 234.343 2.098 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC12CCCC2 ZINC000336735817 175701064 /nfs/dbraw/zinc/70/10/64/175701064.db2.gz ONRICXNYQFMBEL-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000556938332 322931682 /nfs/dbraw/zinc/93/16/82/322931682.db2.gz ZHVBBOSJNKVQHS-SECBINFHSA-N 2 2 239.388 2.108 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nccs1 ZINC000083142992 175784456 /nfs/dbraw/zinc/78/44/56/175784456.db2.gz QYRHBNAFINZGKZ-UWVGGRQHSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027819 176015987 /nfs/dbraw/zinc/01/59/87/176015987.db2.gz QXVRYYIYZWXXMF-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027819 176015988 /nfs/dbraw/zinc/01/59/88/176015988.db2.gz QXVRYYIYZWXXMF-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027902 176018304 /nfs/dbraw/zinc/01/83/04/176018304.db2.gz ZMDZCWJWCILZHW-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027902 176018306 /nfs/dbraw/zinc/01/83/06/176018306.db2.gz ZMDZCWJWCILZHW-GWCFXTLKSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333832 176024799 /nfs/dbraw/zinc/02/47/99/176024799.db2.gz INCURZNHJDLIOO-NRUUGDAUSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333832 176024801 /nfs/dbraw/zinc/02/48/01/176024801.db2.gz INCURZNHJDLIOO-NRUUGDAUSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1cccs1)[N@H+](C)CC(C)(C)[NH3+] ZINC000049717082 176032742 /nfs/dbraw/zinc/03/27/42/176032742.db2.gz JZGNRNLMUPEWQE-VIFPVBQESA-N 2 2 212.362 2.478 20 0 BEADLP C[C@@H](c1cccs1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000049717082 176032744 /nfs/dbraw/zinc/03/27/44/176032744.db2.gz JZGNRNLMUPEWQE-VIFPVBQESA-N 2 2 212.362 2.478 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000041041877 176080745 /nfs/dbraw/zinc/08/07/45/176080745.db2.gz XYIWJSKTGULVMO-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000309811555 176097347 /nfs/dbraw/zinc/09/73/47/176097347.db2.gz UITJCIDXLVSEFJ-CHWSQXEVSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000309811555 176097349 /nfs/dbraw/zinc/09/73/49/176097349.db2.gz UITJCIDXLVSEFJ-CHWSQXEVSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053343764 176098239 /nfs/dbraw/zinc/09/82/39/176098239.db2.gz OVVHDPFLAOUZMI-GFCCVEGCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C(C2CC2)C2CC2)C1 ZINC000053343764 176098240 /nfs/dbraw/zinc/09/82/40/176098240.db2.gz OVVHDPFLAOUZMI-GFCCVEGCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182621725 176098345 /nfs/dbraw/zinc/09/83/45/176098345.db2.gz XBVSIQSGFPJETH-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182621725 176098346 /nfs/dbraw/zinc/09/83/46/176098346.db2.gz XBVSIQSGFPJETH-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000020125701 176123669 /nfs/dbraw/zinc/12/36/69/176123669.db2.gz FWGYAPDMJVVEQX-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000041041884 176123427 /nfs/dbraw/zinc/12/34/27/176123427.db2.gz XRVOIRHCDDYNRS-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353241197 176124250 /nfs/dbraw/zinc/12/42/50/176124250.db2.gz LHTIRYWHWREZMT-IJLUTSLNSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353241197 176124251 /nfs/dbraw/zinc/12/42/51/176124251.db2.gz LHTIRYWHWREZMT-IJLUTSLNSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831597 176139041 /nfs/dbraw/zinc/13/90/41/176139041.db2.gz YSLVXMTWRFQXEK-YIYPIFLZSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000309831597 176139043 /nfs/dbraw/zinc/13/90/43/176139043.db2.gz YSLVXMTWRFQXEK-YIYPIFLZSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000336321406 176203967 /nfs/dbraw/zinc/20/39/67/176203967.db2.gz RKWDMKKLZGYIRH-YPMHNXCESA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227196813 176214454 /nfs/dbraw/zinc/21/44/54/176214454.db2.gz NPCJQAYQUWYYRM-IJLUTSLNSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642981 176232951 /nfs/dbraw/zinc/23/29/51/176232951.db2.gz NDSLXCYGMGACPF-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375022 176271806 /nfs/dbraw/zinc/27/18/06/176271806.db2.gz CMZAEQWNEMALIF-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000309375022 176271809 /nfs/dbraw/zinc/27/18/09/176271809.db2.gz CMZAEQWNEMALIF-YPMHNXCESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCCCC1 ZINC000309145419 176272541 /nfs/dbraw/zinc/27/25/41/176272541.db2.gz VBGDIMFFSUUPSX-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCCCC1 ZINC000309145419 176272543 /nfs/dbraw/zinc/27/25/43/176272543.db2.gz VBGDIMFFSUUPSX-YPMHNXCESA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000358003014 176273957 /nfs/dbraw/zinc/27/39/57/176273957.db2.gz IFQGRSBOCQIAND-DFBGVHRSSA-N 2 2 230.355 2.214 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000358003014 176273959 /nfs/dbraw/zinc/27/39/59/176273959.db2.gz IFQGRSBOCQIAND-DFBGVHRSSA-N 2 2 230.355 2.214 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000336781268 176274003 /nfs/dbraw/zinc/27/40/03/176274003.db2.gz UFBAECKASCZXJG-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000336781268 176274005 /nfs/dbraw/zinc/27/40/05/176274005.db2.gz UFBAECKASCZXJG-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000358188138 176274117 /nfs/dbraw/zinc/27/41/17/176274117.db2.gz LBDLKTKUTCFSIN-MIGQKNRLSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000358188138 176274118 /nfs/dbraw/zinc/27/41/18/176274118.db2.gz LBDLKTKUTCFSIN-MIGQKNRLSA-N 2 2 244.382 2.157 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000358024891 176274212 /nfs/dbraw/zinc/27/42/12/176274212.db2.gz NLALEWUDLPXHMH-WQVCFCJDSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000358024891 176274214 /nfs/dbraw/zinc/27/42/14/176274214.db2.gz NLALEWUDLPXHMH-WQVCFCJDSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000309734494 176275028 /nfs/dbraw/zinc/27/50/28/176275028.db2.gz CADFKNPRMWACQY-JKZOPUQSSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000309734494 176275029 /nfs/dbraw/zinc/27/50/29/176275029.db2.gz CADFKNPRMWACQY-JKZOPUQSSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000309140261 176277411 /nfs/dbraw/zinc/27/74/11/176277411.db2.gz SXDBBGGPTNHVMF-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000309140261 176277412 /nfs/dbraw/zinc/27/74/12/176277412.db2.gz SXDBBGGPTNHVMF-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000360046218 176277779 /nfs/dbraw/zinc/27/77/79/176277779.db2.gz PGCKXPDPXQYOLT-RAIGVLPGSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000360046218 176277780 /nfs/dbraw/zinc/27/77/80/176277780.db2.gz PGCKXPDPXQYOLT-RAIGVLPGSA-N 2 2 234.343 2.197 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000358231332 176278598 /nfs/dbraw/zinc/27/85/98/176278598.db2.gz YVFBDDHZJQUKCO-WKPIXPDZSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000358231332 176278599 /nfs/dbraw/zinc/27/85/99/176278599.db2.gz YVFBDDHZJQUKCO-WKPIXPDZSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000251931377 176301248 /nfs/dbraw/zinc/30/12/48/176301248.db2.gz YTYLDMBKUSFQDN-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000251931377 176301249 /nfs/dbraw/zinc/30/12/49/176301249.db2.gz YTYLDMBKUSFQDN-NOZJJQNGSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(F)cc1F ZINC000131677494 176367578 /nfs/dbraw/zinc/36/75/78/176367578.db2.gz OWRKWVDSZBYOPJ-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(F)cc1F ZINC000131677494 176367580 /nfs/dbraw/zinc/36/75/80/176367580.db2.gz OWRKWVDSZBYOPJ-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000121459463 176375043 /nfs/dbraw/zinc/37/50/43/176375043.db2.gz AMOGTZHIRKVJLM-DGCLKSJQSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000121459463 176375046 /nfs/dbraw/zinc/37/50/46/176375046.db2.gz AMOGTZHIRKVJLM-DGCLKSJQSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000336775819 176395508 /nfs/dbraw/zinc/39/55/08/176395508.db2.gz CTTIEIVCLNQWJD-VXGBXAGGSA-N 2 2 219.332 2.129 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000309095396 176396777 /nfs/dbraw/zinc/39/67/77/176396777.db2.gz CQJPNBASXBDLAS-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000309095396 176396779 /nfs/dbraw/zinc/39/67/79/176396779.db2.gz CQJPNBASXBDLAS-JHJVBQTASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCOC1(C)C ZINC000340186413 177075456 /nfs/dbraw/zinc/07/54/56/177075456.db2.gz XMYIIPLJETYOFH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCOC1(C)C ZINC000340186413 177075457 /nfs/dbraw/zinc/07/54/57/177075457.db2.gz XMYIIPLJETYOFH-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765245 177079882 /nfs/dbraw/zinc/07/98/82/177079882.db2.gz AOMQMTOXCPSLKF-WDEREUQCSA-N 2 2 207.321 2.326 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000041041880 177088754 /nfs/dbraw/zinc/08/87/54/177088754.db2.gz XYIWJSKTGULVMO-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182621745 177097521 /nfs/dbraw/zinc/09/75/21/177097521.db2.gz XBVSIQSGFPJETH-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182621745 177097522 /nfs/dbraw/zinc/09/75/22/177097522.db2.gz XBVSIQSGFPJETH-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2ccccc2F)[C@@H]1C[NH3+] ZINC000070175280 177100912 /nfs/dbraw/zinc/10/09/12/177100912.db2.gz CPEWSBVEPSQLDK-SMDDNHRTSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2ccccc2F)[C@@H]1C[NH3+] ZINC000070175280 177100914 /nfs/dbraw/zinc/10/09/14/177100914.db2.gz CPEWSBVEPSQLDK-SMDDNHRTSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053342174 177159809 /nfs/dbraw/zinc/15/98/09/177159809.db2.gz WQIOSGCTMZXYFG-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053342174 177159808 /nfs/dbraw/zinc/15/98/08/177159808.db2.gz WQIOSGCTMZXYFG-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267340609 177164255 /nfs/dbraw/zinc/16/42/55/177164255.db2.gz CHPGNFHSQNKQMU-LBPRGKRZSA-N 2 2 242.326 2.109 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267340609 177164256 /nfs/dbraw/zinc/16/42/56/177164256.db2.gz CHPGNFHSQNKQMU-LBPRGKRZSA-N 2 2 242.326 2.109 20 0 BEADLP C[C@H]1CC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000336321405 177202329 /nfs/dbraw/zinc/20/23/29/177202329.db2.gz RKWDMKKLZGYIRH-WCQYABFASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794674 177235905 /nfs/dbraw/zinc/23/59/05/177235905.db2.gz PVLXVELZFZAWNC-QWRGUYRKSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000309794674 177235907 /nfs/dbraw/zinc/23/59/07/177235907.db2.gz PVLXVELZFZAWNC-QWRGUYRKSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000309444027 177236328 /nfs/dbraw/zinc/23/63/28/177236328.db2.gz KTXPYOBYERKENC-JSGCOSHPSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000309444027 177236330 /nfs/dbraw/zinc/23/63/30/177236330.db2.gz KTXPYOBYERKENC-JSGCOSHPSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CCCC1 ZINC000309101737 177237710 /nfs/dbraw/zinc/23/77/10/177237710.db2.gz GBMFSRYBJLVCDI-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CCCC1 ZINC000309101737 177237712 /nfs/dbraw/zinc/23/77/12/177237712.db2.gz GBMFSRYBJLVCDI-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336757235 177238665 /nfs/dbraw/zinc/23/86/65/177238665.db2.gz JXWBVYOOCDMXKP-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336757235 177238666 /nfs/dbraw/zinc/23/86/66/177238666.db2.gz JXWBVYOOCDMXKP-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352812078 177242852 /nfs/dbraw/zinc/24/28/52/177242852.db2.gz YMXVKNIWTUOQPB-ZOWXZIJZSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352812078 177242853 /nfs/dbraw/zinc/24/28/53/177242853.db2.gz YMXVKNIWTUOQPB-ZOWXZIJZSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H]1C[N@H+](Cc2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000104257060 177261012 /nfs/dbraw/zinc/26/10/12/177261012.db2.gz MXMCLHOLXLORKD-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)CC[C@@H]1[NH3+] ZINC000104257060 177261013 /nfs/dbraw/zinc/26/10/13/177261013.db2.gz MXMCLHOLXLORKD-ZANVPECISA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]1C[NH+](Cc2cccc3[nH+]ccn32)C[C@@H]1C ZINC000271774603 177265447 /nfs/dbraw/zinc/26/54/47/177265447.db2.gz GTLZBJAWUCQIBS-RYUDHWBXSA-N 2 2 229.327 2.422 20 0 BEADLP C[C@H]1[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000309824038 177334385 /nfs/dbraw/zinc/33/43/85/177334385.db2.gz WYYZSNFUFPDQBM-LZFBMIIGSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]1[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000309824038 177334386 /nfs/dbraw/zinc/33/43/86/177334386.db2.gz WYYZSNFUFPDQBM-LZFBMIIGSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@@H+]1C1CC1 ZINC000336677013 177368911 /nfs/dbraw/zinc/36/89/11/177368911.db2.gz BIFGGOBXRGDYPU-RYUDHWBXSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2(C)CC2)C[N@H+]1C1CC1 ZINC000336677013 177368913 /nfs/dbraw/zinc/36/89/13/177368913.db2.gz BIFGGOBXRGDYPU-RYUDHWBXSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CC[N@@H+]1C ZINC000090720410 177370426 /nfs/dbraw/zinc/37/04/26/177370426.db2.gz PZVMHVARVSJNIC-CMPLNLGQSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CC[N@H+]1C ZINC000090720410 177370428 /nfs/dbraw/zinc/37/04/28/177370428.db2.gz PZVMHVARVSJNIC-CMPLNLGQSA-N 2 2 224.373 2.320 20 0 BEADLP C[C@@H]1Cc2c([nH+]cn2Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000295142888 177391676 /nfs/dbraw/zinc/39/16/76/177391676.db2.gz LEZUIYQXUJIAGS-VHSXEESVSA-N 2 2 230.315 2.025 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000328281326 487642187 /nfs/dbraw/zinc/64/21/87/487642187.db2.gz RZPLEJYUMPDWMF-ZDUSSCGKSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000328281326 487642192 /nfs/dbraw/zinc/64/21/92/487642192.db2.gz RZPLEJYUMPDWMF-ZDUSSCGKSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000400405036 225168724 /nfs/dbraw/zinc/16/87/24/225168724.db2.gz RAAYXRJCDJKHMO-SGMGOOAPSA-N 2 2 218.344 2.478 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000494357275 226264106 /nfs/dbraw/zinc/26/41/06/226264106.db2.gz OSWYSRGIZOCVOB-ZDUSSCGKSA-N 2 2 244.423 2.225 20 0 BEADLP COCc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400520000 226345755 /nfs/dbraw/zinc/34/57/55/226345755.db2.gz OAZUZLCXDDPNBQ-IUODEOHRSA-N 2 2 248.370 2.063 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400698308 226349714 /nfs/dbraw/zinc/34/97/14/226349714.db2.gz BJDCPAXWYXNAND-YRGRVCCFSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912611 487653678 /nfs/dbraw/zinc/65/36/78/487653678.db2.gz JQELBKSYRJLUQO-NHYWBVRUSA-N 2 2 243.354 2.208 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000674912611 487653683 /nfs/dbraw/zinc/65/36/83/487653683.db2.gz JQELBKSYRJLUQO-NHYWBVRUSA-N 2 2 243.354 2.208 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1 ZINC000328309835 487654648 /nfs/dbraw/zinc/65/46/48/487654648.db2.gz BICWNGZKIMJOSU-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1 ZINC000328309835 487654650 /nfs/dbraw/zinc/65/46/50/487654650.db2.gz BICWNGZKIMJOSU-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cc(NCC[C@@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000665738343 487660862 /nfs/dbraw/zinc/66/08/62/487660862.db2.gz SKDCGNJNKPYGQZ-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000665738343 487660866 /nfs/dbraw/zinc/66/08/66/487660866.db2.gz SKDCGNJNKPYGQZ-LBPRGKRZSA-N 2 2 248.374 2.183 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000328367551 487670952 /nfs/dbraw/zinc/67/09/52/487670952.db2.gz RHSSYAQCFLVBJV-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000328367551 487670956 /nfs/dbraw/zinc/67/09/56/487670956.db2.gz RHSSYAQCFLVBJV-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000328367549 487671310 /nfs/dbraw/zinc/67/13/10/487671310.db2.gz RHSSYAQCFLVBJV-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000328367549 487671315 /nfs/dbraw/zinc/67/13/15/487671315.db2.gz RHSSYAQCFLVBJV-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424192114 229159369 /nfs/dbraw/zinc/15/93/69/229159369.db2.gz INDOGOOBXBHLLE-MMMKDXCPSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424192114 229159372 /nfs/dbraw/zinc/15/93/72/229159372.db2.gz INDOGOOBXBHLLE-MMMKDXCPSA-N 2 2 234.387 2.390 20 0 BEADLP FC(F)(F)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000176885690 487687702 /nfs/dbraw/zinc/68/77/02/487687702.db2.gz NWXLTCPQGJUHMQ-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP FC(F)(F)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000176885690 487687705 /nfs/dbraw/zinc/68/77/05/487687705.db2.gz NWXLTCPQGJUHMQ-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP Cc1cncc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000228619285 487695203 /nfs/dbraw/zinc/69/52/03/487695203.db2.gz MWQOJMWIOVRHIR-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000228619285 487695204 /nfs/dbraw/zinc/69/52/04/487695204.db2.gz MWQOJMWIOVRHIR-TZMCWYRMSA-N 2 2 233.359 2.092 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000398004298 262941702 /nfs/dbraw/zinc/94/17/02/262941702.db2.gz UWSSEJSANBJHQH-AWEZNQCLSA-N 2 2 230.355 2.358 20 0 BEADLP CCOc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000233789643 487744232 /nfs/dbraw/zinc/74/42/32/487744232.db2.gz ZFDPGQSJQBTEFA-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668432664 487746552 /nfs/dbraw/zinc/74/65/52/487746552.db2.gz WGBCBVKMSHYJPF-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668432664 487746556 /nfs/dbraw/zinc/74/65/56/487746556.db2.gz WGBCBVKMSHYJPF-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP Cn1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234604 487764913 /nfs/dbraw/zinc/76/49/13/487764913.db2.gz HAXJREFBDUDJAU-AWEZNQCLSA-N 2 2 244.342 2.059 20 0 BEADLP Cn1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234604 487764921 /nfs/dbraw/zinc/76/49/21/487764921.db2.gz HAXJREFBDUDJAU-AWEZNQCLSA-N 2 2 244.342 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000675767329 487775463 /nfs/dbraw/zinc/77/54/63/487775463.db2.gz SLBQLBLZVLWZBP-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000675767329 487775465 /nfs/dbraw/zinc/77/54/65/487775465.db2.gz SLBQLBLZVLWZBP-ZFWWWQNUSA-N 2 2 248.345 2.497 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000414961382 487778279 /nfs/dbraw/zinc/77/82/79/487778279.db2.gz VRTYOULSWXLUPN-VIUFGFMOSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459031 487783554 /nfs/dbraw/zinc/78/35/54/487783554.db2.gz OQLUQNNYOXOZTA-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459031 487783558 /nfs/dbraw/zinc/78/35/58/487783558.db2.gz OQLUQNNYOXOZTA-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000251777599 487797092 /nfs/dbraw/zinc/79/70/92/487797092.db2.gz WNOWVPDFPWMYCU-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC)CCO1 ZINC000251777599 487797096 /nfs/dbraw/zinc/79/70/96/487797096.db2.gz WNOWVPDFPWMYCU-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302118 487800066 /nfs/dbraw/zinc/80/00/66/487800066.db2.gz JTLLOVHRLMNNMX-KGLIPLIRSA-N 2 2 249.358 2.007 20 0 BEADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302118 487800072 /nfs/dbraw/zinc/80/00/72/487800072.db2.gz JTLLOVHRLMNNMX-KGLIPLIRSA-N 2 2 249.358 2.007 20 0 BEADLP CC[C@H]1C[N@H+](Cc2csc(C)n2)CC[C@H]1[NH3+] ZINC000251836948 487801449 /nfs/dbraw/zinc/80/14/49/487801449.db2.gz QKTNJGIJGQFKQF-CMPLNLGQSA-N 2 2 239.388 2.011 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2csc(C)n2)CC[C@H]1[NH3+] ZINC000251836948 487801453 /nfs/dbraw/zinc/80/14/53/487801453.db2.gz QKTNJGIJGQFKQF-CMPLNLGQSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1cccc(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000313288777 487811897 /nfs/dbraw/zinc/81/18/97/487811897.db2.gz ZNWSGAVSGJKOST-UHFFFAOYSA-N 2 2 229.327 2.061 20 0 BEADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000651751808 487825075 /nfs/dbraw/zinc/82/50/75/487825075.db2.gz ILRSXZCOBYFGNX-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP [NH3+]CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000415093988 487837349 /nfs/dbraw/zinc/83/73/49/487837349.db2.gz DBQSFRKIKFWTMN-ZDUSSCGKSA-N 2 2 244.342 2.049 20 0 BEADLP [NH3+]CCC[N@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000415093988 487837355 /nfs/dbraw/zinc/83/73/55/487837355.db2.gz DBQSFRKIKFWTMN-ZDUSSCGKSA-N 2 2 244.342 2.049 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC(C)=C[C@H](C)C2)n1C ZINC000668098898 487837978 /nfs/dbraw/zinc/83/79/78/487837978.db2.gz UWEZAURBVGUQDR-JTQLQIEISA-N 2 2 219.332 2.127 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC(C)=C[C@H](C)C2)n1C ZINC000668098898 487837983 /nfs/dbraw/zinc/83/79/83/487837983.db2.gz UWEZAURBVGUQDR-JTQLQIEISA-N 2 2 219.332 2.127 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000681743420 487851655 /nfs/dbraw/zinc/85/16/55/487851655.db2.gz LRJQAMSYXKYAFE-AAEUAGOBSA-N 2 2 233.359 2.366 20 0 BEADLP c1ccc2c(c1)ccnc2C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000666814079 487867451 /nfs/dbraw/zinc/86/74/51/487867451.db2.gz FNXDIPZLMLPRJH-CYBMUJFWSA-N 2 2 241.338 2.076 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666741138 487869811 /nfs/dbraw/zinc/86/98/11/487869811.db2.gz VVQSUWLPXUCDAF-CQSZACIVSA-N 2 2 243.354 2.308 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cscc1Cl)C1CC1 ZINC000666746367 487870788 /nfs/dbraw/zinc/87/07/88/487870788.db2.gz ZLPZOGNWOARWLR-SNVBAGLBSA-N 2 2 230.764 2.228 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cscc2Cl)CCC1 ZINC000666828779 487879809 /nfs/dbraw/zinc/87/98/09/487879809.db2.gz SICJPNWJFNDVQN-UHFFFAOYSA-N 2 2 230.764 2.373 20 0 BEADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cscc1Cl ZINC000666879628 487895429 /nfs/dbraw/zinc/89/54/29/487895429.db2.gz LFKZRNAMTOFAIT-GZMMTYOYSA-N 2 2 244.791 2.489 20 0 BEADLP COc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])[nH+]c1 ZINC000234985609 487899290 /nfs/dbraw/zinc/89/92/90/487899290.db2.gz QSUOHFKZASTEHC-CMPLNLGQSA-N 2 2 235.331 2.020 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cscc1Cl ZINC000666910452 487901659 /nfs/dbraw/zinc/90/16/59/487901659.db2.gz OXXDDRACFKFPBV-QMMMGPOBSA-N 2 2 218.753 2.228 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)CC1)[NH+](C)C ZINC000083427770 487907374 /nfs/dbraw/zinc/90/73/74/487907374.db2.gz OOEPYYYEHULEDG-JHJVBQTASA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666943468 487907608 /nfs/dbraw/zinc/90/76/08/487907608.db2.gz KGQCVXVASSHUTD-KBPBESRZSA-N 2 2 236.334 2.093 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C)C1 ZINC000666946512 487908888 /nfs/dbraw/zinc/90/88/88/487908888.db2.gz GKMLRBTYERIFGB-NAWOPXAZSA-N 2 2 228.355 2.101 20 0 BEADLP CCCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946411 487910140 /nfs/dbraw/zinc/91/01/40/487910140.db2.gz AOHXXWSRUDJRHY-SRVKXCTJSA-N 2 2 216.344 2.245 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000666945153 487910370 /nfs/dbraw/zinc/91/03/70/487910370.db2.gz AFKLEJRUUFZSIU-RYUDHWBXSA-N 2 2 248.301 2.222 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H](C)C1 ZINC000666946464 487910378 /nfs/dbraw/zinc/91/03/78/487910378.db2.gz DGWYCABEEMPUDC-OFTGVCEQSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000235223922 487936577 /nfs/dbraw/zinc/93/65/77/487936577.db2.gz ZCARBAIOTNPISB-YPMHNXCESA-N 2 2 234.343 2.185 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000566500775 323003762 /nfs/dbraw/zinc/00/37/62/323003762.db2.gz QUUNUABATQKPNC-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000566500775 323003763 /nfs/dbraw/zinc/00/37/63/323003763.db2.gz QUUNUABATQKPNC-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000151155143 323011579 /nfs/dbraw/zinc/01/15/79/323011579.db2.gz WQNFIIFSRNYWKF-CYBMUJFWSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000562517647 323022591 /nfs/dbraw/zinc/02/25/91/323022591.db2.gz JYJIOHQXZGCHST-WUHRBBMRSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000562517647 323022592 /nfs/dbraw/zinc/02/25/92/323022592.db2.gz JYJIOHQXZGCHST-WUHRBBMRSA-N 2 2 240.391 2.015 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000562779018 323030511 /nfs/dbraw/zinc/03/05/11/323030511.db2.gz UMUVTTJHUNFYPN-HIFRSBDPSA-N 2 2 247.386 2.464 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccncc1 ZINC000562779018 323030512 /nfs/dbraw/zinc/03/05/12/323030512.db2.gz UMUVTTJHUNFYPN-HIFRSBDPSA-N 2 2 247.386 2.464 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000562955708 323034847 /nfs/dbraw/zinc/03/48/47/323034847.db2.gz IYZAOBBQEJQYGI-STQMWFEESA-N 2 2 248.370 2.406 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000562956456 323035155 /nfs/dbraw/zinc/03/51/55/323035155.db2.gz WGHZMXIISRFTFF-QMMMGPOBSA-N 2 2 230.714 2.349 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000562962700 323036667 /nfs/dbraw/zinc/03/66/67/323036667.db2.gz OETNOJDGBXTCJB-SFYZADRCSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@@H](C[NH+](C)C)Nc1[nH+]ccc2cc(F)ccc21 ZINC000570628631 323064877 /nfs/dbraw/zinc/06/48/77/323064877.db2.gz ZTRXECVWZKVRFB-JTQLQIEISA-N 2 2 247.317 2.158 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCCC12CCC2 ZINC000394767638 323108341 /nfs/dbraw/zinc/10/83/41/323108341.db2.gz RFKZLRXGNDPRKY-CYBMUJFWSA-N 2 2 222.376 2.395 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)o1 ZINC000531685877 323111003 /nfs/dbraw/zinc/11/10/03/323111003.db2.gz OIMZVNFJPLCUNY-NHYWBVRUSA-N 2 2 248.370 2.203 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)o1 ZINC000531685877 323111004 /nfs/dbraw/zinc/11/10/04/323111004.db2.gz OIMZVNFJPLCUNY-NHYWBVRUSA-N 2 2 248.370 2.203 20 0 BEADLP COC(C)(C)C[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563439666 323125712 /nfs/dbraw/zinc/12/57/12/323125712.db2.gz HHHDTKCZDPHKAL-JTQLQIEISA-N 2 2 239.363 2.022 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000563545768 323129572 /nfs/dbraw/zinc/12/95/72/323129572.db2.gz PXJAFMQLBMEVEG-BETUJISGSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000563545768 323129573 /nfs/dbraw/zinc/12/95/73/323129573.db2.gz PXJAFMQLBMEVEG-BETUJISGSA-N 2 2 233.359 2.085 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)CC)[C@H]1CC1(C)C ZINC000397658469 323152677 /nfs/dbraw/zinc/15/26/77/323152677.db2.gz CEGSBHZNXBJRIE-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)CC)[C@H]1CC1(C)C ZINC000397658469 323152678 /nfs/dbraw/zinc/15/26/78/323152678.db2.gz CEGSBHZNXBJRIE-VXGBXAGGSA-N 2 2 212.381 2.352 20 0 BEADLP CCCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000541892865 323161993 /nfs/dbraw/zinc/16/19/93/323161993.db2.gz ODQDUIWEYJDMIC-GFCCVEGCSA-N 2 2 221.348 2.400 20 0 BEADLP CCCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000541892865 323161994 /nfs/dbraw/zinc/16/19/94/323161994.db2.gz ODQDUIWEYJDMIC-GFCCVEGCSA-N 2 2 221.348 2.400 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(O)c1 ZINC000535035017 323164087 /nfs/dbraw/zinc/16/40/87/323164087.db2.gz UGHACOHZEQAVQF-UHFFFAOYSA-N 2 2 245.326 2.029 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1C1CC1 ZINC000308721565 323177374 /nfs/dbraw/zinc/17/73/74/323177374.db2.gz DMMPFPBXGWCSMG-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)C[N@H+]1C1CC1 ZINC000308721565 323177375 /nfs/dbraw/zinc/17/73/75/323177375.db2.gz DMMPFPBXGWCSMG-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000308824573 323179299 /nfs/dbraw/zinc/17/92/99/323179299.db2.gz DGYBHMZVWBAVEN-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000308824573 323179300 /nfs/dbraw/zinc/17/93/00/323179300.db2.gz DGYBHMZVWBAVEN-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533289 323182820 /nfs/dbraw/zinc/18/28/20/323182820.db2.gz LKGZSZJWRRGDNG-UWVGGRQHSA-N 2 2 243.301 2.295 20 0 BEADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(O)c1 ZINC000535763286 323190734 /nfs/dbraw/zinc/19/07/34/323190734.db2.gz SMIHVEMHKNPBFN-CQSZACIVSA-N 2 2 248.370 2.308 20 0 BEADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(O)c1 ZINC000535763286 323190735 /nfs/dbraw/zinc/19/07/35/323190735.db2.gz SMIHVEMHKNPBFN-CQSZACIVSA-N 2 2 248.370 2.308 20 0 BEADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(O)c1 ZINC000535763286 323190736 /nfs/dbraw/zinc/19/07/36/323190736.db2.gz SMIHVEMHKNPBFN-CQSZACIVSA-N 2 2 248.370 2.308 20 0 BEADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(O)c1 ZINC000535763286 323190737 /nfs/dbraw/zinc/19/07/37/323190737.db2.gz SMIHVEMHKNPBFN-CQSZACIVSA-N 2 2 248.370 2.308 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000399127255 323197488 /nfs/dbraw/zinc/19/74/88/323197488.db2.gz RFTZOYMKXXNCDR-RWMBFGLXSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000399127255 323197489 /nfs/dbraw/zinc/19/74/89/323197489.db2.gz RFTZOYMKXXNCDR-RWMBFGLXSA-N 2 2 212.381 2.480 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000070562817 323200231 /nfs/dbraw/zinc/20/02/31/323200231.db2.gz VMFMZGOCYJUGLC-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000070562817 323200232 /nfs/dbraw/zinc/20/02/32/323200232.db2.gz VMFMZGOCYJUGLC-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309218425 323329438 /nfs/dbraw/zinc/32/94/38/323329438.db2.gz UVBPINMDLMXLDC-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309218425 323329442 /nfs/dbraw/zinc/32/94/42/323329442.db2.gz UVBPINMDLMXLDC-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1C[C@@H]1C ZINC000321106101 323376699 /nfs/dbraw/zinc/37/66/99/323376699.db2.gz PURQYAXOLPIXBV-AVGNSLFASA-N 2 2 221.348 2.297 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000571992415 323518469 /nfs/dbraw/zinc/51/84/69/323518469.db2.gz UCYCGRKRIBZVOG-QWHCGFSZSA-N 2 2 248.370 2.406 20 0 BEADLP CCn1cc[nH+]c1CNc1cccc(C[NH2+]C)c1 ZINC000572129314 323545834 /nfs/dbraw/zinc/54/58/34/323545834.db2.gz ZPQSWYBVXKKVII-UHFFFAOYSA-N 2 2 244.342 2.235 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000122073863 324026174 /nfs/dbraw/zinc/02/61/74/324026174.db2.gz KMSCIOWUCRMHPJ-MROQNXINSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000122073863 324026177 /nfs/dbraw/zinc/02/61/77/324026177.db2.gz KMSCIOWUCRMHPJ-MROQNXINSA-N 2 2 222.376 2.390 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528396506 324220376 /nfs/dbraw/zinc/22/03/76/324220376.db2.gz IEPCQZHTWCRWDB-JVOXIWMLSA-N 2 2 230.783 2.403 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528396506 324220379 /nfs/dbraw/zinc/22/03/79/324220379.db2.gz IEPCQZHTWCRWDB-JVOXIWMLSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528396506 324220381 /nfs/dbraw/zinc/22/03/81/324220381.db2.gz IEPCQZHTWCRWDB-JVOXIWMLSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528396506 324220384 /nfs/dbraw/zinc/22/03/84/324220384.db2.gz IEPCQZHTWCRWDB-JVOXIWMLSA-N 2 2 230.783 2.403 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000548791586 324243106 /nfs/dbraw/zinc/24/31/06/324243106.db2.gz ADTITGRQPUQEOD-TUVASFSCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000548791586 324243111 /nfs/dbraw/zinc/24/31/11/324243111.db2.gz ADTITGRQPUQEOD-TUVASFSCSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CC(F)(F)C1 ZINC000529537375 324322128 /nfs/dbraw/zinc/32/21/28/324322128.db2.gz WCGBKSKLJGSHJF-SECBINFHSA-N 2 2 234.334 2.350 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000061984796 324390484 /nfs/dbraw/zinc/39/04/84/324390484.db2.gz RQXHRBHGMZQUAI-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000061984796 324390486 /nfs/dbraw/zinc/39/04/86/324390486.db2.gz RQXHRBHGMZQUAI-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179681 324510800 /nfs/dbraw/zinc/51/08/00/324510800.db2.gz ZWCZXUWMZULFCW-CQSZACIVSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530218462 324535845 /nfs/dbraw/zinc/53/58/45/324535845.db2.gz WEOQTPLJGZMUCV-GXTWGEPZSA-N 2 2 245.370 2.325 20 0 BEADLP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000530222010 324540078 /nfs/dbraw/zinc/54/00/78/324540078.db2.gz QNKXQHXNVVHAJO-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530225179 324545598 /nfs/dbraw/zinc/54/55/98/324545598.db2.gz WWCLKIBHKVCMJE-JSGCOSHPSA-N 2 2 245.370 2.325 20 0 BEADLP C[C@@H]([NH3+])C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000530225936 324546688 /nfs/dbraw/zinc/54/66/88/324546688.db2.gz YPELHSWTIAQNJO-SECBINFHSA-N 2 2 249.383 2.468 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000130267622 325031613 /nfs/dbraw/zinc/03/16/13/325031613.db2.gz IZDPBEOCKZGZAX-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@H+](C)C1CC1 ZINC000130810063 325090993 /nfs/dbraw/zinc/09/09/93/325090993.db2.gz KXNRIKDOHVNTRA-SNVBAGLBSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+]C(C1CC1)C1CC1)[N@@H+](C)C1CC1 ZINC000130810063 325090995 /nfs/dbraw/zinc/09/09/95/325090995.db2.gz KXNRIKDOHVNTRA-SNVBAGLBSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+](C)C1CC1 ZINC000131080282 325113298 /nfs/dbraw/zinc/11/32/98/325113298.db2.gz HMJMYILWWPEDND-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+](C)C1CC1 ZINC000131080282 325113299 /nfs/dbraw/zinc/11/32/99/325113299.db2.gz HMJMYILWWPEDND-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP CC(C)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131374009 325143600 /nfs/dbraw/zinc/14/36/00/325143600.db2.gz FXIUGXSXVKWEKR-ZDUSSCGKSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000131374009 325143603 /nfs/dbraw/zinc/14/36/03/325143603.db2.gz FXIUGXSXVKWEKR-ZDUSSCGKSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131462253 325153401 /nfs/dbraw/zinc/15/34/01/325153401.db2.gz BMOXADKKTIIJHL-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131462253 325153402 /nfs/dbraw/zinc/15/34/02/325153402.db2.gz BMOXADKKTIIJHL-CHWSQXEVSA-N 2 2 221.348 2.394 20 0 BEADLP CCC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131693399 325178001 /nfs/dbraw/zinc/17/80/01/325178001.db2.gz RWOOKLUNWTXFDS-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CCC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131693399 325178003 /nfs/dbraw/zinc/17/80/03/325178003.db2.gz RWOOKLUNWTXFDS-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000132054231 325196940 /nfs/dbraw/zinc/19/69/40/325196940.db2.gz PNHBREUMCSUHOL-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548635102 325470224 /nfs/dbraw/zinc/47/02/24/325470224.db2.gz YLTWDMSDTAZXGG-OCCSQVGLSA-N 2 2 233.359 2.222 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC[C@H]1C1CC1)CCCC2 ZINC000554095586 325706246 /nfs/dbraw/zinc/70/62/46/325706246.db2.gz QVRZDGKOXAYKPE-KBPBESRZSA-N 2 2 245.370 2.498 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@@H]1C1CC1)CCCC2 ZINC000554095595 325706387 /nfs/dbraw/zinc/70/63/87/325706387.db2.gz QVRZDGKOXAYKPE-ZIAGYGMSSA-N 2 2 245.370 2.498 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000554095546 325706661 /nfs/dbraw/zinc/70/66/61/325706661.db2.gz PYXCTYOTAIOFCE-YPMHNXCESA-N 2 2 233.359 2.498 20 0 BEADLP C[C@H]([NH2+][C@@H](C)C(C)(F)F)[C@H]1CCC[NH2+]C1 ZINC000564791806 325809461 /nfs/dbraw/zinc/80/94/61/325809461.db2.gz IYQBXCZOBIAPKB-GUBZILKMSA-N 2 2 220.307 2.008 20 0 BEADLP CCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000566335743 326034404 /nfs/dbraw/zinc/03/44/04/326034404.db2.gz DDTZDCMCOHTVSA-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000566335743 326034405 /nfs/dbraw/zinc/03/44/05/326034405.db2.gz DDTZDCMCOHTVSA-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C(C)(C)C1 ZINC000566413150 326041477 /nfs/dbraw/zinc/04/14/77/326041477.db2.gz BWNGBOZGTXPVHT-GFCCVEGCSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C(C)(C)C1 ZINC000566413150 326041479 /nfs/dbraw/zinc/04/14/79/326041479.db2.gz BWNGBOZGTXPVHT-GFCCVEGCSA-N 2 2 235.375 2.473 20 0 BEADLP Cc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000566475127 326054003 /nfs/dbraw/zinc/05/40/03/326054003.db2.gz KLSRJZYLLBPDSD-UHFFFAOYSA-N 2 2 218.344 2.177 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000154626543 326154105 /nfs/dbraw/zinc/15/41/05/326154105.db2.gz KARBORBHEKEWNK-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000154626543 326154106 /nfs/dbraw/zinc/15/41/06/326154106.db2.gz KARBORBHEKEWNK-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000154636626 326155218 /nfs/dbraw/zinc/15/52/18/326155218.db2.gz UGINAPLLVHVDBI-CHWSQXEVSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000154636626 326155221 /nfs/dbraw/zinc/15/52/21/326155221.db2.gz UGINAPLLVHVDBI-CHWSQXEVSA-N 2 2 210.365 2.105 20 0 BEADLP CC1(C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000309777692 326168138 /nfs/dbraw/zinc/16/81/38/326168138.db2.gz MAYCISLVEXDCRK-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000309777692 326168142 /nfs/dbraw/zinc/16/81/42/326168142.db2.gz MAYCISLVEXDCRK-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+](CCc1c[nH+]cn1C)C(C)C ZINC000567403095 326184052 /nfs/dbraw/zinc/18/40/52/326184052.db2.gz GVPXXTLMJUQNJY-UHFFFAOYSA-N 2 2 209.337 2.083 20 0 BEADLP CCC[N@@H+](CCc1c[nH+]cn1C)C(C)C ZINC000567403095 326184053 /nfs/dbraw/zinc/18/40/53/326184053.db2.gz GVPXXTLMJUQNJY-UHFFFAOYSA-N 2 2 209.337 2.083 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000568653447 326371434 /nfs/dbraw/zinc/37/14/34/326371434.db2.gz DDMPSYHKJZJFHC-KWCYVHTRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000568653447 326371435 /nfs/dbraw/zinc/37/14/35/326371435.db2.gz DDMPSYHKJZJFHC-KWCYVHTRSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000568769276 326376671 /nfs/dbraw/zinc/37/66/71/326376671.db2.gz DXXSELNGPMJMHV-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000568769276 326376673 /nfs/dbraw/zinc/37/66/73/326376673.db2.gz DXXSELNGPMJMHV-CHWSQXEVSA-N 2 2 222.376 2.251 20 0 BEADLP CC[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1C ZINC000677152181 487984673 /nfs/dbraw/zinc/98/46/73/487984673.db2.gz JSOVTNQHMZVILT-JTQLQIEISA-N 2 2 239.750 2.265 20 0 BEADLP CC[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1C ZINC000677152181 487984677 /nfs/dbraw/zinc/98/46/77/487984677.db2.gz JSOVTNQHMZVILT-JTQLQIEISA-N 2 2 239.750 2.265 20 0 BEADLP CC[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000682075007 487989385 /nfs/dbraw/zinc/98/93/85/487989385.db2.gz XBVLFBBFVZXOCG-SNVBAGLBSA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667471515 488017790 /nfs/dbraw/zinc/01/77/90/488017790.db2.gz APAJBBLBZBQYJR-LBPRGKRZSA-N 2 2 221.348 2.493 20 0 BEADLP CC[C@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667471515 488017793 /nfs/dbraw/zinc/01/77/93/488017793.db2.gz APAJBBLBZBQYJR-LBPRGKRZSA-N 2 2 221.348 2.493 20 0 BEADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)O1 ZINC000682758500 488029589 /nfs/dbraw/zinc/02/95/89/488029589.db2.gz DDXMDOMMNQQWQT-MGPQQGTHSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)O1 ZINC000682758500 488029595 /nfs/dbraw/zinc/02/95/95/488029595.db2.gz DDXMDOMMNQQWQT-MGPQQGTHSA-N 2 2 249.358 2.088 20 0 BEADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000667500697 488030614 /nfs/dbraw/zinc/03/06/14/488030614.db2.gz YLDXKBRLUGJDQO-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000667500697 488030618 /nfs/dbraw/zinc/03/06/18/488030618.db2.gz YLDXKBRLUGJDQO-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP CC[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667544389 488041165 /nfs/dbraw/zinc/04/11/65/488041165.db2.gz FTSZUUMRMPONQD-NSHDSACASA-N 2 2 207.321 2.103 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000393410579 488041630 /nfs/dbraw/zinc/04/16/30/488041630.db2.gz DRCGNHXMUPJQKP-RFGFWPKPSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000393410579 488041635 /nfs/dbraw/zinc/04/16/35/488041635.db2.gz DRCGNHXMUPJQKP-RFGFWPKPSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n1C ZINC000667555808 488044715 /nfs/dbraw/zinc/04/47/15/488044715.db2.gz NXCDGBXGLNHGQD-JSGCOSHPSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)n1C ZINC000667555808 488044719 /nfs/dbraw/zinc/04/47/19/488044719.db2.gz NXCDGBXGLNHGQD-JSGCOSHPSA-N 2 2 233.359 2.493 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000667567795 488048466 /nfs/dbraw/zinc/04/84/66/488048466.db2.gz IEAZYNKUVNPHIU-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000667567795 488048469 /nfs/dbraw/zinc/04/84/69/488048469.db2.gz IEAZYNKUVNPHIU-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C)[C@H]2C)n1C ZINC000667568141 488049070 /nfs/dbraw/zinc/04/90/70/488049070.db2.gz UVOYYBLFNHXLKF-WDEREUQCSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)n1C ZINC000667568141 488049076 /nfs/dbraw/zinc/04/90/76/488049076.db2.gz UVOYYBLFNHXLKF-WDEREUQCSA-N 2 2 221.348 2.349 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCC3(CCC3)C1)CCC2 ZINC000667644653 488067826 /nfs/dbraw/zinc/06/78/26/488067826.db2.gz QODXHFFANFFXLG-UHFFFAOYSA-N 2 2 231.343 2.205 20 0 BEADLP Cc1[nH+]cn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000319813691 488070182 /nfs/dbraw/zinc/07/01/82/488070182.db2.gz VHOGIHOXDZWPMX-VXGBXAGGSA-N 2 2 235.375 2.478 20 0 BEADLP Cc1[nH+]cc(C[NH+](CC2CC2)CC2CC2)n1C ZINC000667649228 488071811 /nfs/dbraw/zinc/07/18/11/488071811.db2.gz MNQFPUQOGFQGBV-UHFFFAOYSA-N 2 2 233.359 2.351 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650033 488072771 /nfs/dbraw/zinc/07/27/71/488072771.db2.gz KCMXAFSYWUAFBH-NWDGAFQWSA-N 2 2 233.359 2.450 20 0 BEADLP C[C@H]1CC[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667650034 488073357 /nfs/dbraw/zinc/07/33/57/488073357.db2.gz KCMXAFSYWUAFBH-RYUDHWBXSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@@](C)([NH2+]CC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000574863958 488084616 /nfs/dbraw/zinc/08/46/16/488084616.db2.gz RGRWAMDXGDVXTJ-VHSXEESVSA-N 2 2 238.297 2.307 20 0 BEADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H](C3CC3)C1)CCC2 ZINC000667680501 488085020 /nfs/dbraw/zinc/08/50/20/488085020.db2.gz IOQOJMBRIVGMNC-LBPRGKRZSA-N 2 2 231.343 2.061 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H](C3CC3)C1)CCC2 ZINC000667680501 488085025 /nfs/dbraw/zinc/08/50/25/488085025.db2.gz IOQOJMBRIVGMNC-LBPRGKRZSA-N 2 2 231.343 2.061 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000389306840 488087546 /nfs/dbraw/zinc/08/75/46/488087546.db2.gz FKRWCXJQIYHCGP-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000389306840 488087553 /nfs/dbraw/zinc/08/75/53/488087553.db2.gz FKRWCXJQIYHCGP-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667693579 488089188 /nfs/dbraw/zinc/08/91/88/488089188.db2.gz PPOPLHSGCGTFQF-WDEREUQCSA-N 2 2 219.332 2.060 20 0 BEADLP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667693579 488089191 /nfs/dbraw/zinc/08/91/91/488089191.db2.gz PPOPLHSGCGTFQF-WDEREUQCSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1ccnc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000683010617 488090825 /nfs/dbraw/zinc/09/08/25/488090825.db2.gz CIFDNNGOQCENOW-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1ccnc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000683010617 488090831 /nfs/dbraw/zinc/09/08/31/488090831.db2.gz CIFDNNGOQCENOW-UKRRQHHQSA-N 2 2 247.386 2.305 20 0 BEADLP CC[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667698043 488092125 /nfs/dbraw/zinc/09/21/25/488092125.db2.gz VWUBOFMURPPJRW-NSHDSACASA-N 2 2 219.332 2.061 20 0 BEADLP CC[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667698043 488092129 /nfs/dbraw/zinc/09/21/29/488092129.db2.gz VWUBOFMURPPJRW-NSHDSACASA-N 2 2 219.332 2.061 20 0 BEADLP c1[nH+]cn2c1C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000660584949 488093928 /nfs/dbraw/zinc/09/39/28/488093928.db2.gz WEUPDBGMRJAPLT-FRRDWIJNSA-N 2 2 231.343 2.135 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CC2 ZINC000660584949 488093930 /nfs/dbraw/zinc/09/39/30/488093930.db2.gz WEUPDBGMRJAPLT-FRRDWIJNSA-N 2 2 231.343 2.135 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000162089547 487537019 /nfs/dbraw/zinc/53/70/19/487537019.db2.gz PTOANIZBFFXOFV-GFCCVEGCSA-N 2 2 206.333 2.001 20 0 BEADLP C[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)[NH3+] ZINC000403176662 488116763 /nfs/dbraw/zinc/11/67/63/488116763.db2.gz PCMWDAAXTKYIIO-GRYCIOLGSA-N 2 2 210.365 2.092 20 0 BEADLP C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)CC(C)(C)[NH3+] ZINC000403176662 488116766 /nfs/dbraw/zinc/11/67/66/488116766.db2.gz PCMWDAAXTKYIIO-GRYCIOLGSA-N 2 2 210.365 2.092 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000162094804 487537620 /nfs/dbraw/zinc/53/76/20/487537620.db2.gz YMKSJYCJLHLSBA-JTQLQIEISA-N 2 2 224.373 2.106 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403584993 488127591 /nfs/dbraw/zinc/12/75/91/488127591.db2.gz CRQHLFMHZPLWET-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403584993 488127597 /nfs/dbraw/zinc/12/75/97/488127597.db2.gz CRQHLFMHZPLWET-MQYQWHSLSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000076679572 488128602 /nfs/dbraw/zinc/12/86/02/488128602.db2.gz IJNUBUDHDDYMMR-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000076679572 488128607 /nfs/dbraw/zinc/12/86/07/488128607.db2.gz IJNUBUDHDDYMMR-HNNXBMFYSA-N 2 2 232.371 2.221 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000162145833 487540549 /nfs/dbraw/zinc/54/05/49/487540549.db2.gz LRGYTCNRCCGWDH-GFCCVEGCSA-N 2 2 206.333 2.001 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000162145141 487540642 /nfs/dbraw/zinc/54/06/42/487540642.db2.gz GXURTVMNKOMZJT-LBPRGKRZSA-N 2 2 206.333 2.001 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000162185637 487543275 /nfs/dbraw/zinc/54/32/75/487543275.db2.gz HMPYJEBHMPNNEX-SNVBAGLBSA-N 2 2 226.751 2.346 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000382111744 487531624 /nfs/dbraw/zinc/53/16/24/487531624.db2.gz KRPSYXSZWCOBNW-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000382111744 487531627 /nfs/dbraw/zinc/53/16/27/487531627.db2.gz KRPSYXSZWCOBNW-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](CC[NH3+])CCc1c(F)cccc1Cl ZINC000231819612 487477381 /nfs/dbraw/zinc/47/73/81/487477381.db2.gz ISDUSNIDFCJRMW-UHFFFAOYSA-N 2 2 244.741 2.302 20 0 BEADLP CC[N@@H+](CC[NH3+])CCc1c(F)cccc1Cl ZINC000231819612 487477384 /nfs/dbraw/zinc/47/73/84/487477384.db2.gz ISDUSNIDFCJRMW-UHFFFAOYSA-N 2 2 244.741 2.302 20 0 BEADLP CC[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000671439112 487484094 /nfs/dbraw/zinc/48/40/94/487484094.db2.gz NREJLBWGPBPLEY-UHFFFAOYSA-N 2 2 233.359 2.419 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000304513985 487508737 /nfs/dbraw/zinc/50/87/37/487508737.db2.gz DRCGNHXMUPJQKP-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000304513985 487508741 /nfs/dbraw/zinc/50/87/41/487508741.db2.gz DRCGNHXMUPJQKP-ZOBORPQBSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000397741965 488142824 /nfs/dbraw/zinc/14/28/24/488142824.db2.gz HRASUOPYIYKZBW-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC2(C)C)C1 ZINC000397741965 488142828 /nfs/dbraw/zinc/14/28/28/488142828.db2.gz HRASUOPYIYKZBW-AVGNSLFASA-N 2 2 224.392 2.495 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC000258818634 488136877 /nfs/dbraw/zinc/13/68/77/488136877.db2.gz FDHXRBIMVOIPTA-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC000258818634 488136883 /nfs/dbraw/zinc/13/68/83/488136883.db2.gz FDHXRBIMVOIPTA-JTQLQIEISA-N 2 2 240.297 2.006 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859195 488140153 /nfs/dbraw/zinc/14/01/53/488140153.db2.gz HXBNAAZKLKQOKG-QPSCCSFWSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859195 488140158 /nfs/dbraw/zinc/14/01/58/488140158.db2.gz HXBNAAZKLKQOKG-QPSCCSFWSA-N 2 2 234.387 2.249 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1C[C@@H]1C ZINC000666088608 488149645 /nfs/dbraw/zinc/14/96/45/488149645.db2.gz CQNOGZZWAXXIMI-ATGSNQNLSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[C@@H]1C ZINC000666088608 488149653 /nfs/dbraw/zinc/14/96/53/488149653.db2.gz CQNOGZZWAXXIMI-ATGSNQNLSA-N 2 2 236.403 2.495 20 0 BEADLP c1cn(CC[N@@H+]2CCCc3sccc3C2)c[nH+]1 ZINC000677984253 488169950 /nfs/dbraw/zinc/16/99/50/488169950.db2.gz RMOLSAKQYZCDLE-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP c1cn(CC[N@H+]2CCCc3sccc3C2)c[nH+]1 ZINC000677984253 488169956 /nfs/dbraw/zinc/16/99/56/488169956.db2.gz RMOLSAKQYZCDLE-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003570 488181624 /nfs/dbraw/zinc/18/16/24/488181624.db2.gz UBWUXWSZWWHEIP-DGCLKSJQSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003570 488181628 /nfs/dbraw/zinc/18/16/28/488181628.db2.gz UBWUXWSZWWHEIP-DGCLKSJQSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003571 488181786 /nfs/dbraw/zinc/18/17/86/488181786.db2.gz UBWUXWSZWWHEIP-WCQYABFASA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668003571 488181791 /nfs/dbraw/zinc/18/17/91/488181791.db2.gz UBWUXWSZWWHEIP-WCQYABFASA-N 2 2 233.359 2.450 20 0 BEADLP c1cn([C@@H]2CCC[N@@H+](Cc3cncs3)C2)c[nH+]1 ZINC000678235525 488223046 /nfs/dbraw/zinc/22/30/46/488223046.db2.gz VOBPHBKLQKATCU-LLVKDONJSA-N 2 2 248.355 2.177 20 0 BEADLP c1cn([C@@H]2CCC[N@H+](Cc3cncs3)C2)c[nH+]1 ZINC000678235525 488223049 /nfs/dbraw/zinc/22/30/49/488223049.db2.gz VOBPHBKLQKATCU-LLVKDONJSA-N 2 2 248.355 2.177 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(C)n1 ZINC000678413753 488252704 /nfs/dbraw/zinc/25/27/04/488252704.db2.gz LZQVAYVHAIYBLH-KBPBESRZSA-N 2 2 247.386 2.443 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)n1 ZINC000678413753 488252706 /nfs/dbraw/zinc/25/27/06/488252706.db2.gz LZQVAYVHAIYBLH-KBPBESRZSA-N 2 2 247.386 2.443 20 0 BEADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC[NH+](C)C ZINC000672616522 488261697 /nfs/dbraw/zinc/26/16/97/488261697.db2.gz DIXUXTCDLUASPD-IUODEOHRSA-N 2 2 232.371 2.461 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CCCCO)[NH+](C)C ZINC000679331052 488340284 /nfs/dbraw/zinc/34/02/84/488340284.db2.gz CNFIANNTBQJNON-KBPBESRZSA-N 2 2 244.423 2.103 20 0 BEADLP CCc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc[nH+]1 ZINC000679708765 488364852 /nfs/dbraw/zinc/36/48/52/488364852.db2.gz YADOFLQYMYPMLC-LLVKDONJSA-N 2 2 246.358 2.101 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648450446 490155203 /nfs/dbraw/zinc/15/52/03/490155203.db2.gz MDEXZUFGKFFQOJ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648450446 490155212 /nfs/dbraw/zinc/15/52/12/490155212.db2.gz MDEXZUFGKFFQOJ-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCc1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000057953713 490198876 /nfs/dbraw/zinc/19/88/76/490198876.db2.gz ZRZHGXXNLZZAMW-OAHLLOKOSA-N 2 2 232.371 2.215 20 0 BEADLP CCc1ccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000057953713 490198883 /nfs/dbraw/zinc/19/88/83/490198883.db2.gz ZRZHGXXNLZZAMW-OAHLLOKOSA-N 2 2 232.371 2.215 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000071201119 490258463 /nfs/dbraw/zinc/25/84/63/490258463.db2.gz TZJBPERYLMSXRB-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000071201119 490258466 /nfs/dbraw/zinc/25/84/66/490258466.db2.gz TZJBPERYLMSXRB-KBPBESRZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC1(F)F ZINC000666228699 490291203 /nfs/dbraw/zinc/29/12/03/490291203.db2.gz WDIIHOHVOWIHHT-KLBPJQLPSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CC1(F)F ZINC000666228699 490291209 /nfs/dbraw/zinc/29/12/09/490291209.db2.gz WDIIHOHVOWIHHT-KLBPJQLPSA-N 2 2 244.329 2.245 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655704631 491062559 /nfs/dbraw/zinc/06/25/59/491062559.db2.gz HCSAFVONMXWPEM-NWDGAFQWSA-N 2 2 230.421 2.200 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655704631 491062561 /nfs/dbraw/zinc/06/25/61/491062561.db2.gz HCSAFVONMXWPEM-NWDGAFQWSA-N 2 2 230.421 2.200 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000651910714 491077952 /nfs/dbraw/zinc/07/79/52/491077952.db2.gz GBCNOWIGAVVGIR-BVUBDWEXSA-N 2 2 244.382 2.391 20 0 BEADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000651910714 491077953 /nfs/dbraw/zinc/07/79/53/491077953.db2.gz GBCNOWIGAVVGIR-BVUBDWEXSA-N 2 2 244.382 2.391 20 0 BEADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651695343 491073878 /nfs/dbraw/zinc/07/38/78/491073878.db2.gz GDJSBEMPFZMRTC-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651695343 491073879 /nfs/dbraw/zinc/07/38/79/491073879.db2.gz GDJSBEMPFZMRTC-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP C1=CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000122063485 491111161 /nfs/dbraw/zinc/11/11/61/491111161.db2.gz LVGYRVLNZDFXKX-UHFFFAOYSA-N 2 2 243.354 2.359 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]CCCNc1cccc[nH+]1 ZINC000336775816 491120662 /nfs/dbraw/zinc/12/06/62/491120662.db2.gz CTTIEIVCLNQWJD-NEPJUHHUSA-N 2 2 219.332 2.129 20 0 BEADLP C[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000091660535 491131366 /nfs/dbraw/zinc/13/13/66/491131366.db2.gz IJTJULJVTZPTRK-CQSZACIVSA-N 2 2 245.370 2.143 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000131924780 491134108 /nfs/dbraw/zinc/13/41/08/491134108.db2.gz COKWEAKPPZINHR-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308978627 491141721 /nfs/dbraw/zinc/14/17/21/491141721.db2.gz HIXNPLKKJQKMAK-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308978627 491141722 /nfs/dbraw/zinc/14/17/22/491141722.db2.gz HIXNPLKKJQKMAK-NQBHXWOUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000400631248 533919429 /nfs/dbraw/zinc/91/94/29/533919429.db2.gz LRYLSCAQSCDCTA-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000494884701 533949736 /nfs/dbraw/zinc/94/97/36/533949736.db2.gz YXLDBSQTGOESJI-BZPMIXESSA-N 2 2 247.386 2.396 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000488342388 534020473 /nfs/dbraw/zinc/02/04/73/534020473.db2.gz WVVRGLUJLAMWPC-HZSPNIEDSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000488342388 534020477 /nfs/dbraw/zinc/02/04/77/534020477.db2.gz WVVRGLUJLAMWPC-HZSPNIEDSA-N 2 2 222.376 2.203 20 0 BEADLP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400566374 534820021 /nfs/dbraw/zinc/82/00/21/534820021.db2.gz IWOKOUODBWKXKV-PWSUYJOCSA-N 2 2 224.373 2.287 20 0 BEADLP CCCSC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000892440762 582887411 /nfs/dbraw/zinc/88/74/11/582887411.db2.gz FLTRGHXSSNOXJU-NSHDSACASA-N 2 2 227.377 2.004 20 0 BEADLP C[N@H+](Cc1cc(F)cc(F)c1)CC(C)(C)[NH3+] ZINC000262032160 536459069 /nfs/dbraw/zinc/45/90/69/536459069.db2.gz XFUCMACZPNFSOY-UHFFFAOYSA-N 2 2 228.286 2.134 20 0 BEADLP C[N@@H+](Cc1cc(F)cc(F)c1)CC(C)(C)[NH3+] ZINC000262032160 536459074 /nfs/dbraw/zinc/45/90/74/536459074.db2.gz XFUCMACZPNFSOY-UHFFFAOYSA-N 2 2 228.286 2.134 20 0 BEADLP CCCSC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000892568337 582915297 /nfs/dbraw/zinc/91/52/97/582915297.db2.gz YPHBGGURPXXEPX-RYUDHWBXSA-N 2 2 241.404 2.393 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000486924107 529106755 /nfs/dbraw/zinc/10/67/55/529106755.db2.gz BZQXKAOUGOSNFT-QTLSWZBMSA-N 2 2 245.370 2.169 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000486924107 529106757 /nfs/dbraw/zinc/10/67/57/529106757.db2.gz BZQXKAOUGOSNFT-QTLSWZBMSA-N 2 2 245.370 2.169 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261550827 535041489 /nfs/dbraw/zinc/04/14/89/535041489.db2.gz QZPVEDZKNSEEEC-IUODEOHRSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261550827 535041494 /nfs/dbraw/zinc/04/14/94/535041494.db2.gz QZPVEDZKNSEEEC-IUODEOHRSA-N 2 2 248.370 2.253 20 0 BEADLP CCC[C@H](C)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000251398797 535608891 /nfs/dbraw/zinc/60/88/91/535608891.db2.gz ZKYAMCJDTOCFRP-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](C)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC000251398797 535608897 /nfs/dbraw/zinc/60/88/97/535608897.db2.gz ZKYAMCJDTOCFRP-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000262117191 535938546 /nfs/dbraw/zinc/93/85/46/535938546.db2.gz MZVMICPGNMMGHC-OLZOCXBDSA-N 2 2 222.307 2.228 20 0 BEADLP CC[C@H](O)CC[NH2+]CCCc1c[nH+]ccc1C ZINC000348094527 535977438 /nfs/dbraw/zinc/97/74/38/535977438.db2.gz GQKNEGWRZFOICZ-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348245394 536375754 /nfs/dbraw/zinc/37/57/54/536375754.db2.gz OKRLSHZAWNVDGN-ARFHVFGLSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348245394 536375756 /nfs/dbraw/zinc/37/57/56/536375756.db2.gz OKRLSHZAWNVDGN-ARFHVFGLSA-N 2 2 244.382 2.474 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@@H]1C ZINC000346694039 536458768 /nfs/dbraw/zinc/45/87/68/536458768.db2.gz RMCAHNYGYZJBGX-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1C ZINC000346694039 536458771 /nfs/dbraw/zinc/45/87/71/536458771.db2.gz RMCAHNYGYZJBGX-MJBXVCDLSA-N 2 2 224.392 2.497 20 0 BEADLP COC1(C[NH2+]CCCc2c[nH+]ccc2C)CCC1 ZINC000348219859 536675047 /nfs/dbraw/zinc/67/50/47/536675047.db2.gz MSZRXYWLOSUJPN-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC000251874084 566434872 /nfs/dbraw/zinc/43/48/72/566434872.db2.gz QSVKIAYQYQPCNO-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000251874084 566434875 /nfs/dbraw/zinc/43/48/75/566434875.db2.gz QSVKIAYQYQPCNO-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc2c(c1)CCO2 ZINC000854231745 588781212 /nfs/dbraw/zinc/78/12/12/588781212.db2.gz GPVQSVRKPRTQNS-SMDDNHRTSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000854233090 588781318 /nfs/dbraw/zinc/78/13/18/588781318.db2.gz XHIWFECMEJHOCS-MNOVXSKESA-N 2 2 224.323 2.393 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000854233092 588781331 /nfs/dbraw/zinc/78/13/31/588781331.db2.gz XHIWFECMEJHOCS-WDEREUQCSA-N 2 2 224.323 2.393 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)[C@H]1C ZINC000313301101 582681717 /nfs/dbraw/zinc/68/17/17/582681717.db2.gz OMYIDJQDXLXOPK-DYEKYZERSA-N 2 2 235.375 2.377 20 0 BEADLP Cc1cc(NC[C@H](C)[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000891754684 582716586 /nfs/dbraw/zinc/71/65/86/582716586.db2.gz BMUSSUUHEADWSS-NSHDSACASA-N 2 2 248.374 2.415 20 0 BEADLP CCc1cc(NC[C@H]2CCC[N@@H+]2C)nc(CC)[nH+]1 ZINC000892007076 582760027 /nfs/dbraw/zinc/76/00/27/582760027.db2.gz DIEMVUMHZMNFRL-GFCCVEGCSA-N 2 2 248.374 2.108 20 0 BEADLP CCc1cc(NC[C@H]2CCC[N@H+]2C)nc(CC)[nH+]1 ZINC000892007076 582760028 /nfs/dbraw/zinc/76/00/28/582760028.db2.gz DIEMVUMHZMNFRL-GFCCVEGCSA-N 2 2 248.374 2.108 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000092332214 582855108 /nfs/dbraw/zinc/85/51/08/582855108.db2.gz QELCOAFBOJPFCL-SNVBAGLBSA-N 2 2 248.330 2.229 20 0 BEADLP C[C@H](O)c1cccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674452 582948338 /nfs/dbraw/zinc/94/83/38/582948338.db2.gz VJEQDKWYTYAAPX-SDDRHHMPSA-N 2 2 249.358 2.030 20 0 BEADLP C[C@H](O)c1cccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000892674452 582948340 /nfs/dbraw/zinc/94/83/40/582948340.db2.gz VJEQDKWYTYAAPX-SDDRHHMPSA-N 2 2 249.358 2.030 20 0 BEADLP c1ccc2c(c1)CC[C@H]2C[NH2+]CC[NH+]1CCCC1 ZINC000893320883 583100485 /nfs/dbraw/zinc/10/04/85/583100485.db2.gz STPNYENWUXJCGY-HNNXBMFYSA-N 2 2 244.382 2.402 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cscn1 ZINC000651866594 583147200 /nfs/dbraw/zinc/14/72/00/583147200.db2.gz KBJMJDVMYKISEH-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cscn1 ZINC000651866594 583147203 /nfs/dbraw/zinc/14/72/03/583147203.db2.gz KBJMJDVMYKISEH-UHFFFAOYSA-N 2 2 241.404 2.211 20 0 BEADLP CC[C@@H]1C[NH+](CCC[NH2+]C2CC2)C[C@@H](CC)O1 ZINC000398868719 583167537 /nfs/dbraw/zinc/16/75/37/583167537.db2.gz VLIVZGKQTPXJIO-ZIAGYGMSSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000222583315 583178740 /nfs/dbraw/zinc/17/87/40/583178740.db2.gz ZEYPPJADGYKWNT-WCQYABFASA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000222583315 583178741 /nfs/dbraw/zinc/17/87/41/583178741.db2.gz ZEYPPJADGYKWNT-WCQYABFASA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000222583390 583178852 /nfs/dbraw/zinc/17/88/52/583178852.db2.gz ZEYPPJADGYKWNT-DGCLKSJQSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000222583390 583178856 /nfs/dbraw/zinc/17/88/56/583178856.db2.gz ZEYPPJADGYKWNT-DGCLKSJQSA-N 2 2 236.334 2.050 20 0 BEADLP Cc1cc(N[C@@H](C)C[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000893857473 583233462 /nfs/dbraw/zinc/23/34/62/583233462.db2.gz OQLUTJQJMSPKFP-NSHDSACASA-N 2 2 248.374 2.415 20 0 BEADLP Cc1occc1C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894200164 583337198 /nfs/dbraw/zinc/33/71/98/583337198.db2.gz WFRCLVZYEYQZFM-UHFFFAOYSA-N 2 2 231.299 2.163 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccsc3)CC[C@H]21 ZINC000877742841 583345436 /nfs/dbraw/zinc/34/54/36/583345436.db2.gz GPRNTXQQNMSXQR-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccsc3)CC[C@H]21 ZINC000877742841 583345439 /nfs/dbraw/zinc/34/54/39/583345439.db2.gz GPRNTXQQNMSXQR-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000877742841 583345443 /nfs/dbraw/zinc/34/54/43/583345443.db2.gz GPRNTXQQNMSXQR-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000877742841 583345446 /nfs/dbraw/zinc/34/54/46/583345446.db2.gz GPRNTXQQNMSXQR-QWHCGFSZSA-N 2 2 236.384 2.274 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000894261090 583399488 /nfs/dbraw/zinc/39/94/88/583399488.db2.gz SYUCBTFXAXWXQD-GFCCVEGCSA-N 2 2 241.338 2.304 20 0 BEADLP Fc1ccccc1CCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894629038 583497135 /nfs/dbraw/zinc/49/71/35/583497135.db2.gz PQCKOGQIAJKJES-UHFFFAOYSA-N 2 2 233.290 2.271 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000894779349 583519496 /nfs/dbraw/zinc/51/94/96/583519496.db2.gz GRMPNKCNAVIUHN-GFCCVEGCSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000894783413 583521580 /nfs/dbraw/zinc/52/15/80/583521580.db2.gz UALYBFXGTUGXJP-GXTWGEPZSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000894783413 583521581 /nfs/dbraw/zinc/52/15/81/583521581.db2.gz UALYBFXGTUGXJP-GXTWGEPZSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000894783413 583521582 /nfs/dbraw/zinc/52/15/82/583521582.db2.gz UALYBFXGTUGXJP-GXTWGEPZSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000894783413 583521583 /nfs/dbraw/zinc/52/15/83/583521583.db2.gz UALYBFXGTUGXJP-GXTWGEPZSA-N 2 2 236.359 2.360 20 0 BEADLP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894882595 583544668 /nfs/dbraw/zinc/54/46/68/583544668.db2.gz ISEWNGAOMREOQP-GHMZBOCLSA-N 2 2 207.321 2.326 20 0 BEADLP CC[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894882617 583544753 /nfs/dbraw/zinc/54/47/53/583544753.db2.gz ISEWNGAOMREOQP-QWRGUYRKSA-N 2 2 207.321 2.326 20 0 BEADLP CO[C@](C)(C[NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000894899205 583550606 /nfs/dbraw/zinc/55/06/06/583550606.db2.gz RXSXDXKXHNWZGB-CQSZACIVSA-N 2 2 245.326 2.061 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000894955864 583559469 /nfs/dbraw/zinc/55/94/69/583559469.db2.gz JPODXKUKPSFOTE-LLVKDONJSA-N 2 2 230.421 2.202 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c[nH+]1 ZINC000894987975 583565573 /nfs/dbraw/zinc/56/55/73/583565573.db2.gz WOGQUIPPFKKJQU-YPMHNXCESA-N 2 2 219.332 2.326 20 0 BEADLP FC(F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246936338 583577965 /nfs/dbraw/zinc/57/79/65/583577965.db2.gz TZCGRZSEWOHRAX-CMPLNLGQSA-N 2 2 244.329 2.200 20 0 BEADLP FC(F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246936338 583577967 /nfs/dbraw/zinc/57/79/67/583577967.db2.gz TZCGRZSEWOHRAX-CMPLNLGQSA-N 2 2 244.329 2.200 20 0 BEADLP FC(F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246936338 583577969 /nfs/dbraw/zinc/57/79/69/583577969.db2.gz TZCGRZSEWOHRAX-CMPLNLGQSA-N 2 2 244.329 2.200 20 0 BEADLP FC(F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246936338 583577971 /nfs/dbraw/zinc/57/79/71/583577971.db2.gz TZCGRZSEWOHRAX-CMPLNLGQSA-N 2 2 244.329 2.200 20 0 BEADLP Cc1coc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000895460527 583677548 /nfs/dbraw/zinc/67/75/48/583677548.db2.gz HUNAJQJQUKTNDQ-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000895460527 583677550 /nfs/dbraw/zinc/67/75/50/583677550.db2.gz HUNAJQJQUKTNDQ-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000895460527 583677552 /nfs/dbraw/zinc/67/75/52/583677552.db2.gz HUNAJQJQUKTNDQ-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000895460527 583677554 /nfs/dbraw/zinc/67/75/54/583677554.db2.gz HUNAJQJQUKTNDQ-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)CC(F)F ZINC000895535485 583686844 /nfs/dbraw/zinc/68/68/44/583686844.db2.gz RRTQABDWUVJCOG-UHFFFAOYSA-N 2 2 217.263 2.181 20 0 BEADLP COC[C@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000895623944 583697798 /nfs/dbraw/zinc/69/77/98/583697798.db2.gz YTVVMXVOPQYNKZ-GASCZTMLSA-N 2 2 248.370 2.337 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccoc2)CC1 ZINC000895670400 583706163 /nfs/dbraw/zinc/70/61/63/583706163.db2.gz GKCYEPWDOCUAIM-UHFFFAOYSA-N 2 2 234.343 2.340 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000896555600 583811509 /nfs/dbraw/zinc/81/15/09/583811509.db2.gz PGJPIEQZJSNZCZ-SYAUCNOPSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000896555600 583811510 /nfs/dbraw/zinc/81/15/10/583811510.db2.gz PGJPIEQZJSNZCZ-SYAUCNOPSA-N 2 2 244.382 2.472 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000729682125 584022854 /nfs/dbraw/zinc/02/28/54/584022854.db2.gz NKKOSALNILZOEB-HZRUHFOJSA-N 2 2 246.354 2.002 20 0 BEADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000729682125 584022856 /nfs/dbraw/zinc/02/28/56/584022856.db2.gz NKKOSALNILZOEB-HZRUHFOJSA-N 2 2 246.354 2.002 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000865734240 584027859 /nfs/dbraw/zinc/02/78/59/584027859.db2.gz ORWMKABWEMLCMV-ZPFDUUQYSA-N 2 2 240.416 2.095 20 0 BEADLP CS[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000865734240 584027861 /nfs/dbraw/zinc/02/78/61/584027861.db2.gz ORWMKABWEMLCMV-ZPFDUUQYSA-N 2 2 240.416 2.095 20 0 BEADLP c1[nH]c(C[NH2+][C@H]2CCCc3ccccc3C2)c[nH+]1 ZINC000897708969 584042127 /nfs/dbraw/zinc/04/21/27/584042127.db2.gz GVHKJAFUWRQFEJ-AWEZNQCLSA-N 2 2 241.338 2.447 20 0 BEADLP Cn1c[nH+]cc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897711996 584042733 /nfs/dbraw/zinc/04/27/33/584042733.db2.gz KECCXTGVYDDCKU-UHFFFAOYSA-N 2 2 228.299 2.305 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000898034111 584077899 /nfs/dbraw/zinc/07/78/99/584077899.db2.gz IJYMITPQDDZJCK-GFCCVEGCSA-N 2 2 242.432 2.061 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+]C[C@H]2CCSC2)C1 ZINC000898034111 584077900 /nfs/dbraw/zinc/07/79/00/584077900.db2.gz IJYMITPQDDZJCK-GFCCVEGCSA-N 2 2 242.432 2.061 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898034513 584078467 /nfs/dbraw/zinc/07/84/67/584078467.db2.gz RYTGZGXFSHMUFI-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898034513 584078470 /nfs/dbraw/zinc/07/84/70/584078470.db2.gz RYTGZGXFSHMUFI-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCSC2)C1 ZINC000898034938 584079118 /nfs/dbraw/zinc/07/91/18/584079118.db2.gz CZRORHDAAMTGPZ-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCSC2)C1 ZINC000898034938 584079120 /nfs/dbraw/zinc/07/91/20/584079120.db2.gz CZRORHDAAMTGPZ-LBPRGKRZSA-N 2 2 242.432 2.204 20 0 BEADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000898034690 584079350 /nfs/dbraw/zinc/07/93/50/584079350.db2.gz VSFPUWBAPAKBFH-MJBXVCDLSA-N 2 2 236.403 2.497 20 0 BEADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000898034690 584079352 /nfs/dbraw/zinc/07/93/52/584079352.db2.gz VSFPUWBAPAKBFH-MJBXVCDLSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC=CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000898224432 584102588 /nfs/dbraw/zinc/10/25/88/584102588.db2.gz WSJZHUCKZHBCNX-DGCLKSJQSA-N 2 2 231.343 2.274 20 0 BEADLP Cc1cc(CNc2cc[nH+]c(CO)c2)cc(C)[nH+]1 ZINC000858572589 588967917 /nfs/dbraw/zinc/96/79/17/588967917.db2.gz QUTVOXRIYTZUAR-UHFFFAOYSA-N 2 2 243.310 2.198 20 0 BEADLP CCCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858600389 588970046 /nfs/dbraw/zinc/97/00/46/588970046.db2.gz VUOOLAWDNIPBTR-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858600389 588970047 /nfs/dbraw/zinc/97/00/47/588970047.db2.gz VUOOLAWDNIPBTR-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCn1cc[nH+]c1NCc1[nH+]ccn1C1CC1 ZINC000902114893 584527647 /nfs/dbraw/zinc/52/76/47/584527647.db2.gz TVDHLYUDMWKDOH-UHFFFAOYSA-N 2 2 231.303 2.047 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)oc1C ZINC000902403702 584587943 /nfs/dbraw/zinc/58/79/43/584587943.db2.gz AORUFEPGVFJGEQ-VIFPVBQESA-N 2 2 208.305 2.038 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415433 584589636 /nfs/dbraw/zinc/58/96/36/584589636.db2.gz NVTUETJJTJUEDZ-LLVKDONJSA-N 2 2 234.343 2.146 20 0 BEADLP CC1(C)Cc2occc2[C@H]([NH2+]CC2([NH3+])CC2)C1 ZINC000902418599 584591527 /nfs/dbraw/zinc/59/15/27/584591527.db2.gz XKZKQBYWNDTWCS-LLVKDONJSA-N 2 2 234.343 2.374 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cnc2ccsc2c1 ZINC000902418605 584591849 /nfs/dbraw/zinc/59/18/49/584591849.db2.gz XMGVUSXQGCBAMH-VIFPVBQESA-N 2 2 247.367 2.438 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440306 584596956 /nfs/dbraw/zinc/59/69/56/584596956.db2.gz YTUOMEOWOJZRNY-JUDXGUMMSA-N 2 2 230.355 2.389 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472682 584601284 /nfs/dbraw/zinc/60/12/84/584601284.db2.gz FJDLFYOTOXLUFK-REBRKWNGSA-N 2 2 246.329 2.296 20 0 BEADLP COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902478622 584603431 /nfs/dbraw/zinc/60/34/31/584603431.db2.gz VKMDYFUISRLXML-MMMKDXCPSA-N 2 2 246.354 2.239 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902447099 584604061 /nfs/dbraw/zinc/60/40/61/584604061.db2.gz RSPDWTRVJXWORM-RISCZKNCSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000902446670 584604284 /nfs/dbraw/zinc/60/42/84/584604284.db2.gz PVLYXJPYWMWGCM-ZWNOBZJWSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448714 584605772 /nfs/dbraw/zinc/60/57/72/584605772.db2.gz HJAABBPLWSBQFN-YPMHNXCESA-N 2 2 233.359 2.039 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c(C)n1 ZINC000902451296 584606818 /nfs/dbraw/zinc/60/68/18/584606818.db2.gz WABXWLKAONOSGT-TZMCWYRMSA-N 2 2 247.386 2.347 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c(C)n1 ZINC000902451293 584606849 /nfs/dbraw/zinc/60/68/49/584606849.db2.gz WABXWLKAONOSGT-GXTWGEPZSA-N 2 2 247.386 2.347 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000902456481 584610128 /nfs/dbraw/zinc/61/01/28/584610128.db2.gz PDCBDYFFRSNCRI-NXEZZACHSA-N 2 2 239.363 2.188 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccncc1 ZINC000902458942 584610868 /nfs/dbraw/zinc/61/08/68/584610868.db2.gz AELAFRVWAYTADB-REWJHTLYSA-N 2 2 231.343 2.015 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccsc1 ZINC000902467832 584614759 /nfs/dbraw/zinc/61/47/59/584614759.db2.gz QMAZOJKUMXQLQD-SASUGWTJSA-N 2 2 222.357 2.292 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccsc1 ZINC000902467831 584614942 /nfs/dbraw/zinc/61/49/42/584614942.db2.gz QMAZOJKUMXQLQD-OHBODLIOSA-N 2 2 222.357 2.292 20 0 BEADLP [NH3+][C@@H]1C[C@@H]([NH2+]C/C=C\Cl)c2ccccc21 ZINC000902522874 584632219 /nfs/dbraw/zinc/63/22/19/584632219.db2.gz ZBJDLMKBXXWILV-BCIKPAMSSA-N 2 2 222.719 2.473 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000902653879 584651677 /nfs/dbraw/zinc/65/16/77/584651677.db2.gz SELXAQMUSCEEFT-TZMCWYRMSA-N 2 2 247.386 2.219 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000902653879 584651679 /nfs/dbraw/zinc/65/16/79/584651679.db2.gz SELXAQMUSCEEFT-TZMCWYRMSA-N 2 2 247.386 2.219 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000902653877 584651732 /nfs/dbraw/zinc/65/17/32/584651732.db2.gz SELXAQMUSCEEFT-JSGCOSHPSA-N 2 2 247.386 2.219 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000902653877 584651733 /nfs/dbraw/zinc/65/17/33/584651733.db2.gz SELXAQMUSCEEFT-JSGCOSHPSA-N 2 2 247.386 2.219 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902742732 584663636 /nfs/dbraw/zinc/66/36/36/584663636.db2.gz XCMOPCUMSSWTFK-JHJVBQTASA-N 2 2 233.359 2.440 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902742730 584663888 /nfs/dbraw/zinc/66/38/88/584663888.db2.gz XCMOPCUMSSWTFK-AGIUHOORSA-N 2 2 233.359 2.440 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902785196 584666177 /nfs/dbraw/zinc/66/61/77/584666177.db2.gz BPZZMAPOCZDUIO-BTTYYORXSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902785196 584666179 /nfs/dbraw/zinc/66/61/79/584666179.db2.gz BPZZMAPOCZDUIO-BTTYYORXSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902785198 584666428 /nfs/dbraw/zinc/66/64/28/584666428.db2.gz BPZZMAPOCZDUIO-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902785198 584666430 /nfs/dbraw/zinc/66/64/30/584666430.db2.gz BPZZMAPOCZDUIO-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902793939 584673253 /nfs/dbraw/zinc/67/32/53/584673253.db2.gz OYPUCVLISKNVQI-JHJVBQTASA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902793939 584673255 /nfs/dbraw/zinc/67/32/55/584673255.db2.gz OYPUCVLISKNVQI-JHJVBQTASA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)[NH+](C)C ZINC000902792480 584673282 /nfs/dbraw/zinc/67/32/82/584673282.db2.gz AIKJUBIPMJIQQG-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]3C1)CC2 ZINC000902961906 584706882 /nfs/dbraw/zinc/70/68/82/584706882.db2.gz ATCUGEKYAORICW-XJFOESAGSA-N 2 2 245.370 2.366 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1C[C@@H]3CCC[C@H]3C1)C2 ZINC000902993504 584711634 /nfs/dbraw/zinc/71/16/34/584711634.db2.gz UHGRZSDBBZPQGW-SDDRHHMPSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1C[C@@H]3CCC[C@H]3C1)CC2 ZINC000902993504 584711635 /nfs/dbraw/zinc/71/16/35/584711635.db2.gz UHGRZSDBBZPQGW-SDDRHHMPSA-N 2 2 245.370 2.435 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1OC)[NH+]1CCCC1 ZINC000903067024 584723209 /nfs/dbraw/zinc/72/32/09/584723209.db2.gz QQAGKQTVYJLPDY-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903200633 584735386 /nfs/dbraw/zinc/73/53/86/584735386.db2.gz ALFHWAVRGXTQNM-LLVKDONJSA-N 2 2 221.348 2.426 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(N(C)C)cc[nH+]2)C1 ZINC000903201247 584735475 /nfs/dbraw/zinc/73/54/75/584735475.db2.gz GYSIDSLMRWDWRG-NWDGAFQWSA-N 2 2 233.359 2.426 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300385 584743691 /nfs/dbraw/zinc/74/36/91/584743691.db2.gz HPWNRCQBJHWXGI-XQHKEYJVSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300385 584743693 /nfs/dbraw/zinc/74/36/93/584743693.db2.gz HPWNRCQBJHWXGI-XQHKEYJVSA-N 2 2 210.365 2.103 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300545 584743747 /nfs/dbraw/zinc/74/37/47/584743747.db2.gz HUXACVBSVJZPRM-OUCADQQQSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300545 584743748 /nfs/dbraw/zinc/74/37/48/584743748.db2.gz HUXACVBSVJZPRM-OUCADQQQSA-N 2 2 233.359 2.133 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CC[N@@H+]1C ZINC000903299410 584743976 /nfs/dbraw/zinc/74/39/76/584743976.db2.gz AZUBEPLJLVVCMO-YXCITZCRSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CC[N@H+]1C ZINC000903299410 584743978 /nfs/dbraw/zinc/74/39/78/584743978.db2.gz AZUBEPLJLVVCMO-YXCITZCRSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000903300967 584744422 /nfs/dbraw/zinc/74/44/22/584744422.db2.gz LVIBIKGKRYEQNW-IKWCTNDRSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000903300967 584744423 /nfs/dbraw/zinc/74/44/23/584744423.db2.gz LVIBIKGKRYEQNW-IKWCTNDRSA-N 2 2 240.391 2.015 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000903302137 584744441 /nfs/dbraw/zinc/74/44/41/584744441.db2.gz WTJDNLQCFGQKML-OUCADQQQSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000903302137 584744442 /nfs/dbraw/zinc/74/44/42/584744442.db2.gz WTJDNLQCFGQKML-OUCADQQQSA-N 2 2 233.359 2.133 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@@H+]1C ZINC000903300899 584744631 /nfs/dbraw/zinc/74/46/31/584744631.db2.gz MVTCGYBJJZMHSC-DGTMBMJNSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC[N@H+]1C ZINC000903300899 584744633 /nfs/dbraw/zinc/74/46/33/584744633.db2.gz MVTCGYBJJZMHSC-DGTMBMJNSA-N 2 2 236.403 2.493 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c(C)n1 ZINC000903301333 584745026 /nfs/dbraw/zinc/74/50/26/584745026.db2.gz OXJQXZCWVHGYGL-GUTXKFCHSA-N 2 2 247.386 2.442 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1 ZINC000903301333 584745027 /nfs/dbraw/zinc/74/50/27/584745027.db2.gz OXJQXZCWVHGYGL-GUTXKFCHSA-N 2 2 247.386 2.442 20 0 BEADLP CCCCC1([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000903312379 584748221 /nfs/dbraw/zinc/74/82/21/584748221.db2.gz VEQFIURGNWTTMD-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CCCCC1([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000903312379 584748222 /nfs/dbraw/zinc/74/82/22/584748222.db2.gz VEQFIURGNWTTMD-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903343288 584752670 /nfs/dbraw/zinc/75/26/70/584752670.db2.gz FPWNHDGWZSHARZ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903343288 584752672 /nfs/dbraw/zinc/75/26/72/584752672.db2.gz FPWNHDGWZSHARZ-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903382702 584757427 /nfs/dbraw/zinc/75/74/27/584757427.db2.gz HDGGIDTYYJPRMG-JSGCOSHPSA-N 2 2 235.375 2.463 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000903460409 584766564 /nfs/dbraw/zinc/76/65/64/584766564.db2.gz AWCFAGNNRDRXOV-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCCC[C@H]1C1CCC1 ZINC000903460409 584766566 /nfs/dbraw/zinc/76/65/66/584766566.db2.gz AWCFAGNNRDRXOV-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP Cc1cncc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903482127 584778751 /nfs/dbraw/zinc/77/87/51/584778751.db2.gz XYKIBUCKLBUJKH-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP CC1(C)C[N@@H+]([C@H]2CCc3ccc(F)cc32)C[C@@H]1[NH3+] ZINC000903556321 584782982 /nfs/dbraw/zinc/78/29/82/584782982.db2.gz UVGKJTFHXOFRAF-KBPBESRZSA-N 2 2 248.345 2.482 20 0 BEADLP CC1(C)C[N@H+]([C@H]2CCc3ccc(F)cc32)C[C@@H]1[NH3+] ZINC000903556321 584782983 /nfs/dbraw/zinc/78/29/83/584782983.db2.gz UVGKJTFHXOFRAF-KBPBESRZSA-N 2 2 248.345 2.482 20 0 BEADLP Cc1ccc(CC[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556154 584783130 /nfs/dbraw/zinc/78/31/30/584783130.db2.gz OTEVQEIDDQQSPB-AWEZNQCLSA-N 2 2 232.371 2.207 20 0 BEADLP Cc1ccc(CC[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903556154 584783131 /nfs/dbraw/zinc/78/31/31/584783131.db2.gz OTEVQEIDDQQSPB-AWEZNQCLSA-N 2 2 232.371 2.207 20 0 BEADLP C[NH2+]CC[N@H+](Cc1ccccc1N(C)C)C(C)C ZINC000903573019 584784039 /nfs/dbraw/zinc/78/40/39/584784039.db2.gz MTSCEQSPKUZWGI-UHFFFAOYSA-N 2 2 249.402 2.182 20 0 BEADLP C[NH2+]CC[N@@H+](Cc1ccccc1N(C)C)C(C)C ZINC000903573019 584784041 /nfs/dbraw/zinc/78/40/41/584784041.db2.gz MTSCEQSPKUZWGI-UHFFFAOYSA-N 2 2 249.402 2.182 20 0 BEADLP C[NH2+]CCN(Cc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000903575439 584784226 /nfs/dbraw/zinc/78/42/26/584784226.db2.gz OWECSHVVZBSFTP-UHFFFAOYSA-N 2 2 249.402 2.437 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903713295 584793672 /nfs/dbraw/zinc/79/36/72/584793672.db2.gz LTZBVIQZAGNWDV-POOIEITISA-N 2 2 210.365 2.234 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903713295 584793673 /nfs/dbraw/zinc/79/36/73/584793673.db2.gz LTZBVIQZAGNWDV-POOIEITISA-N 2 2 210.365 2.234 20 0 BEADLP CC(C)c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000903716003 584794264 /nfs/dbraw/zinc/79/42/64/584794264.db2.gz FHQCTDZKBDHZOO-ZDUSSCGKSA-N 2 2 218.344 2.343 20 0 BEADLP CC(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000903716003 584794265 /nfs/dbraw/zinc/79/42/65/584794265.db2.gz FHQCTDZKBDHZOO-ZDUSSCGKSA-N 2 2 218.344 2.343 20 0 BEADLP Cc1cc(C)[nH+]c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000903742034 584796789 /nfs/dbraw/zinc/79/67/89/584796789.db2.gz UTGCHTPDUWLMIN-OAHLLOKOSA-N 2 2 245.370 2.025 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000903761016 584797357 /nfs/dbraw/zinc/79/73/57/584797357.db2.gz NEDHBLSHARRWCA-HNNXBMFYSA-N 2 2 245.370 2.026 20 0 BEADLP Cc1cc(C)[nH+]c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000903769420 584798163 /nfs/dbraw/zinc/79/81/63/584798163.db2.gz FWDCZZCWVSSXJD-UKRRQHHQSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000903769420 584798165 /nfs/dbraw/zinc/79/81/65/584798165.db2.gz FWDCZZCWVSSXJD-UKRRQHHQSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000903769420 584798166 /nfs/dbraw/zinc/79/81/66/584798166.db2.gz FWDCZZCWVSSXJD-UKRRQHHQSA-N 2 2 245.370 2.012 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1CF ZINC000903779428 584799876 /nfs/dbraw/zinc/79/98/76/584799876.db2.gz ZANQSZMABKBADS-MFKMUULPSA-N 2 2 222.307 2.078 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1CF ZINC000903779428 584799877 /nfs/dbraw/zinc/79/98/77/584799877.db2.gz ZANQSZMABKBADS-MFKMUULPSA-N 2 2 222.307 2.078 20 0 BEADLP CC[N@H+](Cc1ccccc1CF)[C@@H]1CC[NH2+]C1 ZINC000903784420 584800363 /nfs/dbraw/zinc/80/03/63/584800363.db2.gz OGYWJNHPCJLODW-CQSZACIVSA-N 2 2 236.334 2.340 20 0 BEADLP CC[N@@H+](Cc1ccccc1CF)[C@@H]1CC[NH2+]C1 ZINC000903784420 584800365 /nfs/dbraw/zinc/80/03/65/584800365.db2.gz OGYWJNHPCJLODW-CQSZACIVSA-N 2 2 236.334 2.340 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CC1CC=CC1 ZINC000903801085 584801352 /nfs/dbraw/zinc/80/13/52/584801352.db2.gz KOGVPKAXAGLOEJ-ZIAGYGMSSA-N 2 2 220.360 2.156 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CC1CC=CC1 ZINC000903801085 584801353 /nfs/dbraw/zinc/80/13/53/584801353.db2.gz KOGVPKAXAGLOEJ-ZIAGYGMSSA-N 2 2 220.360 2.156 20 0 BEADLP COCCCCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799051 584801418 /nfs/dbraw/zinc/80/14/18/584801418.db2.gz PSTILQGUGBYJCU-UONOGXRCSA-N 2 2 240.391 2.006 20 0 BEADLP COCCCCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799051 584801419 /nfs/dbraw/zinc/80/14/19/584801419.db2.gz PSTILQGUGBYJCU-UONOGXRCSA-N 2 2 240.391 2.006 20 0 BEADLP COCCCCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799052 584801594 /nfs/dbraw/zinc/80/15/94/584801594.db2.gz PSTILQGUGBYJCU-ZIAGYGMSSA-N 2 2 240.391 2.006 20 0 BEADLP COCCCCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903799052 584801595 /nfs/dbraw/zinc/80/15/95/584801595.db2.gz PSTILQGUGBYJCU-ZIAGYGMSSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCCC1CC1 ZINC000903803018 584802327 /nfs/dbraw/zinc/80/23/27/584802327.db2.gz VPXDIFHSUWNSLH-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCCC1CC1 ZINC000903803018 584802329 /nfs/dbraw/zinc/80/23/29/584802329.db2.gz VPXDIFHSUWNSLH-KBPBESRZSA-N 2 2 222.376 2.380 20 0 BEADLP CC1CC(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903805659 584802648 /nfs/dbraw/zinc/80/26/48/584802648.db2.gz QUHIFJPVUKSMOS-PQAZSJQKSA-N 2 2 222.376 2.236 20 0 BEADLP CC1CC(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903805659 584802649 /nfs/dbraw/zinc/80/26/49/584802649.db2.gz QUHIFJPVUKSMOS-PQAZSJQKSA-N 2 2 222.376 2.236 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1F ZINC000903821287 584804063 /nfs/dbraw/zinc/80/40/63/584804063.db2.gz JLFAQCBWDRGWDY-CYBMUJFWSA-N 2 2 236.334 2.222 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000903825024 584804435 /nfs/dbraw/zinc/80/44/35/584804435.db2.gz XHDYCVLLQSEYKE-AWEZNQCLSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000903822934 584804666 /nfs/dbraw/zinc/80/46/66/584804666.db2.gz AGGBXRLYNSYIIP-AWEZNQCLSA-N 2 2 232.371 2.391 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000903858264 584810287 /nfs/dbraw/zinc/81/02/87/584810287.db2.gz WVGKXEIYGOPCEW-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000903858264 584810288 /nfs/dbraw/zinc/81/02/88/584810288.db2.gz WVGKXEIYGOPCEW-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000903858263 584810365 /nfs/dbraw/zinc/81/03/65/584810365.db2.gz WVGKXEIYGOPCEW-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000903858263 584810367 /nfs/dbraw/zinc/81/03/67/584810367.db2.gz WVGKXEIYGOPCEW-OCCSQVGLSA-N 2 2 234.318 2.139 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903862622 584813047 /nfs/dbraw/zinc/81/30/47/584813047.db2.gz AUHYGBABKRSADG-DZGCQCFKSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903862622 584813048 /nfs/dbraw/zinc/81/30/48/584813048.db2.gz AUHYGBABKRSADG-DZGCQCFKSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000903862622 584813049 /nfs/dbraw/zinc/81/30/49/584813049.db2.gz AUHYGBABKRSADG-DZGCQCFKSA-N 2 2 245.370 2.012 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870308 584814765 /nfs/dbraw/zinc/81/47/65/584814765.db2.gz MQODTTZJROTEKN-OAHLLOKOSA-N 2 2 248.345 2.484 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870308 584814767 /nfs/dbraw/zinc/81/47/67/584814767.db2.gz MQODTTZJROTEKN-OAHLLOKOSA-N 2 2 248.345 2.484 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000903873402 584815829 /nfs/dbraw/zinc/81/58/29/584815829.db2.gz QGLXVNZQGGIREG-MWLCHTKSSA-N 2 2 243.301 2.134 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000903873402 584815831 /nfs/dbraw/zinc/81/58/31/584815831.db2.gz QGLXVNZQGGIREG-MWLCHTKSSA-N 2 2 243.301 2.134 20 0 BEADLP C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903906001 584820818 /nfs/dbraw/zinc/82/08/18/584820818.db2.gz QWBUVQJXNKNGJM-ONGXEEELSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903906001 584820820 /nfs/dbraw/zinc/82/08/20/584820820.db2.gz QWBUVQJXNKNGJM-ONGXEEELSA-N 2 2 243.301 2.057 20 0 BEADLP C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915222 584820937 /nfs/dbraw/zinc/82/09/37/584820937.db2.gz OCOZMKHITWYAKQ-VHSXEESVSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000903915222 584820938 /nfs/dbraw/zinc/82/09/38/584820938.db2.gz OCOZMKHITWYAKQ-VHSXEESVSA-N 2 2 234.334 2.337 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000903960521 584828086 /nfs/dbraw/zinc/82/80/86/584828086.db2.gz NQHPVQMCZGQEPX-PRHODGIISA-N 2 2 242.725 2.177 20 0 BEADLP Cc1cc(NC[C@@H]2CC[NH2+][C@H](C)C2)c[nH+]c1C ZINC000903948004 584830132 /nfs/dbraw/zinc/83/01/32/584830132.db2.gz KMIRMRPJUSWNJT-DGCLKSJQSA-N 2 2 233.359 2.498 20 0 BEADLP CCCC[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950845 584830559 /nfs/dbraw/zinc/83/05/59/584830559.db2.gz RUIVVBOIAZECCH-SNVBAGLBSA-N 2 2 207.321 2.332 20 0 BEADLP Cc1ccc(C[NH2+]Cc2cc(N)cc[nH+]2)s1 ZINC000903950909 584830636 /nfs/dbraw/zinc/83/06/36/584830636.db2.gz SWQRRFUNJYCVKB-UHFFFAOYSA-N 2 2 233.340 2.324 20 0 BEADLP CCCC[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950843 584830963 /nfs/dbraw/zinc/83/09/63/584830963.db2.gz RUIVVBOIAZECCH-JTQLQIEISA-N 2 2 207.321 2.332 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950884 584831145 /nfs/dbraw/zinc/83/11/45/584831145.db2.gz SQPMDTBJBBYZHS-ZWNOBZJWSA-N 2 2 219.332 2.332 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000903964053 584834144 /nfs/dbraw/zinc/83/41/44/584834144.db2.gz KFRNZZPZXXWNQM-ZWNOBZJWSA-N 2 2 238.762 2.346 20 0 BEADLP CC1(C)C[N@H+](Cc2cccc3c2CCC3)C[C@@H]1[NH3+] ZINC000903986623 584835491 /nfs/dbraw/zinc/83/54/91/584835491.db2.gz NRRIJGIPZFRQLZ-HNNXBMFYSA-N 2 2 244.382 2.344 20 0 BEADLP CC1(C)C[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1[NH3+] ZINC000903986623 584835493 /nfs/dbraw/zinc/83/54/93/584835493.db2.gz NRRIJGIPZFRQLZ-HNNXBMFYSA-N 2 2 244.382 2.344 20 0 BEADLP C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CCCO1 ZINC000904307263 584862518 /nfs/dbraw/zinc/86/25/18/584862518.db2.gz NILXABRAMIUQLO-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1CCCO1 ZINC000904307263 584862519 /nfs/dbraw/zinc/86/25/19/584862519.db2.gz NILXABRAMIUQLO-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP Cc1cccc2c1CCC[N@@H+]2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328259 584865363 /nfs/dbraw/zinc/86/53/63/584865363.db2.gz CBYILNUSFVVXBI-BETUJISGSA-N 2 2 230.355 2.485 20 0 BEADLP Cc1cccc2c1CCC[N@H+]2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904328259 584865364 /nfs/dbraw/zinc/86/53/64/584865364.db2.gz CBYILNUSFVVXBI-BETUJISGSA-N 2 2 230.355 2.485 20 0 BEADLP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388881 584875092 /nfs/dbraw/zinc/87/50/92/584875092.db2.gz PYHLCNUGHDPDNF-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388881 584875093 /nfs/dbraw/zinc/87/50/93/584875093.db2.gz PYHLCNUGHDPDNF-OLZOCXBDSA-N 2 2 242.407 2.251 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904380000 584876463 /nfs/dbraw/zinc/87/64/63/584876463.db2.gz ZFCCGQNKZRAERZ-CHWSQXEVSA-N 3 2 243.439 2.103 20 0 BEADLP C[Si](C)(C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000731213506 584923766 /nfs/dbraw/zinc/92/37/66/584923766.db2.gz XGQTXVKQZXQRIY-LBPRGKRZSA-N 2 2 237.423 2.397 20 0 BEADLP C[Si](C)(C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000731213506 584923767 /nfs/dbraw/zinc/92/37/67/584923767.db2.gz XGQTXVKQZXQRIY-LBPRGKRZSA-N 2 2 237.423 2.397 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817980207 584994547 /nfs/dbraw/zinc/99/45/47/584994547.db2.gz SHXDYGPRUDZLPT-WCBMZHEXSA-N 2 2 227.739 2.123 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000756116819 585314764 /nfs/dbraw/zinc/31/47/64/585314764.db2.gz PZQIBWMUVLSPAT-RISCZKNCSA-N 2 2 236.334 2.223 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000756116819 585314765 /nfs/dbraw/zinc/31/47/65/585314765.db2.gz PZQIBWMUVLSPAT-RISCZKNCSA-N 2 2 236.334 2.223 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000756122541 585314992 /nfs/dbraw/zinc/31/49/92/585314992.db2.gz SSIFAGVZKIBMCT-FHERZECASA-N 2 2 244.382 2.400 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(c3ccccc3)C2)C1 ZINC000756122541 585314993 /nfs/dbraw/zinc/31/49/93/585314993.db2.gz SSIFAGVZKIBMCT-FHERZECASA-N 2 2 244.382 2.400 20 0 BEADLP CCCc1[nH+]ccn1Cc1cc[nH+]c(N(C)C)c1 ZINC000762477655 585432809 /nfs/dbraw/zinc/43/28/09/585432809.db2.gz BWAVRFGFBWYHAN-UHFFFAOYSA-N 2 2 244.342 2.345 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704655 585542119 /nfs/dbraw/zinc/54/21/19/585542119.db2.gz BSMRJUYJHVLQGB-ULCALQBOSA-N 2 2 244.329 2.102 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000768704655 585542120 /nfs/dbraw/zinc/54/21/20/585542120.db2.gz BSMRJUYJHVLQGB-ULCALQBOSA-N 2 2 244.329 2.102 20 0 BEADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccn1 ZINC000775445814 585678220 /nfs/dbraw/zinc/67/82/20/585678220.db2.gz JOOOHVQTEWUGGZ-CQSZACIVSA-N 2 2 244.342 2.265 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000775956674 585688224 /nfs/dbraw/zinc/68/82/24/585688224.db2.gz ZJVXUJNYQLIGDG-DZGCQCFKSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000775956674 585688225 /nfs/dbraw/zinc/68/82/25/585688225.db2.gz ZJVXUJNYQLIGDG-DZGCQCFKSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000783211545 585830831 /nfs/dbraw/zinc/83/08/31/585830831.db2.gz MKXCHWQIRSUJHZ-AAEUAGOBSA-N 2 2 242.326 2.155 20 0 BEADLP c1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)co1 ZINC000790638278 585967201 /nfs/dbraw/zinc/96/72/01/585967201.db2.gz XQBIRKVWDJIPCL-UHFFFAOYSA-N 2 2 231.299 2.102 20 0 BEADLP Cc1ccc(CCC[NH2+]Cc2ccon2)c[nH+]1 ZINC000793001078 586008144 /nfs/dbraw/zinc/00/81/44/586008144.db2.gz LYKQXHPIKDTXRO-UHFFFAOYSA-N 2 2 231.299 2.100 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000793185616 586013400 /nfs/dbraw/zinc/01/34/00/586013400.db2.gz KACKWROCGFKERK-NSHDSACASA-N 2 2 237.322 2.102 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000793185616 586013401 /nfs/dbraw/zinc/01/34/01/586013401.db2.gz KACKWROCGFKERK-NSHDSACASA-N 2 2 237.322 2.102 20 0 BEADLP CC(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000808733297 586485616 /nfs/dbraw/zinc/48/56/16/586485616.db2.gz PFZVRHKXVMBRGU-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000808733297 586485617 /nfs/dbraw/zinc/48/56/17/586485617.db2.gz PFZVRHKXVMBRGU-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000808733297 586485618 /nfs/dbraw/zinc/48/56/18/586485618.db2.gz PFZVRHKXVMBRGU-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000808733297 586485620 /nfs/dbraw/zinc/48/56/20/586485620.db2.gz PFZVRHKXVMBRGU-CHWSQXEVSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH2+]C1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808736546 586486149 /nfs/dbraw/zinc/48/61/49/586486149.db2.gz UEAONGJVKBVWHC-UHFFFAOYSA-N 2 2 240.391 2.064 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCOC[C@@H]1C ZINC000809579970 586508529 /nfs/dbraw/zinc/50/85/29/586508529.db2.gz IVTDVHUTGANGFR-AWEZNQCLSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCOC[C@@H]1C ZINC000809579970 586508530 /nfs/dbraw/zinc/50/85/30/586508530.db2.gz IVTDVHUTGANGFR-AWEZNQCLSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)CC1CC1 ZINC000809629341 586510056 /nfs/dbraw/zinc/51/00/56/586510056.db2.gz MSLFOFDRMXWVTF-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP CC[C@@]1([NH2+]CCCc2c[nH+]ccc2C)CCOC1 ZINC000809653317 586511175 /nfs/dbraw/zinc/51/11/75/586511175.db2.gz XZDCIUVMBWIZNC-OAHLLOKOSA-N 2 2 248.370 2.481 20 0 BEADLP FCC[NH+]1CCCC2(CCC[N@@H+](CCF)C2)C1 ZINC000810054410 586532887 /nfs/dbraw/zinc/53/28/87/586532887.db2.gz RHXRLXRCZWUQHF-UHFFFAOYSA-N 2 2 246.345 2.103 20 0 BEADLP FCC[NH+]1CCCC2(CCC[N@H+](CCF)C2)C1 ZINC000810054410 586532888 /nfs/dbraw/zinc/53/28/88/586532888.db2.gz RHXRLXRCZWUQHF-UHFFFAOYSA-N 2 2 246.345 2.103 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000816649221 586752119 /nfs/dbraw/zinc/75/21/19/586752119.db2.gz VYKYJKRIDQJMCD-GHMZBOCLSA-N 2 2 215.300 2.175 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000816649221 586752121 /nfs/dbraw/zinc/75/21/21/586752121.db2.gz VYKYJKRIDQJMCD-GHMZBOCLSA-N 2 2 215.300 2.175 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000816649461 586752577 /nfs/dbraw/zinc/75/25/77/586752577.db2.gz ZQGZXBAOLMMBSB-VHSXEESVSA-N 2 2 239.388 2.045 20 0 BEADLP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000816649461 586752578 /nfs/dbraw/zinc/75/25/78/586752578.db2.gz ZQGZXBAOLMMBSB-VHSXEESVSA-N 2 2 239.388 2.045 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817897921 586835364 /nfs/dbraw/zinc/83/53/64/586835364.db2.gz XUQORFGRVSGODJ-RISCZKNCSA-N 2 2 236.334 2.222 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000817941255 586844959 /nfs/dbraw/zinc/84/49/59/586844959.db2.gz OUKSNFDNAAIFLT-KOLCDFICSA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000817941257 586845412 /nfs/dbraw/zinc/84/54/12/586845412.db2.gz OUKSNFDNAAIFLT-ONGXEEELSA-N 2 2 239.750 2.138 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817940534 586845573 /nfs/dbraw/zinc/84/55/73/586845573.db2.gz IQBNKIOUBUEHFQ-HIFRSBDPSA-N 2 2 230.355 2.324 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000817941821 586845592 /nfs/dbraw/zinc/84/55/92/586845592.db2.gz SGOQBIHRTKZUPD-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP CC[NH2+]CCC[NH2+][C@H](C)c1cccnc1Cl ZINC000817943972 586846022 /nfs/dbraw/zinc/84/60/22/586846022.db2.gz UEBFDLMDGOPPBC-SNVBAGLBSA-N 2 2 241.766 2.385 20 0 BEADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000817944719 586846206 /nfs/dbraw/zinc/84/62/06/586846206.db2.gz KIBGZJOCSPALIH-CHWSQXEVSA-N 2 2 248.370 2.325 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000817951634 586848006 /nfs/dbraw/zinc/84/80/06/586848006.db2.gz IHNCJGNXVCMEOH-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)CSC(C)(C)C ZINC000817952882 586848753 /nfs/dbraw/zinc/84/87/53/586848753.db2.gz WETFEVGTBKBYPU-SNVBAGLBSA-N 2 2 218.410 2.106 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000817952917 586849478 /nfs/dbraw/zinc/84/94/78/586849478.db2.gz IUSKPUVCOOVXJO-OAHLLOKOSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccnc(Cl)c1 ZINC000817954505 586849973 /nfs/dbraw/zinc/84/99/73/586849973.db2.gz YFVSCEWSQWUHPX-VIFPVBQESA-N 2 2 239.750 2.138 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccnc1Cl ZINC000817961031 586851230 /nfs/dbraw/zinc/85/12/30/586851230.db2.gz SZIJPUUMHPTOGT-KWQFWETISA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000817970204 586857361 /nfs/dbraw/zinc/85/73/61/586857361.db2.gz OETNOJDGBXTCJB-YUMQZZPRSA-N 2 2 230.714 2.477 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000817970641 586857735 /nfs/dbraw/zinc/85/77/35/586857735.db2.gz BHFDAIUVSYALFZ-KCJUWKMLSA-N 2 2 240.347 2.299 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817973267 586860476 /nfs/dbraw/zinc/86/04/76/586860476.db2.gz RYELXICWHNLTQS-ZJUUUORDSA-N 2 2 241.766 2.384 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000817977108 586860912 /nfs/dbraw/zinc/86/09/12/586860912.db2.gz BJJSUSNAPKBWBI-VGMNWLOBSA-N 2 2 227.739 2.121 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817977735 586861270 /nfs/dbraw/zinc/86/12/70/586861270.db2.gz NWGKWNAWUMLASK-CIUDSAMLSA-N 2 2 227.739 2.121 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccnc1Cl ZINC000817979254 586862063 /nfs/dbraw/zinc/86/20/63/586862063.db2.gz IZPDYBPOTFZQIL-IUCAKERBSA-N 2 2 227.739 2.123 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000823812355 587241129 /nfs/dbraw/zinc/24/11/29/587241129.db2.gz IKZTVTQABZFWDC-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc3C2)C1 ZINC000823812355 587241130 /nfs/dbraw/zinc/24/11/30/587241130.db2.gz IKZTVTQABZFWDC-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000823812354 587241216 /nfs/dbraw/zinc/24/12/16/587241216.db2.gz IKZTVTQABZFWDC-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000823812354 587241217 /nfs/dbraw/zinc/24/12/17/587241217.db2.gz IKZTVTQABZFWDC-HZPDHXFCSA-N 2 2 244.382 2.228 20 0 BEADLP CC1(C)CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000824826319 587289123 /nfs/dbraw/zinc/28/91/23/587289123.db2.gz YVPGIPLMYNCGFL-UHFFFAOYSA-N 2 2 242.326 2.252 20 0 BEADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000830554144 587558087 /nfs/dbraw/zinc/55/80/87/587558087.db2.gz PBLPARRPWOXNNN-UHFFFAOYSA-N 2 2 244.342 2.498 20 0 BEADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000830554144 587558089 /nfs/dbraw/zinc/55/80/89/587558089.db2.gz PBLPARRPWOXNNN-UHFFFAOYSA-N 2 2 244.342 2.498 20 0 BEADLP CCC1C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000835074084 587780196 /nfs/dbraw/zinc/78/01/96/587780196.db2.gz GYEDYGBODJYHJW-UHFFFAOYSA-N 2 2 215.300 2.176 20 0 BEADLP CC[N@H+](CC[NH2+]C(C)(C)C)CCc1ccccn1 ZINC000841007143 587934629 /nfs/dbraw/zinc/93/46/29/587934629.db2.gz BJTSQXAVFOBAHV-UHFFFAOYSA-N 2 2 249.402 2.334 20 0 BEADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CCc1ccccn1 ZINC000841007143 587934630 /nfs/dbraw/zinc/93/46/30/587934630.db2.gz BJTSQXAVFOBAHV-UHFFFAOYSA-N 2 2 249.402 2.334 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000841065305 587941440 /nfs/dbraw/zinc/94/14/40/587941440.db2.gz NPDHCNLWBXQJDK-DOMZBBRYSA-N 2 2 248.370 2.063 20 0 BEADLP COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000841078063 587945081 /nfs/dbraw/zinc/94/50/81/587945081.db2.gz FGQLVFGNMJMATN-BDAKNGLRSA-N 2 2 242.750 2.174 20 0 BEADLP CCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841079658 587945127 /nfs/dbraw/zinc/94/51/27/587945127.db2.gz OEJUYOQRVVNGAD-WOPDTQHZSA-N 2 2 216.344 2.245 20 0 BEADLP [NH3+]CCOc1ccc([NH2+]CC2CCC2)cc1 ZINC000843365554 588104175 /nfs/dbraw/zinc/10/41/75/588104175.db2.gz LPIUZTCLFUPIKV-UHFFFAOYSA-N 2 2 220.316 2.236 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000845935739 588250659 /nfs/dbraw/zinc/25/06/59/588250659.db2.gz SUHBVRNBOJCHGC-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000845935739 588250660 /nfs/dbraw/zinc/25/06/60/588250660.db2.gz SUHBVRNBOJCHGC-AWEZNQCLSA-N 2 2 218.344 2.043 20 0 BEADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccoc1 ZINC000845997155 588252812 /nfs/dbraw/zinc/25/28/12/588252812.db2.gz VTIWIWKQOVOXTG-UHFFFAOYSA-N 2 2 224.348 2.347 20 0 BEADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccoc1 ZINC000845997155 588252813 /nfs/dbraw/zinc/25/28/13/588252813.db2.gz VTIWIWKQOVOXTG-UHFFFAOYSA-N 2 2 224.348 2.347 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)CCO ZINC000846110129 588257064 /nfs/dbraw/zinc/25/70/64/588257064.db2.gz HTSJNYISNMLGLB-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)CCO ZINC000846110129 588257065 /nfs/dbraw/zinc/25/70/65/588257065.db2.gz HTSJNYISNMLGLB-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848568639 588398160 /nfs/dbraw/zinc/39/81/60/588398160.db2.gz NHSDBWACODZFDF-RFGFWPKPSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848568639 588398162 /nfs/dbraw/zinc/39/81/62/588398162.db2.gz NHSDBWACODZFDF-RFGFWPKPSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc[nH]1 ZINC000850229242 588530719 /nfs/dbraw/zinc/53/07/19/588530719.db2.gz YFHORPYUBARQNB-JTQLQIEISA-N 2 2 230.315 2.008 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000850437943 588545103 /nfs/dbraw/zinc/54/51/03/588545103.db2.gz BBODYKFNONXBLL-VXGBXAGGSA-N 2 2 248.411 2.152 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000850437943 588545104 /nfs/dbraw/zinc/54/51/04/588545104.db2.gz BBODYKFNONXBLL-VXGBXAGGSA-N 2 2 248.411 2.152 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000851752442 588623861 /nfs/dbraw/zinc/62/38/61/588623861.db2.gz BQBZVAMTVYHNFR-MGPQQGTHSA-N 2 2 249.358 2.088 20 0 BEADLP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000851752442 588623862 /nfs/dbraw/zinc/62/38/62/588623862.db2.gz BQBZVAMTVYHNFR-MGPQQGTHSA-N 2 2 249.358 2.088 20 0 BEADLP CO[C@@H]1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000851855030 588635548 /nfs/dbraw/zinc/63/55/48/588635548.db2.gz YQOOIJZICWTKTO-CHWSQXEVSA-N 2 2 249.358 2.157 20 0 BEADLP Cl/C=C(/Cl)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852067216 588658779 /nfs/dbraw/zinc/65/87/79/588658779.db2.gz WSUQGXOQQNUCEO-FPYGCLRLSA-N 2 2 232.114 2.018 20 0 BEADLP Cl/C=C(/Cl)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000852067216 588658780 /nfs/dbraw/zinc/65/87/80/588658780.db2.gz WSUQGXOQQNUCEO-FPYGCLRLSA-N 2 2 232.114 2.018 20 0 BEADLP C[N@@H+]1CC[C@]2(CC[NH+](CC=C(Cl)Cl)C2)C1 ZINC000852078608 588660274 /nfs/dbraw/zinc/66/02/74/588660274.db2.gz SALZFYRDUGGOOQ-NSHDSACASA-N 2 2 249.185 2.333 20 0 BEADLP C[N@H+]1CC[C@]2(CC[NH+](CC=C(Cl)Cl)C2)C1 ZINC000852078608 588660275 /nfs/dbraw/zinc/66/02/75/588660275.db2.gz SALZFYRDUGGOOQ-NSHDSACASA-N 2 2 249.185 2.333 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@H+](CC=C(Cl)Cl)C2)C1 ZINC000852078608 588660276 /nfs/dbraw/zinc/66/02/76/588660276.db2.gz SALZFYRDUGGOOQ-NSHDSACASA-N 2 2 249.185 2.333 20 0 BEADLP C[NH+]1CC[C@]2(CC[N@@H+](CC=C(Cl)Cl)C2)C1 ZINC000852078608 588660277 /nfs/dbraw/zinc/66/02/77/588660277.db2.gz SALZFYRDUGGOOQ-NSHDSACASA-N 2 2 249.185 2.333 20 0 BEADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC000852108321 588664222 /nfs/dbraw/zinc/66/42/22/588664222.db2.gz BMFFBPWOJCAICB-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C/C=C\Cl)C2 ZINC000852108321 588664223 /nfs/dbraw/zinc/66/42/23/588664223.db2.gz BMFFBPWOJCAICB-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC000852108321 588664224 /nfs/dbraw/zinc/66/42/24/588664224.db2.gz BMFFBPWOJCAICB-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC000852108321 588664225 /nfs/dbraw/zinc/66/42/25/588664225.db2.gz BMFFBPWOJCAICB-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC=C(Cl)Cl ZINC000852750460 588700021 /nfs/dbraw/zinc/70/00/21/588700021.db2.gz VVPSMECRJZJXSX-SSDOTTSWSA-N 2 2 225.163 2.268 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000862295649 589200735 /nfs/dbraw/zinc/20/07/35/589200735.db2.gz PRIGHKNVMCHEQE-QWRGUYRKSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC(F)(F)C1 ZINC000862295649 589200737 /nfs/dbraw/zinc/20/07/37/589200737.db2.gz PRIGHKNVMCHEQE-QWRGUYRKSA-N 2 2 246.345 2.494 20 0 BEADLP C/C=C/C[NH2+]CCCc1c[nH+]ccc1C ZINC000862529962 589217987 /nfs/dbraw/zinc/21/79/87/589217987.db2.gz IEJAFCTVLKWMSH-ONEGZZNKSA-N 2 2 204.317 2.488 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccnc(Cl)c1 ZINC000863546471 589297692 /nfs/dbraw/zinc/29/76/92/589297692.db2.gz JKUVUYXJBIUPSI-ATZCPNFKSA-N 2 2 239.750 2.136 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2c(c1)CCO2 ZINC000863547690 589298618 /nfs/dbraw/zinc/29/86/18/589298618.db2.gz VOVOMOPKIBMOCB-UHIISALHSA-N 2 2 246.354 2.023 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000863569795 589300747 /nfs/dbraw/zinc/30/07/47/589300747.db2.gz PLKXKCCCDICOQF-TVQRCGJNSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000863569795 589300748 /nfs/dbraw/zinc/30/07/48/589300748.db2.gz PLKXKCCCDICOQF-TVQRCGJNSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000863651501 589307113 /nfs/dbraw/zinc/30/71/13/589307113.db2.gz KJEXESNBASHMKF-DLRQAJBASA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000863651501 589307115 /nfs/dbraw/zinc/30/71/15/589307115.db2.gz KJEXESNBASHMKF-DLRQAJBASA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000863652056 589307760 /nfs/dbraw/zinc/30/77/60/589307760.db2.gz PIQSLNJOQJUJSQ-VIFPVBQESA-N 2 2 236.290 2.351 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000863652056 589307761 /nfs/dbraw/zinc/30/77/61/589307761.db2.gz PIQSLNJOQJUJSQ-VIFPVBQESA-N 2 2 236.290 2.351 20 0 BEADLP Cc1nc2ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc2s1 ZINC000863652895 589307835 /nfs/dbraw/zinc/30/78/35/589307835.db2.gz YDYPNQWMRKKXPA-SECBINFHSA-N 2 2 249.383 2.384 20 0 BEADLP Cc1nc2ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc2s1 ZINC000863652895 589307837 /nfs/dbraw/zinc/30/78/37/589307837.db2.gz YDYPNQWMRKKXPA-SECBINFHSA-N 2 2 249.383 2.384 20 0 BEADLP Cc1[nH]cc(-c2ccc(C[NH+](C)C)cc2)[nH+]1 ZINC000863692571 589310016 /nfs/dbraw/zinc/31/00/16/589310016.db2.gz XFUIRIMWTJEJKV-UHFFFAOYSA-N 2 2 215.300 2.447 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000864097499 589344726 /nfs/dbraw/zinc/34/47/26/589344726.db2.gz XNPYDDSCDPODOB-JSGCOSHPSA-N 2 2 248.370 2.186 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000864097499 589344728 /nfs/dbraw/zinc/34/47/28/589344728.db2.gz XNPYDDSCDPODOB-JSGCOSHPSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2CCC2)C[N@@H+]1C1CC1 ZINC000120500760 589422483 /nfs/dbraw/zinc/42/24/83/589422483.db2.gz WAEFNYQRFRZJFF-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC2CCC2)C[N@H+]1C1CC1 ZINC000120500760 589422485 /nfs/dbraw/zinc/42/24/85/589422485.db2.gz WAEFNYQRFRZJFF-AAEUAGOBSA-N 2 2 222.376 2.391 20 0 BEADLP CCc1[nH+]c(C)cn1Cc1cc[nH+]c(N(C)C)c1 ZINC000865393234 589431025 /nfs/dbraw/zinc/43/10/25/589431025.db2.gz NMNACJLQGOOOIR-UHFFFAOYSA-N 2 2 244.342 2.263 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721837 589458293 /nfs/dbraw/zinc/45/82/93/589458293.db2.gz HTIVJPOSGXLLGB-TZMCWYRMSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721837 589458294 /nfs/dbraw/zinc/45/82/94/589458294.db2.gz HTIVJPOSGXLLGB-TZMCWYRMSA-N 2 2 236.403 2.497 20 0 BEADLP COC(C)(C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865754795 589461054 /nfs/dbraw/zinc/46/10/54/589461054.db2.gz LDYDNXKTHVUSPA-UHFFFAOYSA-N 2 2 247.342 2.239 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866253025 589482986 /nfs/dbraw/zinc/48/29/86/589482986.db2.gz CHGQZNLOHBQTSU-CQSZACIVSA-N 2 2 249.402 2.333 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1cccnc1 ZINC000866253025 589482987 /nfs/dbraw/zinc/48/29/87/589482987.db2.gz CHGQZNLOHBQTSU-CQSZACIVSA-N 2 2 249.402 2.333 20 0 BEADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)c1 ZINC000866259377 589483520 /nfs/dbraw/zinc/48/35/20/589483520.db2.gz LYHNUSYAVRLDJT-ZIAGYGMSSA-N 2 2 234.387 2.466 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659303 589508253 /nfs/dbraw/zinc/50/82/53/589508253.db2.gz JSMCCJHEQQTPKO-CMPLNLGQSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659303 589508254 /nfs/dbraw/zinc/50/82/54/589508254.db2.gz JSMCCJHEQQTPKO-CMPLNLGQSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659307 589508277 /nfs/dbraw/zinc/50/82/77/589508277.db2.gz JSMCCJHEQQTPKO-PWSUYJOCSA-N 2 2 249.358 2.111 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000866659307 589508278 /nfs/dbraw/zinc/50/82/78/589508278.db2.gz JSMCCJHEQQTPKO-PWSUYJOCSA-N 2 2 249.358 2.111 20 0 BEADLP Cc1ccc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866722927 589515020 /nfs/dbraw/zinc/51/50/20/589515020.db2.gz CUBVTZOSUBTKKF-CVEARBPZSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866722927 589515021 /nfs/dbraw/zinc/51/50/21/589515021.db2.gz CUBVTZOSUBTKKF-CVEARBPZSA-N 2 2 244.382 2.364 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724251 589515725 /nfs/dbraw/zinc/51/57/25/589515725.db2.gz MBQXGFORWAKRCB-WOPDTQHZSA-N 2 2 246.345 2.494 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866724251 589515726 /nfs/dbraw/zinc/51/57/26/589515726.db2.gz MBQXGFORWAKRCB-WOPDTQHZSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(O)c1F ZINC000872016103 589856302 /nfs/dbraw/zinc/85/63/02/589856302.db2.gz DRBQJYHVBADEOC-SNVBAGLBSA-N 2 2 240.322 2.134 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(O)ccc1F ZINC000872016699 589856416 /nfs/dbraw/zinc/85/64/16/589856416.db2.gz NGIKGQHJPGSOBQ-SNVBAGLBSA-N 2 2 240.322 2.134 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872070930 589864328 /nfs/dbraw/zinc/86/43/28/589864328.db2.gz JEZSRMBQAZGIJZ-RWMBFGLXSA-N 2 2 242.407 2.120 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cc(C(F)(F)F)co1 ZINC000872141293 589881632 /nfs/dbraw/zinc/88/16/32/589881632.db2.gz CJNIVVXSDRYPJW-UHFFFAOYSA-N 2 2 236.237 2.079 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cc(C(F)(F)F)co1 ZINC000872141293 589881635 /nfs/dbraw/zinc/88/16/35/589881635.db2.gz CJNIVVXSDRYPJW-UHFFFAOYSA-N 2 2 236.237 2.079 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872141450 589882262 /nfs/dbraw/zinc/88/22/62/589882262.db2.gz GRLZMVJBIWGAGV-MRVPVSSYSA-N 2 2 248.248 2.079 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872141450 589882264 /nfs/dbraw/zinc/88/22/64/589882264.db2.gz GRLZMVJBIWGAGV-MRVPVSSYSA-N 2 2 248.248 2.079 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1scnc1Cl)C1CC1 ZINC000872141843 589882500 /nfs/dbraw/zinc/88/25/00/589882500.db2.gz VVJCRNFPHTXVJA-JTQLQIEISA-N 2 2 245.779 2.014 20 0 BEADLP CC(C)Cc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC000872783021 589970090 /nfs/dbraw/zinc/97/00/90/589970090.db2.gz IKJPTRZPOSBBKE-HAQNSBGRSA-N 2 2 248.374 2.357 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+](C)C ZINC000873131363 589985791 /nfs/dbraw/zinc/98/57/91/589985791.db2.gz OAIMCMARYMLPOK-XQQFMLRXSA-N 2 2 242.407 2.120 20 0 BEADLP c1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228446 590000765 /nfs/dbraw/zinc/00/07/65/590000765.db2.gz DZESDFDQVULTTN-KGLIPLIRSA-N 2 2 216.328 2.061 20 0 BEADLP COc1ccccc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230394 590001749 /nfs/dbraw/zinc/00/17/49/590001749.db2.gz QSBOKPUFQGSUFF-HUUCEWRRSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230681 590003175 /nfs/dbraw/zinc/00/31/75/590003175.db2.gz WDLUKKGTOHUXHO-CABCVRRESA-N 2 2 230.355 2.369 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873293516 590023703 /nfs/dbraw/zinc/02/37/03/590023703.db2.gz LPODQHZUSLGNHL-WBMJQRKESA-N 2 2 244.382 2.479 20 0 BEADLP CCOC1CC([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000124780128 590084816 /nfs/dbraw/zinc/08/48/16/590084816.db2.gz CIHLFMQWCVWIGU-IYXRBSQSSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)C[C@@H](C[NH2+]C1CCCC1)[NH+](C)C ZINC000020201138 590085469 /nfs/dbraw/zinc/08/54/69/590085469.db2.gz BQIPPTVNAAEMID-ZDUSSCGKSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877153425 590292607 /nfs/dbraw/zinc/29/26/07/590292607.db2.gz HZCGXCNMEVGRRE-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877153425 590292608 /nfs/dbraw/zinc/29/26/08/590292608.db2.gz HZCGXCNMEVGRRE-APIJFGDWSA-N 2 2 236.403 2.497 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744388 590410900 /nfs/dbraw/zinc/41/09/00/590410900.db2.gz SIKXXHQRJZEDSX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744388 590410903 /nfs/dbraw/zinc/41/09/03/590410903.db2.gz SIKXXHQRJZEDSX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744388 590410905 /nfs/dbraw/zinc/41/09/05/590410905.db2.gz SIKXXHQRJZEDSX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744388 590410906 /nfs/dbraw/zinc/41/09/06/590410906.db2.gz SIKXXHQRJZEDSX-CHWSQXEVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743763 590410972 /nfs/dbraw/zinc/41/09/72/590410972.db2.gz YFAMJOPHEOLXNX-UONOGXRCSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743763 590410975 /nfs/dbraw/zinc/41/09/75/590410975.db2.gz YFAMJOPHEOLXNX-UONOGXRCSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743763 590410977 /nfs/dbraw/zinc/41/09/77/590410977.db2.gz YFAMJOPHEOLXNX-UONOGXRCSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743763 590410979 /nfs/dbraw/zinc/41/09/79/590410979.db2.gz YFAMJOPHEOLXNX-UONOGXRCSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744993 590412780 /nfs/dbraw/zinc/41/27/80/590412780.db2.gz YWORJTGJFNIIPO-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744993 590412781 /nfs/dbraw/zinc/41/27/81/590412781.db2.gz YWORJTGJFNIIPO-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744993 590412782 /nfs/dbraw/zinc/41/27/82/590412782.db2.gz YWORJTGJFNIIPO-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000877744993 590412783 /nfs/dbraw/zinc/41/27/83/590412783.db2.gz YWORJTGJFNIIPO-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000126738398 590429154 /nfs/dbraw/zinc/42/91/54/590429154.db2.gz GNIQVUFOJNSFLF-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000126738398 590429156 /nfs/dbraw/zinc/42/91/56/590429156.db2.gz GNIQVUFOJNSFLF-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1conc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172792 590515493 /nfs/dbraw/zinc/51/54/93/590515493.db2.gz MGKAPNKILOUSGZ-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP c1cn(CCC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c[nH+]1 ZINC000879529728 590791907 /nfs/dbraw/zinc/79/19/07/590791907.db2.gz DMBGRZQLKRCWDX-OKILXGFUSA-N 2 2 231.343 2.171 20 0 BEADLP c1cn(CCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c[nH+]1 ZINC000879529728 590791912 /nfs/dbraw/zinc/79/19/12/590791912.db2.gz DMBGRZQLKRCWDX-OKILXGFUSA-N 2 2 231.343 2.171 20 0 BEADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134607 590936399 /nfs/dbraw/zinc/93/63/99/590936399.db2.gz NSBIKKJIAFIBRF-YNEHKIRRSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134607 590936402 /nfs/dbraw/zinc/93/64/02/590936402.db2.gz NSBIKKJIAFIBRF-YNEHKIRRSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880134607 590936404 /nfs/dbraw/zinc/93/64/04/590936404.db2.gz NSBIKKJIAFIBRF-YNEHKIRRSA-N 2 2 210.365 2.201 20 0 BEADLP CC[C@H](C)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880134607 590936406 /nfs/dbraw/zinc/93/64/06/590936406.db2.gz NSBIKKJIAFIBRF-YNEHKIRRSA-N 2 2 210.365 2.201 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142367 590942286 /nfs/dbraw/zinc/94/22/86/590942286.db2.gz NMYVZOYFINZKND-XLWJZTARSA-N 2 2 234.387 2.201 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142367 590942290 /nfs/dbraw/zinc/94/22/90/590942290.db2.gz NMYVZOYFINZKND-XLWJZTARSA-N 2 2 234.387 2.201 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142367 590942292 /nfs/dbraw/zinc/94/22/92/590942292.db2.gz NMYVZOYFINZKND-XLWJZTARSA-N 2 2 234.387 2.201 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000880142367 590942296 /nfs/dbraw/zinc/94/22/96/590942296.db2.gz NMYVZOYFINZKND-XLWJZTARSA-N 2 2 234.387 2.201 20 0 BEADLP CCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209433 590958811 /nfs/dbraw/zinc/95/88/11/590958811.db2.gz TXZAWKYRUWHGMM-AWEZNQCLSA-N 2 2 240.391 2.020 20 0 BEADLP CCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209433 590958817 /nfs/dbraw/zinc/95/88/17/590958817.db2.gz TXZAWKYRUWHGMM-AWEZNQCLSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H](C)[N@H+](C)CCNc1nc[nH+]c(C)c1C ZINC000881909437 591277872 /nfs/dbraw/zinc/27/78/72/591277872.db2.gz YPRURAQUGRMEKR-JTQLQIEISA-N 2 2 236.363 2.236 20 0 BEADLP CC[C@H](C)[N@@H+](C)CCNc1nc[nH+]c(C)c1C ZINC000881909437 591277875 /nfs/dbraw/zinc/27/78/75/591277875.db2.gz YPRURAQUGRMEKR-JTQLQIEISA-N 2 2 236.363 2.236 20 0 BEADLP Cc1[nH+]ccn1CCCNc1nc[nH+]c(C)c1C ZINC000882013551 591287939 /nfs/dbraw/zinc/28/79/39/591287939.db2.gz NPAGDWFAIVMNCA-UHFFFAOYSA-N 2 2 245.330 2.101 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130099430 591436966 /nfs/dbraw/zinc/43/69/66/591436966.db2.gz LHOUCIMCKMNJEE-RYUDHWBXSA-N 2 2 200.370 2.495 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)C2 ZINC000883122292 591543863 /nfs/dbraw/zinc/54/38/63/591543863.db2.gz HFDVGDVLORIOAS-XQHKEYJVSA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1C[C@@H]3CC[C@@H](C3)C1)CC2 ZINC000883122292 591543865 /nfs/dbraw/zinc/54/38/65/591543865.db2.gz HFDVGDVLORIOAS-XQHKEYJVSA-N 2 2 245.370 2.435 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246760 591588372 /nfs/dbraw/zinc/58/83/72/591588372.db2.gz PXDNDUIOXOAXFH-MBNYWOFBSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246760 591588369 /nfs/dbraw/zinc/58/83/69/591588369.db2.gz PXDNDUIOXOAXFH-MBNYWOFBSA-N 2 2 220.360 2.025 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000883251343 591592550 /nfs/dbraw/zinc/59/25/50/591592550.db2.gz LJFOIYHORBJQHM-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000883251343 591592554 /nfs/dbraw/zinc/59/25/54/591592554.db2.gz LJFOIYHORBJQHM-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000883355835 591626160 /nfs/dbraw/zinc/62/61/60/591626160.db2.gz YTBDGJJNFMCOID-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000883355835 591626162 /nfs/dbraw/zinc/62/61/62/591626162.db2.gz YTBDGJJNFMCOID-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000883355315 591626265 /nfs/dbraw/zinc/62/62/65/591626265.db2.gz OEQGGBSREGOLJZ-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000883355315 591626268 /nfs/dbraw/zinc/62/62/68/591626268.db2.gz OEQGGBSREGOLJZ-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]CC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000883460896 591674667 /nfs/dbraw/zinc/67/46/67/591674667.db2.gz JNCXTWIITILNOO-ZDUSSCGKSA-N 2 2 236.384 2.125 20 0 BEADLP [NH3+]CC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000883460896 591674669 /nfs/dbraw/zinc/67/46/69/591674669.db2.gz JNCXTWIITILNOO-ZDUSSCGKSA-N 2 2 236.384 2.125 20 0 BEADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccnc2)c2ccccc21 ZINC000131938433 591677637 /nfs/dbraw/zinc/67/76/37/591677637.db2.gz XPDVXBBWQJJCQG-LSDHHAIUSA-N 2 2 239.322 2.316 20 0 BEADLP C[C@H]1SCC[N@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000132478565 591712331 /nfs/dbraw/zinc/71/23/31/591712331.db2.gz LSOHAWWUMOXVSE-WDEREUQCSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@H]1SCC[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1C ZINC000132478565 591712335 /nfs/dbraw/zinc/71/23/35/591712335.db2.gz LSOHAWWUMOXVSE-WDEREUQCSA-N 2 2 230.421 2.200 20 0 BEADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000132477952 591712541 /nfs/dbraw/zinc/71/25/41/591712541.db2.gz LSOHAWWUMOXVSE-MNOVXSKESA-N 2 2 230.421 2.200 20 0 BEADLP C[C@@H]1[C@H](C)SCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000132477952 591712544 /nfs/dbraw/zinc/71/25/44/591712544.db2.gz LSOHAWWUMOXVSE-MNOVXSKESA-N 2 2 230.421 2.200 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000133592912 591831139 /nfs/dbraw/zinc/83/11/39/591831139.db2.gz AQPGMTOTHHIPRU-NXEZZACHSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)n1 ZINC000133592912 591831140 /nfs/dbraw/zinc/83/11/40/591831140.db2.gz AQPGMTOTHHIPRU-NXEZZACHSA-N 2 2 239.750 2.047 20 0 BEADLP CC1(C)CC[NH2+]CC[N@@H+]1CCc1ccccc1 ZINC000222918305 592507941 /nfs/dbraw/zinc/50/79/41/592507941.db2.gz IFDQQCAPIZCQPX-UHFFFAOYSA-N 2 2 232.371 2.303 20 0 BEADLP CC1(C)CC[NH2+]CC[N@H+]1CCc1ccccc1 ZINC000222918305 592507944 /nfs/dbraw/zinc/50/79/44/592507944.db2.gz IFDQQCAPIZCQPX-UHFFFAOYSA-N 2 2 232.371 2.303 20 0 BEADLP CSC(C)(C)C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC001258314629 991239074 /nfs/dbraw/zinc/23/90/74/991239074.db2.gz HPVSDWNGPAQGPK-GHMZBOCLSA-N 2 2 232.437 2.446 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])cc1C ZINC000258756967 635195844 /nfs/dbraw/zinc/19/58/44/635195844.db2.gz MRSVELZBLBZNEG-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C[C@H](C)[NH3+])cc1C ZINC000258756967 635195846 /nfs/dbraw/zinc/19/58/46/635195846.db2.gz MRSVELZBLBZNEG-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)s1 ZINC000090400654 631290475 /nfs/dbraw/zinc/29/04/75/631290475.db2.gz CMYZUQIXHGQVCA-SECBINFHSA-N 2 2 239.388 2.196 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\Cl)CC[N@@H+]1C ZINC000255341196 631302710 /nfs/dbraw/zinc/30/27/10/631302710.db2.gz MPBGZMLXLDAIIC-DPIUTZRQSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)C/C=C\Cl)CC[N@H+]1C ZINC000255341196 631302714 /nfs/dbraw/zinc/30/27/14/631302714.db2.gz MPBGZMLXLDAIIC-DPIUTZRQSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C\Cl)CC[NH+]1C ZINC000255341196 631302718 /nfs/dbraw/zinc/30/27/18/631302718.db2.gz MPBGZMLXLDAIIC-DPIUTZRQSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\Cl)CC[NH+]1C ZINC000255341196 631302722 /nfs/dbraw/zinc/30/27/22/631302722.db2.gz MPBGZMLXLDAIIC-DPIUTZRQSA-N 2 2 216.756 2.153 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCSC(C)(C)C ZINC000308629444 631345185 /nfs/dbraw/zinc/34/51/85/631345185.db2.gz BMLZWPBSTWSHMU-UHFFFAOYSA-N 2 2 232.437 2.448 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCc1cccs1 ZINC000308632529 631346934 /nfs/dbraw/zinc/34/69/34/631346934.db2.gz QMEGBSJCAAZNDR-UHFFFAOYSA-N 2 2 226.389 2.220 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000308833396 631680907 /nfs/dbraw/zinc/68/09/07/631680907.db2.gz HBQIFOLNRKSPNH-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000308833396 631680915 /nfs/dbraw/zinc/68/09/15/631680915.db2.gz HBQIFOLNRKSPNH-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]CC1(C)CCCC1 ZINC000309011540 631797603 /nfs/dbraw/zinc/79/76/03/631797603.db2.gz PEBGVNATTUHFAG-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H](C[NH2+]C1[C@H](C)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000924968499 635815798 /nfs/dbraw/zinc/81/57/98/635815798.db2.gz ZJNIZLLXBTVSJW-IJLUTSLNSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H](C[NH2+]C1[C@H](C)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000924968499 635815800 /nfs/dbraw/zinc/81/58/00/635815800.db2.gz ZJNIZLLXBTVSJW-IJLUTSLNSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]1C ZINC000309559211 632495419 /nfs/dbraw/zinc/49/54/19/632495419.db2.gz KNCXWROZMDEORD-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]1C ZINC000309559211 632495421 /nfs/dbraw/zinc/49/54/21/632495421.db2.gz KNCXWROZMDEORD-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926580393 632589025 /nfs/dbraw/zinc/58/90/25/632589025.db2.gz QOJIVCKGOARIIN-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926580393 632589030 /nfs/dbraw/zinc/58/90/30/632589030.db2.gz QOJIVCKGOARIIN-UPJWGTAASA-N 2 2 222.376 2.391 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712638 632858321 /nfs/dbraw/zinc/85/83/21/632858321.db2.gz AAXLZVMXJMOCFK-XGUBFFRZSA-N 2 2 234.387 2.415 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926712638 632858328 /nfs/dbraw/zinc/85/83/28/632858328.db2.gz AAXLZVMXJMOCFK-XGUBFFRZSA-N 2 2 234.387 2.415 20 0 BEADLP Cc1cc(N(C)CC[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000892777084 633226427 /nfs/dbraw/zinc/22/64/27/633226427.db2.gz LZTBEJKFJXPJJV-UHFFFAOYSA-N 2 2 248.374 2.050 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/Cl)CC[N@@H+]1C ZINC000177060011 633820253 /nfs/dbraw/zinc/82/02/53/633820253.db2.gz MPBGZMLXLDAIIC-JYBZGJHDSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@H]([NH+](C)C/C=C/Cl)CC[N@H+]1C ZINC000177060011 633820257 /nfs/dbraw/zinc/82/02/57/633820257.db2.gz MPBGZMLXLDAIIC-JYBZGJHDSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@H]([N@H+](C)C/C=C/Cl)CC[NH+]1C ZINC000177060011 633820262 /nfs/dbraw/zinc/82/02/62/633820262.db2.gz MPBGZMLXLDAIIC-JYBZGJHDSA-N 2 2 216.756 2.153 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/Cl)CC[NH+]1C ZINC000177060011 633820265 /nfs/dbraw/zinc/82/02/65/633820265.db2.gz MPBGZMLXLDAIIC-JYBZGJHDSA-N 2 2 216.756 2.153 20 0 BEADLP CC1(C)[C@H]([NH2+]Cc2ccco2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925504399 633831602 /nfs/dbraw/zinc/83/16/02/633831602.db2.gz QPIYDPRRAXVEHE-FRRDWIJNSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1CC1(C)C ZINC000309446295 633920476 /nfs/dbraw/zinc/92/04/76/633920476.db2.gz LLGARKKCWYDNEZ-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1CC1(C)C ZINC000309446295 633920478 /nfs/dbraw/zinc/92/04/78/633920478.db2.gz LLGARKKCWYDNEZ-RWMBFGLXSA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000309503007 633938685 /nfs/dbraw/zinc/93/86/85/633938685.db2.gz MCRDYISPOJPTPX-RUXDESIVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000309768758 634003686 /nfs/dbraw/zinc/00/36/86/634003686.db2.gz JZBLQMJCDLVWGM-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000309768758 634003691 /nfs/dbraw/zinc/00/36/91/634003691.db2.gz JZBLQMJCDLVWGM-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](CC[NH2+][C@@H]1C[NH2+]CCOC1)CC(C)(C)C ZINC000925645142 634198024 /nfs/dbraw/zinc/19/80/24/634198024.db2.gz NYFUPNACURNKLE-QWHCGFSZSA-N 2 2 242.407 2.027 20 0 BEADLP COc1ccc(Cl)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000258788943 635203698 /nfs/dbraw/zinc/20/36/98/635203698.db2.gz JCTNFIVVCLUIFX-UHFFFAOYSA-N 2 2 242.750 2.176 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304597842 635945722 /nfs/dbraw/zinc/94/57/22/635945722.db2.gz QDGFRCIEMGHVEV-FVCCEPFGSA-N 2 2 219.332 2.050 20 0 BEADLP C[C@@H](C[NH2+]Cc1cccs1)Cn1cc[nH+]c1 ZINC000067500675 636269410 /nfs/dbraw/zinc/26/94/10/636269410.db2.gz HRAAMWTUHHUIPE-NSHDSACASA-N 2 2 235.356 2.371 20 0 BEADLP c1cn(CC[NH2+]C2CCCCCC2)c[nH+]1 ZINC000041041859 636956276 /nfs/dbraw/zinc/95/62/76/636956276.db2.gz RVUVQDHZQXFOIF-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903463970 637364025 /nfs/dbraw/zinc/36/40/25/637364025.db2.gz UYIVLWLUWHVVEG-UHFFFAOYSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000903463970 637364030 /nfs/dbraw/zinc/36/40/30/637364030.db2.gz UYIVLWLUWHVVEG-UHFFFAOYSA-N 2 2 241.338 2.091 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000903529150 637367808 /nfs/dbraw/zinc/36/78/08/637367808.db2.gz LNXUHGLSSOVXTN-HNNXBMFYSA-N 2 2 247.386 2.088 20 0 BEADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000903529150 637367813 /nfs/dbraw/zinc/36/78/13/637367813.db2.gz LNXUHGLSSOVXTN-HNNXBMFYSA-N 2 2 247.386 2.088 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000904450256 637415855 /nfs/dbraw/zinc/41/58/55/637415855.db2.gz QCMYIEWFZJNXDN-UHFFFAOYSA-N 2 2 228.698 2.060 20 0 BEADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000906508002 638179637 /nfs/dbraw/zinc/17/96/37/638179637.db2.gz GVYBISNYHQFJEK-MGCOHNPYSA-N 2 2 228.698 2.058 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000931036788 640031471 /nfs/dbraw/zinc/03/14/71/640031471.db2.gz DZPJCKRBQXSNLQ-HIFRSBDPSA-N 2 2 247.386 2.223 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCSC(C)(C)C)C[C@H]21 ZINC000931281307 640134224 /nfs/dbraw/zinc/13/42/24/640134224.db2.gz QGFBWEFFTYKQCQ-GDNZZTSVSA-N 2 2 242.432 2.010 20 0 BEADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCSC(C)(C)C)C[C@H]21 ZINC000931281307 640134228 /nfs/dbraw/zinc/13/42/28/640134228.db2.gz QGFBWEFFTYKQCQ-GDNZZTSVSA-N 2 2 242.432 2.010 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1=CCCC1 ZINC000931719278 640335273 /nfs/dbraw/zinc/33/52/73/640335273.db2.gz PWLWLNKXXJEKFF-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1=CCCC1 ZINC000931719278 640335281 /nfs/dbraw/zinc/33/52/81/640335281.db2.gz PWLWLNKXXJEKFF-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1=CCCC1 ZINC000931719278 640335287 /nfs/dbraw/zinc/33/52/87/640335287.db2.gz PWLWLNKXXJEKFF-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1=CCCC1 ZINC000931719278 640335294 /nfs/dbraw/zinc/33/52/94/640335294.db2.gz PWLWLNKXXJEKFF-UONOGXRCSA-N 2 2 220.360 2.265 20 0 BEADLP CC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000227650501 640844227 /nfs/dbraw/zinc/84/42/27/640844227.db2.gz DEPWZWNKHIFISN-CHWSQXEVSA-N 2 2 210.365 2.393 20 0 BEADLP CC[C@@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000227650501 640844228 /nfs/dbraw/zinc/84/42/28/640844228.db2.gz DEPWZWNKHIFISN-CHWSQXEVSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1ccc(C)c(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000071536599 641150162 /nfs/dbraw/zinc/15/01/62/641150162.db2.gz UZOOAQYKZNCMFX-UHFFFAOYSA-N 2 2 232.371 2.442 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CC1 ZINC000252711506 641206204 /nfs/dbraw/zinc/20/62/04/641206204.db2.gz JSKUZMRSHNHLMC-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC000252711506 641206209 /nfs/dbraw/zinc/20/62/09/641206209.db2.gz JSKUZMRSHNHLMC-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CC[NH2+][C@H](c2ccncc2)C2CC2)c[nH+]1 ZINC000934697872 641249197 /nfs/dbraw/zinc/24/91/97/641249197.db2.gz YHHOZWSDTCLGOT-AWEZNQCLSA-N 2 2 242.326 2.019 20 0 BEADLP CC[N@H+](Cc1c(C)cccc1C)[C@@H]1CC[NH2+]C1 ZINC000215532850 641688800 /nfs/dbraw/zinc/68/88/00/641688800.db2.gz XVNWQTOCDNWVDG-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+](Cc1c(C)cccc1C)[C@@H]1CC[NH2+]C1 ZINC000215532850 641688803 /nfs/dbraw/zinc/68/88/03/641688803.db2.gz XVNWQTOCDNWVDG-CQSZACIVSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000929825951 641703113 /nfs/dbraw/zinc/70/31/13/641703113.db2.gz NJWNTECNYFITSL-TZMCWYRMSA-N 2 2 249.358 2.027 20 0 BEADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(C)[nH+]1 ZINC000929825951 641703120 /nfs/dbraw/zinc/70/31/20/641703120.db2.gz NJWNTECNYFITSL-TZMCWYRMSA-N 2 2 249.358 2.027 20 0 BEADLP CCCc1[nH+]ccn1Cc1[nH+]c(C)[nH]c1C ZINC000917321936 642043515 /nfs/dbraw/zinc/04/35/15/642043515.db2.gz VZKQXSCQPSPABV-UHFFFAOYSA-N 2 2 218.304 2.224 20 0 BEADLP CC1(C[NH2+]C[C@H]([NH3+])c2ccccc2)CCC1 ZINC000232900527 642218296 /nfs/dbraw/zinc/21/82/96/642218296.db2.gz HFKMUTHDNCLBMF-ZDUSSCGKSA-N 2 2 218.344 2.466 20 0 BEADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255302707 642460809 /nfs/dbraw/zinc/46/08/09/642460809.db2.gz FBKJTFZLKWFPJU-RNZFLTOJSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC000255302707 642460820 /nfs/dbraw/zinc/46/08/20/642460820.db2.gz FBKJTFZLKWFPJU-RNZFLTOJSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000255302707 642460825 /nfs/dbraw/zinc/46/08/25/642460825.db2.gz FBKJTFZLKWFPJU-RNZFLTOJSA-N 2 2 230.783 2.403 20 0 BEADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000255302707 642460828 /nfs/dbraw/zinc/46/08/28/642460828.db2.gz FBKJTFZLKWFPJU-RNZFLTOJSA-N 2 2 230.783 2.403 20 0 BEADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nccs1 ZINC000070733497 643067404 /nfs/dbraw/zinc/06/74/04/643067404.db2.gz VRSMBBULRVIEKV-ZYHUDNBSSA-N 2 2 239.388 2.183 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccoc2)CC[N@@H+]1C ZINC000093644820 643338324 /nfs/dbraw/zinc/33/83/24/643338324.db2.gz HPWGCJQESPUINC-WCQYABFASA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([NH+](C)Cc2ccoc2)CC[N@H+]1C ZINC000093644820 643338329 /nfs/dbraw/zinc/33/83/29/643338329.db2.gz HPWGCJQESPUINC-WCQYABFASA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644820 643338332 /nfs/dbraw/zinc/33/83/32/643338332.db2.gz HPWGCJQESPUINC-WCQYABFASA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644820 643338334 /nfs/dbraw/zinc/33/83/34/643338334.db2.gz HPWGCJQESPUINC-WCQYABFASA-N 2 2 222.332 2.194 20 0 BEADLP CC1(C[NH2+]CCCn2cc[nH+]c2)CCCC1 ZINC000082625376 643355542 /nfs/dbraw/zinc/35/55/42/643355542.db2.gz SIWLYAFEEWKOFF-UHFFFAOYSA-N 2 2 221.348 2.443 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000165970396 643450201 /nfs/dbraw/zinc/45/02/01/643450201.db2.gz QIHHGAMNGJNSQU-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000165970396 643450206 /nfs/dbraw/zinc/45/02/06/643450206.db2.gz QIHHGAMNGJNSQU-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000050227819 643652505 /nfs/dbraw/zinc/65/25/05/643652505.db2.gz OZXZTFUYKLGUSR-ZDUSSCGKSA-N 2 2 218.344 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000050227819 643652510 /nfs/dbraw/zinc/65/25/10/643652510.db2.gz OZXZTFUYKLGUSR-ZDUSSCGKSA-N 2 2 218.344 2.145 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000050245101 643655881 /nfs/dbraw/zinc/65/58/81/643655881.db2.gz WKDNACKVQKVFCR-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000050245101 643655888 /nfs/dbraw/zinc/65/58/88/643655888.db2.gz WKDNACKVQKVFCR-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP C[N@H+](Cc1cnc(Cl)s1)CC(C)(C)C[NH3+] ZINC000086778012 644178886 /nfs/dbraw/zinc/17/88/86/644178886.db2.gz ROLUKRFDWZNCSK-UHFFFAOYSA-N 2 2 247.795 2.213 20 0 BEADLP C[N@@H+](Cc1cnc(Cl)s1)CC(C)(C)C[NH3+] ZINC000086778012 644178890 /nfs/dbraw/zinc/17/88/90/644178890.db2.gz ROLUKRFDWZNCSK-UHFFFAOYSA-N 2 2 247.795 2.213 20 0 BEADLP CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295619 644332503 /nfs/dbraw/zinc/33/25/03/644332503.db2.gz ZJMVKSKAXFIAMW-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295619 644332505 /nfs/dbraw/zinc/33/25/05/644332505.db2.gz ZJMVKSKAXFIAMW-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000923295618 644333282 /nfs/dbraw/zinc/33/32/82/644333282.db2.gz ZJMVKSKAXFIAMW-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000923295618 644333285 /nfs/dbraw/zinc/33/32/85/644333285.db2.gz ZJMVKSKAXFIAMW-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2CCC[NH2+]C2CC2)on1 ZINC000923307422 644338412 /nfs/dbraw/zinc/33/84/12/644338412.db2.gz WAPXTKBKIMIAFH-ZDUSSCGKSA-N 2 2 249.358 2.262 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2CCC[NH2+]C2CC2)on1 ZINC000923307422 644338420 /nfs/dbraw/zinc/33/84/20/644338420.db2.gz WAPXTKBKIMIAFH-ZDUSSCGKSA-N 2 2 249.358 2.262 20 0 BEADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000749130874 644590215 /nfs/dbraw/zinc/59/02/15/644590215.db2.gz DOOQGHDLUNLKEE-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])c2ccccc2n1 ZINC000092365275 644655494 /nfs/dbraw/zinc/65/54/94/644655494.db2.gz PWUKBTUNEQZCGN-LLVKDONJSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@@H](C)[NH3+])c2ccccc2n1 ZINC000092365275 644655495 /nfs/dbraw/zinc/65/54/95/644655495.db2.gz PWUKBTUNEQZCGN-LLVKDONJSA-N 2 2 243.354 2.322 20 0 BEADLP CCn1c[nH+]cc1CNc1[nH+]ccn1C1CC1 ZINC000841505073 645217308 /nfs/dbraw/zinc/21/73/08/645217308.db2.gz UOMXMBUTGVVJLM-UHFFFAOYSA-N 2 2 231.303 2.047 20 0 BEADLP C1CC12C[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926612630 645313813 /nfs/dbraw/zinc/31/38/13/645313813.db2.gz CCALEYHPWMNVGE-XQQFMLRXSA-N 2 2 220.360 2.145 20 0 BEADLP C1CC12C[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926612630 645313816 /nfs/dbraw/zinc/31/38/16/645313816.db2.gz CCALEYHPWMNVGE-XQQFMLRXSA-N 2 2 220.360 2.145 20 0 BEADLP CCOCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925489502 645532281 /nfs/dbraw/zinc/53/22/81/645532281.db2.gz PXJREHQHFOWPQF-JSGCOSHPSA-N 2 2 236.359 2.091 20 0 BEADLP CC(C)c1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)on1 ZINC000925498620 645932428 /nfs/dbraw/zinc/93/24/28/645932428.db2.gz HKTOEIPHMGXPPE-QWHCGFSZSA-N 2 2 249.358 2.158 20 0 BEADLP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)c1ccccc1 ZINC000925496215 645935390 /nfs/dbraw/zinc/93/53/90/645935390.db2.gz TYKKUYMDAWQDFT-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP CO[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925496717 645942257 /nfs/dbraw/zinc/94/22/57/645942257.db2.gz VLVNWYILJRBUBF-NWANDNLSSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000924540419 646059763 /nfs/dbraw/zinc/05/97/63/646059763.db2.gz IFVJIZNLDBDZGD-GXTWGEPZSA-N 2 2 244.423 2.246 20 0 BEADLP c1coc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924555446 646068157 /nfs/dbraw/zinc/06/81/57/646068157.db2.gz NMPNDMCUJDUBPO-LSDHHAIUSA-N 2 2 248.370 2.429 20 0 BEADLP c1coc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924555446 646068170 /nfs/dbraw/zinc/06/81/70/646068170.db2.gz NMPNDMCUJDUBPO-LSDHHAIUSA-N 2 2 248.370 2.429 20 0 BEADLP c1coc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924555441 646068570 /nfs/dbraw/zinc/06/85/70/646068570.db2.gz NMPNDMCUJDUBPO-HUUCEWRRSA-N 2 2 248.370 2.429 20 0 BEADLP c1coc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924555441 646068576 /nfs/dbraw/zinc/06/85/76/646068576.db2.gz NMPNDMCUJDUBPO-HUUCEWRRSA-N 2 2 248.370 2.429 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccns1 ZINC000924647021 646083446 /nfs/dbraw/zinc/08/34/46/646083446.db2.gz CJIIHXRSERLWCH-NXEZZACHSA-N 2 2 236.344 2.079 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000929486939 646141991 /nfs/dbraw/zinc/14/19/91/646141991.db2.gz ICQHCBQJTNAVKZ-OAHLLOKOSA-N 2 2 247.386 2.224 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCOC12CCCCC2)[NH+](C)C ZINC000924959825 646144197 /nfs/dbraw/zinc/14/41/97/646144197.db2.gz XBDUWIZTERHZBM-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CSCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925504801 646306532 /nfs/dbraw/zinc/30/65/32/646306532.db2.gz OXRKVYKZFQIAPU-AAEUAGOBSA-N 2 2 238.400 2.418 20 0 BEADLP CSCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925504805 646306651 /nfs/dbraw/zinc/30/66/51/646306651.db2.gz OXRKVYKZFQIAPU-WCQYABFASA-N 2 2 238.400 2.418 20 0 BEADLP COC/C(C)=C\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803260 646326511 /nfs/dbraw/zinc/32/65/11/646326511.db2.gz FTQNZRWHCPIFDU-BASWHVEKSA-N 2 2 249.358 2.182 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000925619536 646367863 /nfs/dbraw/zinc/36/78/63/646367863.db2.gz OSBXHYBSAXXGRJ-CMPLNLGQSA-N 2 2 210.296 2.024 20 0 BEADLP COC/C(C)=C/C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992156 646388400 /nfs/dbraw/zinc/38/84/00/646388400.db2.gz NARURACTYHWVSZ-YFTXEMMHSA-N 2 2 249.358 2.182 20 0 BEADLP COC/C(C)=C/C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992156 646388409 /nfs/dbraw/zinc/38/84/09/646388409.db2.gz NARURACTYHWVSZ-YFTXEMMHSA-N 2 2 249.358 2.182 20 0 BEADLP CO[C@H](C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+])C1CC1 ZINC000925675287 646404347 /nfs/dbraw/zinc/40/43/47/646404347.db2.gz NCRNFXQQYZONIP-NILFDRSVSA-N 2 2 248.370 2.090 20 0 BEADLP CC[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])OC ZINC000925676528 646405745 /nfs/dbraw/zinc/40/57/45/646405745.db2.gz NLHPIABCYJYLBS-MRVWCRGKSA-N 2 2 236.359 2.090 20 0 BEADLP CCC1(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])COC1 ZINC000925684511 646410332 /nfs/dbraw/zinc/41/03/32/646410332.db2.gz AWTLTKVHXPATNB-JSGCOSHPSA-N 2 2 248.370 2.091 20 0 BEADLP CCC1(C[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])COC1 ZINC000925684510 646411675 /nfs/dbraw/zinc/41/16/75/646411675.db2.gz AWTLTKVHXPATNB-GXTWGEPZSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000925712068 646436626 /nfs/dbraw/zinc/43/66/26/646436626.db2.gz ZWTJDOGVPIHNKG-DRZSPHRISA-N 2 2 216.328 2.217 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1C=CCC1)c1ccccc1 ZINC000925713266 646439282 /nfs/dbraw/zinc/43/92/82/646439282.db2.gz TXHNAMCEPYBQPQ-FPMFFAJLSA-N 2 2 216.328 2.383 20 0 BEADLP C/C=C/C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925720545 646445704 /nfs/dbraw/zinc/44/57/04/646445704.db2.gz YUGPZQYJDSSBEJ-WTQORWENSA-N 2 2 204.317 2.241 20 0 BEADLP CCC[C@H](C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000925732756 646456663 /nfs/dbraw/zinc/45/66/63/646456663.db2.gz CUSMLGPQGRYAFC-IHRRRGAJSA-N 2 2 242.407 2.169 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783545 646478760 /nfs/dbraw/zinc/47/87/60/646478760.db2.gz DFKSXKFMYAMOAJ-GMTAPVOTSA-N 2 2 224.373 2.315 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925787142 646483653 /nfs/dbraw/zinc/48/36/53/646483653.db2.gz XINLCICBOJEJNH-TYNCELHUSA-N 2 2 248.370 2.262 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230057 646600824 /nfs/dbraw/zinc/60/08/24/646600824.db2.gz QPUMVKSPXLNJNL-UTUOFQBUSA-N 2 2 233.359 2.222 20 0 BEADLP FC1(F)CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926284171 646611368 /nfs/dbraw/zinc/61/13/68/646611368.db2.gz TXHSKZVHKBGRPK-VXGBXAGGSA-N 2 2 244.329 2.391 20 0 BEADLP FC1(F)CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926284171 646611369 /nfs/dbraw/zinc/61/13/69/646611369.db2.gz TXHSKZVHKBGRPK-VXGBXAGGSA-N 2 2 244.329 2.391 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(Cl)CC1 ZINC000926450464 646641899 /nfs/dbraw/zinc/64/18/99/646641899.db2.gz NASSAIWJTXRFFM-BDAKNGLRSA-N 2 2 239.750 2.017 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450627 646642068 /nfs/dbraw/zinc/64/20/68/646642068.db2.gz PMYBQZSFWZYOTN-MXWKQRLJSA-N 2 2 233.359 2.291 20 0 BEADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000926476289 646653858 /nfs/dbraw/zinc/65/38/58/646653858.db2.gz ZIWGEVMNPCXRFQ-NXEZZACHSA-N 2 2 239.363 2.140 20 0 BEADLP C[C@H](F)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926484807 646656813 /nfs/dbraw/zinc/65/68/13/646656813.db2.gz FDDPLPSYSVKQHB-YNEHKIRRSA-N 2 2 228.355 2.341 20 0 BEADLP C[C@H](F)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926484807 646656816 /nfs/dbraw/zinc/65/68/16/646656816.db2.gz FDDPLPSYSVKQHB-YNEHKIRRSA-N 2 2 228.355 2.341 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000054110379 711710394 /nfs/dbraw/zinc/71/03/94/711710394.db2.gz VTZXZTRFPNPZSI-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000054110379 711710396 /nfs/dbraw/zinc/71/03/96/711710396.db2.gz VTZXZTRFPNPZSI-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP COCC(C)(C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000700601149 712000360 /nfs/dbraw/zinc/00/03/60/712000360.db2.gz ZAYRXFMSQLIMGV-CYBMUJFWSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@H](C)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153325 712548113 /nfs/dbraw/zinc/54/81/13/712548113.db2.gz XEWZVTQLMOIUMH-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccns1 ZINC000716046977 712548328 /nfs/dbraw/zinc/54/83/28/712548328.db2.gz IVXKOKFAVUGJFH-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccns1 ZINC000716046977 712548329 /nfs/dbraw/zinc/54/83/29/712548329.db2.gz IVXKOKFAVUGJFH-DCAQKATOSA-N 2 2 239.388 2.276 20 0 BEADLP C[N@H+](C[C@@H]1CCC2(CCC2)CO1)CC(C)(C)[NH3+] ZINC000716333951 712554981 /nfs/dbraw/zinc/55/49/81/712554981.db2.gz JKXSXDXEAWJGMM-LBPRGKRZSA-N 2 2 240.391 2.005 20 0 BEADLP C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)CC(C)(C)[NH3+] ZINC000716333951 712554982 /nfs/dbraw/zinc/55/49/82/712554982.db2.gz JKXSXDXEAWJGMM-LBPRGKRZSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+]1CCCCC1 ZINC000380104275 712686217 /nfs/dbraw/zinc/68/62/17/712686217.db2.gz MSSUCYPEOPCIIX-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718862433 712786533 /nfs/dbraw/zinc/78/65/33/712786533.db2.gz VZCXBURXBSHRBZ-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[NH+]1CCCCC1 ZINC000038028525 712800220 /nfs/dbraw/zinc/80/02/20/712800220.db2.gz LLNYFFJOIKVFCV-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CO[C@H]1CCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000903107380 710892737 /nfs/dbraw/zinc/89/27/37/710892737.db2.gz SOIFRERPIHHPDC-STQMWFEESA-N 2 2 249.358 2.041 20 0 BEADLP CSC(C)(C)CC[NH2+]C[C@@H](C)[NH+](C)C ZINC000385252261 711009042 /nfs/dbraw/zinc/00/90/42/711009042.db2.gz SOLWBIISZUPUBR-SNVBAGLBSA-N 2 2 218.410 2.058 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000386265543 711026216 /nfs/dbraw/zinc/02/62/16/711026216.db2.gz XDVLFQAIONVFSM-NEPJUHHUSA-N 2 2 239.388 2.147 20 0 BEADLP CO[C@@H](C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250421 711056728 /nfs/dbraw/zinc/05/67/28/711056728.db2.gz KHXCSVBFQBDBRQ-KBPBESRZSA-N 2 2 248.370 2.043 20 0 BEADLP CO[C@@H](C[N@H+]1C[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000388250421 711056732 /nfs/dbraw/zinc/05/67/32/711056732.db2.gz KHXCSVBFQBDBRQ-KBPBESRZSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000388063075 711051376 /nfs/dbraw/zinc/05/13/76/711051376.db2.gz MLYBQUBSRBVBPL-CYBMUJFWSA-N 2 2 218.344 2.164 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000388063075 711051379 /nfs/dbraw/zinc/05/13/79/711051379.db2.gz MLYBQUBSRBVBPL-CYBMUJFWSA-N 2 2 218.344 2.164 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000389941453 711100162 /nfs/dbraw/zinc/10/01/62/711100162.db2.gz OSCQCEPTQFTVCM-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C ZINC000389941453 711100164 /nfs/dbraw/zinc/10/01/64/711100164.db2.gz OSCQCEPTQFTVCM-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000390279628 711111257 /nfs/dbraw/zinc/11/12/57/711111257.db2.gz UVTDKGBECBDPKN-VFNNOXKTSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000390279628 711111262 /nfs/dbraw/zinc/11/12/62/711111262.db2.gz UVTDKGBECBDPKN-VFNNOXKTSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000390279616 711111726 /nfs/dbraw/zinc/11/17/26/711111726.db2.gz UVTDKGBECBDPKN-CKXPSTMWSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000390279616 711111727 /nfs/dbraw/zinc/11/17/27/711111727.db2.gz UVTDKGBECBDPKN-CKXPSTMWSA-N 2 2 216.328 2.123 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cc(Cl)nc(Cl)c1 ZINC000381370494 710629226 /nfs/dbraw/zinc/62/92/26/710629226.db2.gz HJSAXNVSEWTIGE-UHFFFAOYSA-N 2 2 248.157 2.169 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)nc(Cl)c1 ZINC000381370494 710629230 /nfs/dbraw/zinc/62/92/30/710629230.db2.gz HJSAXNVSEWTIGE-UHFFFAOYSA-N 2 2 248.157 2.169 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396693472 711364410 /nfs/dbraw/zinc/36/44/10/711364410.db2.gz LUNHBWMRLBKOIG-HIFRSBDPSA-N 2 2 248.370 2.104 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000386189257 711496857 /nfs/dbraw/zinc/49/68/57/711496857.db2.gz BKESIJXIILLXPT-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000386189257 711496858 /nfs/dbraw/zinc/49/68/58/711496858.db2.gz BKESIJXIILLXPT-YNEHKIRRSA-N 2 2 242.432 2.344 20 0 BEADLP CCCN(Cc1cc(C)cc(C)[nH+]1)[C@H]1CC[NH2+]C1 ZINC000723846165 711539137 /nfs/dbraw/zinc/53/91/37/711539137.db2.gz OGIOPLIVZGWCPQ-HNNXBMFYSA-N 2 2 247.386 2.272 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000168414594 711633618 /nfs/dbraw/zinc/63/36/18/711633618.db2.gz MAPOZWYJRRKPES-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CO[C@H]1C[C@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCC2 ZINC000724790390 711614857 /nfs/dbraw/zinc/61/48/57/711614857.db2.gz RILZKSHQTKZVFA-STQMWFEESA-N 2 2 249.358 2.074 20 0 BEADLP CO[C@H]1C[C@@H]([NH2+]Cc2[nH]c(C)[nH+]c2C)C12CCC2 ZINC000724790388 711615220 /nfs/dbraw/zinc/61/52/20/711615220.db2.gz RILZKSHQTKZVFA-OLZOCXBDSA-N 2 2 249.358 2.074 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000168414594 711633616 /nfs/dbraw/zinc/63/36/16/711633616.db2.gz MAPOZWYJRRKPES-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)C ZINC000168417060 711633581 /nfs/dbraw/zinc/63/35/81/711633581.db2.gz MZEHLIKKBRUJBY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)C ZINC000168417060 711633582 /nfs/dbraw/zinc/63/35/82/711633582.db2.gz MZEHLIKKBRUJBY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP COCC1(C[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925711886 711711663 /nfs/dbraw/zinc/71/16/63/711711663.db2.gz FJEASUUXEVBOGM-JSGCOSHPSA-N 2 2 248.370 2.091 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000721245830 711794294 /nfs/dbraw/zinc/79/42/94/711794294.db2.gz GSVCSFJBWGRPLB-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000721245830 711794296 /nfs/dbraw/zinc/79/42/96/711794296.db2.gz GSVCSFJBWGRPLB-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccccc1OCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160028805 711805667 /nfs/dbraw/zinc/80/56/67/711805667.db2.gz JZRSRGFRBSRZBP-AWEZNQCLSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccccc1OCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160028805 711805668 /nfs/dbraw/zinc/80/56/68/711805668.db2.gz JZRSRGFRBSRZBP-AWEZNQCLSA-N 2 2 248.370 2.043 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)Oc1ccccc1 ZINC000700321059 711990056 /nfs/dbraw/zinc/99/00/56/711990056.db2.gz VUSDHCDTBHJGRY-NFAWXSAZSA-N 2 2 248.370 2.184 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCC2(CC2)CC1 ZINC000702503476 712052903 /nfs/dbraw/zinc/05/29/03/712052903.db2.gz AQYBWSNKBQVNTO-SNVBAGLBSA-N 2 2 232.318 2.235 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCC2(CC2)CC1 ZINC000702503476 712052905 /nfs/dbraw/zinc/05/29/05/712052905.db2.gz AQYBWSNKBQVNTO-SNVBAGLBSA-N 2 2 232.318 2.235 20 0 BEADLP CSC1CC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000706744467 712154020 /nfs/dbraw/zinc/15/40/20/712154020.db2.gz PPBDKIGRKIOGNQ-OTTFEQOBSA-N 2 2 244.448 2.446 20 0 BEADLP CSC1CC([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000706930275 712161958 /nfs/dbraw/zinc/16/19/58/712161958.db2.gz ZMMGLXOYCXUKRY-HIFPTAJRSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711165419 712287565 /nfs/dbraw/zinc/28/75/65/712287565.db2.gz CJRQTUDQZHVQKL-MQYQWHSLSA-N 2 2 233.359 2.440 20 0 BEADLP c1cn(CCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)c[nH+]1 ZINC000711165395 712287717 /nfs/dbraw/zinc/28/77/17/712287717.db2.gz CHBCUTYSKPGNDA-WDNDVIMCSA-N 2 2 233.359 2.442 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000390480013 712419017 /nfs/dbraw/zinc/41/90/17/712419017.db2.gz MJPNOFXPZGMTIE-NTZNESFSSA-N 2 2 242.432 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000390480013 712419018 /nfs/dbraw/zinc/41/90/18/712419018.db2.gz MJPNOFXPZGMTIE-NTZNESFSSA-N 2 2 242.432 2.200 20 0 BEADLP CC1(C)C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1[NH3+] ZINC000714351304 712483514 /nfs/dbraw/zinc/48/35/14/712483514.db2.gz YRIDXYSOIDXIMO-VXGBXAGGSA-N 2 2 240.391 2.003 20 0 BEADLP CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1[NH3+] ZINC000714351304 712483515 /nfs/dbraw/zinc/48/35/15/712483515.db2.gz YRIDXYSOIDXIMO-VXGBXAGGSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccns1 ZINC000716018949 712546711 /nfs/dbraw/zinc/54/67/11/712546711.db2.gz CWVSAJGCBKIMSI-GHMZBOCLSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccns1 ZINC000716018949 712546712 /nfs/dbraw/zinc/54/67/12/712546712.db2.gz CWVSAJGCBKIMSI-GHMZBOCLSA-N 2 2 239.388 2.278 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccns1 ZINC000716018953 712546798 /nfs/dbraw/zinc/54/67/98/712546798.db2.gz CWVSAJGCBKIMSI-MNOVXSKESA-N 2 2 239.388 2.278 20 0 BEADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccns1 ZINC000716018953 712546799 /nfs/dbraw/zinc/54/67/99/712546799.db2.gz CWVSAJGCBKIMSI-MNOVXSKESA-N 2 2 239.388 2.278 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccns1 ZINC000716046986 712548593 /nfs/dbraw/zinc/54/85/93/712548593.db2.gz IVXKOKFAVUGJFH-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccns1 ZINC000716046986 712548595 /nfs/dbraw/zinc/54/85/95/712548595.db2.gz IVXKOKFAVUGJFH-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCSC1 ZINC000037166740 712549533 /nfs/dbraw/zinc/54/95/33/712549533.db2.gz ZPRIELJPHORXIA-NEPJUHHUSA-N 2 2 230.421 2.058 20 0 BEADLP CCCC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000037220371 712553213 /nfs/dbraw/zinc/55/32/13/712553213.db2.gz KJZLOCWGRSLEJO-LLVKDONJSA-N 2 2 200.370 2.495 20 0 BEADLP C[N@H+](C[C@H]1CCC2(CCC2)CO1)CC(C)(C)[NH3+] ZINC000716333948 712555244 /nfs/dbraw/zinc/55/52/44/712555244.db2.gz JKXSXDXEAWJGMM-GFCCVEGCSA-N 2 2 240.391 2.005 20 0 BEADLP C[N@@H+](C[C@H]1CCC2(CCC2)CO1)CC(C)(C)[NH3+] ZINC000716333948 712555245 /nfs/dbraw/zinc/55/52/45/712555245.db2.gz JKXSXDXEAWJGMM-GFCCVEGCSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000380132460 712691717 /nfs/dbraw/zinc/69/17/17/712691717.db2.gz TWCGWYQCQNICHN-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000380132460 712691719 /nfs/dbraw/zinc/69/17/19/712691719.db2.gz TWCGWYQCQNICHN-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000718036104 712737535 /nfs/dbraw/zinc/73/75/35/712737535.db2.gz OMPJWSXAVFPKEK-RYUDHWBXSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000718036104 712737539 /nfs/dbraw/zinc/73/75/39/712737539.db2.gz OMPJWSXAVFPKEK-RYUDHWBXSA-N 2 2 222.332 2.160 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718862430 712786438 /nfs/dbraw/zinc/78/64/38/712786438.db2.gz VZCXBURXBSHRBZ-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000718862969 712786556 /nfs/dbraw/zinc/78/65/56/712786556.db2.gz XUAHPPDNKUNODO-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000718862969 712786557 /nfs/dbraw/zinc/78/65/57/712786557.db2.gz XUAHPPDNKUNODO-KBPBESRZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H](C[NH2+]C1CCCC1)[NH+]1CCCCC1 ZINC000038028293 712799535 /nfs/dbraw/zinc/79/95/35/712799535.db2.gz HKBDKCDBQMXSAV-LBPRGKRZSA-N 2 2 210.365 2.393 20 0 BEADLP CCc1ccccc1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720770729 712865026 /nfs/dbraw/zinc/86/50/26/712865026.db2.gz XYCVMGGMXKOHSI-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP CCc1ccccc1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720770729 712865027 /nfs/dbraw/zinc/86/50/27/712865027.db2.gz XYCVMGGMXKOHSI-AWEZNQCLSA-N 2 2 232.371 2.418 20 0 BEADLP c1ccc(CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720916131 712878441 /nfs/dbraw/zinc/87/84/41/712878441.db2.gz XZFPXNFHIFMMTO-CABCVRRESA-N 2 2 230.355 2.055 20 0 BEADLP c1ccc(CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000720916131 712878443 /nfs/dbraw/zinc/87/84/43/712878443.db2.gz XZFPXNFHIFMMTO-CABCVRRESA-N 2 2 230.355 2.055 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000695657780 960328212 /nfs/dbraw/zinc/32/82/12/960328212.db2.gz JECIBMYDABIMSG-ZJUUUORDSA-N 2 2 227.739 2.021 20 0 BEADLP Cc1c[nH+]c(NC2C[NH+](C(C)C)C2)cc1C ZINC001157530534 963643006 /nfs/dbraw/zinc/64/30/06/963643006.db2.gz ZCHLJLGVIHHEEO-UHFFFAOYSA-N 2 2 219.332 2.203 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000723876443 1166145706 /nfs/dbraw/zinc/14/57/06/1166145706.db2.gz KGDOAULSKKXWKA-CQSZACIVSA-N 2 2 233.359 2.012 20 0 BEADLP C[NH+](C)CC1(C[N@@H+]2CC[C@H](F)C2)CCCC1 ZINC001208184967 969119737 /nfs/dbraw/zinc/11/97/37/969119737.db2.gz RMRVKRXUQNYLOO-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP C[NH+](C)CC1(C[N@H+]2CC[C@H](F)C2)CCCC1 ZINC001208184967 969119746 /nfs/dbraw/zinc/11/97/46/969119746.db2.gz RMRVKRXUQNYLOO-LBPRGKRZSA-N 2 2 228.355 2.152 20 0 BEADLP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208733097 969218946 /nfs/dbraw/zinc/21/89/46/969218946.db2.gz IRXLFGKVBNVDIM-OQOSRZTISA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208733097 969218954 /nfs/dbraw/zinc/21/89/54/969218954.db2.gz IRXLFGKVBNVDIM-OQOSRZTISA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208733097 969218966 /nfs/dbraw/zinc/21/89/66/969218966.db2.gz IRXLFGKVBNVDIM-OQOSRZTISA-N 2 2 222.376 2.369 20 0 BEADLP CC/C=C\CC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208733097 969218979 /nfs/dbraw/zinc/21/89/79/969218979.db2.gz IRXLFGKVBNVDIM-OQOSRZTISA-N 2 2 222.376 2.369 20 0 BEADLP CCCCC[C@H](O)C[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001253550876 969224601 /nfs/dbraw/zinc/22/46/01/969224601.db2.gz LESDXRRAKVOKCX-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CCc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226018652 1166370021 /nfs/dbraw/zinc/37/00/21/1166370021.db2.gz LDJKXOFHZMKOGG-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226018652 1166370031 /nfs/dbraw/zinc/37/00/31/1166370031.db2.gz LDJKXOFHZMKOGG-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1C1CCCC1 ZINC000167865217 1166423786 /nfs/dbraw/zinc/42/37/86/1166423786.db2.gz KXTFAWZPDBWQDU-HNNXBMFYSA-N 2 2 230.355 2.315 20 0 BEADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1C1CCCC1 ZINC000167865217 1166423790 /nfs/dbraw/zinc/42/37/90/1166423790.db2.gz KXTFAWZPDBWQDU-HNNXBMFYSA-N 2 2 230.355 2.315 20 0 BEADLP Cc1[nH+]cn(C2CCC(F)(F)CC2)c1CC[NH3+] ZINC001254207798 969538814 /nfs/dbraw/zinc/53/88/14/969538814.db2.gz DFPHOOZPYOTHOI-UHFFFAOYSA-N 2 2 243.301 2.443 20 0 BEADLP CCCCCC[C@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000250813355 1166433072 /nfs/dbraw/zinc/43/30/72/1166433072.db2.gz IDAPVEXZUMLYLI-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCCC[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000250813355 1166433078 /nfs/dbraw/zinc/43/30/78/1166433078.db2.gz IDAPVEXZUMLYLI-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000306899283 1166507858 /nfs/dbraw/zinc/50/78/58/1166507858.db2.gz ZVFXNEBHCWKROX-GFCCVEGCSA-N 2 2 242.313 2.491 20 0 BEADLP CC[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000306899283 1166507860 /nfs/dbraw/zinc/50/78/60/1166507860.db2.gz ZVFXNEBHCWKROX-GFCCVEGCSA-N 2 2 242.313 2.491 20 0 BEADLP CC(C)CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832973 969797318 /nfs/dbraw/zinc/79/73/18/969797318.db2.gz TXXDDLNEGLETMY-CYBMUJFWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H](CC[N@@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC001210398206 969883596 /nfs/dbraw/zinc/88/35/96/969883596.db2.gz BHKPTUIOEQVTGT-CHWSQXEVSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@H](CC[N@H+]1CCO[C@H](C[NH3+])C1)CC(C)(C)C ZINC001210398206 969883601 /nfs/dbraw/zinc/88/36/01/969883601.db2.gz BHKPTUIOEQVTGT-CHWSQXEVSA-N 2 2 242.407 2.108 20 0 BEADLP CC[C@@H](C)CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000394448046 1166589108 /nfs/dbraw/zinc/58/91/08/1166589108.db2.gz JYDSHHZQANKWSV-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000394448046 1166589114 /nfs/dbraw/zinc/58/91/14/1166589114.db2.gz JYDSHHZQANKWSV-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)C(F)(F)F ZINC000925664231 1166697982 /nfs/dbraw/zinc/69/79/82/1166697982.db2.gz DLYJFMWKEYNATI-MRVPVSSYSA-N 2 2 238.297 2.305 20 0 BEADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000395190224 1166708945 /nfs/dbraw/zinc/70/89/45/1166708945.db2.gz WXAXYWQCWLXVKG-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000395190224 1166708950 /nfs/dbraw/zinc/70/89/50/1166708950.db2.gz WXAXYWQCWLXVKG-LBPRGKRZSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@H+](C)CCC[NH+](C)C ZINC001255645620 970420417 /nfs/dbraw/zinc/42/04/17/970420417.db2.gz HDKRZFDQZGLAOQ-VIFPVBQESA-N 2 2 226.286 2.211 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@@H+](C)CCC[NH+](C)C ZINC001255645620 970420428 /nfs/dbraw/zinc/42/04/28/970420428.db2.gz HDKRZFDQZGLAOQ-VIFPVBQESA-N 2 2 226.286 2.211 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cnoc1C ZINC001255941343 970572280 /nfs/dbraw/zinc/57/22/80/970572280.db2.gz ORVDXTLZDXOULE-NSHDSACASA-N 2 2 239.363 2.193 20 0 BEADLP CS[C@H](C)CC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000253016996 1166849299 /nfs/dbraw/zinc/84/92/99/1166849299.db2.gz HQCRUJUPRONKJD-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP CS[C@H](C)CC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000253016996 1166849308 /nfs/dbraw/zinc/84/93/08/1166849308.db2.gz HQCRUJUPRONKJD-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP CS[C@H](C)CC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000253016996 1166849314 /nfs/dbraw/zinc/84/93/14/1166849314.db2.gz HQCRUJUPRONKJD-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP CS[C@H](C)CC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000253016996 1166849319 /nfs/dbraw/zinc/84/93/19/1166849319.db2.gz HQCRUJUPRONKJD-OLZOCXBDSA-N 2 2 242.432 2.298 20 0 BEADLP Cc1ccc(N[C@H]2C[N@@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000381530657 1166942545 /nfs/dbraw/zinc/94/25/45/1166942545.db2.gz YWHVBXFUOGQHIL-ZANVPECISA-N 2 2 219.332 2.060 20 0 BEADLP Cc1ccc(N[C@H]2C[N@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000381530657 1166942550 /nfs/dbraw/zinc/94/25/50/1166942550.db2.gz YWHVBXFUOGQHIL-ZANVPECISA-N 2 2 219.332 2.060 20 0 BEADLP CC(C)CC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001256352774 970738475 /nfs/dbraw/zinc/73/84/75/970738475.db2.gz KJHAMPSYXXKASZ-LLVKDONJSA-N 2 2 209.337 2.382 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167949539 1167005765 /nfs/dbraw/zinc/00/57/65/1167005765.db2.gz XJPMOISGCKKAFF-CLLJXQQHSA-N 2 2 219.332 2.004 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167949539 1167005773 /nfs/dbraw/zinc/00/57/73/1167005773.db2.gz XJPMOISGCKKAFF-CLLJXQQHSA-N 2 2 219.332 2.004 20 0 BEADLP CCSC[C@@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001173302090 975200743 /nfs/dbraw/zinc/20/07/43/975200743.db2.gz OHDYNUYKJBHNPQ-SNVBAGLBSA-N 2 2 239.388 2.149 20 0 BEADLP CCSC[C@@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001173302090 975200753 /nfs/dbraw/zinc/20/07/53/975200753.db2.gz OHDYNUYKJBHNPQ-SNVBAGLBSA-N 2 2 239.388 2.149 20 0 BEADLP C[C@@H](CC1CC1)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251455515 1167148644 /nfs/dbraw/zinc/14/86/44/1167148644.db2.gz CCYFVBBULYPYHJ-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](CC1CC1)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251455515 1167148649 /nfs/dbraw/zinc/14/86/49/1167148649.db2.gz CCYFVBBULYPYHJ-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](CC1CC1)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251455515 1167148651 /nfs/dbraw/zinc/14/86/51/1167148651.db2.gz CCYFVBBULYPYHJ-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](CC1CC1)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000251455515 1167148655 /nfs/dbraw/zinc/14/86/55/1167148655.db2.gz CCYFVBBULYPYHJ-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccnc1Cl ZINC000309591486 1167331098 /nfs/dbraw/zinc/33/10/98/1167331098.db2.gz UWRBXRTWXRBOGW-SNVBAGLBSA-N 2 2 241.766 2.165 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccnc1Cl ZINC000309591484 1167331114 /nfs/dbraw/zinc/33/11/14/1167331114.db2.gz UWRBXRTWXRBOGW-JTQLQIEISA-N 2 2 241.766 2.165 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251728425 1167456689 /nfs/dbraw/zinc/45/66/89/1167456689.db2.gz FIWBTAAFXSQLBZ-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C[C@@H](C)CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000251728425 1167456692 /nfs/dbraw/zinc/45/66/92/1167456692.db2.gz FIWBTAAFXSQLBZ-BFHYXJOUSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C[C@H]1C ZINC000251848067 1167463600 /nfs/dbraw/zinc/46/36/00/1167463600.db2.gz OTBSJTWSEUOORG-UPJWGTAASA-N 2 2 235.375 2.377 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cs1 ZINC001336093232 977492851 /nfs/dbraw/zinc/49/28/51/977492851.db2.gz FUYDWQXUWCKBCX-OLZOCXBDSA-N 2 2 236.384 2.370 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cs1 ZINC001336093232 977492863 /nfs/dbraw/zinc/49/28/63/977492863.db2.gz FUYDWQXUWCKBCX-OLZOCXBDSA-N 2 2 236.384 2.370 20 0 BEADLP CCCc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235263754 1167784620 /nfs/dbraw/zinc/78/46/20/1167784620.db2.gz VDTFGLKJWJBOGA-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CCCc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235263754 1167784629 /nfs/dbraw/zinc/78/46/29/1167784629.db2.gz VDTFGLKJWJBOGA-CVEARBPZSA-N 2 2 244.382 2.433 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC000134027269 1167826966 /nfs/dbraw/zinc/82/69/66/1167826966.db2.gz WEJFHWKECCBVPP-RYUDHWBXSA-N 2 2 230.421 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC000134027269 1167826980 /nfs/dbraw/zinc/82/69/80/1167826980.db2.gz WEJFHWKECCBVPP-RYUDHWBXSA-N 2 2 230.421 2.200 20 0 BEADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212584 979000591 /nfs/dbraw/zinc/00/05/91/979000591.db2.gz FQINRTSCRLZNSS-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212584 979000596 /nfs/dbraw/zinc/00/05/96/979000596.db2.gz FQINRTSCRLZNSS-BFHYXJOUSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)s1 ZINC001235982209 979261882 /nfs/dbraw/zinc/26/18/82/979261882.db2.gz UODQZLPORNJZLS-QWHCGFSZSA-N 2 2 236.384 2.288 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(C)s1 ZINC001235982209 979261896 /nfs/dbraw/zinc/26/18/96/979261896.db2.gz UODQZLPORNJZLS-QWHCGFSZSA-N 2 2 236.384 2.288 20 0 BEADLP CC/C=C\CC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327073 979538205 /nfs/dbraw/zinc/53/82/05/979538205.db2.gz JGNMZVSSLKVWNJ-WSNITJDQSA-N 2 2 240.391 2.043 20 0 BEADLP CC/C=C\CC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327073 979538210 /nfs/dbraw/zinc/53/82/10/979538210.db2.gz JGNMZVSSLKVWNJ-WSNITJDQSA-N 2 2 240.391 2.043 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)ccc1C ZINC001236864377 979767885 /nfs/dbraw/zinc/76/78/85/979767885.db2.gz AXNRDLKRADNLRO-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)ccc1C ZINC001236864377 979767890 /nfs/dbraw/zinc/76/78/90/979767890.db2.gz AXNRDLKRADNLRO-AWEZNQCLSA-N 2 2 220.360 2.473 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(O)cc1C ZINC001236867825 979771228 /nfs/dbraw/zinc/77/12/28/979771228.db2.gz BWZIKQVLSYRVIN-LBPRGKRZSA-N 2 2 236.359 2.178 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(O)cc1C ZINC001236867825 979771235 /nfs/dbraw/zinc/77/12/35/979771235.db2.gz BWZIKQVLSYRVIN-LBPRGKRZSA-N 2 2 236.359 2.178 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])sc1C ZINC001236904991 979794379 /nfs/dbraw/zinc/79/43/79/979794379.db2.gz XQAZKTIAIJCXBT-VIFPVBQESA-N 2 2 212.362 2.144 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])sc1C ZINC001236904991 979794388 /nfs/dbraw/zinc/79/43/88/979794388.db2.gz XQAZKTIAIJCXBT-VIFPVBQESA-N 2 2 212.362 2.144 20 0 BEADLP Cc1[nH]c2ccc(O[C@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC000216606450 1168387282 /nfs/dbraw/zinc/38/72/82/1168387282.db2.gz VQBIPOCTLXHSBX-NSHDSACASA-N 2 2 231.299 2.002 20 0 BEADLP CC(C)[N@@H+]1CC[C@@H](Nc2ccc(N)c[nH+]2)[C@@H](C)C1 ZINC001163360100 1168406419 /nfs/dbraw/zinc/40/64/19/1168406419.db2.gz BSRADBRQKCKZLW-WCQYABFASA-N 2 2 248.374 2.195 20 0 BEADLP CC(C)[N@H+]1CC[C@@H](Nc2ccc(N)c[nH+]2)[C@@H](C)C1 ZINC001163360100 1168406424 /nfs/dbraw/zinc/40/64/24/1168406424.db2.gz BSRADBRQKCKZLW-WCQYABFASA-N 2 2 248.374 2.195 20 0 BEADLP C[C@H](CC(F)(F)F)[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246559169 1168650067 /nfs/dbraw/zinc/65/00/67/1168650067.db2.gz RQMUZGJNTCWJPX-BBBLOLIVSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@H](CC(F)(F)F)[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246559169 1168650071 /nfs/dbraw/zinc/65/00/71/1168650071.db2.gz RQMUZGJNTCWJPX-BBBLOLIVSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246559188 1168649887 /nfs/dbraw/zinc/64/98/87/1168649887.db2.gz RQMUZGJNTCWJPX-KXUCPTDWSA-N 2 2 238.297 2.387 20 0 BEADLP C[C@@H](CC(F)(F)F)[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246559188 1168649891 /nfs/dbraw/zinc/64/98/91/1168649891.db2.gz RQMUZGJNTCWJPX-KXUCPTDWSA-N 2 2 238.297 2.387 20 0 BEADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccsc2)CCC1(F)F ZINC001205760508 982400165 /nfs/dbraw/zinc/40/01/65/982400165.db2.gz AKHAYNRXMVKEND-SNVBAGLBSA-N 2 2 246.326 2.164 20 0 BEADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccsc2)CCC1(F)F ZINC001205760508 982400170 /nfs/dbraw/zinc/40/01/70/982400170.db2.gz AKHAYNRXMVKEND-SNVBAGLBSA-N 2 2 246.326 2.164 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](CCCC(F)(F)F)C1 ZINC001205807289 982574509 /nfs/dbraw/zinc/57/45/09/982574509.db2.gz ZNIQEHYDLXCXPS-VHSXEESVSA-N 2 2 238.297 2.388 20 0 BEADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](CCCC(F)(F)F)C1 ZINC001205807289 982574516 /nfs/dbraw/zinc/57/45/16/982574516.db2.gz ZNIQEHYDLXCXPS-VHSXEESVSA-N 2 2 238.297 2.388 20 0 BEADLP CCCC[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639183 1168947137 /nfs/dbraw/zinc/94/71/37/1168947137.db2.gz CIBRLGHKTWXTES-NSHDSACASA-N 2 2 209.337 2.131 20 0 BEADLP CC(C)[NH2+]c1ccc(-n2c[nH+]cc2N)cc1 ZINC001201489945 983258160 /nfs/dbraw/zinc/25/81/60/983258160.db2.gz YBNFUYFENOEUOV-UHFFFAOYSA-N 2 2 216.288 2.275 20 0 BEADLP CC(C)CC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201626611 983382926 /nfs/dbraw/zinc/38/29/26/983382926.db2.gz LKIHJIBUOXPXGO-CHWSQXEVSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201626611 983382929 /nfs/dbraw/zinc/38/29/29/983382929.db2.gz LKIHJIBUOXPXGO-CHWSQXEVSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201626611 983382936 /nfs/dbraw/zinc/38/29/36/983382936.db2.gz LKIHJIBUOXPXGO-CHWSQXEVSA-N 2 2 210.365 2.059 20 0 BEADLP CC(C)CC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201626611 983382942 /nfs/dbraw/zinc/38/29/42/983382942.db2.gz LKIHJIBUOXPXGO-CHWSQXEVSA-N 2 2 210.365 2.059 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001202114627 983560587 /nfs/dbraw/zinc/56/05/87/983560587.db2.gz BWIUILIIOMWULD-CHWSQXEVSA-N 2 2 224.392 2.449 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC001202114627 983560597 /nfs/dbraw/zinc/56/05/97/983560597.db2.gz BWIUILIIOMWULD-CHWSQXEVSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001202114627 983560608 /nfs/dbraw/zinc/56/06/08/983560608.db2.gz BWIUILIIOMWULD-CHWSQXEVSA-N 2 2 224.392 2.449 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001202114627 983560612 /nfs/dbraw/zinc/56/06/12/983560612.db2.gz BWIUILIIOMWULD-CHWSQXEVSA-N 2 2 224.392 2.449 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000093693697 1169193834 /nfs/dbraw/zinc/19/38/34/1169193834.db2.gz FMGGPQLYPBNBFP-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000093693697 1169193840 /nfs/dbraw/zinc/19/38/40/1169193840.db2.gz FMGGPQLYPBNBFP-ZDUSSCGKSA-N 2 2 236.359 2.443 20 0 BEADLP Cc1c[nH+]cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC001162982459 1169452916 /nfs/dbraw/zinc/45/29/16/1169452916.db2.gz AQSPMIFLLBJOKU-UONOGXRCSA-N 2 2 231.343 2.395 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256407953 970812367 /nfs/dbraw/zinc/81/23/67/970812367.db2.gz SKGZWINCOPHCIF-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256407953 970812374 /nfs/dbraw/zinc/81/23/74/970812374.db2.gz SKGZWINCOPHCIF-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccccn1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256410560 970820326 /nfs/dbraw/zinc/82/03/26/970820326.db2.gz VMRDWIWWARGPHB-CYBMUJFWSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@H](Cc1ccccn1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256410560 970820329 /nfs/dbraw/zinc/82/03/29/970820329.db2.gz VMRDWIWWARGPHB-CYBMUJFWSA-N 2 2 247.386 2.039 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001256718836 970938120 /nfs/dbraw/zinc/93/81/20/970938120.db2.gz LQXNKTVBENONKX-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001256718836 970938129 /nfs/dbraw/zinc/93/81/29/970938129.db2.gz LQXNKTVBENONKX-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256730712 970951993 /nfs/dbraw/zinc/95/19/93/970951993.db2.gz HLMSKIZOZQUPAA-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccncc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256730712 970951997 /nfs/dbraw/zinc/95/19/97/970951997.db2.gz HLMSKIZOZQUPAA-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CC(=O)CC(C)(C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257210363 971124466 /nfs/dbraw/zinc/12/44/66/971124466.db2.gz LGIYFMGIEWPIJA-UHFFFAOYSA-N 2 2 240.391 2.207 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001257223949 971133747 /nfs/dbraw/zinc/13/37/47/971133747.db2.gz JWFMHKOSVOWKSM-GXTWGEPZSA-N 2 2 222.376 2.344 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001257223949 971133755 /nfs/dbraw/zinc/13/37/55/971133755.db2.gz JWFMHKOSVOWKSM-GXTWGEPZSA-N 2 2 222.376 2.344 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](F)C2)CC1 ZINC001257216809 971135602 /nfs/dbraw/zinc/13/56/02/971135602.db2.gz JCAAFWRNQFMRDL-LBPRGKRZSA-N 2 2 228.355 2.293 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC001257216809 971135622 /nfs/dbraw/zinc/13/56/22/971135622.db2.gz JCAAFWRNQFMRDL-LBPRGKRZSA-N 2 2 228.355 2.293 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001257311881 971205139 /nfs/dbraw/zinc/20/51/39/971205139.db2.gz QPMVPFHUQLOFJK-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001257311881 971205152 /nfs/dbraw/zinc/20/51/52/971205152.db2.gz QPMVPFHUQLOFJK-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C)[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257321746 971222027 /nfs/dbraw/zinc/22/20/27/971222027.db2.gz VWYCIIKXVSJMKM-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP CCC[C@@H](C)[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001257321746 971222035 /nfs/dbraw/zinc/22/20/35/971222035.db2.gz VWYCIIKXVSJMKM-CYBMUJFWSA-N 2 2 242.407 2.218 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cncc3ccccc32)C1 ZINC000405758763 971302534 /nfs/dbraw/zinc/30/25/34/971302534.db2.gz FTODGRQQVCBXJD-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000405758763 971302541 /nfs/dbraw/zinc/30/25/41/971302541.db2.gz FTODGRQQVCBXJD-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP CC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257446931 971362786 /nfs/dbraw/zinc/36/27/86/971362786.db2.gz SXMNIEHUKWFRDR-LBPRGKRZSA-N 2 2 233.359 2.439 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccsc1 ZINC001204042357 971402793 /nfs/dbraw/zinc/40/27/93/971402793.db2.gz AOHXXZPJGBFICH-UHFFFAOYSA-N 2 2 235.356 2.467 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccsc1 ZINC001204042357 971402802 /nfs/dbraw/zinc/40/28/02/971402802.db2.gz AOHXXZPJGBFICH-UHFFFAOYSA-N 2 2 235.356 2.467 20 0 BEADLP CCCCC[C@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001257507980 971424709 /nfs/dbraw/zinc/42/47/09/971424709.db2.gz BBNDESZQGZEZAS-ZDUSSCGKSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCCSC1 ZINC001257676521 971479154 /nfs/dbraw/zinc/47/91/54/971479154.db2.gz CSEYURYVTQROFK-CYBMUJFWSA-N 2 2 242.432 2.298 20 0 BEADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCCSC1 ZINC001257676521 971479157 /nfs/dbraw/zinc/47/91/57/971479157.db2.gz CSEYURYVTQROFK-CYBMUJFWSA-N 2 2 242.432 2.298 20 0 BEADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001258012091 971552527 /nfs/dbraw/zinc/55/25/27/971552527.db2.gz SCNCODSRJJZHTQ-OCCSQVGLSA-N 2 2 242.382 2.397 20 0 BEADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001258012091 971552533 /nfs/dbraw/zinc/55/25/33/971552533.db2.gz SCNCODSRJJZHTQ-OCCSQVGLSA-N 2 2 242.382 2.397 20 0 BEADLP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H](F)C2)CC1 ZINC001258013925 971559812 /nfs/dbraw/zinc/55/98/12/971559812.db2.gz ZJNBSMNTSPDCSD-LBPRGKRZSA-N 2 2 228.355 2.151 20 0 BEADLP CC(C)C[NH+]1CCC([N@H+]2CC[C@H](F)C2)CC1 ZINC001258013925 971559818 /nfs/dbraw/zinc/55/98/18/971559818.db2.gz ZJNBSMNTSPDCSD-LBPRGKRZSA-N 2 2 228.355 2.151 20 0 BEADLP CC1(C)[C@@H]2C[C@H]([NH2+]CCCn3cc[nH+]c3)C[C@@H]21 ZINC001170709021 971608523 /nfs/dbraw/zinc/60/85/23/971608523.db2.gz APPWBVOZHWOOBA-CLLJXQQHSA-N 2 2 233.359 2.297 20 0 BEADLP Cc1cc(-c2cccc(C[NH+](C)C)n2)c[nH+]c1N ZINC001245536905 971849761 /nfs/dbraw/zinc/84/97/61/971849761.db2.gz FVMXMANIUQGEJM-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP Cc1cc2[nH+]ccn2cc1-c1ccncc1C[NH3+] ZINC001245561024 971867011 /nfs/dbraw/zinc/86/70/11/971867011.db2.gz XSZCWGCBQSTFGK-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP c1cn([C@@H]2CCCOCC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001170832289 971942511 /nfs/dbraw/zinc/94/25/11/971942511.db2.gz WYFKINRRXIIKMV-CHWSQXEVSA-N 2 2 249.358 2.092 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000218701122 972032598 /nfs/dbraw/zinc/03/25/98/972032598.db2.gz IWALOEDSWAOPKQ-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000218701122 972032611 /nfs/dbraw/zinc/03/26/11/972032611.db2.gz IWALOEDSWAOPKQ-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP COc1cccc2[nH+]c(NCC[C@@H](C)[NH3+])ccc21 ZINC001170889267 972036016 /nfs/dbraw/zinc/03/60/16/972036016.db2.gz MBMFABLYLYZFMF-SNVBAGLBSA-N 2 2 245.326 2.393 20 0 BEADLP CC(C)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246080318 972135968 /nfs/dbraw/zinc/13/59/68/972135968.db2.gz FCPMSEAPHQIJAC-TUAOUCFPSA-N 2 2 216.344 2.101 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC(C)(C)C1 ZINC001246090348 972144420 /nfs/dbraw/zinc/14/44/20/972144420.db2.gz DZKHXAGSQVNJMS-RNJOBUHISA-N 2 2 242.382 2.491 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246085099 972140007 /nfs/dbraw/zinc/14/00/07/972140007.db2.gz GQYQAHCRRYXEKO-CYDGBPFRSA-N 2 2 230.371 2.491 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170956090 972149150 /nfs/dbraw/zinc/14/91/50/972149150.db2.gz UHXYERMKOCNOHT-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2cccc(F)c2C1 ZINC001170956090 972149155 /nfs/dbraw/zinc/14/91/55/972149155.db2.gz UHXYERMKOCNOHT-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP CCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246095192 972150266 /nfs/dbraw/zinc/15/02/66/972150266.db2.gz ZVKFYWBOBTUIHT-KBPBESRZSA-N 2 2 242.407 2.313 20 0 BEADLP Cc1c(C2=CCC[N@@H+](C)C2)ccc2[nH+]ccn21 ZINC001241571613 1169735112 /nfs/dbraw/zinc/73/51/12/1169735112.db2.gz AWNQILHFJQQTGG-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1c(C2=CCC[N@H+](C)C2)ccc2[nH+]ccn21 ZINC001241571613 1169735119 /nfs/dbraw/zinc/73/51/19/1169735119.db2.gz AWNQILHFJQQTGG-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cc(C)c(Nc2cc[nH+]c(CO)c2)c[nH+]1 ZINC001213508235 957053528 /nfs/dbraw/zinc/05/35/28/957053528.db2.gz NYLBXEHUHQQRCW-UHFFFAOYSA-N 2 2 229.283 2.329 20 0 BEADLP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246338047 972297874 /nfs/dbraw/zinc/29/78/74/972297874.db2.gz WHGZFSOIXOPSRM-OLZOCXBDSA-N 2 2 244.448 2.496 20 0 BEADLP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000164937155 957890751 /nfs/dbraw/zinc/89/07/51/957890751.db2.gz KDWJZXNHQCXEQP-CYBMUJFWSA-N 2 2 204.317 2.172 20 0 BEADLP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000164937155 957890752 /nfs/dbraw/zinc/89/07/52/957890752.db2.gz KDWJZXNHQCXEQP-CYBMUJFWSA-N 2 2 204.317 2.172 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246372272 972308368 /nfs/dbraw/zinc/30/83/68/972308368.db2.gz ZMBIRXQBADUKOG-WFASDCNBSA-N 2 2 248.370 2.063 20 0 BEADLP CCOCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172407185 974666545 /nfs/dbraw/zinc/66/65/45/974666545.db2.gz UACVMYZJOMWTCO-CQSZACIVSA-N 2 2 242.407 2.123 20 0 BEADLP CCc1cc(NCC[NH+]2CCCC2)nc(CC)[nH+]1 ZINC000891563706 958463844 /nfs/dbraw/zinc/46/38/44/958463844.db2.gz BWNQOAAVWSSDQR-UHFFFAOYSA-N 2 2 248.374 2.109 20 0 BEADLP Cc1ccc(Nc2ccc(C[NH3+])nc2)[nH+]c1C ZINC001160402650 972351735 /nfs/dbraw/zinc/35/17/35/972351735.db2.gz ZNTZMLDQAPWBGL-UHFFFAOYSA-N 2 2 228.299 2.296 20 0 BEADLP [NH3+]Cc1ccc(Nc2ccc3c([nH+]2)CCC3)cn1 ZINC001160402171 972353078 /nfs/dbraw/zinc/35/30/78/972353078.db2.gz MHZWTNNHLWJVOR-UHFFFAOYSA-N 2 2 240.310 2.168 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246507225 972365914 /nfs/dbraw/zinc/36/59/14/972365914.db2.gz LOZKCAUBECOOKD-SMDDNHRTSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@H]([NH3+])c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167616740 959073517 /nfs/dbraw/zinc/07/35/17/959073517.db2.gz OUFNQTAIJNVHHR-JTQLQIEISA-N 2 2 242.326 2.296 20 0 BEADLP C1[C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C[C@H]12 ZINC001167913600 959166465 /nfs/dbraw/zinc/16/64/65/959166465.db2.gz OYXUKIBQXSPEHU-QNWHQSFQSA-N 2 2 220.360 2.001 20 0 BEADLP C1[C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C[C@H]12 ZINC001167913600 959166472 /nfs/dbraw/zinc/16/64/72/959166472.db2.gz OYXUKIBQXSPEHU-QNWHQSFQSA-N 2 2 220.360 2.001 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001222237211 972415392 /nfs/dbraw/zinc/41/53/92/972415392.db2.gz GGASJBNCJTULHK-AWEZNQCLSA-N 2 2 233.359 2.041 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)[nH]1 ZINC001222237211 972415403 /nfs/dbraw/zinc/41/54/03/972415403.db2.gz GGASJBNCJTULHK-AWEZNQCLSA-N 2 2 233.359 2.041 20 0 BEADLP Cc1cccnc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238046 972419943 /nfs/dbraw/zinc/41/99/43/972419943.db2.gz YYYGWIZMLAGQSF-OAHLLOKOSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cccnc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222238046 972419946 /nfs/dbraw/zinc/41/99/46/972419946.db2.gz YYYGWIZMLAGQSF-OAHLLOKOSA-N 2 2 245.370 2.108 20 0 BEADLP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000309781269 959695925 /nfs/dbraw/zinc/69/59/25/959695925.db2.gz MYDJLUSQLHXPPY-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP CCCc1ccc(C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC001222380241 972449816 /nfs/dbraw/zinc/44/98/16/972449816.db2.gz WPHLZLBJFRGBPS-UHFFFAOYSA-N 2 2 244.382 2.434 20 0 BEADLP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCCO1 ZINC001140802198 959885709 /nfs/dbraw/zinc/88/57/09/959885709.db2.gz QLFAYURNWRAKOX-NSHDSACASA-N 2 2 245.326 2.174 20 0 BEADLP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCCO1 ZINC001140802198 959885716 /nfs/dbraw/zinc/88/57/16/959885716.db2.gz QLFAYURNWRAKOX-NSHDSACASA-N 2 2 245.326 2.174 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925522602 960267722 /nfs/dbraw/zinc/26/77/22/960267722.db2.gz NUMZNZCIMJJXAX-AWEZNQCLSA-N 2 2 232.371 2.479 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695775181 960447050 /nfs/dbraw/zinc/44/70/50/960447050.db2.gz YARFZGOPQHEJBW-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695775181 960447063 /nfs/dbraw/zinc/44/70/63/960447063.db2.gz YARFZGOPQHEJBW-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695775178 960448364 /nfs/dbraw/zinc/44/83/64/960448364.db2.gz YARFZGOPQHEJBW-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695775178 960448374 /nfs/dbraw/zinc/44/83/74/960448374.db2.gz YARFZGOPQHEJBW-OLZOCXBDSA-N 2 2 222.376 2.393 20 0 BEADLP COC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140799545 960576713 /nfs/dbraw/zinc/57/67/13/960576713.db2.gz FEZHWEVJILKWOT-UHFFFAOYSA-N 2 2 245.326 2.174 20 0 BEADLP F[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]2C[C@@H]21 ZINC001140801064 960590991 /nfs/dbraw/zinc/59/09/91/960590991.db2.gz GJCAHZYCPCNXHG-GAFUQQFSSA-N 2 2 245.301 2.353 20 0 BEADLP F[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]2C[C@@H]21 ZINC001140801064 960590996 /nfs/dbraw/zinc/59/09/96/960590996.db2.gz GJCAHZYCPCNXHG-GAFUQQFSSA-N 2 2 245.301 2.353 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)[C@H](C)CO1 ZINC001140804751 960593453 /nfs/dbraw/zinc/59/34/53/960593453.db2.gz CQUFZHMAQGTTSR-GHMZBOCLSA-N 2 2 245.326 2.172 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)[C@H](C)CO1 ZINC001140804751 960593459 /nfs/dbraw/zinc/59/34/59/960593459.db2.gz CQUFZHMAQGTTSR-GHMZBOCLSA-N 2 2 245.326 2.172 20 0 BEADLP C1[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]12 ZINC001167914087 961093939 /nfs/dbraw/zinc/09/39/39/961093939.db2.gz SOSVIFDZSPZJRA-RQJABVFESA-N 2 2 234.387 2.391 20 0 BEADLP C1[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C[C@H]12 ZINC001167914087 961093957 /nfs/dbraw/zinc/09/39/57/961093957.db2.gz SOSVIFDZSPZJRA-RQJABVFESA-N 2 2 234.387 2.391 20 0 BEADLP c1cn([C@H]2C[C@H]3C[C@H]3C2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001167951133 962663124 /nfs/dbraw/zinc/66/31/24/962663124.db2.gz GRHASIFHVIGCMZ-NDBYEHHHSA-N 2 2 231.343 2.321 20 0 BEADLP Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)nc(C(C)C)[nH+]1 ZINC001155101798 962978380 /nfs/dbraw/zinc/97/83/80/962978380.db2.gz KAVRRNUIEQPXID-ZYHUDNBSSA-N 2 2 248.374 2.318 20 0 BEADLP Cc1cc(-n2cccc2C[NH3+])nc(C(C)C)[nH+]1 ZINC001156730261 963446469 /nfs/dbraw/zinc/44/64/69/963446469.db2.gz GZVGFUOVMSHSOY-UHFFFAOYSA-N 2 2 230.315 2.158 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(C)c1 ZINC001204782316 963532092 /nfs/dbraw/zinc/53/20/92/963532092.db2.gz CYYUEXLIYHJXNY-OAHLLOKOSA-N 2 2 248.370 2.235 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@@](C)([NH3+])C2)c(C)c1 ZINC001204782316 963532095 /nfs/dbraw/zinc/53/20/95/963532095.db2.gz CYYUEXLIYHJXNY-OAHLLOKOSA-N 2 2 248.370 2.235 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3cccnc3c2)C1 ZINC001204782801 963539806 /nfs/dbraw/zinc/53/98/06/963539806.db2.gz JMTJZJZTTQBJCG-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001204782801 963539815 /nfs/dbraw/zinc/53/98/15/963539815.db2.gz JMTJZJZTTQBJCG-HNNXBMFYSA-N 2 2 241.338 2.158 20 0 BEADLP CCCc1cc(N2CCC[C@H]([NH3+])[C@@H]2C)nc(C)[nH+]1 ZINC001157749080 963715675 /nfs/dbraw/zinc/71/56/75/963715675.db2.gz YSLKTDMMFLZZKN-GWCFXTLKSA-N 2 2 248.374 2.054 20 0 BEADLP Cc1c(F)cc[nH+]c1N1CCC[C@](C)(C[NH3+])C1 ZINC001158678131 963901476 /nfs/dbraw/zinc/90/14/76/963901476.db2.gz CLJWSBBSCJUUSE-CYBMUJFWSA-N 2 2 237.322 2.094 20 0 BEADLP Cc1cc(-n2ccc(C[NH3+])c2)nc(C(C)C)[nH+]1 ZINC001158766602 963918338 /nfs/dbraw/zinc/91/83/38/963918338.db2.gz BWXGINBEZSPGTQ-UHFFFAOYSA-N 2 2 230.315 2.158 20 0 BEADLP Cc1cc2cc(NC3(C)CC[NH2+]CC3)[nH+]cc2[nH]1 ZINC001168183907 963939529 /nfs/dbraw/zinc/93/95/29/963939529.db2.gz ORPYBMACLHVZIA-UHFFFAOYSA-N 2 2 244.342 2.425 20 0 BEADLP CCc1[nH+]ccc(C)c1NC1=CCC[NH2+]C1 ZINC001159417137 964079869 /nfs/dbraw/zinc/07/98/69/964079869.db2.gz SIJFOFRWOMYJFT-UHFFFAOYSA-N 2 2 217.316 2.242 20 0 BEADLP CCc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC001204388732 964088585 /nfs/dbraw/zinc/08/85/85/964088585.db2.gz BJAANOGLOVRPSG-UHFFFAOYSA-N 2 2 236.359 2.368 20 0 BEADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC001204388732 964088607 /nfs/dbraw/zinc/08/86/07/964088607.db2.gz BJAANOGLOVRPSG-UHFFFAOYSA-N 2 2 236.359 2.368 20 0 BEADLP CCO[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000721246921 964088782 /nfs/dbraw/zinc/08/87/82/964088782.db2.gz UEZBXTJJRGDKKJ-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CSCc1cc[nH+]c(NCC[C@@H](C)[NH3+])c1 ZINC001159779179 964189709 /nfs/dbraw/zinc/18/97/09/964189709.db2.gz VPMGPMKABGQOGU-SECBINFHSA-N 2 2 225.361 2.094 20 0 BEADLP Nc1cccc(-n2ccc3cccc(C[NH3+])c32)[nH+]1 ZINC001160456199 964302538 /nfs/dbraw/zinc/30/25/38/964302538.db2.gz CCSKEQQXLNESKQ-UHFFFAOYSA-N 2 2 238.294 2.066 20 0 BEADLP CCOc1cc[nH+]c(N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC001160913578 964439408 /nfs/dbraw/zinc/43/94/08/964439408.db2.gz SNLVKPKVNALYGN-NSHDSACASA-N 2 2 237.347 2.266 20 0 BEADLP Cc1c(F)cc[nH+]c1NCC[C@H]1CCC[N@H+]1C ZINC001160963261 964449145 /nfs/dbraw/zinc/44/91/45/964449145.db2.gz DGRUXBCXVQREQS-LLVKDONJSA-N 2 2 237.322 2.425 20 0 BEADLP Cc1c(F)cc[nH+]c1NCC[C@H]1CCC[N@@H+]1C ZINC001160963261 964449151 /nfs/dbraw/zinc/44/91/51/964449151.db2.gz DGRUXBCXVQREQS-LLVKDONJSA-N 2 2 237.322 2.425 20 0 BEADLP Cc1cc[nH+]c(NC2C[NH+](C(C)(C)C)C2)c1 ZINC001162220218 964879886 /nfs/dbraw/zinc/87/98/86/964879886.db2.gz MDRRYIYCWNLJCU-UHFFFAOYSA-N 2 2 219.332 2.285 20 0 BEADLP COc1cc[nH+]cc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162457265 964983529 /nfs/dbraw/zinc/98/35/29/964983529.db2.gz NJZXEAXLSJAWGR-VXGBXAGGSA-N 2 2 249.358 2.138 20 0 BEADLP Cc1[nH+]cccc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162465190 964987354 /nfs/dbraw/zinc/98/73/54/964987354.db2.gz DKUQPTMDGFPTDI-AAEUAGOBSA-N 2 2 233.359 2.438 20 0 BEADLP C/C=C(\NC=[NH2+])[NH2+]C[C@H]1CCCC[C@H]1C ZINC001162524020 965022054 /nfs/dbraw/zinc/02/20/54/965022054.db2.gz JSVSQPUSXZBPIJ-GWESFEMTSA-N 2 2 209.337 2.460 20 0 BEADLP c1cn2ccc(N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2[nH+]1 ZINC001162984300 965219243 /nfs/dbraw/zinc/21/92/43/965219243.db2.gz HARGAHMLEZKOOL-GXTWGEPZSA-N 2 2 242.326 2.031 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068982 965424851 /nfs/dbraw/zinc/42/48/51/965424851.db2.gz RCAMSYMHKJIEBG-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068982 965424866 /nfs/dbraw/zinc/42/48/66/965424866.db2.gz RCAMSYMHKJIEBG-FZMZJTMJSA-N 2 2 236.334 2.446 20 0 BEADLP Cc1[nH+]ccn1CCNc1[nH+]ccc2cc[nH]c21 ZINC001163928351 965640122 /nfs/dbraw/zinc/64/01/22/965640122.db2.gz HWOGGXBVDLVEPK-UHFFFAOYSA-N 2 2 241.298 2.180 20 0 BEADLP CC(C)c1ccc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)[nH+]c1 ZINC001165153011 965976465 /nfs/dbraw/zinc/97/64/65/965976465.db2.gz VFQLPIZNZWELGJ-ZIAGYGMSSA-N 2 2 245.370 2.203 20 0 BEADLP CC(C)c1ccc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)[nH+]c1 ZINC001165153007 965977090 /nfs/dbraw/zinc/97/70/90/965977090.db2.gz VFQLPIZNZWELGJ-KBPBESRZSA-N 2 2 245.370 2.203 20 0 BEADLP CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235986379 966200232 /nfs/dbraw/zinc/20/02/32/966200232.db2.gz CQIBNYZMSYUSAT-TZMCWYRMSA-N 2 2 248.395 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235986379 966200252 /nfs/dbraw/zinc/20/02/52/966200252.db2.gz CQIBNYZMSYUSAT-TZMCWYRMSA-N 2 2 248.395 2.332 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995059 966218772 /nfs/dbraw/zinc/21/87/72/966218772.db2.gz UZXGJVGPHDKRQI-JKSUJKDBSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995059 966218795 /nfs/dbraw/zinc/21/87/95/966218795.db2.gz UZXGJVGPHDKRQI-JKSUJKDBSA-N 2 2 242.366 2.487 20 0 BEADLP CC[N@H+](CC[NH2+]C)Cc1cccc2ccoc21 ZINC001236145868 966280107 /nfs/dbraw/zinc/28/01/07/966280107.db2.gz NRBQYBPTBOPSBT-UHFFFAOYSA-N 2 2 232.327 2.474 20 0 BEADLP CC[N@@H+](CC[NH2+]C)Cc1cccc2ccoc21 ZINC001236145868 966280117 /nfs/dbraw/zinc/28/01/17/966280117.db2.gz NRBQYBPTBOPSBT-UHFFFAOYSA-N 2 2 232.327 2.474 20 0 BEADLP Cc1cccc2c(C[N@@H+]3CC[C@H]([NH3+])C3)c[nH]c21 ZINC001236170704 966291476 /nfs/dbraw/zinc/29/14/76/966291476.db2.gz YWZRUSJCOGQJNT-LBPRGKRZSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1cccc2c(C[N@H+]3CC[C@H]([NH3+])C3)c[nH]c21 ZINC001236170704 966291484 /nfs/dbraw/zinc/29/14/84/966291484.db2.gz YWZRUSJCOGQJNT-LBPRGKRZSA-N 2 2 229.327 2.009 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2cc3ccccc3o2)C1 ZINC001206718626 966409189 /nfs/dbraw/zinc/40/91/89/966409189.db2.gz WNILHMMYFMZMNC-UHFFFAOYSA-N 2 2 230.311 2.213 20 0 BEADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccco3)C[C@@H]2C1 ZINC001203284425 966595511 /nfs/dbraw/zinc/59/55/11/966595511.db2.gz BQLAXVDYXAGEFP-BETUJISGSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccco3)C[C@@H]2C1 ZINC001203284425 966595524 /nfs/dbraw/zinc/59/55/24/966595524.db2.gz BQLAXVDYXAGEFP-BETUJISGSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC001203284425 966595535 /nfs/dbraw/zinc/59/55/35/966595535.db2.gz BQLAXVDYXAGEFP-BETUJISGSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2C1 ZINC001203284425 966595560 /nfs/dbraw/zinc/59/55/60/966595560.db2.gz BQLAXVDYXAGEFP-BETUJISGSA-N 2 2 234.343 2.053 20 0 BEADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccco3)C[C@H]2C1 ZINC001203284426 966597339 /nfs/dbraw/zinc/59/73/39/966597339.db2.gz BQLAXVDYXAGEFP-CHWSQXEVSA-N 2 2 234.343 2.053 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(ccn2C)c1 ZINC001236869821 966608151 /nfs/dbraw/zinc/60/81/51/966608151.db2.gz YTMDMIBFWYKKDZ-AWEZNQCLSA-N 2 2 245.370 2.347 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(ccn2C)c1 ZINC001236869821 966608157 /nfs/dbraw/zinc/60/81/57/966608157.db2.gz YTMDMIBFWYKKDZ-AWEZNQCLSA-N 2 2 245.370 2.347 20 0 BEADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC001203918036 966821239 /nfs/dbraw/zinc/82/12/39/966821239.db2.gz NCJYKDPXVCVQPP-KBPBESRZSA-N 2 2 248.345 2.209 20 0 BEADLP Oc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204100808 966893653 /nfs/dbraw/zinc/89/36/53/966893653.db2.gz QKFVFMGUMODSAY-UHFFFAOYSA-N 2 2 246.354 2.062 20 0 BEADLP COc1cc[nH+]cc1Nc1c[nH+]c(N)c(C)c1 ZINC001249781377 967055851 /nfs/dbraw/zinc/05/58/51/967055851.db2.gz BSTBIWCWAIGBPF-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204800531 967176422 /nfs/dbraw/zinc/17/64/22/967176422.db2.gz DPRZYSKVMLWNOE-AWEZNQCLSA-N 2 2 236.334 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204800531 967176432 /nfs/dbraw/zinc/17/64/32/967176432.db2.gz DPRZYSKVMLWNOE-AWEZNQCLSA-N 2 2 236.334 2.366 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1cccc(F)c1 ZINC001205058205 967314047 /nfs/dbraw/zinc/31/40/47/967314047.db2.gz GHRFOKFBEMSGCQ-FZMZJTMJSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1cccc(F)c1 ZINC001205058205 967314054 /nfs/dbraw/zinc/31/40/54/967314054.db2.gz GHRFOKFBEMSGCQ-FZMZJTMJSA-N 2 2 236.334 2.180 20 0 BEADLP COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1C ZINC001205068162 967324104 /nfs/dbraw/zinc/32/41/04/967324104.db2.gz DMBIARLZBRWKCU-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])ccc1C ZINC001205068162 967324114 /nfs/dbraw/zinc/32/41/14/967324114.db2.gz DMBIARLZBRWKCU-JSGCOSHPSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)n1 ZINC001205074843 967327254 /nfs/dbraw/zinc/32/72/54/967327254.db2.gz AUCQXAUQXUJCGS-FZMZJTMJSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])c(C)n1 ZINC001205074843 967327270 /nfs/dbraw/zinc/32/72/70/967327270.db2.gz AUCQXAUQXUJCGS-FZMZJTMJSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088571 967340553 /nfs/dbraw/zinc/34/05/53/967340553.db2.gz PVZWBWJRPOBTSM-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP Cc1ccc(O)cc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205088571 967340564 /nfs/dbraw/zinc/34/05/64/967340564.db2.gz PVZWBWJRPOBTSM-AAEUAGOBSA-N 2 2 234.343 2.012 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccsc2)C1 ZINC001205806661 967829582 /nfs/dbraw/zinc/82/95/82/967829582.db2.gz VDQDJFJEYQOZRT-ZYHUDNBSSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccsc2)C1 ZINC001205806661 967829585 /nfs/dbraw/zinc/82/95/85/967829585.db2.gz VDQDJFJEYQOZRT-ZYHUDNBSSA-N 2 2 224.373 2.307 20 0 BEADLP CCOc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206075271 968041771 /nfs/dbraw/zinc/04/17/71/968041771.db2.gz CIPNWZDFLJYDPA-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP CCOc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206075271 968041787 /nfs/dbraw/zinc/04/17/87/968041787.db2.gz CIPNWZDFLJYDPA-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2nccs2)C1 ZINC001206549340 968374799 /nfs/dbraw/zinc/37/47/99/968374799.db2.gz LQWDENOSQMIUAY-LBPRGKRZSA-N 2 2 239.388 2.094 20 0 BEADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2nccs2)C1 ZINC001206549340 968374805 /nfs/dbraw/zinc/37/48/05/968374805.db2.gz LQWDENOSQMIUAY-LBPRGKRZSA-N 2 2 239.388 2.094 20 0 BEADLP CCc1ccc(C[NH+]2CC(C)(C[NH3+])C2)s1 ZINC001206729379 968443786 /nfs/dbraw/zinc/44/37/86/968443786.db2.gz DVGCVWUXVACIEO-UHFFFAOYSA-N 2 2 224.373 2.091 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164453741 968516911 /nfs/dbraw/zinc/51/69/11/968516911.db2.gz PPBYPKCYUIOCBT-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164453741 968516916 /nfs/dbraw/zinc/51/69/16/968516916.db2.gz PPBYPKCYUIOCBT-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](Cc1cncc(C)c1)C1CC[NH+](C)CC1 ZINC001207156848 968666409 /nfs/dbraw/zinc/66/64/09/968666409.db2.gz NBTWMPXCJAVSNT-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1cncc(C)c1)C1CC[NH+](C)CC1 ZINC001207156848 968666415 /nfs/dbraw/zinc/66/64/15/968666415.db2.gz NBTWMPXCJAVSNT-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H]1CF ZINC001207285181 968717514 /nfs/dbraw/zinc/71/75/14/968717514.db2.gz ZZHPHYVPDUPTPD-LLVKDONJSA-N 2 2 216.344 2.008 20 0 BEADLP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]1CF ZINC001207285181 968717518 /nfs/dbraw/zinc/71/75/18/968717518.db2.gz ZZHPHYVPDUPTPD-LLVKDONJSA-N 2 2 216.344 2.008 20 0 BEADLP COc1cc(C)c[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154985252 968840965 /nfs/dbraw/zinc/84/09/65/968840965.db2.gz BRQSQHQCGHIDBS-QWRGUYRKSA-N 2 2 235.331 2.080 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207730232 968867996 /nfs/dbraw/zinc/86/79/96/968867996.db2.gz VFHUTTWSXUUUHE-MOKVOYLWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC1CC([NH2+]C[C@@H]2CCCC[N@H+]2C)C1 ZINC001207730232 968867999 /nfs/dbraw/zinc/86/79/99/968867999.db2.gz VFHUTTWSXUUUHE-MOKVOYLWSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000165833058 969131125 /nfs/dbraw/zinc/13/11/25/969131125.db2.gz UYDJGTVNWOXLHQ-FRRDWIJNSA-N 2 2 242.432 2.202 20 0 BEADLP CC[NH+]1CCC(C[N@@H+]2CCC(F)(F)C2)CC1 ZINC001208595147 969150068 /nfs/dbraw/zinc/15/00/68/969150068.db2.gz QHRICRZLOMMLFK-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP CC[NH+]1CCC(C[N@H+]2CCC(F)(F)C2)CC1 ZINC001208595147 969150075 /nfs/dbraw/zinc/15/00/75/969150075.db2.gz QHRICRZLOMMLFK-UHFFFAOYSA-N 2 2 232.318 2.059 20 0 BEADLP Cc1c[nH+]cc(N(CC[NH3+])c2cccnc2)c1C ZINC001168835712 969232846 /nfs/dbraw/zinc/23/28/46/969232846.db2.gz CXRIUGMHOVFLTJ-UHFFFAOYSA-N 2 2 242.326 2.190 20 0 BEADLP Cc1ccnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169078360 969395996 /nfs/dbraw/zinc/39/59/96/969395996.db2.gz DLNWSBCOQXIBQU-YOWGUQMCSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1ccnc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169078360 969396002 /nfs/dbraw/zinc/39/60/02/969396002.db2.gz DLNWSBCOQXIBQU-YOWGUQMCSA-N 2 2 245.370 2.105 20 0 BEADLP C[N@H+](Cc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126805 969434020 /nfs/dbraw/zinc/43/40/20/969434020.db2.gz XSBGOXBARCNYCK-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@@H+](Cc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169126805 969434032 /nfs/dbraw/zinc/43/40/32/969434032.db2.gz XSBGOXBARCNYCK-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169126805 969434037 /nfs/dbraw/zinc/43/40/37/969434037.db2.gz XSBGOXBARCNYCK-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[NH+](Cc1ccccn1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169126805 969434043 /nfs/dbraw/zinc/43/40/43/969434043.db2.gz XSBGOXBARCNYCK-QDMKHBRRSA-N 2 2 245.370 2.139 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3occc3C1)C2 ZINC001169155545 969471333 /nfs/dbraw/zinc/47/13/33/969471333.db2.gz QVAYEDOBXYDOSO-WDNDVIMCSA-N 2 2 246.354 2.263 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3occc3C1)C2 ZINC001169155545 969471341 /nfs/dbraw/zinc/47/13/41/969471341.db2.gz QVAYEDOBXYDOSO-WDNDVIMCSA-N 2 2 246.354 2.263 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3occc3C1)C2 ZINC001169155545 969471349 /nfs/dbraw/zinc/47/13/49/969471349.db2.gz QVAYEDOBXYDOSO-WDNDVIMCSA-N 2 2 246.354 2.263 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3occc3C1)C2 ZINC001169155545 969471359 /nfs/dbraw/zinc/47/13/59/969471359.db2.gz QVAYEDOBXYDOSO-WDNDVIMCSA-N 2 2 246.354 2.263 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001169246260 969535104 /nfs/dbraw/zinc/53/51/04/969535104.db2.gz RAMYFWVTSXVSHJ-ZDUSSCGKSA-N 2 2 228.355 2.295 20 0 BEADLP CC[NH+]1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001169246260 969535108 /nfs/dbraw/zinc/53/51/08/969535108.db2.gz RAMYFWVTSXVSHJ-ZDUSSCGKSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C)[nH]3)C[C@@H]2C1 ZINC001209576562 969561566 /nfs/dbraw/zinc/56/15/66/969561566.db2.gz YNDACPAQPULEFI-KBPBESRZSA-N 2 2 247.386 2.097 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C[C@H]1C ZINC001209730528 969587308 /nfs/dbraw/zinc/58/73/08/969587308.db2.gz WDLZXDLONDRFHI-VXGBXAGGSA-N 2 2 233.359 2.362 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C[C@H]1C ZINC001209730528 969587314 /nfs/dbraw/zinc/58/73/14/969587314.db2.gz WDLZXDLONDRFHI-VXGBXAGGSA-N 2 2 233.359 2.362 20 0 BEADLP CCCC[N@H+](CC)Cc1c[nH+]ccc1N ZINC001209728993 969590367 /nfs/dbraw/zinc/59/03/67/969590367.db2.gz YKBAUDJDRIWXOB-UHFFFAOYSA-N 2 2 207.321 2.116 20 0 BEADLP CCCC[N@@H+](CC)Cc1c[nH+]ccc1N ZINC001209728993 969590374 /nfs/dbraw/zinc/59/03/74/969590374.db2.gz YKBAUDJDRIWXOB-UHFFFAOYSA-N 2 2 207.321 2.116 20 0 BEADLP COc1cc[nH+]cc1Nc1c[nH+]c(N)cc1C ZINC001209966577 969729695 /nfs/dbraw/zinc/72/96/95/969729695.db2.gz ANYQJDSOBNGTJS-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP C1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833154 969790586 /nfs/dbraw/zinc/79/05/86/969790586.db2.gz VOVBEXVTIOPWJW-ZDUSSCGKSA-N 2 2 208.349 2.003 20 0 BEADLP F[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254832258 969792125 /nfs/dbraw/zinc/79/21/25/969792125.db2.gz DKDZFBIRONABIP-MELADBBJSA-N 2 2 240.366 2.199 20 0 BEADLP CC(C)(C)CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254829668 969793683 /nfs/dbraw/zinc/79/36/83/969793683.db2.gz DVHOBNRYNVQPDX-CYBMUJFWSA-N 2 2 224.392 2.497 20 0 BEADLP FC1(F)CC(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254832054 969794766 /nfs/dbraw/zinc/79/47/66/969794766.db2.gz BJYJKYCAYMKYJS-LBPRGKRZSA-N 2 2 244.329 2.106 20 0 BEADLP CC1CC(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254832532 969795574 /nfs/dbraw/zinc/79/55/74/969795574.db2.gz GWYZHZRBAVQLMU-UXUKBGGZSA-N 2 2 222.376 2.106 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840862 969800911 /nfs/dbraw/zinc/80/09/11/969800911.db2.gz PGIINJLNWKRMFK-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840863 969801532 /nfs/dbraw/zinc/80/15/32/969801532.db2.gz PGIINJLNWKRMFK-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C1CC2(C1)CC([NH2+][C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254845149 969804028 /nfs/dbraw/zinc/80/40/28/969804028.db2.gz MYKFMFRCKWELED-ZDUSSCGKSA-N 2 2 234.387 2.393 20 0 BEADLP CCC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254846607 969804306 /nfs/dbraw/zinc/80/43/06/969804306.db2.gz XKSSNNFKHZDFOL-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C1[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C12CCC2 ZINC001254848383 969804354 /nfs/dbraw/zinc/80/43/54/969804354.db2.gz OLKRCOYYTFSBME-OLZOCXBDSA-N 2 2 220.360 2.003 20 0 BEADLP Cc1c[nH+]c(NCc2cc[nH+]c(N)c2)c(C)c1 ZINC001156757581 969994228 /nfs/dbraw/zinc/99/42/28/969994228.db2.gz WRDWTZXPWOMFPE-UHFFFAOYSA-N 2 2 228.299 2.288 20 0 BEADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC001255273772 970026720 /nfs/dbraw/zinc/02/67/20/970026720.db2.gz FRIOCEIUPUZUIC-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC001255273772 970026729 /nfs/dbraw/zinc/02/67/29/970026729.db2.gz FRIOCEIUPUZUIC-NWDGAFQWSA-N 2 2 242.432 2.344 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1 ZINC001157262040 970174208 /nfs/dbraw/zinc/17/42/08/970174208.db2.gz UZUDGNMBFHBRCP-KBPBESRZSA-N 2 2 245.370 2.229 20 0 BEADLP Cc1cc(C)[nH+]c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1 ZINC001157262040 970174211 /nfs/dbraw/zinc/17/42/11/970174211.db2.gz UZUDGNMBFHBRCP-KBPBESRZSA-N 2 2 245.370 2.229 20 0 BEADLP CC[N@@H+]1CCc2cc(-c3c[nH+]cn3C)ccc2C1 ZINC001243068842 970262745 /nfs/dbraw/zinc/26/27/45/970262745.db2.gz IDXDDRZTZYBEEE-UHFFFAOYSA-N 2 2 241.338 2.465 20 0 BEADLP CC[N@H+]1CCc2cc(-c3c[nH+]cn3C)ccc2C1 ZINC001243068842 970262757 /nfs/dbraw/zinc/26/27/57/970262757.db2.gz IDXDDRZTZYBEEE-UHFFFAOYSA-N 2 2 241.338 2.465 20 0 BEADLP COC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001255566608 970357079 /nfs/dbraw/zinc/35/70/79/970357079.db2.gz LNUWEWUXERSRIB-NSHDSACASA-N 2 2 245.326 2.216 20 0 BEADLP Cc1ccc(NC2C[NH+](C(C)C)C2)[nH+]c1C ZINC001157526330 970413412 /nfs/dbraw/zinc/41/34/12/970413412.db2.gz QPTCRMXXEHHXMZ-UHFFFAOYSA-N 2 2 219.332 2.203 20 0 BEADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CC[C@@H](C)C1)C2 ZINC001170137596 970413709 /nfs/dbraw/zinc/41/37/09/970413709.db2.gz OHEXOEXIJKDIFA-PWSUYJOCSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CC[C@@H](C)C1)C2 ZINC001170137596 970413712 /nfs/dbraw/zinc/41/37/12/970413712.db2.gz OHEXOEXIJKDIFA-PWSUYJOCSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000302644892 970456823 /nfs/dbraw/zinc/45/68/23/970456823.db2.gz GMHYQOGWPOMZDP-CQSZACIVSA-N 2 2 235.375 2.161 20 0 BEADLP Cc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001255774129 970480698 /nfs/dbraw/zinc/48/06/98/970480698.db2.gz WRSCBZWPOVJKAL-UONOGXRCSA-N 2 2 234.387 2.466 20 0 BEADLP CC[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC001170197490 970594559 /nfs/dbraw/zinc/59/45/59/970594559.db2.gz OUFBVVNXLNBDQB-RDBSUJKOSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)CCO1 ZINC001170197490 970594567 /nfs/dbraw/zinc/59/45/67/970594567.db2.gz OUFBVVNXLNBDQB-RDBSUJKOSA-N 2 2 240.391 2.016 20 0 BEADLP C1CC1[NH+]1CCC([NH+]2C3CCC2CC3)CC1 ZINC001256078351 970647364 /nfs/dbraw/zinc/64/73/64/970647364.db2.gz VNPHRZRTMUHHDN-UHFFFAOYSA-N 2 2 220.360 2.240 20 0 BEADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108786 970660435 /nfs/dbraw/zinc/66/04/35/970660435.db2.gz OLGHKPYFRNKGNL-GBJTYRQASA-N 2 2 230.355 2.402 20 0 BEADLP C[NH+]1CCC([NH2+]C(C)(C)c2ccccn2)CC1 ZINC001256200382 970693297 /nfs/dbraw/zinc/69/32/97/970693297.db2.gz SUBJAJVEKUDZCY-UHFFFAOYSA-N 2 2 233.359 2.001 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cccnc1Cl ZINC001327839660 972753907 /nfs/dbraw/zinc/75/39/07/972753907.db2.gz JUDVLQWWBMBNAM-VHSXEESVSA-N 2 2 241.766 2.241 20 0 BEADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccnc1Cl ZINC001327839661 972755146 /nfs/dbraw/zinc/75/51/46/972755146.db2.gz JUDVLQWWBMBNAM-ZJUUUORDSA-N 2 2 241.766 2.241 20 0 BEADLP COc1ccc2ccc(NC/C=C/C[NH3+])[nH+]c2c1 ZINC001160982712 973241309 /nfs/dbraw/zinc/24/13/09/973241309.db2.gz IQYABCFEVSAQHK-NSCUHMNNSA-N 2 2 243.310 2.170 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498242 1169961921 /nfs/dbraw/zinc/96/19/21/1169961921.db2.gz LOEWBDFLIACJEK-NEBZKDRISA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC001331498242 1169961926 /nfs/dbraw/zinc/96/19/26/1169961926.db2.gz LOEWBDFLIACJEK-NEBZKDRISA-N 2 2 236.403 2.495 20 0 BEADLP Cc1cc(NC[C@@H]2CCCC[NH2+]2)c[nH+]c1C ZINC001171333516 973856074 /nfs/dbraw/zinc/85/60/74/973856074.db2.gz FKKQIYBVODWSFM-LBPRGKRZSA-N 2 2 219.332 2.252 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715001545 974016884 /nfs/dbraw/zinc/01/68/84/974016884.db2.gz YZLPONSUFXCPPN-VHSXEESVSA-N 2 2 249.185 2.379 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715001545 974016897 /nfs/dbraw/zinc/01/68/97/974016897.db2.gz YZLPONSUFXCPPN-VHSXEESVSA-N 2 2 249.185 2.379 20 0 BEADLP Cc1cccc2c1CC[C@H]([NH2+][C@H](C)C[NH+](C)C)C2 ZINC001171552246 974100733 /nfs/dbraw/zinc/10/07/33/974100733.db2.gz VJRNLCWFNUMHLU-HIFRSBDPSA-N 2 2 246.398 2.392 20 0 BEADLP CC1(C)C[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CO1 ZINC001172288966 974555901 /nfs/dbraw/zinc/55/59/01/974555901.db2.gz PFDVEQDUBSWYGK-NEPJUHHUSA-N 2 2 249.358 2.090 20 0 BEADLP C[C@@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])C[C@@H]1C ZINC001172357293 974626974 /nfs/dbraw/zinc/62/69/74/974626974.db2.gz BRLKYEZANFDBPM-WOPDTQHZSA-N 2 2 221.348 2.382 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC001172435347 974675332 /nfs/dbraw/zinc/67/53/32/974675332.db2.gz CFPIMCXOYCCKHU-KBPBESRZSA-N 2 2 242.407 2.262 20 0 BEADLP CC(C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC001172435347 974675338 /nfs/dbraw/zinc/67/53/38/974675338.db2.gz CFPIMCXOYCCKHU-KBPBESRZSA-N 2 2 242.407 2.262 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172384179 974729506 /nfs/dbraw/zinc/72/95/06/974729506.db2.gz FCZGMCVUFNOBDY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172384179 974729511 /nfs/dbraw/zinc/72/95/11/974729511.db2.gz FCZGMCVUFNOBDY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC1CC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC001331966059 974894447 /nfs/dbraw/zinc/89/44/47/974894447.db2.gz SDBBOMYTCKTEJI-ZALBZXLWSA-N 2 2 247.386 2.463 20 0 BEADLP Cc1[nH]c(C[NH2+]C2(C3CC3)CCOCC2)c(C)[nH+]1 ZINC001333033223 975376977 /nfs/dbraw/zinc/37/69/77/975376977.db2.gz VSARBAVKAWLHAA-UHFFFAOYSA-N 2 2 249.358 2.075 20 0 BEADLP c1c[nH+]c(N2CCCC2)c(Nc2cc[nH+]cc2)c1 ZINC001173879515 975913613 /nfs/dbraw/zinc/91/36/13/975913613.db2.gz SPMQMSNNPHIEPO-UHFFFAOYSA-N 2 2 240.310 2.242 20 0 BEADLP CCc1ccc(C[N@H+](CC)CCC[NH+](C)C)nc1 ZINC001231642530 977659774 /nfs/dbraw/zinc/65/97/74/977659774.db2.gz CVIQUOSMNPCHTO-UHFFFAOYSA-N 2 2 249.402 2.418 20 0 BEADLP CCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)nc1 ZINC001231642530 977659788 /nfs/dbraw/zinc/65/97/88/977659788.db2.gz CVIQUOSMNPCHTO-UHFFFAOYSA-N 2 2 249.402 2.418 20 0 BEADLP CCc1ccc(N2CCC([NH+](C)C)CC2)[nH+]c1 ZINC001336469833 977705830 /nfs/dbraw/zinc/70/58/30/977705830.db2.gz BXDGZVKFVKCQHN-UHFFFAOYSA-N 2 2 233.359 2.174 20 0 BEADLP CC[C@@H]1COCC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015112 977845088 /nfs/dbraw/zinc/84/50/88/977845088.db2.gz BBPIITRIWPPOAO-CYBMUJFWSA-N 2 2 245.326 2.174 20 0 BEADLP CC[C@@H]1COCC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015112 977845090 /nfs/dbraw/zinc/84/50/90/977845090.db2.gz BBPIITRIWPPOAO-CYBMUJFWSA-N 2 2 245.326 2.174 20 0 BEADLP Cc1nc(NC[C@H]2CCCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001336765484 977935083 /nfs/dbraw/zinc/93/50/83/977935083.db2.gz YXOIWUIXJDTSKW-CYBMUJFWSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(NC[C@H]2CCCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001336765484 977935090 /nfs/dbraw/zinc/93/50/90/977935090.db2.gz YXOIWUIXJDTSKW-CYBMUJFWSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1cc(C)[nH+]c(N2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000721838877 978049678 /nfs/dbraw/zinc/04/96/78/978049678.db2.gz VPJQPWLAIZJNBX-NWDGAFQWSA-N 2 2 219.332 2.014 20 0 BEADLP Cc1cc(C)[nH+]c(N2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC000721838881 978053048 /nfs/dbraw/zinc/05/30/48/978053048.db2.gz VPJQPWLAIZJNBX-VXGBXAGGSA-N 2 2 219.332 2.014 20 0 BEADLP Cc1[nH]c(C[NH+]2CC3CCC(CC3)C2)c[nH+]1 ZINC001232465114 978109873 /nfs/dbraw/zinc/10/98/73/978109873.db2.gz UVSDNRWFLDKGNI-UHFFFAOYSA-N 2 2 219.332 2.340 20 0 BEADLP Cc1cccc(F)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001232483655 978133597 /nfs/dbraw/zinc/13/35/97/978133597.db2.gz MVNOENHTEIPKSH-BETUJISGSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(F)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001232483655 978133606 /nfs/dbraw/zinc/13/36/06/978133606.db2.gz MVNOENHTEIPKSH-BETUJISGSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(F)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001232483655 978133615 /nfs/dbraw/zinc/13/36/15/978133615.db2.gz MVNOENHTEIPKSH-BETUJISGSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1cccc(F)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001232483655 978133618 /nfs/dbraw/zinc/13/36/18/978133618.db2.gz MVNOENHTEIPKSH-BETUJISGSA-N 2 2 248.345 2.128 20 0 BEADLP Cc1ccc[nH+]c1N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277707318 978258207 /nfs/dbraw/zinc/25/82/07/978258207.db2.gz AGXRWOVEDJHJEW-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1ccc[nH+]c1N1CCC2(CC[N@H+](C)C2)CC1 ZINC001277707318 978258218 /nfs/dbraw/zinc/25/82/18/978258218.db2.gz AGXRWOVEDJHJEW-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)[nH+]1 ZINC001337431702 978334348 /nfs/dbraw/zinc/33/43/48/978334348.db2.gz LURLWJIBIUMBAM-RAIGVLPGSA-N 2 2 249.333 2.281 20 0 BEADLP Cc1cc(F)cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)[nH+]1 ZINC001337431702 978334361 /nfs/dbraw/zinc/33/43/61/978334361.db2.gz LURLWJIBIUMBAM-RAIGVLPGSA-N 2 2 249.333 2.281 20 0 BEADLP Cc1c[nH+]ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001339610244 978878076 /nfs/dbraw/zinc/87/80/76/978878076.db2.gz OUDXCVDTYYZQNJ-UHFFFAOYSA-N 2 2 242.326 2.497 20 0 BEADLP FC1(F)CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235078500 978971469 /nfs/dbraw/zinc/97/14/69/978971469.db2.gz VPGYZBKFKVELFL-VXGBXAGGSA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235078500 978971474 /nfs/dbraw/zinc/97/14/74/978971474.db2.gz VPGYZBKFKVELFL-VXGBXAGGSA-N 2 2 244.329 2.248 20 0 BEADLP CC1=CC[C@@H](CC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C1(C)C ZINC001235147392 978981560 /nfs/dbraw/zinc/98/15/60/978981560.db2.gz SEHHBNHCNWZTSL-YDHLFZDLSA-N 2 2 234.387 2.402 20 0 BEADLP CC1=CC[C@@H](CC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C1(C)C ZINC001235147392 978981570 /nfs/dbraw/zinc/98/15/70/978981570.db2.gz SEHHBNHCNWZTSL-YDHLFZDLSA-N 2 2 234.387 2.402 20 0 BEADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166188 978988609 /nfs/dbraw/zinc/98/86/09/978988609.db2.gz PSGRHAGFZYZZLV-LJISPDSOSA-N 2 2 234.387 2.402 20 0 BEADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166188 978988614 /nfs/dbraw/zinc/98/86/14/978988614.db2.gz PSGRHAGFZYZZLV-LJISPDSOSA-N 2 2 234.387 2.402 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc3occc31)C2 ZINC001235172545 978989118 /nfs/dbraw/zinc/98/91/18/978989118.db2.gz HYRJSTNCDULEEK-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc3occc31)C2 ZINC001235172545 978989122 /nfs/dbraw/zinc/98/91/22/978989122.db2.gz HYRJSTNCDULEEK-SWLSCSKDSA-N 2 2 242.322 2.356 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC001235187887 978992215 /nfs/dbraw/zinc/99/22/15/978992215.db2.gz GTQBBNCHGAXVMI-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)cc1C ZINC001235187887 978992217 /nfs/dbraw/zinc/99/22/17/978992217.db2.gz GTQBBNCHGAXVMI-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC001235187613 978993302 /nfs/dbraw/zinc/99/33/02/978993302.db2.gz FYKYMEZDSUAPRO-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC001235187613 978993306 /nfs/dbraw/zinc/99/33/06/978993306.db2.gz FYKYMEZDSUAPRO-GOEBONIOSA-N 2 2 244.382 2.406 20 0 BEADLP Cc1cccc(CC[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209902 978996182 /nfs/dbraw/zinc/99/61/82/978996182.db2.gz UAWPQTJBTTXALD-CVEARBPZSA-N 2 2 244.382 2.221 20 0 BEADLP Cc1cccc(CC[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC001235209902 978996189 /nfs/dbraw/zinc/99/61/89/978996189.db2.gz UAWPQTJBTTXALD-CVEARBPZSA-N 2 2 244.382 2.221 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001235674862 979113366 /nfs/dbraw/zinc/11/33/66/979113366.db2.gz ROTSVAUWLOAGGE-NSHDSACASA-N 2 2 236.334 2.352 20 0 BEADLP CCc1cccc(C)c1C[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235831100 979161707 /nfs/dbraw/zinc/16/17/07/979161707.db2.gz DYAQZTPDNCMHNT-CQSZACIVSA-N 2 2 232.371 2.351 20 0 BEADLP CCc1cccc(C)c1C[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235831100 979161711 /nfs/dbraw/zinc/16/17/11/979161711.db2.gz DYAQZTPDNCMHNT-CQSZACIVSA-N 2 2 232.371 2.351 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235959045 979226786 /nfs/dbraw/zinc/22/67/86/979226786.db2.gz QFKNJCPMWAMBEA-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001235959045 979226794 /nfs/dbraw/zinc/22/67/94/979226794.db2.gz QFKNJCPMWAMBEA-ZFWWWQNUSA-N 2 2 248.370 2.015 20 0 BEADLP Cc1cccc(OC2CC[NH+](C[C@H](C)[NH3+])CC2)c1 ZINC001235960258 979226815 /nfs/dbraw/zinc/22/68/15/979226815.db2.gz QIGMKJWMANBNGN-ZDUSSCGKSA-N 2 2 248.370 2.185 20 0 BEADLP CCc1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235986130 979267021 /nfs/dbraw/zinc/26/70/21/979267021.db2.gz CLOSJZFZXWGCSV-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235986130 979267027 /nfs/dbraw/zinc/26/70/27/979267027.db2.gz CLOSJZFZXWGCSV-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)s1 ZINC001235990247 979272579 /nfs/dbraw/zinc/27/25/79/979272579.db2.gz MELHVIQVYUWYBQ-GWCFXTLKSA-N 2 2 236.384 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)s1 ZINC001235990247 979272587 /nfs/dbraw/zinc/27/25/87/979272587.db2.gz MELHVIQVYUWYBQ-GWCFXTLKSA-N 2 2 236.384 2.234 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995038 979287317 /nfs/dbraw/zinc/28/73/17/979287317.db2.gz UZXGJVGPHDKRQI-CVEARBPZSA-N 2 2 242.366 2.487 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235995038 979287319 /nfs/dbraw/zinc/28/73/19/979287319.db2.gz UZXGJVGPHDKRQI-CVEARBPZSA-N 2 2 242.366 2.487 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236015656 979301553 /nfs/dbraw/zinc/30/15/53/979301553.db2.gz AHLZCTZKYXTGPQ-NHYWBVRUSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236015656 979301559 /nfs/dbraw/zinc/30/15/59/979301559.db2.gz AHLZCTZKYXTGPQ-NHYWBVRUSA-N 2 2 241.338 2.009 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc3cccccc1-3)C2 ZINC001236027203 979321883 /nfs/dbraw/zinc/32/18/83/979321883.db2.gz NFKZLQDWEVGWPG-GDBMZVCRSA-N 2 2 238.334 2.324 20 0 BEADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001236027203 979321892 /nfs/dbraw/zinc/32/18/92/979321892.db2.gz NFKZLQDWEVGWPG-GDBMZVCRSA-N 2 2 238.334 2.324 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059718 979349171 /nfs/dbraw/zinc/34/91/71/979349171.db2.gz KHCQFMSPRJCGKH-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC001236059718 979349180 /nfs/dbraw/zinc/34/91/80/979349180.db2.gz KHCQFMSPRJCGKH-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP C[NH+]1CCC(Cn2c[nH+]c3c2CCCC3)CC1 ZINC000691609717 979469291 /nfs/dbraw/zinc/46/92/91/979469291.db2.gz JRLNIMPGOFJOPX-UHFFFAOYSA-N 2 2 233.359 2.104 20 0 BEADLP Nc1ccc(-c2cccc3c2CC[C@@H]3[NH3+])c[nH+]1 ZINC001236315529 979527993 /nfs/dbraw/zinc/52/79/93/979527993.db2.gz KOISGZVFKXZNKF-ZDUSSCGKSA-N 2 2 225.295 2.277 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC001183001059 979695550 /nfs/dbraw/zinc/69/55/50/979695550.db2.gz RPXLNFIYEQPUSJ-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC001183001059 979695554 /nfs/dbraw/zinc/69/55/54/979695554.db2.gz RPXLNFIYEQPUSJ-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2c1CCC2 ZINC001236883422 979774823 /nfs/dbraw/zinc/77/48/23/979774823.db2.gz GPOPSZYEPXXLIO-AWEZNQCLSA-N 2 2 232.371 2.344 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c1CCC2 ZINC001236883422 979774834 /nfs/dbraw/zinc/77/48/34/979774834.db2.gz GPOPSZYEPXXLIO-AWEZNQCLSA-N 2 2 232.371 2.344 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(F)cc2cc[nH]c21 ZINC001236883658 979776064 /nfs/dbraw/zinc/77/60/64/979776064.db2.gz IKUNWRZUUQJSHC-ZDUSSCGKSA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(F)cc2cc[nH]c21 ZINC001236883658 979776072 /nfs/dbraw/zinc/77/60/72/979776072.db2.gz IKUNWRZUUQJSHC-ZDUSSCGKSA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2cccnc2c1 ZINC001236869882 979779422 /nfs/dbraw/zinc/77/94/22/979779422.db2.gz ZLDCWKQWWGHSOL-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2cccnc2c1 ZINC001236869882 979779428 /nfs/dbraw/zinc/77/94/28/979779428.db2.gz ZLDCWKQWWGHSOL-AWEZNQCLSA-N 2 2 243.354 2.404 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccc(F)cc12 ZINC001236895085 979783589 /nfs/dbraw/zinc/78/35/89/979783589.db2.gz KPTARYRIMQJICD-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccc(F)cc12 ZINC001236895085 979783598 /nfs/dbraw/zinc/78/35/98/979783598.db2.gz KPTARYRIMQJICD-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccnc2c(F)cccc12 ZINC001236903458 979787341 /nfs/dbraw/zinc/78/73/41/979787341.db2.gz CVWQEHSOYRGNGJ-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccnc2c(F)cccc12 ZINC001236903458 979787350 /nfs/dbraw/zinc/78/73/50/979787350.db2.gz CVWQEHSOYRGNGJ-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP CC1CC([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001343319061 980064348 /nfs/dbraw/zinc/06/43/48/980064348.db2.gz LSAFWQRSURKHCU-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP CC1CC([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001343319061 980064353 /nfs/dbraw/zinc/06/43/53/980064353.db2.gz LSAFWQRSURKHCU-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP FC[C@H]1CCC[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238115624 980165726 /nfs/dbraw/zinc/16/57/26/980165726.db2.gz LLOJSGIKEYGXSD-LLVKDONJSA-N 2 2 233.290 2.268 20 0 BEADLP FC[C@H]1CCC[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238115624 980165728 /nfs/dbraw/zinc/16/57/28/980165728.db2.gz LLOJSGIKEYGXSD-LLVKDONJSA-N 2 2 233.290 2.268 20 0 BEADLP Cc1c(C2=CCC[NH2+]CC2)ccc2[nH+]ccn21 ZINC001238951770 980389771 /nfs/dbraw/zinc/38/97/71/980389771.db2.gz YCUCSYALIXZUKS-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP Cc1cnc(-c2ccc3[nH+]ccn3c2)c(C[NH3+])c1 ZINC001240216905 981167570 /nfs/dbraw/zinc/16/75/70/981167570.db2.gz RQUPITRYQGWFAK-UHFFFAOYSA-N 2 2 238.294 2.163 20 0 BEADLP C[C@@H](C[NH2+]CCc1ccc(F)cc1F)[NH+](C)C ZINC001347793174 981176611 /nfs/dbraw/zinc/17/66/11/981176611.db2.gz HJPVZGCQLALASF-JTQLQIEISA-N 2 2 242.313 2.047 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+]Cc1cccc(F)c1F ZINC001348516625 981381984 /nfs/dbraw/zinc/38/19/84/981381984.db2.gz UXIZZMGETDHNDB-SECBINFHSA-N 2 2 228.286 2.052 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC001203790369 981603164 /nfs/dbraw/zinc/60/31/64/981603164.db2.gz VXVSRPVBPBFQGO-UKRRQHHQSA-N 2 2 248.345 2.209 20 0 BEADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC001203790369 981603166 /nfs/dbraw/zinc/60/31/66/981603166.db2.gz VXVSRPVBPBFQGO-UKRRQHHQSA-N 2 2 248.345 2.209 20 0 BEADLP CC1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001350959456 982129532 /nfs/dbraw/zinc/12/95/32/982129532.db2.gz ZGJGMFGWUCYMHZ-RYUDHWBXSA-N 2 2 208.349 2.145 20 0 BEADLP CC1([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001350959456 982129542 /nfs/dbraw/zinc/12/95/42/982129542.db2.gz ZGJGMFGWUCYMHZ-RYUDHWBXSA-N 2 2 208.349 2.145 20 0 BEADLP C[N@@H+]1CCc2ccc(-c3cc[nH+]c(N)c3)cc2C1 ZINC001241175676 982323838 /nfs/dbraw/zinc/32/38/38/982323838.db2.gz JQDPLATVZMATHG-UHFFFAOYSA-N 2 2 239.322 2.319 20 0 BEADLP C[N@H+]1CCc2ccc(-c3cc[nH+]c(N)c3)cc2C1 ZINC001241175676 982323844 /nfs/dbraw/zinc/32/38/44/982323844.db2.gz JQDPLATVZMATHG-UHFFFAOYSA-N 2 2 239.322 2.319 20 0 BEADLP CCc1cc(NCC[N@H+](C)C2CC2)nc(CC)[nH+]1 ZINC001351960616 982415598 /nfs/dbraw/zinc/41/55/98/982415598.db2.gz JMYFMZCSCJZPRB-UHFFFAOYSA-N 2 2 248.374 2.108 20 0 BEADLP CCc1cc(NCC[N@@H+](C)C2CC2)nc(CC)[nH+]1 ZINC001351960616 982415613 /nfs/dbraw/zinc/41/56/13/982415613.db2.gz JMYFMZCSCJZPRB-UHFFFAOYSA-N 2 2 248.374 2.108 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CC[N@H+](C)CC1 ZINC001241323032 982484332 /nfs/dbraw/zinc/48/43/32/982484332.db2.gz WVDWVKGVALFENY-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1cc2[nH+]ccn2cc1C1=CC[N@@H+](C)CC1 ZINC001241323032 982484336 /nfs/dbraw/zinc/48/43/36/982484336.db2.gz WVDWVKGVALFENY-UHFFFAOYSA-N 2 2 227.311 2.362 20 0 BEADLP Cc1ccc(O)cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205853420 982867795 /nfs/dbraw/zinc/86/77/95/982867795.db2.gz ILNAPXFNFPEDCD-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP Cc1ccc(O)cc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205853420 982867797 /nfs/dbraw/zinc/86/77/97/982867797.db2.gz ILNAPXFNFPEDCD-FZMZJTMJSA-N 2 2 248.370 2.260 20 0 BEADLP CCc1ccc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)[nH+]c1 ZINC001354278380 983247187 /nfs/dbraw/zinc/24/71/87/983247187.db2.gz MEWHAOCCAXKMJF-DZGCQCFKSA-N 2 2 245.370 2.032 20 0 BEADLP CCc1ccc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)[nH+]c1 ZINC001354278380 983247196 /nfs/dbraw/zinc/24/71/96/983247196.db2.gz MEWHAOCCAXKMJF-DZGCQCFKSA-N 2 2 245.370 2.032 20 0 BEADLP CCC[C@H](C)C[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201540990 983299036 /nfs/dbraw/zinc/29/90/36/983299036.db2.gz AXKGMLITZIWNNK-NSHDSACASA-N 2 2 221.348 2.443 20 0 BEADLP CCC[C@H](C)C[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201540990 983299046 /nfs/dbraw/zinc/29/90/46/983299046.db2.gz AXKGMLITZIWNNK-NSHDSACASA-N 2 2 221.348 2.443 20 0 BEADLP Cn1c[nH+]cc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242692560 984051233 /nfs/dbraw/zinc/05/12/33/984051233.db2.gz SKBBXTJIORGSOP-CYBMUJFWSA-N 2 2 231.343 2.452 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCCF ZINC000389371511 984338538 /nfs/dbraw/zinc/33/85/38/984338538.db2.gz LRSZOBHACUMLGZ-GFCCVEGCSA-N 2 2 216.344 2.200 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCCF ZINC000389371511 984338543 /nfs/dbraw/zinc/33/85/43/984338543.db2.gz LRSZOBHACUMLGZ-GFCCVEGCSA-N 2 2 216.344 2.200 20 0 BEADLP C[NH2+]Cc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001242996073 984362198 /nfs/dbraw/zinc/36/21/98/984362198.db2.gz SUAJYJHIIGDXDQ-UHFFFAOYSA-N 2 2 227.311 2.359 20 0 BEADLP CCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275126466 984496858 /nfs/dbraw/zinc/49/68/58/984496858.db2.gz SKFAWSQSILCENB-UHFFFAOYSA-N 2 2 210.365 2.204 20 0 BEADLP CCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275126466 984496875 /nfs/dbraw/zinc/49/68/75/984496875.db2.gz SKFAWSQSILCENB-UHFFFAOYSA-N 2 2 210.365 2.204 20 0 BEADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccoc1)C2 ZINC001275943967 984739368 /nfs/dbraw/zinc/73/93/68/984739368.db2.gz VUICMLIPMMELTM-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccoc1)C2 ZINC001275943967 984739362 /nfs/dbraw/zinc/73/93/62/984739362.db2.gz VUICMLIPMMELTM-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccoc1)C2 ZINC001275943967 984739373 /nfs/dbraw/zinc/73/93/73/984739373.db2.gz VUICMLIPMMELTM-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC001275943967 984739397 /nfs/dbraw/zinc/73/93/97/984739397.db2.gz VUICMLIPMMELTM-AWEZNQCLSA-N 2 2 234.343 2.197 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC001578179649 984869022 /nfs/dbraw/zinc/86/90/22/984869022.db2.gz VMYUYPRRHKWGSL-IUODEOHRSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH+](C)/C=C/c1ccncc1-c1ccc[nH+]c1N ZINC001243477377 985039317 /nfs/dbraw/zinc/03/93/17/985039317.db2.gz LZNNWJMCBDWITH-RMKNXTFCSA-N 2 2 240.310 2.258 20 0 BEADLP C[N@H+](CC[NH3+])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001578471109 985103477 /nfs/dbraw/zinc/10/34/77/985103477.db2.gz SNHFRCJBIXFEFV-UONOGXRCSA-N 2 2 248.370 2.123 20 0 BEADLP C[N@@H+](CC[NH3+])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001578471109 985103495 /nfs/dbraw/zinc/10/34/95/985103495.db2.gz SNHFRCJBIXFEFV-UONOGXRCSA-N 2 2 248.370 2.123 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC001257664410 985245380 /nfs/dbraw/zinc/24/53/80/985245380.db2.gz PKQXGXXNHSPEOB-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC001257664410 985245395 /nfs/dbraw/zinc/24/53/95/985245395.db2.gz PKQXGXXNHSPEOB-QWHCGFSZSA-N 2 2 242.432 2.202 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001258200626 985605211 /nfs/dbraw/zinc/60/52/11/985605211.db2.gz UWJUIFCVKVIGPV-NWDGAFQWSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H](CC1CC1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258457454 985898724 /nfs/dbraw/zinc/89/87/24/985898724.db2.gz HZLQXHICSSXVKM-NSHDSACASA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H](CC1CC1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258457454 985898735 /nfs/dbraw/zinc/89/87/35/985898735.db2.gz HZLQXHICSSXVKM-NSHDSACASA-N 2 2 210.365 2.201 20 0 BEADLP CCC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC001460900129 985937493 /nfs/dbraw/zinc/93/74/93/985937493.db2.gz LSYFIQGOAJLMPI-CYBMUJFWSA-N 2 2 221.348 2.456 20 0 BEADLP CCC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC001460900129 985937508 /nfs/dbraw/zinc/93/75/08/985937508.db2.gz LSYFIQGOAJLMPI-CYBMUJFWSA-N 2 2 221.348 2.456 20 0 BEADLP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001579505177 986046846 /nfs/dbraw/zinc/04/68/46/986046846.db2.gz NQFBMPGQAHYRHJ-MZMNXDGSSA-N 2 2 216.328 2.040 20 0 BEADLP Cc1[nH+]cc(CNc2ccc3[nH]c[nH+]c3c2)n1C ZINC001461492120 986068315 /nfs/dbraw/zinc/06/83/15/986068315.db2.gz MMNSZJRJVJMQRX-UHFFFAOYSA-N 2 2 241.298 2.217 20 0 BEADLP Cc1cc(N(C)CC(C)(C)[NH3+])nc(C2CCC2)[nH+]1 ZINC001579618997 986131765 /nfs/dbraw/zinc/13/17/65/986131765.db2.gz ZMHWMIQQFHLSIK-UHFFFAOYSA-N 2 2 248.374 2.226 20 0 BEADLP Cc1ccc(C[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C2CC2)o1 ZINC001579691092 986192342 /nfs/dbraw/zinc/19/23/42/986192342.db2.gz KQPUDSXILYEDKB-DOMZBBRYSA-N 2 2 246.354 2.162 20 0 BEADLP Cc1ccc(C[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C2CC2)o1 ZINC001579691092 986192388 /nfs/dbraw/zinc/19/23/88/986192388.db2.gz KQPUDSXILYEDKB-DOMZBBRYSA-N 2 2 246.354 2.162 20 0 BEADLP Cc1cccc(C[NH2+][C@](C)(C[NH3+])C2CC2)c1F ZINC001579760740 986214937 /nfs/dbraw/zinc/21/49/37/986214937.db2.gz PUFRMTZEWXUMCD-CQSZACIVSA-N 2 2 236.334 2.351 20 0 BEADLP Cc1cccc2[nH]c(C[NH2+][C@@H]3CCC[NH2+]C3)cc21 ZINC001579775661 986215420 /nfs/dbraw/zinc/21/54/20/986215420.db2.gz DSETZSBGDBFOHN-GFCCVEGCSA-N 2 2 243.354 2.318 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cnccc2C)C1 ZINC001462415049 986383984 /nfs/dbraw/zinc/38/39/84/986383984.db2.gz IOHOPMNDSLFEJW-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cnccc2C)C1 ZINC001462415049 986384001 /nfs/dbraw/zinc/38/40/01/986384001.db2.gz IOHOPMNDSLFEJW-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC001137321706 986766192 /nfs/dbraw/zinc/76/61/92/986766192.db2.gz TUOKOFBENFPNNS-UHFFFAOYSA-N 2 2 223.364 2.015 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC001137321706 986766203 /nfs/dbraw/zinc/76/62/03/986766203.db2.gz TUOKOFBENFPNNS-UHFFFAOYSA-N 2 2 223.364 2.015 20 0 BEADLP CC[N@H+](Cc1ccnc(C)c1)C1CC[NH+](C)CC1 ZINC001137412832 986884294 /nfs/dbraw/zinc/88/42/94/986884294.db2.gz JNVSZZLZWLZLII-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+](Cc1ccnc(C)c1)C1CC[NH+](C)CC1 ZINC001137412832 986884302 /nfs/dbraw/zinc/88/43/02/986884302.db2.gz JNVSZZLZWLZLII-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP C[C@H](CC(F)(F)F)[N@H+](C)C1CC[NH+](C)CC1 ZINC001255645857 987040561 /nfs/dbraw/zinc/04/05/61/987040561.db2.gz KWQAEPAOMOZTHI-SECBINFHSA-N 2 2 238.297 2.353 20 0 BEADLP C[C@H](CC(F)(F)F)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255645857 987040574 /nfs/dbraw/zinc/04/05/74/987040574.db2.gz KWQAEPAOMOZTHI-SECBINFHSA-N 2 2 238.297 2.353 20 0 BEADLP CS[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000689761148 987188066 /nfs/dbraw/zinc/18/80/66/987188066.db2.gz AWSOSONYASPISK-CMPLNLGQSA-N 2 2 239.388 2.102 20 0 BEADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)o1)[NH+](C)C ZINC000697890572 987366183 /nfs/dbraw/zinc/36/61/83/987366183.db2.gz WVZGCFXPRLZUDG-VIFPVBQESA-N 2 2 230.739 2.363 20 0 BEADLP Cn1ccc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc21 ZINC001246084618 987380651 /nfs/dbraw/zinc/38/06/51/987380651.db2.gz KYVYJYYEJNQJSW-AWEZNQCLSA-N 2 2 243.354 2.020 20 0 BEADLP Cn1ccc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc21 ZINC001246084619 987382784 /nfs/dbraw/zinc/38/27/84/987382784.db2.gz KYVYJYYEJNQJSW-CQSZACIVSA-N 2 2 243.354 2.020 20 0 BEADLP CC(C)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246088208 987390046 /nfs/dbraw/zinc/39/00/46/987390046.db2.gz SISUQWQBHUJYPA-PQAZSJQKSA-N 2 2 242.382 2.491 20 0 BEADLP CCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088505 987391668 /nfs/dbraw/zinc/39/16/68/987391668.db2.gz KEHAYMOJBSASIZ-KBPBESRZSA-N 2 2 242.407 2.313 20 0 BEADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246093320 987402778 /nfs/dbraw/zinc/40/27/78/987402778.db2.gz SXKQUEIQEVADMZ-AGIUHOORSA-N 2 2 228.355 2.411 20 0 BEADLP CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246094567 987404262 /nfs/dbraw/zinc/40/42/62/987404262.db2.gz ZRZIXBDAHNYOGL-VWYCJHECSA-N 2 2 248.411 2.196 20 0 BEADLP CC[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)[C@H]1C ZINC001473403594 987425172 /nfs/dbraw/zinc/42/51/72/987425172.db2.gz VQMMSPNWYJKFDA-WCQYABFASA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)[C@H]1C ZINC001473403594 987425180 /nfs/dbraw/zinc/42/51/80/987425180.db2.gz VQMMSPNWYJKFDA-WCQYABFASA-N 2 2 221.348 2.312 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106237 987436020 /nfs/dbraw/zinc/43/60/20/987436020.db2.gz OQLPKGABNBPREF-JHJVBQTASA-N 2 2 236.359 2.188 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2F)C[C@@H]1C ZINC001246114435 987454705 /nfs/dbraw/zinc/45/47/05/987454705.db2.gz VSOCZIRTRBZEQW-FHUSYTEZSA-N 2 2 228.355 2.101 20 0 BEADLP C[C@H](CC(F)(F)F)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246115865 987455127 /nfs/dbraw/zinc/45/51/27/987455127.db2.gz SZJMREKMUFLTPA-BBBLOLIVSA-N 2 2 238.297 2.305 20 0 BEADLP Cn1c(C[NH2+][C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC001246165783 987528587 /nfs/dbraw/zinc/52/85/87/987528587.db2.gz LUHXFNRWHPWUPJ-ZDUSSCGKSA-N 2 2 243.354 2.020 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246168840 987530905 /nfs/dbraw/zinc/53/09/05/987530905.db2.gz LHTYJQHUSRAAEP-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N)c1 ZINC001246177677 987546693 /nfs/dbraw/zinc/54/66/93/987546693.db2.gz VQSNWXNAPGVWOR-GYSYKLTISA-N 2 2 233.359 2.060 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116428227 987566593 /nfs/dbraw/zinc/56/65/93/987566593.db2.gz AYUFJLNTFQNEDU-UONOGXRCSA-N 2 2 233.359 2.395 20 0 BEADLP c1cn(CC[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116428227 987566603 /nfs/dbraw/zinc/56/66/03/987566603.db2.gz AYUFJLNTFQNEDU-UONOGXRCSA-N 2 2 233.359 2.395 20 0 BEADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246195609 987589856 /nfs/dbraw/zinc/58/98/56/987589856.db2.gz YOSLBPYGJHCCKA-MGPQQGTHSA-N 2 2 242.407 2.169 20 0 BEADLP c1cc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc2o1 ZINC001246205439 987604581 /nfs/dbraw/zinc/60/45/81/987604581.db2.gz STIZDZBBQKWFIR-ZDUSSCGKSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C[NH2+]1 ZINC001246228972 987626052 /nfs/dbraw/zinc/62/60/52/987626052.db2.gz IZVNAZQQSJNWTQ-FZMZJTMJSA-N 2 2 243.354 2.398 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246240959 987641599 /nfs/dbraw/zinc/64/15/99/987641599.db2.gz SYIWPZWGXADWII-ZYHUDNBSSA-N 2 2 229.327 2.008 20 0 BEADLP COc1ccc(C(C)(C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246241473 987641829 /nfs/dbraw/zinc/64/18/29/987641829.db2.gz XPLACPWZNRBONG-CYBMUJFWSA-N 2 2 248.370 2.272 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(N)c1 ZINC001246298247 987693355 /nfs/dbraw/zinc/69/33/55/987693355.db2.gz VQSNWXNAPGVWOR-COPLHBTASA-N 2 2 233.359 2.060 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2noc3ccccc23)CC[NH2+]1 ZINC001246335543 987742649 /nfs/dbraw/zinc/74/26/49/987742649.db2.gz RKCDYWJTHPAWKM-QWRGUYRKSA-N 2 2 245.326 2.058 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C[C@@H](C)C1 ZINC001246335894 987745141 /nfs/dbraw/zinc/74/51/41/987745141.db2.gz JXFYJJOZVJLMHY-MROQNXINSA-N 2 2 242.432 2.106 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246359710 987766757 /nfs/dbraw/zinc/76/67/57/987766757.db2.gz VJXGHENXXKZWOX-BXUZGUMPSA-N 2 2 236.334 2.098 20 0 BEADLP Cc1cnccc1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC001246411157 987791179 /nfs/dbraw/zinc/79/11/79/987791179.db2.gz RILRYCHBKFRVAK-DZGCQCFKSA-N 2 2 245.370 2.183 20 0 BEADLP Cc1ncccc1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC001246444722 987803127 /nfs/dbraw/zinc/80/31/27/987803127.db2.gz KXVAZUBWOOFJNI-DZGCQCFKSA-N 2 2 245.370 2.183 20 0 BEADLP Fc1ccc(CC2([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246463226 987823375 /nfs/dbraw/zinc/82/33/75/987823375.db2.gz DWBLQONVOLALKF-CQSZACIVSA-N 2 2 248.345 2.242 20 0 BEADLP c1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246478925 987838634 /nfs/dbraw/zinc/83/86/34/987838634.db2.gz PUSKWENPNPOMPH-ONGXEEELSA-N 2 2 222.357 2.077 20 0 BEADLP CCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246507434 987861635 /nfs/dbraw/zinc/86/16/35/987861635.db2.gz PCFFEQCOTJSEST-DGCLKSJQSA-N 2 2 206.333 2.465 20 0 BEADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC001246508136 987862799 /nfs/dbraw/zinc/86/27/99/987862799.db2.gz POUNCWGMEJFSFG-CHWSQXEVSA-N 2 2 236.384 2.172 20 0 BEADLP CC(C)CCC[C@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246548242 987935739 /nfs/dbraw/zinc/93/57/39/987935739.db2.gz JSJCAOXQXYLGHW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)CCC[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246548242 987935761 /nfs/dbraw/zinc/93/57/61/987935761.db2.gz JSJCAOXQXYLGHW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551210 987947310 /nfs/dbraw/zinc/94/73/10/987947310.db2.gz XKSXNHJXUNGNRH-JSGCOSHPSA-N 2 2 230.355 2.358 20 0 BEADLP C[C@H]1C[N@H+]([C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC001246551210 987947327 /nfs/dbraw/zinc/94/73/27/987947327.db2.gz XKSXNHJXUNGNRH-JSGCOSHPSA-N 2 2 230.355 2.358 20 0 BEADLP CCCCC[C@H](CC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246557575 987975157 /nfs/dbraw/zinc/97/51/57/987975157.db2.gz MXDOAVQGXTXKOB-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP CCCCC[C@H](CC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246557575 987975166 /nfs/dbraw/zinc/97/51/66/987975166.db2.gz MXDOAVQGXTXKOB-KBPBESRZSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1cccc2c1C[N@H+]([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246569005 988041066 /nfs/dbraw/zinc/04/10/66/988041066.db2.gz UPWIGPLXTNBPFT-GXTWGEPZSA-N 2 2 230.355 2.451 20 0 BEADLP Cc1cccc2c1C[N@@H+]([C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246569005 988041081 /nfs/dbraw/zinc/04/10/81/988041081.db2.gz UPWIGPLXTNBPFT-GXTWGEPZSA-N 2 2 230.355 2.451 20 0 BEADLP CCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572691 988065660 /nfs/dbraw/zinc/06/56/60/988065660.db2.gz AVLZSXRILDDCBN-NEPJUHHUSA-N 2 2 216.344 2.328 20 0 BEADLP CCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246572691 988065676 /nfs/dbraw/zinc/06/56/76/988065676.db2.gz AVLZSXRILDDCBN-NEPJUHHUSA-N 2 2 216.344 2.328 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](C2CCCC2)C1 ZINC001246581026 988114310 /nfs/dbraw/zinc/11/43/10/988114310.db2.gz POQYPLDYSJCVAV-LBPRGKRZSA-N 2 2 214.328 2.082 20 0 BEADLP [NH3+]C[C@@]1(F)CCCC[N@H+](C2CCCC2)C1 ZINC001246581026 988114323 /nfs/dbraw/zinc/11/43/23/988114323.db2.gz POQYPLDYSJCVAV-LBPRGKRZSA-N 2 2 214.328 2.082 20 0 BEADLP CC1(C)CCC[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@H](F)C2)C1 ZINC001246583009 988120560 /nfs/dbraw/zinc/12/05/60/988120560.db2.gz IDKSRDNTZWNTGV-SRVKXCTJSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)CCC[C@H]([N@H+]2C[C@@H]([NH3+])C[C@H](F)C2)C1 ZINC001246583009 988120573 /nfs/dbraw/zinc/12/05/73/988120573.db2.gz IDKSRDNTZWNTGV-SRVKXCTJSA-N 2 2 228.355 2.326 20 0 BEADLP CC1(C)C[N@@H+]([C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246595085 988185708 /nfs/dbraw/zinc/18/57/08/988185708.db2.gz HQSCAIJMXOHGFM-SNVBAGLBSA-N 2 2 232.318 2.106 20 0 BEADLP CC1(C)C[N@H+]([C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001246595085 988185723 /nfs/dbraw/zinc/18/57/23/988185723.db2.gz HQSCAIJMXOHGFM-SNVBAGLBSA-N 2 2 232.318 2.106 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595832 988191923 /nfs/dbraw/zinc/19/19/23/988191923.db2.gz JANHVGONGNPGEA-MNOVXSKESA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)C(C)(C)C2)C[NH2+]1 ZINC001246595832 988191938 /nfs/dbraw/zinc/19/19/38/988191938.db2.gz JANHVGONGNPGEA-MNOVXSKESA-N 2 2 246.345 2.494 20 0 BEADLP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246612823 988235681 /nfs/dbraw/zinc/23/56/81/988235681.db2.gz IEYOFSGHEUNDFP-QWHCGFSZSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637001 988325048 /nfs/dbraw/zinc/32/50/48/988325048.db2.gz IIZLUQXGDFMESW-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637001 988325068 /nfs/dbraw/zinc/32/50/68/988325068.db2.gz IIZLUQXGDFMESW-AAVRWANBSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001246638629 988342063 /nfs/dbraw/zinc/34/20/63/988342063.db2.gz NBLRPAXAKYJHGL-FVQBIDKESA-N 2 2 244.382 2.362 20 0 BEADLP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001246638629 988342080 /nfs/dbraw/zinc/34/20/80/988342080.db2.gz NBLRPAXAKYJHGL-FVQBIDKESA-N 2 2 244.382 2.362 20 0 BEADLP C[C@H]1CC[C@H]([NH+]2CCC3(CC(F)C3)CC2)C[NH2+]1 ZINC001246644433 988357400 /nfs/dbraw/zinc/35/74/00/988357400.db2.gz PYTZHLFVZHATLY-AAEUAGOBSA-N 2 2 240.366 2.341 20 0 BEADLP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663868 988400941 /nfs/dbraw/zinc/40/09/41/988400941.db2.gz NIDYKEGLMBMONL-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663868 988400945 /nfs/dbraw/zinc/40/09/45/988400945.db2.gz NIDYKEGLMBMONL-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP CCCOC1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246793490 988475217 /nfs/dbraw/zinc/47/52/17/988475217.db2.gz ZTRDTCGFMFNDFK-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827739 988516222 /nfs/dbraw/zinc/51/62/22/988516222.db2.gz QMRDMBKNULLBJB-ABAIWWIYSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246827739 988516230 /nfs/dbraw/zinc/51/62/30/988516230.db2.gz QMRDMBKNULLBJB-ABAIWWIYSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863553 988607092 /nfs/dbraw/zinc/60/70/92/988607092.db2.gz QPRLIPPBQSKXJZ-AAEUAGOBSA-N 2 2 248.345 2.324 20 0 BEADLP C[C@H]1C[C@@H]([N@H+]2CCc3c(F)cccc3C2)CC[NH2+]1 ZINC001246863553 988607102 /nfs/dbraw/zinc/60/71/02/988607102.db2.gz QPRLIPPBQSKXJZ-AAEUAGOBSA-N 2 2 248.345 2.324 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001246870387 988625828 /nfs/dbraw/zinc/62/58/28/988625828.db2.gz ONMPXTAEJAWNHM-YIYTYNFBSA-N 2 2 248.292 2.141 20 0 BEADLP [NH3+][C@]12C[C@H]1C[N@H+](C1CCC(C(F)(F)F)CC1)C2 ZINC001246870387 988625839 /nfs/dbraw/zinc/62/58/39/988625839.db2.gz ONMPXTAEJAWNHM-YIYTYNFBSA-N 2 2 248.292 2.141 20 0 BEADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246922090 988737355 /nfs/dbraw/zinc/73/73/55/988737355.db2.gz UOKCZJFIRWWVPH-GXTWGEPZSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246922090 988737362 /nfs/dbraw/zinc/73/73/62/988737362.db2.gz UOKCZJFIRWWVPH-GXTWGEPZSA-N 2 2 224.392 2.351 20 0 BEADLP CO[C@@H]1C[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983887 988813693 /nfs/dbraw/zinc/81/36/93/988813693.db2.gz VTJDXDOLENTBCH-RFQIPJPRSA-N 2 2 242.407 2.105 20 0 BEADLP CO[C@@H]1C[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C[C@@H]1[NH3+] ZINC001246983887 988813696 /nfs/dbraw/zinc/81/36/96/988813696.db2.gz VTJDXDOLENTBCH-RFQIPJPRSA-N 2 2 242.407 2.105 20 0 BEADLP CCCCCC[C@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982951 988814449 /nfs/dbraw/zinc/81/44/49/988814449.db2.gz KQXMPFKAWPEVQP-RWMBFGLXSA-N 2 2 228.380 2.003 20 0 BEADLP CCCCCC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982951 988814451 /nfs/dbraw/zinc/81/44/51/988814451.db2.gz KQXMPFKAWPEVQP-RWMBFGLXSA-N 2 2 228.380 2.003 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982623 988814629 /nfs/dbraw/zinc/81/46/29/988814629.db2.gz GOKVLLCUOLYXOY-XDQVBPFNSA-N 2 2 242.407 2.249 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982623 988814632 /nfs/dbraw/zinc/81/46/32/988814632.db2.gz GOKVLLCUOLYXOY-XDQVBPFNSA-N 2 2 242.407 2.249 20 0 BEADLP CCn1c(CCC[NH3+])[nH+]c2ccc(F)c(F)c21 ZINC001247041715 988847713 /nfs/dbraw/zinc/84/77/13/988847713.db2.gz NQFNRGMHFFJKPU-UHFFFAOYSA-N 2 2 239.269 2.226 20 0 BEADLP COC1(C[NH2+]CC[N@@H+]2CCCC2(C)C)CCC1 ZINC001119301946 988911756 /nfs/dbraw/zinc/91/17/56/988911756.db2.gz LWQDYDMEJBOZCU-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP COC1(C[NH2+]CC[N@H+]2CCCC2(C)C)CCC1 ZINC001119301946 988911778 /nfs/dbraw/zinc/91/17/78/988911778.db2.gz LWQDYDMEJBOZCU-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC001119540122 989147784 /nfs/dbraw/zinc/14/77/84/989147784.db2.gz FTWBURQZLODQSD-AAEUAGOBSA-N 2 2 246.354 2.370 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cscc1Cl ZINC001325319681 989157503 /nfs/dbraw/zinc/15/75/03/989157503.db2.gz NIZVGQGQYYPZBC-QMMMGPOBSA-N 2 2 232.780 2.489 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccn1C1CC1 ZINC001326430567 989553452 /nfs/dbraw/zinc/55/34/52/989553452.db2.gz POVXSCRQQWIVOQ-LBPRGKRZSA-N 2 2 244.342 2.198 20 0 BEADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccnc1Cl ZINC001326474629 989563555 /nfs/dbraw/zinc/56/35/55/989563555.db2.gz YXYKESQKPBLMAU-ZJUUUORDSA-N 2 2 241.766 2.384 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)[nH+]c1 ZINC001121009041 990001710 /nfs/dbraw/zinc/00/17/10/990001710.db2.gz MZXGBMBLCNMHTB-HZSPNIEDSA-N 2 2 245.370 2.396 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)[nH+]c1 ZINC001121009041 990001720 /nfs/dbraw/zinc/00/17/20/990001720.db2.gz MZXGBMBLCNMHTB-HZSPNIEDSA-N 2 2 245.370 2.396 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258182691 991081928 /nfs/dbraw/zinc/08/19/28/991081928.db2.gz APZJIHQTAKGSTK-JSGCOSHPSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@@H](Cc1ccco1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258182691 991081932 /nfs/dbraw/zinc/08/19/32/991081932.db2.gz APZJIHQTAKGSTK-JSGCOSHPSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258185513 991086247 /nfs/dbraw/zinc/08/62/47/991086247.db2.gz PQINCYVTHOILAR-GFCCVEGCSA-N 2 2 246.310 2.274 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2nccc3ccccc32)C1 ZINC001206729740 991105527 /nfs/dbraw/zinc/10/55/27/991105527.db2.gz JCUWEZQZQBOCTO-UHFFFAOYSA-N 2 2 241.338 2.015 20 0 BEADLP CSCC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001258202900 991118827 /nfs/dbraw/zinc/11/88/27/991118827.db2.gz ZFZYDBFCIWDURH-SECBINFHSA-N 2 2 227.377 2.007 20 0 BEADLP CC1(C[NH3+])C[NH+](Cc2cccc3ncsc32)C1 ZINC001206729945 991125230 /nfs/dbraw/zinc/12/52/30/991125230.db2.gz LYPYBUHMCSRRDI-UHFFFAOYSA-N 2 2 247.367 2.077 20 0 BEADLP CCCCC[C@@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC001258437651 991377327 /nfs/dbraw/zinc/37/73/27/991377327.db2.gz HWILHPJRRACFEP-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258456587 991408450 /nfs/dbraw/zinc/40/84/50/991408450.db2.gz OHOMWDHIDPXPFJ-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258456587 991408459 /nfs/dbraw/zinc/40/84/59/991408459.db2.gz OHOMWDHIDPXPFJ-AAEUAGOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CC1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258470912 991435957 /nfs/dbraw/zinc/43/59/57/991435957.db2.gz SOPMEKCZHAQHFB-KWCYVHTRSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001258470912 991435964 /nfs/dbraw/zinc/43/59/64/991435964.db2.gz SOPMEKCZHAQHFB-KWCYVHTRSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001258470912 991435970 /nfs/dbraw/zinc/43/59/70/991435970.db2.gz SOPMEKCZHAQHFB-KWCYVHTRSA-N 2 2 222.376 2.201 20 0 BEADLP C[C@H](CC1CC1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001258470912 991435975 /nfs/dbraw/zinc/43/59/75/991435975.db2.gz SOPMEKCZHAQHFB-KWCYVHTRSA-N 2 2 222.376 2.201 20 0 BEADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1O ZINC001140574707 991674818 /nfs/dbraw/zinc/67/48/18/991674818.db2.gz OEMQTTAZVLRPQN-UHFFFAOYSA-N 2 2 248.370 2.227 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001561043966 991702887 /nfs/dbraw/zinc/70/28/87/991702887.db2.gz OBAZIACCHCTQIY-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC001561043966 991702893 /nfs/dbraw/zinc/70/28/93/991702893.db2.gz OBAZIACCHCTQIY-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP Cc1nc(N[C@@H]2CCCC[C@H]2[NH+](C)C)cc[nH+]1 ZINC001318780428 991715368 /nfs/dbraw/zinc/71/53/68/991715368.db2.gz UAOFPSXRSOWJOI-VXGBXAGGSA-N 2 2 234.347 2.070 20 0 BEADLP C[C@@]1([NH2+]Cc2ccc(C3CC3)cc2)CC[NH2+]C1 ZINC001573626777 992654011 /nfs/dbraw/zinc/65/40/11/992654011.db2.gz SDRCYNCQIDRYFN-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(F)F ZINC001262160398 992722966 /nfs/dbraw/zinc/72/29/66/992722966.db2.gz DHPXOBQHPVMBTI-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(F)F ZINC001262160398 992722977 /nfs/dbraw/zinc/72/29/77/992722977.db2.gz DHPXOBQHPVMBTI-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP CCc1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]c1 ZINC001262697672 993038142 /nfs/dbraw/zinc/03/81/42/993038142.db2.gz VCTXQYMHZZUGMD-HNNXBMFYSA-N 2 2 245.370 2.176 20 0 BEADLP CCc1ccc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]c1 ZINC001262697672 993038152 /nfs/dbraw/zinc/03/81/52/993038152.db2.gz VCTXQYMHZZUGMD-HNNXBMFYSA-N 2 2 245.370 2.176 20 0 BEADLP CC(C)c1cccc(C[NH2+]C[C@H]2CC[NH2+]2)c1 ZINC001575859585 993116147 /nfs/dbraw/zinc/11/61/47/993116147.db2.gz CWBOAAURLSPHAT-CQSZACIVSA-N 2 2 218.344 2.262 20 0 BEADLP CC[C@@H](C)C[C@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC000379437476 993242574 /nfs/dbraw/zinc/24/25/74/993242574.db2.gz MEQVXFVXJACDIY-YPMHNXCESA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC000379480853 993249901 /nfs/dbraw/zinc/24/99/01/993249901.db2.gz VNNIERBNGPYMME-UHFFFAOYSA-N 2 2 224.392 2.352 20 0 BEADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC001576379941 993284997 /nfs/dbraw/zinc/28/49/97/993284997.db2.gz CXIXSHAEDTZCEP-RYUDHWBXSA-N 2 2 245.326 2.043 20 0 BEADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccco1 ZINC000381150020 993374177 /nfs/dbraw/zinc/37/41/77/993374177.db2.gz AJVNKXPTIPZZDE-LBPRGKRZSA-N 2 2 224.348 2.490 20 0 BEADLP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccns1 ZINC001576690352 993396520 /nfs/dbraw/zinc/39/65/20/993396520.db2.gz JSUYAIBZNQVRBC-ZYHUDNBSSA-N 2 2 239.388 2.140 20 0 BEADLP Cn1cc[nH+]c1CC[NH2+]C1CCC(F)(F)CC1 ZINC000390012179 993775191 /nfs/dbraw/zinc/77/51/91/993775191.db2.gz OFIQQONWBDMGHV-UHFFFAOYSA-N 2 2 243.301 2.130 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570401 1170851288 /nfs/dbraw/zinc/85/12/88/1170851288.db2.gz SYDSHKHFCQSOOU-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001621570401 1170851300 /nfs/dbraw/zinc/85/13/00/1170851300.db2.gz SYDSHKHFCQSOOU-NWDGAFQWSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)C[NH+](CC(C)C)C[C@H]1CCC[NH2+]1 ZINC000042034620 1171202807 /nfs/dbraw/zinc/20/28/07/1171202807.db2.gz PHXHNEKZLWFERK-CYBMUJFWSA-N 2 2 212.381 2.352 20 0 BEADLP c1cn(-c2cccc(N[C@@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000043325875 1171281563 /nfs/dbraw/zinc/28/15/63/1171281563.db2.gz BVEIJXVVPCITKC-CYBMUJFWSA-N 2 2 242.326 2.036 20 0 BEADLP Cc1ccc(C)c(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC000049256701 1171687189 /nfs/dbraw/zinc/68/71/89/1171687189.db2.gz SOGFVRVTWOGKAX-UHFFFAOYSA-N 2 2 220.360 2.473 20 0 BEADLP Cc1ccc(C)c(C[N@H+](CC[NH3+])C(C)C)c1 ZINC000049256701 1171687200 /nfs/dbraw/zinc/68/72/00/1171687200.db2.gz SOGFVRVTWOGKAX-UHFFFAOYSA-N 2 2 220.360 2.473 20 0 BEADLP CCc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])C3)c[nH]c21 ZINC000050228021 1171777613 /nfs/dbraw/zinc/77/76/13/1171777613.db2.gz VCJSDSGXOQJZKO-CYBMUJFWSA-N 2 2 243.354 2.263 20 0 BEADLP CCc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])C3)c[nH]c21 ZINC000050228021 1171777623 /nfs/dbraw/zinc/77/76/23/1171777623.db2.gz VCJSDSGXOQJZKO-CYBMUJFWSA-N 2 2 243.354 2.263 20 0 BEADLP CCC(CC)(CCO)[NH2+]CC[NH+]1CCCCC1 ZINC000338376927 168320116 /nfs/dbraw/zinc/32/01/16/168320116.db2.gz MJLLMJLVMHQRKF-UHFFFAOYSA-N 2 2 242.407 2.003 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235354089 398145741 /nfs/dbraw/zinc/14/57/41/398145741.db2.gz UBIBNSPZWFWDQY-OCCSQVGLSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235354089 398145744 /nfs/dbraw/zinc/14/57/44/398145744.db2.gz UBIBNSPZWFWDQY-OCCSQVGLSA-N 2 2 218.344 2.082 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422939155 398158462 /nfs/dbraw/zinc/15/84/62/398158462.db2.gz HVDBACQNMRYLKC-ZIAGYGMSSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422939150 398158504 /nfs/dbraw/zinc/15/85/04/398158504.db2.gz HVDBACQNMRYLKC-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP CSCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245628682 398167726 /nfs/dbraw/zinc/16/77/26/398167726.db2.gz PLYQLPCKNDMLQN-NWDGAFQWSA-N 2 2 239.388 2.129 20 0 BEADLP CSCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245628682 398167728 /nfs/dbraw/zinc/16/77/28/398167728.db2.gz PLYQLPCKNDMLQN-NWDGAFQWSA-N 2 2 239.388 2.129 20 0 BEADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cs1 ZINC000296485985 178036618 /nfs/dbraw/zinc/03/66/18/178036618.db2.gz QHZHRZWFTQIOBT-SNVBAGLBSA-N 2 2 235.356 2.431 20 0 BEADLP Cc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)nc1 ZINC000649902539 398176351 /nfs/dbraw/zinc/17/63/51/398176351.db2.gz AROLXXWCSGPONG-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)nc1 ZINC000649902539 398176354 /nfs/dbraw/zinc/17/63/54/398176354.db2.gz AROLXXWCSGPONG-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)nc1 ZINC000649902539 398176358 /nfs/dbraw/zinc/17/63/58/398176358.db2.gz AROLXXWCSGPONG-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)nc1 ZINC000649902539 398176360 /nfs/dbraw/zinc/17/63/60/398176360.db2.gz AROLXXWCSGPONG-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP FC1(F)C[C@]12CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000649907412 398180307 /nfs/dbraw/zinc/18/03/07/398180307.db2.gz QUKVLMSAVHENCF-NSHDSACASA-N 2 2 241.285 2.004 20 0 BEADLP FC1(F)C[C@]12CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000649907412 398180312 /nfs/dbraw/zinc/18/03/12/398180312.db2.gz QUKVLMSAVHENCF-NSHDSACASA-N 2 2 241.285 2.004 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000415118784 398163596 /nfs/dbraw/zinc/16/35/96/398163596.db2.gz HPMDOFPTSFXHAV-RYUDHWBXSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000415118784 398163598 /nfs/dbraw/zinc/16/35/98/398163598.db2.gz HPMDOFPTSFXHAV-RYUDHWBXSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@H]1CCCC[NH2+]1 ZINC000423174149 398164066 /nfs/dbraw/zinc/16/40/66/398164066.db2.gz BLFNDFKFAGZCCW-UMSGYPCISA-N 2 2 228.355 2.387 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@H](C)O2)c[nH+]1 ZINC000453623434 398166087 /nfs/dbraw/zinc/16/60/87/398166087.db2.gz BOOHILJTKDKVHD-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313304742 398194106 /nfs/dbraw/zinc/19/41/06/398194106.db2.gz RUKCNKWUQQSTEP-AAEUAGOBSA-N 2 2 235.375 2.377 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)[C@H]1C ZINC000336712901 398204991 /nfs/dbraw/zinc/20/49/91/398204991.db2.gz VHKJNFMYZVHXSO-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc(NC2CC([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000360106770 178153898 /nfs/dbraw/zinc/15/38/98/178153898.db2.gz FIFPRGONZPATOG-UHFFFAOYSA-N 2 2 246.358 2.214 20 0 BEADLP Cc1cc(NCC[C@@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000110798653 178162800 /nfs/dbraw/zinc/16/28/00/178162800.db2.gz NEUNYGAFGHDLOF-LBPRGKRZSA-N 2 2 248.374 2.320 20 0 BEADLP Cc1cc(NCC[C@H](C)[NH+]2CCCCC2)nc[nH+]1 ZINC000302140680 178162931 /nfs/dbraw/zinc/16/29/31/178162931.db2.gz JERMUECSLBELPL-ZDUSSCGKSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NC[C@@H]([NH3+])C2CC2)nc(C(C)C)[nH+]1 ZINC000113502723 178164586 /nfs/dbraw/zinc/16/45/86/178164586.db2.gz DCQGABRVWOGODA-LLVKDONJSA-N 2 2 234.347 2.058 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)C(C)C ZINC000163707136 538930279 /nfs/dbraw/zinc/93/02/79/538930279.db2.gz XMHKGEBCSMSPCW-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc(C)[nH+]1 ZINC000042338370 178189997 /nfs/dbraw/zinc/18/99/97/178189997.db2.gz XVCYZSTXYMINCH-QWHCGFSZSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(C)[nH+]1 ZINC000042338370 178190000 /nfs/dbraw/zinc/19/00/00/178190000.db2.gz XVCYZSTXYMINCH-QWHCGFSZSA-N 2 2 246.358 2.132 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421391139 192328396 /nfs/dbraw/zinc/32/83/96/192328396.db2.gz WDWZFDPMPHCGBS-NHYWBVRUSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421391139 192328398 /nfs/dbraw/zinc/32/83/98/192328398.db2.gz WDWZFDPMPHCGBS-NHYWBVRUSA-N 2 2 247.386 2.128 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000165912020 538938199 /nfs/dbraw/zinc/93/81/99/538938199.db2.gz SSUCTAXJLDISFV-JQWIXIFHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)C ZINC000165912020 538938200 /nfs/dbraw/zinc/93/82/00/538938200.db2.gz SSUCTAXJLDISFV-JQWIXIFHSA-N 2 2 210.365 2.105 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368087836 168363735 /nfs/dbraw/zinc/36/37/35/168363735.db2.gz CNLKNOSGECZDHA-LLVKDONJSA-N 2 2 221.348 2.293 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368087836 168363736 /nfs/dbraw/zinc/36/37/36/168363736.db2.gz CNLKNOSGECZDHA-LLVKDONJSA-N 2 2 221.348 2.293 20 0 BEADLP CCC(CC)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000310027684 168363862 /nfs/dbraw/zinc/36/38/62/168363862.db2.gz QDABBHQPRLLFMQ-GFCCVEGCSA-N 2 2 221.348 2.224 20 0 BEADLP C[N@H+](CCOC1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000576756113 365677827 /nfs/dbraw/zinc/67/78/27/365677827.db2.gz NAROKIFJBQSINR-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP C[N@@H+](CCOC1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000576756113 365677830 /nfs/dbraw/zinc/67/78/30/365677830.db2.gz NAROKIFJBQSINR-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1[nH+]cc(CNc2[nH+]cccc2C)n1C ZINC000576767876 365681953 /nfs/dbraw/zinc/68/19/53/365681953.db2.gz IVYDCAACAUTSTG-UHFFFAOYSA-N 2 2 216.288 2.044 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634229 365686393 /nfs/dbraw/zinc/68/63/93/365686393.db2.gz YQZUZWSLMDFHHU-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634229 365686396 /nfs/dbraw/zinc/68/63/96/365686396.db2.gz YQZUZWSLMDFHHU-YNEHKIRRSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000162218715 349592117 /nfs/dbraw/zinc/59/21/17/349592117.db2.gz JGRSNDSZABPNLN-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000162218715 349592121 /nfs/dbraw/zinc/59/21/21/349592121.db2.gz JGRSNDSZABPNLN-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000162218715 349592123 /nfs/dbraw/zinc/59/21/23/349592123.db2.gz JGRSNDSZABPNLN-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000162218715 349592127 /nfs/dbraw/zinc/59/21/27/349592127.db2.gz JGRSNDSZABPNLN-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189084900 346857185 /nfs/dbraw/zinc/85/71/85/346857185.db2.gz WYJFFPBEGVOONI-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189084900 346857188 /nfs/dbraw/zinc/85/71/88/346857188.db2.gz WYJFFPBEGVOONI-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP C/C=C\C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000624197328 342788483 /nfs/dbraw/zinc/78/84/83/342788483.db2.gz JKKOTEYZTVBFIJ-IHWYPQMZSA-N 2 2 245.370 2.212 20 0 BEADLP Cn1cc[nH+]c1-c1ccc(C[C@@H]2CC[NH2+]C2)cc1 ZINC000630051398 361914758 /nfs/dbraw/zinc/91/47/58/361914758.db2.gz AGPWWKLIMNETHW-ZDUSSCGKSA-N 2 2 241.338 2.239 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040671994 538972717 /nfs/dbraw/zinc/97/27/17/538972717.db2.gz IODVGRCQFCJVOE-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040671994 538972718 /nfs/dbraw/zinc/97/27/18/538972718.db2.gz IODVGRCQFCJVOE-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336479883 342807631 /nfs/dbraw/zinc/80/76/31/342807631.db2.gz UAXSQQANBZSOBY-GWCFXTLKSA-N 2 2 233.359 2.435 20 0 BEADLP CC1(C)CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336479883 342807633 /nfs/dbraw/zinc/80/76/33/342807633.db2.gz UAXSQQANBZSOBY-GWCFXTLKSA-N 2 2 233.359 2.435 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044725725 538990259 /nfs/dbraw/zinc/99/02/59/538990259.db2.gz QFHFZMQIAVEXPO-NSHDSACASA-N 2 2 217.316 2.039 20 0 BEADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044725725 538990260 /nfs/dbraw/zinc/99/02/60/538990260.db2.gz QFHFZMQIAVEXPO-NSHDSACASA-N 2 2 217.316 2.039 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000381419582 539000336 /nfs/dbraw/zinc/00/03/36/539000336.db2.gz WWZRDGNWYFIDPF-HZSPNIEDSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000381419582 539000337 /nfs/dbraw/zinc/00/03/37/539000337.db2.gz WWZRDGNWYFIDPF-HZSPNIEDSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)C)C1CC1 ZINC000390469230 539021987 /nfs/dbraw/zinc/02/19/87/539021987.db2.gz IQDCEZDQGRNBBW-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)C)C1CC1 ZINC000390469230 539021988 /nfs/dbraw/zinc/02/19/88/539021988.db2.gz IQDCEZDQGRNBBW-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948545 539017319 /nfs/dbraw/zinc/01/73/19/539017319.db2.gz HPAUANATDMMYES-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000062948545 539017320 /nfs/dbraw/zinc/01/73/20/539017320.db2.gz HPAUANATDMMYES-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1CC[C@@H]([N@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948531 539017446 /nfs/dbraw/zinc/01/74/46/539017446.db2.gz CPSPBZDFXOPRSP-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP C[C@H]1CC[C@@H]([N@@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948531 539017448 /nfs/dbraw/zinc/01/74/48/539017448.db2.gz CPSPBZDFXOPRSP-WCQYABFASA-N 2 2 210.365 2.391 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000308786235 342841330 /nfs/dbraw/zinc/84/13/30/342841330.db2.gz FQCPJTFBUYOTGD-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000308786235 342841331 /nfs/dbraw/zinc/84/13/31/342841331.db2.gz FQCPJTFBUYOTGD-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000335645670 136243224 /nfs/dbraw/zinc/24/32/24/136243224.db2.gz HFKICBJTQNCTMF-CYBMUJFWSA-N 2 2 236.334 2.364 20 0 BEADLP CC[NH+](CC)CCNc1cccc(C)[nH+]1 ZINC000034597324 342881641 /nfs/dbraw/zinc/88/16/41/342881641.db2.gz LFSQILMNCXQNOL-UHFFFAOYSA-N 2 2 207.321 2.144 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCC2CCCC2)n1C ZINC000584005262 342900326 /nfs/dbraw/zinc/90/03/26/342900326.db2.gz MTBPDKWWWBYUHM-UHFFFAOYSA-N 2 2 221.348 2.398 20 0 BEADLP CCCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320253 342926955 /nfs/dbraw/zinc/92/69/55/342926955.db2.gz JYXIWNXSCDVXHB-RYUDHWBXSA-N 2 2 209.337 2.440 20 0 BEADLP C[NH+](C)C1(C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000561199558 398338226 /nfs/dbraw/zinc/33/82/26/398338226.db2.gz BQMCFEUNXITQIE-UHFFFAOYSA-N 2 2 244.382 2.085 20 0 BEADLP Cc1[nH+]cn(CCc2cccc(C)[nH+]2)c1C ZINC000335514336 398341497 /nfs/dbraw/zinc/34/14/97/398341497.db2.gz OEELCEGNYGLVPZ-UHFFFAOYSA-N 2 2 215.300 2.446 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655688169 488189404 /nfs/dbraw/zinc/18/94/04/488189404.db2.gz OJSCMVCOVRXTHW-GRYCIOLGSA-N 2 2 239.388 2.145 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000304561410 259335437 /nfs/dbraw/zinc/33/54/37/259335437.db2.gz VUSOMNWEZWHKCP-NWDGAFQWSA-N 2 2 239.388 2.004 20 0 BEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@@H](C)F ZINC000351868684 136258709 /nfs/dbraw/zinc/25/87/09/136258709.db2.gz GJEBGUAIJWIEBV-DGCLKSJQSA-N 2 2 239.338 2.404 20 0 BEADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@@H](C)F ZINC000351868684 136258710 /nfs/dbraw/zinc/25/87/10/136258710.db2.gz GJEBGUAIJWIEBV-DGCLKSJQSA-N 2 2 239.338 2.404 20 0 BEADLP C[C@H](F)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351875404 136261065 /nfs/dbraw/zinc/26/10/65/136261065.db2.gz LPONVKOGHCQZDG-WDEREUQCSA-N 2 2 225.311 2.337 20 0 BEADLP C[C@H](F)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000351875404 136261066 /nfs/dbraw/zinc/26/10/66/136261066.db2.gz LPONVKOGHCQZDG-WDEREUQCSA-N 2 2 225.311 2.337 20 0 BEADLP Clc1cccc(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000059533422 343045644 /nfs/dbraw/zinc/04/56/44/343045644.db2.gz PWSBQOCAPRCNCE-ZDUSSCGKSA-N 2 2 238.762 2.224 20 0 BEADLP CCCC(CCC)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088396 343060553 /nfs/dbraw/zinc/06/05/53/343060553.db2.gz MNLXJBFCKXRMMJ-NSHDSACASA-N 2 2 200.370 2.495 20 0 BEADLP Cc1ccc(NC(=O)CC[NH2+]C(C)C)c(C)[nH+]1 ZINC000094666070 343156693 /nfs/dbraw/zinc/15/66/93/343156693.db2.gz GGBDYHWYHLWZHJ-UHFFFAOYSA-N 2 2 235.331 2.025 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000389260987 488205688 /nfs/dbraw/zinc/20/56/88/488205688.db2.gz DFZSMKCJSMLQQT-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000389260987 488205692 /nfs/dbraw/zinc/20/56/92/488205692.db2.gz DFZSMKCJSMLQQT-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccnc2ccccc12 ZINC000123774618 343165774 /nfs/dbraw/zinc/16/57/74/343165774.db2.gz NJGJYNCGKUYVCM-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccnc2ccccc12 ZINC000123774618 343165776 /nfs/dbraw/zinc/16/57/76/343165776.db2.gz NJGJYNCGKUYVCM-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167327998 343209275 /nfs/dbraw/zinc/20/92/75/343209275.db2.gz NCPBAIXRBTYYQR-MNOVXSKESA-N 2 2 226.389 2.219 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000113603391 346931114 /nfs/dbraw/zinc/93/11/14/346931114.db2.gz XTFXEPWBDOPOMY-JTQLQIEISA-N 2 2 210.296 2.167 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000113603391 346931117 /nfs/dbraw/zinc/93/11/17/346931117.db2.gz XTFXEPWBDOPOMY-JTQLQIEISA-N 2 2 210.296 2.167 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cccc2ncccc12 ZINC000634688583 343248986 /nfs/dbraw/zinc/24/89/86/343248986.db2.gz WZOVCFVKJCJQAJ-DGCLKSJQSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cccc2ncccc12 ZINC000634688583 343248988 /nfs/dbraw/zinc/24/89/88/343248988.db2.gz WZOVCFVKJCJQAJ-DGCLKSJQSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069663061 343288007 /nfs/dbraw/zinc/28/80/07/343288007.db2.gz MRTZJDFIQMLHTC-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000069663061 343288009 /nfs/dbraw/zinc/28/80/09/343288009.db2.gz MRTZJDFIQMLHTC-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCCOC1 ZINC000348713271 136294035 /nfs/dbraw/zinc/29/40/35/136294035.db2.gz KHWAFZIMXJCOJK-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCCOC1 ZINC000348713271 136294036 /nfs/dbraw/zinc/29/40/36/136294036.db2.gz KHWAFZIMXJCOJK-HNNXBMFYSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@H](C[NH2+]C1CC(c2ccccc2)C1)[NH+](C)C ZINC000038087758 343369772 /nfs/dbraw/zinc/36/97/72/343369772.db2.gz KLMWXTHINLDIQJ-LRVUVFPRSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088012 343370012 /nfs/dbraw/zinc/37/00/12/343370012.db2.gz BPOIYWUFGQYLHC-NEPJUHHUSA-N 2 2 224.348 2.140 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)CC)C1 ZINC000070562933 343334947 /nfs/dbraw/zinc/33/49/47/343334947.db2.gz YARXGHGLDRQXHR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)CC)C1 ZINC000070562933 343334949 /nfs/dbraw/zinc/33/49/49/343334949.db2.gz YARXGHGLDRQXHR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCc1cnc(C[NH2+]CC([NH3+])(CC)CC)s1 ZINC000234145223 343346268 /nfs/dbraw/zinc/34/62/68/343346268.db2.gz YYRYWLMVXIKBQK-UHFFFAOYSA-N 2 2 241.404 2.313 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)n1 ZINC000335608048 136298602 /nfs/dbraw/zinc/29/86/02/136298602.db2.gz CSKQIQZDEONAFW-DZGCQCFKSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C)n1 ZINC000335608048 136298603 /nfs/dbraw/zinc/29/86/03/136298603.db2.gz CSKQIQZDEONAFW-DZGCQCFKSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335641521 136308433 /nfs/dbraw/zinc/30/84/33/136308433.db2.gz HACWXNZIJLUQDE-CQSZACIVSA-N 2 2 218.344 2.227 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335641520 136308529 /nfs/dbraw/zinc/30/85/29/136308529.db2.gz HACWXNZIJLUQDE-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP c1nc(C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000040421085 343402492 /nfs/dbraw/zinc/40/24/92/343402492.db2.gz VXKPVCIKEOJFIZ-UHFFFAOYSA-N 2 2 239.388 2.109 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335694469 136326781 /nfs/dbraw/zinc/32/67/81/136326781.db2.gz CUDBMLDBMOYGQA-ZYHUDNBSSA-N 2 2 219.332 2.245 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309163343 343440272 /nfs/dbraw/zinc/44/02/72/343440272.db2.gz HWFJVEYXBYWCPI-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309163343 343440273 /nfs/dbraw/zinc/44/02/73/343440273.db2.gz HWFJVEYXBYWCPI-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000335738771 136351660 /nfs/dbraw/zinc/35/16/60/136351660.db2.gz CYVYVYSECNOOLZ-LLVKDONJSA-N 2 2 228.299 2.013 20 0 BEADLP CC(C)C[C@@H](C)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349293028 136337082 /nfs/dbraw/zinc/33/70/82/136337082.db2.gz DEXQASICMFDGKM-CYBMUJFWSA-N 2 2 224.392 2.449 20 0 BEADLP CC(C)C[C@@H](C)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349293028 136337083 /nfs/dbraw/zinc/33/70/83/136337083.db2.gz DEXQASICMFDGKM-CYBMUJFWSA-N 2 2 224.392 2.449 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C)[C@H](O)C2)c[nH+]1 ZINC000349354833 136342561 /nfs/dbraw/zinc/34/25/61/136342561.db2.gz UBTKDBFPNNNKJA-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C)[C@H](O)C2)c[nH+]1 ZINC000349354833 136342562 /nfs/dbraw/zinc/34/25/62/136342562.db2.gz UBTKDBFPNNNKJA-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP C[N@@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000335877271 136356439 /nfs/dbraw/zinc/35/64/39/136356439.db2.gz LVYNRMIPGWOBLM-UHFFFAOYSA-N 2 2 231.343 2.146 20 0 BEADLP C[N@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000335877271 136356440 /nfs/dbraw/zinc/35/64/40/136356440.db2.gz LVYNRMIPGWOBLM-UHFFFAOYSA-N 2 2 231.343 2.146 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000379948009 365759967 /nfs/dbraw/zinc/75/99/67/365759967.db2.gz RRSAXNBVTYVVSY-AGIUHOORSA-N 2 2 212.381 2.208 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)C(C)C)[C@@H](C)C1 ZINC000379948009 365759973 /nfs/dbraw/zinc/75/99/73/365759973.db2.gz RRSAXNBVTYVVSY-AGIUHOORSA-N 2 2 212.381 2.208 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000070975805 343579762 /nfs/dbraw/zinc/57/97/62/343579762.db2.gz ZABWVWAMFNNNHN-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000070975805 343579763 /nfs/dbraw/zinc/57/97/63/343579763.db2.gz ZABWVWAMFNNNHN-KGLIPLIRSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574639 343603267 /nfs/dbraw/zinc/60/32/67/343603267.db2.gz FVEOGRVZVMUETE-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCC1(C)C ZINC000086857333 343630300 /nfs/dbraw/zinc/63/03/00/343630300.db2.gz GYGXKVVQWOIUEB-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCC1(C)C ZINC000086857333 343630302 /nfs/dbraw/zinc/63/03/02/343630302.db2.gz GYGXKVVQWOIUEB-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336663802 537816158 /nfs/dbraw/zinc/81/61/58/537816158.db2.gz KYYVBDUUYKZNLG-STQMWFEESA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309163344 346974488 /nfs/dbraw/zinc/97/44/88/346974488.db2.gz HWFJVEYXBYWCPI-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309163344 346974491 /nfs/dbraw/zinc/97/44/91/346974491.db2.gz HWFJVEYXBYWCPI-QNWHQSFQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC[N@H+](C)CCOC ZINC000651695222 537821833 /nfs/dbraw/zinc/82/18/33/537821833.db2.gz BIGKGLUEMXURLB-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC[N@@H+](C)CCOC ZINC000651695222 537821841 /nfs/dbraw/zinc/82/18/41/537821841.db2.gz BIGKGLUEMXURLB-KGLIPLIRSA-N 2 2 242.407 2.123 20 0 BEADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336663800 537817221 /nfs/dbraw/zinc/81/72/21/537817221.db2.gz KYYVBDUUYKZNLG-QWHCGFSZSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336726994 537829877 /nfs/dbraw/zinc/82/98/77/537829877.db2.gz BXTKRDIEAPPTBO-KGYLQXTDSA-N 2 2 219.332 2.050 20 0 BEADLP C(=C\c1ccccc1)\C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733839 344114562 /nfs/dbraw/zinc/11/45/62/344114562.db2.gz PLBQXKPSUSPTCN-RQTGCPSESA-N 2 2 242.366 2.432 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000130097012 344218386 /nfs/dbraw/zinc/21/83/86/344218386.db2.gz MRKIGKFAPOWUDZ-VXGBXAGGSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000130264635 344219818 /nfs/dbraw/zinc/21/98/18/344219818.db2.gz FVRUJZQSCLLBSR-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000622003956 344181318 /nfs/dbraw/zinc/18/13/18/344181318.db2.gz IFRAKZPNSQJQAG-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000622003956 344181320 /nfs/dbraw/zinc/18/13/20/344181320.db2.gz IFRAKZPNSQJQAG-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336748709 537841660 /nfs/dbraw/zinc/84/16/60/537841660.db2.gz DOJZZCHRIYYPAE-CHWSQXEVSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336748709 537841667 /nfs/dbraw/zinc/84/16/67/537841667.db2.gz DOJZZCHRIYYPAE-CHWSQXEVSA-N 2 2 210.365 2.105 20 0 BEADLP Fc1c[nH+]ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000641362255 362376203 /nfs/dbraw/zinc/37/62/03/362376203.db2.gz DEAMIQUAVXOACA-LBPRGKRZSA-N 2 2 249.333 2.285 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCC1 ZINC000133302402 344317137 /nfs/dbraw/zinc/31/71/37/344317137.db2.gz XRRCJXMGQJGBNP-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000133302402 344317139 /nfs/dbraw/zinc/31/71/39/344317139.db2.gz XRRCJXMGQJGBNP-ZYHUDNBSSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cccc2cccnc21 ZINC000385100195 344326553 /nfs/dbraw/zinc/32/65/53/344326553.db2.gz PCPBCOFNHSRUFR-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cccc2cccnc21 ZINC000385100195 344326555 /nfs/dbraw/zinc/32/65/55/344326555.db2.gz PCPBCOFNHSRUFR-BXUZGUMPSA-N 2 2 241.338 2.156 20 0 BEADLP Fc1c[nH+]ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000641388999 362387092 /nfs/dbraw/zinc/38/70/92/362387092.db2.gz ZWMLVGARQWFUMX-LBPRGKRZSA-N 2 2 249.333 2.143 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336763876 537845511 /nfs/dbraw/zinc/84/55/11/537845511.db2.gz MOQAESYUASAZER-MCIONIFRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336763876 537845518 /nfs/dbraw/zinc/84/55/18/537845518.db2.gz MOQAESYUASAZER-MCIONIFRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(F)cc2cccnc21 ZINC000385328682 344394129 /nfs/dbraw/zinc/39/41/29/344394129.db2.gz OQFIHDANBWRGJQ-UHFFFAOYSA-N 2 2 247.317 2.155 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(F)cc2cccnc21 ZINC000385328682 344394132 /nfs/dbraw/zinc/39/41/32/344394132.db2.gz OQFIHDANBWRGJQ-UHFFFAOYSA-N 2 2 247.317 2.155 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cc[nH+]cc2F)C[C@@H]1C ZINC000641471062 362439148 /nfs/dbraw/zinc/43/91/48/362439148.db2.gz USXUOMPQHPLUPR-WDEREUQCSA-N 2 2 237.322 2.140 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cc[nH+]cc2F)C[C@@H]1C ZINC000641471062 362439151 /nfs/dbraw/zinc/43/91/51/362439151.db2.gz USXUOMPQHPLUPR-WDEREUQCSA-N 2 2 237.322 2.140 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000049551909 344652789 /nfs/dbraw/zinc/65/27/89/344652789.db2.gz NQWRJQMMDOEIDT-JTQLQIEISA-N 2 2 210.321 2.018 20 0 BEADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227712 344744134 /nfs/dbraw/zinc/74/41/34/344744134.db2.gz CZQXXFJWHSPESL-STQMWFEESA-N 2 2 222.307 2.310 20 0 BEADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227712 344744136 /nfs/dbraw/zinc/74/41/36/344744136.db2.gz CZQXXFJWHSPESL-STQMWFEESA-N 2 2 222.307 2.310 20 0 BEADLP CCc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc[nH+]1 ZINC000383984593 537857312 /nfs/dbraw/zinc/85/73/12/537857312.db2.gz DRXSXNXTPHKCJM-NSHDSACASA-N 2 2 236.363 2.180 20 0 BEADLP CCc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc[nH+]1 ZINC000383984593 537857317 /nfs/dbraw/zinc/85/73/17/537857317.db2.gz DRXSXNXTPHKCJM-NSHDSACASA-N 2 2 236.363 2.180 20 0 BEADLP Cc1scc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000631089637 344895866 /nfs/dbraw/zinc/89/58/66/344895866.db2.gz XCNVRTSAAPMTOD-NOZJJQNGSA-N 2 2 238.400 2.405 20 0 BEADLP Cc1scc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000631089637 344895868 /nfs/dbraw/zinc/89/58/68/344895868.db2.gz XCNVRTSAAPMTOD-NOZJJQNGSA-N 2 2 238.400 2.405 20 0 BEADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000044353220 345032937 /nfs/dbraw/zinc/03/29/37/345032937.db2.gz YVIJWICVUPUSSG-UHFFFAOYSA-N 2 2 233.315 2.355 20 0 BEADLP C[N@H+](CC12CC(C1)C[NH2+]2)C1CCCCCC1 ZINC000634991364 345176892 /nfs/dbraw/zinc/17/68/92/345176892.db2.gz BEISMQLSOKDFDM-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCCCC1 ZINC000634991364 345176894 /nfs/dbraw/zinc/17/68/94/345176894.db2.gz BEISMQLSOKDFDM-UHFFFAOYSA-N 2 2 222.376 2.393 20 0 BEADLP FC(F)(F)[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991776 345178579 /nfs/dbraw/zinc/17/85/79/345178579.db2.gz RGJRDGORZDNXHJ-HSOILSAZSA-N 2 2 248.292 2.013 20 0 BEADLP FC(F)(F)[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991776 345178581 /nfs/dbraw/zinc/17/85/81/345178581.db2.gz RGJRDGORZDNXHJ-HSOILSAZSA-N 2 2 248.292 2.013 20 0 BEADLP Cc1cccc(C[N@@H+](C)CC23CC(C2)C[NH2+]3)c1 ZINC000634991996 345179133 /nfs/dbraw/zinc/17/91/33/345179133.db2.gz ZFZZFSSAFJJJQN-UHFFFAOYSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+](C)CC23CC(C2)C[NH2+]3)c1 ZINC000634991996 345179135 /nfs/dbraw/zinc/17/91/35/345179135.db2.gz ZFZZFSSAFJJJQN-UHFFFAOYSA-N 2 2 230.355 2.179 20 0 BEADLP CCC[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993427 345190542 /nfs/dbraw/zinc/19/05/42/345190542.db2.gz UKTYSJWYJBAHBA-HSBZDZAISA-N 2 2 222.376 2.251 20 0 BEADLP CCC[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993427 345190546 /nfs/dbraw/zinc/19/05/46/345190546.db2.gz UKTYSJWYJBAHBA-HSBZDZAISA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994613 345181565 /nfs/dbraw/zinc/18/15/65/345181565.db2.gz IYFXJRZXLQVYES-HEKVYRDFSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994613 345181568 /nfs/dbraw/zinc/18/15/68/345181568.db2.gz IYFXJRZXLQVYES-HEKVYRDFSA-N 2 2 222.376 2.105 20 0 BEADLP c1cc2c(cc1NCC13CC(C1)C[NH2+]3)CCC[NH2+]2 ZINC000634994534 345181908 /nfs/dbraw/zinc/18/19/08/345181908.db2.gz GVDSERAAVRGMTE-UHFFFAOYSA-N 2 2 243.354 2.209 20 0 BEADLP C(C1CC1)[N@H+](CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634994366 345181922 /nfs/dbraw/zinc/18/19/22/345181922.db2.gz AKBHAPHZKLFHOT-UHFFFAOYSA-N 2 2 234.387 2.251 20 0 BEADLP C(C1CC1)[N@@H+](CC1CCC1)CC12CC(C1)C[NH2+]2 ZINC000634994366 345181925 /nfs/dbraw/zinc/18/19/25/345181925.db2.gz AKBHAPHZKLFHOT-UHFFFAOYSA-N 2 2 234.387 2.251 20 0 BEADLP Fc1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634992851 345187856 /nfs/dbraw/zinc/18/78/56/345187856.db2.gz DBUHCOYTPOPSOC-UHFFFAOYSA-N 2 2 246.329 2.156 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992895 345187934 /nfs/dbraw/zinc/18/79/34/345187934.db2.gz FJNCTIAMIQHXCL-FEPKRQSRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634992895 345187938 /nfs/dbraw/zinc/18/79/38/345187938.db2.gz FJNCTIAMIQHXCL-FEPKRQSRSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C)CCC[N@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634992819 345188331 /nfs/dbraw/zinc/18/83/31/345188331.db2.gz BNSXCBPPKJQSPF-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CC1(C)CCC[N@@H+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634992819 345188333 /nfs/dbraw/zinc/18/83/33/345188333.db2.gz BNSXCBPPKJQSPF-UHFFFAOYSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@@H](C)C[N@H+](CC)CC12CC(C1)C[NH2+]2 ZINC000634992973 345188889 /nfs/dbraw/zinc/18/88/89/345188889.db2.gz HWJHVIFPTARDDR-PNESKVBLSA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H](C)C[N@@H+](CC)CC12CC(C1)C[NH2+]2 ZINC000634992973 345188891 /nfs/dbraw/zinc/18/88/91/345188891.db2.gz HWJHVIFPTARDDR-PNESKVBLSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000449065375 201801253 /nfs/dbraw/zinc/80/12/53/201801253.db2.gz UBGKVAAKRCBSKJ-NSHDSACASA-N 2 2 224.348 2.140 20 0 BEADLP Cc1ncsc1C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000634997539 345196734 /nfs/dbraw/zinc/19/67/34/345196734.db2.gz NRASHJNJLXHBEI-NSHDSACASA-N 2 2 239.388 2.155 20 0 BEADLP Cc1ncsc1C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000634997539 345196736 /nfs/dbraw/zinc/19/67/36/345196736.db2.gz NRASHJNJLXHBEI-NSHDSACASA-N 2 2 239.388 2.155 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000635013832 345218050 /nfs/dbraw/zinc/21/80/50/345218050.db2.gz WLVDVHDCZPFMPB-ZYUZMQFOSA-N 2 2 236.281 2.057 20 0 BEADLP C[C@@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@@H+]1C ZINC000158455257 345335317 /nfs/dbraw/zinc/33/53/17/345335317.db2.gz JOONQVGJBPSPPZ-GHMZBOCLSA-N 2 2 244.342 2.458 20 0 BEADLP C[C@@H]1C[C@H](Nc2[nH]c3ccccc3[nH+]2)CC[N@H+]1C ZINC000158455257 345335321 /nfs/dbraw/zinc/33/53/21/345335321.db2.gz JOONQVGJBPSPPZ-GHMZBOCLSA-N 2 2 244.342 2.458 20 0 BEADLP CC(C)(Nc1[nH+]cnc2[nH]ccc21)c1[nH]cc[nH+]1 ZINC000641663191 362586689 /nfs/dbraw/zinc/58/66/89/362586689.db2.gz QBXFUQWVCZLZAD-UHFFFAOYSA-N 2 2 242.286 2.028 20 0 BEADLP CCCC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000068958829 349932485 /nfs/dbraw/zinc/93/24/85/349932485.db2.gz HRROGJQHGGSRSM-CQSZACIVSA-N 2 2 218.344 2.345 20 0 BEADLP CCCC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000068958829 349932487 /nfs/dbraw/zinc/93/24/87/349932487.db2.gz HRROGJQHGGSRSM-CQSZACIVSA-N 2 2 218.344 2.345 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccn(C)c1 ZINC000091892494 345612263 /nfs/dbraw/zinc/61/22/63/345612263.db2.gz UUNGMKNDXIVJEA-CABCVRRESA-N 2 2 247.386 2.084 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccn(C)c1 ZINC000091892494 345612265 /nfs/dbraw/zinc/61/22/65/345612265.db2.gz UUNGMKNDXIVJEA-CABCVRRESA-N 2 2 247.386 2.084 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(C)c1 ZINC000091892494 345612268 /nfs/dbraw/zinc/61/22/68/345612268.db2.gz UUNGMKNDXIVJEA-CABCVRRESA-N 2 2 247.386 2.084 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)c1 ZINC000091892494 345612271 /nfs/dbraw/zinc/61/22/71/345612271.db2.gz UUNGMKNDXIVJEA-CABCVRRESA-N 2 2 247.386 2.084 20 0 BEADLP CC[C@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000093055367 345655931 /nfs/dbraw/zinc/65/59/31/345655931.db2.gz WBCPSGCTPSNJDE-LBPRGKRZSA-N 2 2 244.342 2.403 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628211087 345822441 /nfs/dbraw/zinc/82/24/41/345822441.db2.gz WDSXYEZEHAEELX-SNVBAGLBSA-N 2 2 234.334 2.350 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628211087 345822443 /nfs/dbraw/zinc/82/24/43/345822443.db2.gz WDSXYEZEHAEELX-SNVBAGLBSA-N 2 2 234.334 2.350 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771673 535011025 /nfs/dbraw/zinc/01/10/25/535011025.db2.gz RBUSFALPIMVHGX-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771673 535011032 /nfs/dbraw/zinc/01/10/32/535011032.db2.gz RBUSFALPIMVHGX-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP COCC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440751262 537951048 /nfs/dbraw/zinc/95/10/48/537951048.db2.gz BDOJDVSDWSUZSG-VXGBXAGGSA-N 2 2 237.347 2.014 20 0 BEADLP COCC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440751262 537951053 /nfs/dbraw/zinc/95/10/53/537951053.db2.gz BDOJDVSDWSUZSG-VXGBXAGGSA-N 2 2 237.347 2.014 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358282166 179033620 /nfs/dbraw/zinc/03/36/20/179033620.db2.gz BKVASGSFAVGZJQ-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358282166 179033623 /nfs/dbraw/zinc/03/36/23/179033623.db2.gz BKVASGSFAVGZJQ-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C)o1 ZINC000628279989 346291014 /nfs/dbraw/zinc/29/10/14/346291014.db2.gz KJBVFUICHVWYHO-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)o1 ZINC000628279989 346291017 /nfs/dbraw/zinc/29/10/17/346291017.db2.gz KJBVFUICHVWYHO-UHFFFAOYSA-N 2 2 239.363 2.147 20 0 BEADLP Cc1cccc(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000270867917 179067729 /nfs/dbraw/zinc/06/77/29/179067729.db2.gz TVLUNGJKVDBUKO-UHFFFAOYSA-N 2 2 229.327 2.324 20 0 BEADLP Cc1cccc(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000270867917 179067732 /nfs/dbraw/zinc/06/77/32/179067732.db2.gz TVLUNGJKVDBUKO-UHFFFAOYSA-N 2 2 229.327 2.324 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000574924517 346414462 /nfs/dbraw/zinc/41/44/62/346414462.db2.gz SBKYTTWXPUCQSH-QWHCGFSZSA-N 2 2 231.343 2.318 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000574924517 346414463 /nfs/dbraw/zinc/41/44/63/346414463.db2.gz SBKYTTWXPUCQSH-QWHCGFSZSA-N 2 2 231.343 2.318 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC(C)C)n1C ZINC000563438653 323125584 /nfs/dbraw/zinc/12/55/84/323125584.db2.gz GRRGMAVMCUPEAK-JTQLQIEISA-N 2 2 209.337 2.253 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)CC(C)C)n1C ZINC000563438654 323125641 /nfs/dbraw/zinc/12/56/41/323125641.db2.gz GRRGMAVMCUPEAK-SNVBAGLBSA-N 2 2 209.337 2.253 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000641797154 362741616 /nfs/dbraw/zinc/74/16/16/362741616.db2.gz WBNPSWSEIXXOMS-UWVGGRQHSA-N 2 2 220.307 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000641797154 362741617 /nfs/dbraw/zinc/74/16/17/362741617.db2.gz WBNPSWSEIXXOMS-UWVGGRQHSA-N 2 2 220.307 2.091 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910055 349968720 /nfs/dbraw/zinc/96/87/20/349968720.db2.gz BUKFEYJWBWULMS-GRYCIOLGSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910055 349968724 /nfs/dbraw/zinc/96/87/24/349968724.db2.gz BUKFEYJWBWULMS-GRYCIOLGSA-N 2 2 230.421 2.186 20 0 BEADLP Cc1cccc(C[C@H]([NH2+]CC[NH+](C)C)C2CC2)c1 ZINC000273249215 179106066 /nfs/dbraw/zinc/10/60/66/179106066.db2.gz IWTWLSVWUXHUOU-INIZCTEOSA-N 2 2 246.398 2.467 20 0 BEADLP Cc1cccnc1C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809490 362766223 /nfs/dbraw/zinc/76/62/23/362766223.db2.gz QQADHQOFYCWAET-BNOWGMLFSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccnc1C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809490 362766228 /nfs/dbraw/zinc/76/62/28/362766228.db2.gz QQADHQOFYCWAET-BNOWGMLFSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)[nH+]1 ZINC000286465907 179123337 /nfs/dbraw/zinc/12/33/37/179123337.db2.gz VKNZSUGWXCZLEC-UONOGXRCSA-N 2 2 245.370 2.453 20 0 BEADLP Cc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)[nH+]1 ZINC000286465902 179123779 /nfs/dbraw/zinc/12/37/79/179123779.db2.gz VKNZSUGWXCZLEC-KGLIPLIRSA-N 2 2 245.370 2.453 20 0 BEADLP C[N@@H+]1CC[C@H](CSc2[nH+]cc3ccccn32)C1 ZINC000187668727 346596926 /nfs/dbraw/zinc/59/69/26/346596926.db2.gz OQEATRQEKVPNTJ-NSHDSACASA-N 2 2 247.367 2.378 20 0 BEADLP C[N@H+]1CC[C@H](CSc2[nH+]cc3ccccn32)C1 ZINC000187668727 346596928 /nfs/dbraw/zinc/59/69/28/346596928.db2.gz OQEATRQEKVPNTJ-NSHDSACASA-N 2 2 247.367 2.378 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000380065014 365837628 /nfs/dbraw/zinc/83/76/28/365837628.db2.gz BVCDBQFCCWIOAL-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000380065014 365837636 /nfs/dbraw/zinc/83/76/36/365837636.db2.gz BVCDBQFCCWIOAL-CHWSQXEVSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580211795 346685350 /nfs/dbraw/zinc/68/53/50/346685350.db2.gz JRYRTROLTPEAIO-QWRGUYRKSA-N 2 2 207.321 2.008 20 0 BEADLP CC[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580211795 346685351 /nfs/dbraw/zinc/68/53/51/346685351.db2.gz JRYRTROLTPEAIO-QWRGUYRKSA-N 2 2 207.321 2.008 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688377 346806845 /nfs/dbraw/zinc/80/68/45/346806845.db2.gz GQIUXJHTFIUHML-FQUUOJAGSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688377 346806848 /nfs/dbraw/zinc/80/68/48/346806848.db2.gz GQIUXJHTFIUHML-FQUUOJAGSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1cccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[nH+]1 ZINC000163889585 179159451 /nfs/dbraw/zinc/15/94/51/179159451.db2.gz CSKMJCNNNPVYLP-NEPJUHHUSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cccc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[nH+]1 ZINC000163889585 179159454 /nfs/dbraw/zinc/15/94/54/179159454.db2.gz CSKMJCNNNPVYLP-NEPJUHHUSA-N 2 2 231.343 2.427 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+](C)C)CS1 ZINC000380094381 365875504 /nfs/dbraw/zinc/87/55/04/365875504.db2.gz JVBAYIHLBNQRIS-SRVKXCTJSA-N 2 2 230.421 2.056 20 0 BEADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1C ZINC000335025444 179183364 /nfs/dbraw/zinc/18/33/64/179183364.db2.gz SJGCIIPPOQWEQS-CHWSQXEVSA-N 2 2 218.344 2.316 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000251183984 179193189 /nfs/dbraw/zinc/19/31/89/179193189.db2.gz JCYOGLULNHMTGV-GXTWGEPZSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000251183984 179193190 /nfs/dbraw/zinc/19/31/90/179193190.db2.gz JCYOGLULNHMTGV-GXTWGEPZSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042545814 179197472 /nfs/dbraw/zinc/19/74/72/179197472.db2.gz RCKBNSQSWSVBMR-JSGCOSHPSA-N 2 2 218.344 2.350 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042545814 179197474 /nfs/dbraw/zinc/19/74/74/179197474.db2.gz RCKBNSQSWSVBMR-JSGCOSHPSA-N 2 2 218.344 2.350 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000390210517 347282511 /nfs/dbraw/zinc/28/25/11/347282511.db2.gz VAASVWKEKPBWRM-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000390210517 347282514 /nfs/dbraw/zinc/28/25/14/347282514.db2.gz VAASVWKEKPBWRM-HZSPNIEDSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000020127027 347354430 /nfs/dbraw/zinc/35/44/30/347354430.db2.gz ZKHKOKRUBODMCY-AWEZNQCLSA-N 2 2 232.371 2.476 20 0 BEADLP Cc1ccc(CCC[NH2+]CCCC[NH+](C)C)c[nH+]1 ZINC000354211461 187374319 /nfs/dbraw/zinc/37/43/19/187374319.db2.gz NDUZRDOLQHWDPY-UHFFFAOYSA-N 3 2 249.402 2.254 20 0 BEADLP Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1C ZINC000020226767 347430735 /nfs/dbraw/zinc/43/07/35/347430735.db2.gz OPRBNDCEPWHJTK-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1C ZINC000020226767 347430739 /nfs/dbraw/zinc/43/07/39/347430739.db2.gz OPRBNDCEPWHJTK-GFCCVEGCSA-N 2 2 206.333 2.082 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000380104383 365880861 /nfs/dbraw/zinc/88/08/61/365880861.db2.gz MTRSKSSTLQMQDT-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000380104383 365880863 /nfs/dbraw/zinc/88/08/63/365880863.db2.gz MTRSKSSTLQMQDT-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000042436128 179270080 /nfs/dbraw/zinc/27/00/80/179270080.db2.gz GZDCIXWIQJYHHY-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC000042436128 179270083 /nfs/dbraw/zinc/27/00/83/179270083.db2.gz GZDCIXWIQJYHHY-AWEZNQCLSA-N 2 2 218.344 2.179 20 0 BEADLP CCSCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594611916 348082304 /nfs/dbraw/zinc/08/23/04/348082304.db2.gz PGXTYLZATNFFGA-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594611916 348082307 /nfs/dbraw/zinc/08/23/07/348082307.db2.gz PGXTYLZATNFFGA-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP Cc1cccn2c(C[NH2+]CC[C@@H](C)F)c[nH+]c12 ZINC000339490384 179354152 /nfs/dbraw/zinc/35/41/52/179354152.db2.gz KRJYMWXIMGNUPO-LLVKDONJSA-N 2 2 235.306 2.480 20 0 BEADLP CSCCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594927252 348138392 /nfs/dbraw/zinc/13/83/92/348138392.db2.gz UQQRTAOUBIBUSO-UHFFFAOYSA-N 2 2 239.388 2.062 20 0 BEADLP CC[C@H](CSC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594933669 348140865 /nfs/dbraw/zinc/14/08/65/348140865.db2.gz AMJDPUMAWHGSMC-SNVBAGLBSA-N 2 2 239.388 2.061 20 0 BEADLP C[C@H](CSCCF)[NH2+]CC[NH+]1CCCCC1 ZINC000595003185 348169709 /nfs/dbraw/zinc/16/97/09/348169709.db2.gz CGDHSKRLARYXTK-GFCCVEGCSA-N 2 2 248.411 2.153 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CSCCF)C1 ZINC000595097560 348194305 /nfs/dbraw/zinc/19/43/05/348194305.db2.gz XPFZNLMEPJABKT-NWDGAFQWSA-N 2 2 248.411 2.152 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CSCCF)C1 ZINC000595097560 348194306 /nfs/dbraw/zinc/19/43/06/348194306.db2.gz XPFZNLMEPJABKT-NWDGAFQWSA-N 2 2 248.411 2.152 20 0 BEADLP Cc1cccnc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000093175726 179370915 /nfs/dbraw/zinc/37/09/15/179370915.db2.gz MPAAGWVEBJMRCF-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000093175726 179370919 /nfs/dbraw/zinc/37/09/19/179370919.db2.gz MPAAGWVEBJMRCF-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000093175726 179370920 /nfs/dbraw/zinc/37/09/20/179370920.db2.gz MPAAGWVEBJMRCF-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1cccnc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000093175726 179370923 /nfs/dbraw/zinc/37/09/23/179370923.db2.gz MPAAGWVEBJMRCF-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162171 187392254 /nfs/dbraw/zinc/39/22/54/187392254.db2.gz XVXXFACEBYUMBU-UHFFFAOYSA-N 2 2 248.414 2.497 20 0 BEADLP CCSCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000308733719 348269477 /nfs/dbraw/zinc/26/94/77/348269477.db2.gz CEVJNGCDPZGJLS-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP CCSCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000308733719 348269481 /nfs/dbraw/zinc/26/94/81/348269481.db2.gz CEVJNGCDPZGJLS-LBPRGKRZSA-N 2 2 230.421 2.202 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC000041050968 187393172 /nfs/dbraw/zinc/39/31/72/187393172.db2.gz CXFDKCXPHPGBHG-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000271331127 179497968 /nfs/dbraw/zinc/49/79/68/179497968.db2.gz ATKOESZZYBSNHN-CHWSQXEVSA-N 2 2 244.342 2.326 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000623825192 348707437 /nfs/dbraw/zinc/70/74/37/348707437.db2.gz YVJUWLLQCXGFOP-AGIUHOORSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000623825192 348707439 /nfs/dbraw/zinc/70/74/39/348707439.db2.gz YVJUWLLQCXGFOP-AGIUHOORSA-N 2 2 222.376 2.106 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1CCSC1 ZINC000278485339 179696822 /nfs/dbraw/zinc/69/68/22/179696822.db2.gz LJFYHSIOWHSNLM-GFCCVEGCSA-N 2 2 236.384 2.275 20 0 BEADLP Cc1cc(N(C)C2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000420142609 192169966 /nfs/dbraw/zinc/16/99/66/192169966.db2.gz UWPWEXKONQBJRI-UHFFFAOYSA-N 2 2 248.374 2.097 20 0 BEADLP CCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)COC1 ZINC000449604232 201982417 /nfs/dbraw/zinc/98/24/17/201982417.db2.gz WUAKNTQHKXNKRR-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP COc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386535266 349214186 /nfs/dbraw/zinc/21/41/86/349214186.db2.gz BPLXFEDKKGSMJZ-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000161324982 349422268 /nfs/dbraw/zinc/42/22/68/349422268.db2.gz ALBWZXYLSJFTPY-LBPRGKRZSA-N 2 2 248.305 2.158 20 0 BEADLP CCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132032362 191023292 /nfs/dbraw/zinc/02/32/92/191023292.db2.gz PKSSPDURUMOHKV-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP CCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132032362 191023295 /nfs/dbraw/zinc/02/32/95/191023295.db2.gz PKSSPDURUMOHKV-RYUDHWBXSA-N 2 2 210.365 2.391 20 0 BEADLP CCCc1[nH+]ccn1CCCc1c[nH+]cn1C ZINC000314120822 350167324 /nfs/dbraw/zinc/16/73/24/350167324.db2.gz DVVUHXXSGLEUGL-UHFFFAOYSA-N 2 2 232.331 2.202 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000069727150 180143302 /nfs/dbraw/zinc/14/33/02/180143302.db2.gz HQQATSXARCFIIU-SKDRFNHKSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000069727150 180143304 /nfs/dbraw/zinc/14/33/04/180143304.db2.gz HQQATSXARCFIIU-SKDRFNHKSA-N 2 2 239.388 2.011 20 0 BEADLP Cn1c[nH+]cc1CCC[NH+]1CCCCCC1 ZINC000314204339 350168969 /nfs/dbraw/zinc/16/89/69/350168969.db2.gz TZFKSEOOFWPNHK-UHFFFAOYSA-N 2 2 221.348 2.229 20 0 BEADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000090720780 180155688 /nfs/dbraw/zinc/15/56/88/180155688.db2.gz JHGWWOMRUAEPCI-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000090720780 180155692 /nfs/dbraw/zinc/15/56/92/180155692.db2.gz JHGWWOMRUAEPCI-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(NC2CC([NH+]3CCCCC3)C2)cc[nH+]1 ZINC000360109732 180198689 /nfs/dbraw/zinc/19/86/89/180198689.db2.gz ZFRUFMOSFCRSKF-UHFFFAOYSA-N 2 2 246.358 2.214 20 0 BEADLP Cc1nc(NCC[N@@H+](C)C2CCCC2)cc[nH+]1 ZINC000071377570 180198815 /nfs/dbraw/zinc/19/88/15/180198815.db2.gz BRCNPDKORPPFEF-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(NCC[N@H+](C)C2CCCC2)cc[nH+]1 ZINC000071377570 180198818 /nfs/dbraw/zinc/19/88/18/180198818.db2.gz BRCNPDKORPPFEF-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1nc(NC[C@@H](C)C[NH+]2CCCCC2)cc[nH+]1 ZINC000054936008 180200706 /nfs/dbraw/zinc/20/07/06/180200706.db2.gz YNAQXSQFLGYKCZ-GFCCVEGCSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)cc[nH+]1 ZINC000130658386 180201844 /nfs/dbraw/zinc/20/18/44/180201844.db2.gz ZKTYFOWSCLRXBB-CYBMUJFWSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1nc(NC[C@H]2CC[N@H+](CC(C)C)C2)cc[nH+]1 ZINC000130658386 180201847 /nfs/dbraw/zinc/20/18/47/180201847.db2.gz ZKTYFOWSCLRXBB-CYBMUJFWSA-N 2 2 248.374 2.175 20 0 BEADLP Cc1nc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266458140 180202427 /nfs/dbraw/zinc/20/24/27/180202427.db2.gz YHZKZFQVXFELLR-NEPJUHHUSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000266458140 180202430 /nfs/dbraw/zinc/20/24/30/180202430.db2.gz YHZKZFQVXFELLR-NEPJUHHUSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000174921577 180205099 /nfs/dbraw/zinc/20/50/99/180205099.db2.gz BQPXMGJXPDAMLY-NWDGAFQWSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1nc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266458145 180206384 /nfs/dbraw/zinc/20/63/84/180206384.db2.gz YHZKZFQVXFELLR-NWDGAFQWSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1nc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC000266458145 180206387 /nfs/dbraw/zinc/20/63/87/180206387.db2.gz YHZKZFQVXFELLR-NWDGAFQWSA-N 2 2 248.374 2.317 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C)[C@H]2C)C[NH2+]1 ZINC000252150690 538079629 /nfs/dbraw/zinc/07/96/29/538079629.db2.gz MLNYXWZTLWUOFA-LOWDOPEQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C)[C@H]2C)C[NH2+]1 ZINC000252150690 538079633 /nfs/dbraw/zinc/07/96/33/538079633.db2.gz MLNYXWZTLWUOFA-LOWDOPEQSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@@H](C)C1 ZINC000252145547 538079669 /nfs/dbraw/zinc/07/96/69/538079669.db2.gz NVVXFAOZYWBBFG-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)C1 ZINC000252145547 538079671 /nfs/dbraw/zinc/07/96/71/538079671.db2.gz NVVXFAOZYWBBFG-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCCCCC1 ZINC000298996635 180249041 /nfs/dbraw/zinc/24/90/41/180249041.db2.gz AYVUFQQVERAYKD-UHFFFAOYSA-N 2 2 207.321 2.068 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+](CC(F)F)C(C)C ZINC000270825200 180250300 /nfs/dbraw/zinc/25/03/00/180250300.db2.gz BVHLMDVNIPVQIJ-UHFFFAOYSA-N 2 2 231.290 2.167 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+](CC(F)F)C(C)C ZINC000270825200 180250301 /nfs/dbraw/zinc/25/03/01/180250301.db2.gz BVHLMDVNIPVQIJ-UHFFFAOYSA-N 2 2 231.290 2.167 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289847036 180251855 /nfs/dbraw/zinc/25/18/55/180251855.db2.gz PMUZHRNRZYTIIE-SNVBAGLBSA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289847036 180251858 /nfs/dbraw/zinc/25/18/58/180251858.db2.gz PMUZHRNRZYTIIE-SNVBAGLBSA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCC(C)(C)CC1 ZINC000336554737 180252743 /nfs/dbraw/zinc/25/27/43/180252743.db2.gz RUJZQSPCRBMIKU-UHFFFAOYSA-N 2 2 221.348 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000336495602 180253345 /nfs/dbraw/zinc/25/33/45/180253345.db2.gz SDIGIIPEISAWEF-KBPBESRZSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000270910277 180254199 /nfs/dbraw/zinc/25/41/99/180254199.db2.gz SSQPOHLSMOJYGA-MNOVXSKESA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000270910277 180254201 /nfs/dbraw/zinc/25/42/01/180254201.db2.gz SSQPOHLSMOJYGA-MNOVXSKESA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000270910276 180255913 /nfs/dbraw/zinc/25/59/13/180255913.db2.gz SSQPOHLSMOJYGA-GHMZBOCLSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000270910276 180255914 /nfs/dbraw/zinc/25/59/14/180255914.db2.gz SSQPOHLSMOJYGA-GHMZBOCLSA-N 2 2 239.388 2.017 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000336495603 180256360 /nfs/dbraw/zinc/25/63/60/180256360.db2.gz SDIGIIPEISAWEF-ZIAGYGMSSA-N 2 2 233.359 2.314 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1C1CC1)CC2 ZINC000427881986 191098101 /nfs/dbraw/zinc/09/81/01/191098101.db2.gz LAXSZAVIKJYQDP-HZSPNIEDSA-N 2 2 245.370 2.366 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000163284267 350514999 /nfs/dbraw/zinc/51/49/99/350514999.db2.gz JKWGQZZWPMLEIE-MCIONIFRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000163284267 350515001 /nfs/dbraw/zinc/51/50/01/350515001.db2.gz JKWGQZZWPMLEIE-MCIONIFRSA-N 2 2 242.407 2.121 20 0 BEADLP CCCC[C@H](CC)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000339406370 350755399 /nfs/dbraw/zinc/75/53/99/350755399.db2.gz FYSZQXCAMXIRBD-KBPBESRZSA-N 2 2 242.407 2.252 20 0 BEADLP CCCC[C@H](CC)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000339406370 350755402 /nfs/dbraw/zinc/75/54/02/350755402.db2.gz FYSZQXCAMXIRBD-KBPBESRZSA-N 2 2 242.407 2.252 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000238854771 350775310 /nfs/dbraw/zinc/77/53/10/350775310.db2.gz PHDNCYGJXMRPRN-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000238854771 350775314 /nfs/dbraw/zinc/77/53/14/350775314.db2.gz PHDNCYGJXMRPRN-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000069801300 350830989 /nfs/dbraw/zinc/83/09/89/350830989.db2.gz ZCPDOESUJRKNDC-GFCCVEGCSA-N 2 2 206.333 2.207 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000069801300 350830992 /nfs/dbraw/zinc/83/09/92/350830992.db2.gz ZCPDOESUJRKNDC-GFCCVEGCSA-N 2 2 206.333 2.207 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000397540837 350909668 /nfs/dbraw/zinc/90/96/68/350909668.db2.gz VUGICCXEFQFYQW-DZGCQCFKSA-N 2 2 248.370 2.480 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)[NH+](C)C ZINC000300859915 191128972 /nfs/dbraw/zinc/12/89/72/191128972.db2.gz GISGZABLQVDZCJ-NEPJUHHUSA-N 2 2 200.370 2.208 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000623572976 363003775 /nfs/dbraw/zinc/00/37/75/363003775.db2.gz TZYQNNRHEUOHEK-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000623572976 363003782 /nfs/dbraw/zinc/00/37/82/363003782.db2.gz TZYQNNRHEUOHEK-RZFFKMDDSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631643214 351383055 /nfs/dbraw/zinc/38/30/55/351383055.db2.gz ZAPAFYVIBMTCNI-WFASDCNBSA-N 2 2 245.370 2.143 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ncccc32)C1 ZINC000631643214 351383059 /nfs/dbraw/zinc/38/30/59/351383059.db2.gz ZAPAFYVIBMTCNI-WFASDCNBSA-N 2 2 245.370 2.143 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631643212 351383465 /nfs/dbraw/zinc/38/34/65/351383465.db2.gz ZAPAFYVIBMTCNI-IUODEOHRSA-N 2 2 245.370 2.143 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631643212 351383468 /nfs/dbraw/zinc/38/34/68/351383468.db2.gz ZAPAFYVIBMTCNI-IUODEOHRSA-N 2 2 245.370 2.143 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccoc1 ZINC000577720061 366042994 /nfs/dbraw/zinc/04/29/94/366042994.db2.gz QADOTVPYUZRROD-JQWIXIFHSA-N 2 2 210.321 2.304 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000577822539 366071254 /nfs/dbraw/zinc/07/12/54/366071254.db2.gz YQKBMHDXPGHCMO-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000577822539 366071259 /nfs/dbraw/zinc/07/12/59/366071259.db2.gz YQKBMHDXPGHCMO-OCCSQVGLSA-N 2 2 224.392 2.497 20 0 BEADLP CCc1cccc(F)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414792871 351772240 /nfs/dbraw/zinc/77/22/40/351772240.db2.gz RTAUHTILURQDBB-HZMBPMFUSA-N 2 2 236.334 2.310 20 0 BEADLP CCc1cccc(F)c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414792871 351772243 /nfs/dbraw/zinc/77/22/43/351772243.db2.gz RTAUHTILURQDBB-HZMBPMFUSA-N 2 2 236.334 2.310 20 0 BEADLP CC1(C)CC[N@H+](CCn2cc[nH+]c2)CCS1 ZINC000279716896 351821574 /nfs/dbraw/zinc/82/15/74/351821574.db2.gz LCRLTYABCRWWHL-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CC1(C)CC[N@@H+](CCn2cc[nH+]c2)CCS1 ZINC000279716896 351821577 /nfs/dbraw/zinc/82/15/77/351821577.db2.gz LCRLTYABCRWWHL-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)nc1 ZINC000414854737 351905879 /nfs/dbraw/zinc/90/58/79/351905879.db2.gz VHHQSTNRYZDAAX-OAHLLOKOSA-N 2 2 247.386 2.387 20 0 BEADLP CCCC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000290096837 352209854 /nfs/dbraw/zinc/20/98/54/352209854.db2.gz ZWNMNTOTFXZXCF-GFCCVEGCSA-N 2 2 209.337 2.394 20 0 BEADLP CCCC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000290096837 352209858 /nfs/dbraw/zinc/20/98/58/352209858.db2.gz ZWNMNTOTFXZXCF-GFCCVEGCSA-N 2 2 209.337 2.394 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccncc1 ZINC000037157807 358468648 /nfs/dbraw/zinc/46/86/48/358468648.db2.gz OIPISVNFWPDSNP-VXGBXAGGSA-N 2 2 230.315 2.017 20 0 BEADLP CCc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000344442674 538102412 /nfs/dbraw/zinc/10/24/12/538102412.db2.gz RKTNZHZYOLNTEO-BBRMVZONSA-N 2 2 246.398 2.331 20 0 BEADLP CCc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000344442674 538102414 /nfs/dbraw/zinc/10/24/14/538102414.db2.gz RKTNZHZYOLNTEO-BBRMVZONSA-N 2 2 246.398 2.331 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340468165 352379227 /nfs/dbraw/zinc/37/92/27/352379227.db2.gz JUAULUHAKKTVKD-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340468165 352379231 /nfs/dbraw/zinc/37/92/31/352379231.db2.gz JUAULUHAKKTVKD-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CC)OC ZINC000638602600 352438735 /nfs/dbraw/zinc/43/87/35/352438735.db2.gz DQSBTBZKYNDFSY-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1CC)OC ZINC000638602600 352438738 /nfs/dbraw/zinc/43/87/38/352438738.db2.gz DQSBTBZKYNDFSY-KGLIPLIRSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638604930 352439349 /nfs/dbraw/zinc/43/93/49/352439349.db2.gz IERIETVTSSXUAQ-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000638604930 352439352 /nfs/dbraw/zinc/43/93/52/352439352.db2.gz IERIETVTSSXUAQ-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C/C=C\C[C@H](CO)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354654398 187722246 /nfs/dbraw/zinc/72/22/46/187722246.db2.gz FSXRESOVJBQJHU-ABCZVMIZSA-N 2 2 248.370 2.239 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC000638708962 352545534 /nfs/dbraw/zinc/54/55/34/352545534.db2.gz PGPQCHGZGGSKTI-ZYHUDNBSSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)CC[N@H+]1C ZINC000638708962 352545537 /nfs/dbraw/zinc/54/55/37/352545537.db2.gz PGPQCHGZGGSKTI-ZYHUDNBSSA-N 2 2 249.358 2.124 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000039170309 352586272 /nfs/dbraw/zinc/58/62/72/352586272.db2.gz AYSAWSQFBJHOIJ-AWEZNQCLSA-N 2 2 226.323 2.373 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157785 187760845 /nfs/dbraw/zinc/76/08/45/187760845.db2.gz NDPSPFHHUJWEAY-NEPJUHHUSA-N 2 2 209.337 2.296 20 0 BEADLP C[N@@H+]1CCC[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000044537566 352654651 /nfs/dbraw/zinc/65/46/51/352654651.db2.gz WOGXUQSLIAHQJR-NSHDSACASA-N 2 2 244.342 2.317 20 0 BEADLP C[N@H+]1CCC[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000044537566 352654653 /nfs/dbraw/zinc/65/46/53/352654653.db2.gz WOGXUQSLIAHQJR-NSHDSACASA-N 2 2 244.342 2.317 20 0 BEADLP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000043327450 352637421 /nfs/dbraw/zinc/63/74/21/352637421.db2.gz PYFFRDDBLUWJPQ-MWLCHTKSSA-N 2 2 239.388 2.163 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC)cc1 ZINC000043326490 352637644 /nfs/dbraw/zinc/63/76/44/352637644.db2.gz YLZSLHZYOODJCO-UKRRQHHQSA-N 2 2 248.370 2.488 20 0 BEADLP CC(C)[C@@H]([NH3+])CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000420214370 192176397 /nfs/dbraw/zinc/17/63/97/192176397.db2.gz ZTKISRFHGOIZAK-LBPRGKRZSA-N 2 2 248.374 2.164 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000334188572 352778274 /nfs/dbraw/zinc/77/82/74/352778274.db2.gz GOLWWHRGJQIQAF-ZDUSSCGKSA-N 2 2 241.338 2.365 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000334188572 352778277 /nfs/dbraw/zinc/77/82/77/352778277.db2.gz GOLWWHRGJQIQAF-ZDUSSCGKSA-N 2 2 241.338 2.365 20 0 BEADLP CC[N@@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000345165589 538105627 /nfs/dbraw/zinc/10/56/27/538105627.db2.gz AYLAUHZZQSZRKY-NWDGAFQWSA-N 2 2 248.374 2.012 20 0 BEADLP CC[N@H+]1C[C@@H](C)N(c2cc(C)[nH+]c(C)n2)C[C@@H]1C ZINC000345165589 538105628 /nfs/dbraw/zinc/10/56/28/538105628.db2.gz AYLAUHZZQSZRKY-NWDGAFQWSA-N 2 2 248.374 2.012 20 0 BEADLP Cc1cc(C2=CC[NH2+]CC2)c2[nH+]ccn2c1 ZINC000623168789 352975704 /nfs/dbraw/zinc/97/57/04/352975704.db2.gz OMJINPJRFDPWAD-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP c1cc(C[NH2+]CCCNc2cccc[nH+]2)sn1 ZINC000638873904 353043833 /nfs/dbraw/zinc/04/38/33/353043833.db2.gz MUYAIAWAXMDLCJ-UHFFFAOYSA-N 2 2 248.355 2.130 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000638873356 353043856 /nfs/dbraw/zinc/04/38/56/353043856.db2.gz HUHBGAMXTFSNPJ-LBPRGKRZSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2CCSCC2)C1 ZINC000638873356 353043859 /nfs/dbraw/zinc/04/38/59/353043859.db2.gz HUHBGAMXTFSNPJ-LBPRGKRZSA-N 2 2 242.432 2.061 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336757266 353158541 /nfs/dbraw/zinc/15/85/41/353158541.db2.gz JCSMMRPWLARABW-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C ZINC000336757266 353158543 /nfs/dbraw/zinc/15/85/43/353158543.db2.gz JCSMMRPWLARABW-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C2CC2)c[nH+]1 ZINC000353452155 188060740 /nfs/dbraw/zinc/06/07/40/188060740.db2.gz VDZSDSNDQNHWIG-UHFFFAOYSA-N 2 2 204.317 2.417 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C2CC2)c[nH+]1 ZINC000353452155 188060742 /nfs/dbraw/zinc/06/07/42/188060742.db2.gz VDZSDSNDQNHWIG-UHFFFAOYSA-N 2 2 204.317 2.417 20 0 BEADLP CCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367793822 188072293 /nfs/dbraw/zinc/07/22/93/188072293.db2.gz PTYFFPHQVYBVGL-QWHCGFSZSA-N 2 2 210.365 2.345 20 0 BEADLP CCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367793822 188072295 /nfs/dbraw/zinc/07/22/95/188072295.db2.gz PTYFFPHQVYBVGL-QWHCGFSZSA-N 2 2 210.365 2.345 20 0 BEADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000051628429 353178685 /nfs/dbraw/zinc/17/86/85/353178685.db2.gz QRRYNSSHMWMHIQ-KBPBESRZSA-N 2 2 218.344 2.431 20 0 BEADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000051628429 353178687 /nfs/dbraw/zinc/17/86/87/353178687.db2.gz QRRYNSSHMWMHIQ-KBPBESRZSA-N 2 2 218.344 2.431 20 0 BEADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCSC1 ZINC000037166741 188105786 /nfs/dbraw/zinc/10/57/86/188105786.db2.gz ZPRIELJPHORXIA-VXGBXAGGSA-N 2 2 230.421 2.058 20 0 BEADLP C1CC[C@@H]([NH+]2CCCCCCC2)C[NH2+]C1 ZINC000054134942 188126550 /nfs/dbraw/zinc/12/65/50/188126550.db2.gz PWRHUBPMOAPKTK-CYBMUJFWSA-N 2 2 210.365 2.395 20 0 BEADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000070535965 188130157 /nfs/dbraw/zinc/13/01/57/188130157.db2.gz QEIBCEFKDVXMDH-GFCCVEGCSA-N 2 2 248.374 2.000 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157808375 538111273 /nfs/dbraw/zinc/11/12/73/538111273.db2.gz BGJUUVGNDHOLTB-HUUCEWRRSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157808375 538111274 /nfs/dbraw/zinc/11/12/74/538111274.db2.gz BGJUUVGNDHOLTB-HUUCEWRRSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CSC[C@H]1C)[NH+](C)C ZINC000304501835 188151713 /nfs/dbraw/zinc/15/17/13/188151713.db2.gz NHQGNHNRWSLNMZ-JHJVBQTASA-N 2 2 244.448 2.304 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000309937493 188170034 /nfs/dbraw/zinc/17/00/34/188170034.db2.gz AJTMUYHSJUSCKZ-NWDGAFQWSA-N 2 2 221.348 2.366 20 0 BEADLP CC(C)C[C@H](C[NH2+]C1CCCC1)[NH+](C)C ZINC000020201140 188175572 /nfs/dbraw/zinc/17/55/72/188175572.db2.gz BQIPPTVNAAEMID-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000122468100 188179701 /nfs/dbraw/zinc/17/97/01/188179701.db2.gz IOBAHQJLKVAGIZ-NWDGAFQWSA-N 2 2 230.421 2.058 20 0 BEADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000337993612 188187307 /nfs/dbraw/zinc/18/73/07/188187307.db2.gz CFAKSRBHCPTBFE-QWHCGFSZSA-N 2 2 239.338 2.391 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000123261167 188218653 /nfs/dbraw/zinc/21/86/53/188218653.db2.gz IGLJQLBPKHXRDK-CQSZACIVSA-N 2 2 232.371 2.406 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000123261167 188218655 /nfs/dbraw/zinc/21/86/55/188218655.db2.gz IGLJQLBPKHXRDK-CQSZACIVSA-N 2 2 232.371 2.406 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+](C)C)[C@H](C)C2 ZINC000286952679 188209443 /nfs/dbraw/zinc/20/94/43/188209443.db2.gz HLQIRHMYPGROQN-DOMZBBRYSA-N 2 2 232.371 2.380 20 0 BEADLP C/C=C/C[C@@H](CO)[NH2+]CCCc1c[nH+]ccc1C ZINC000289779755 188210925 /nfs/dbraw/zinc/21/09/25/188210925.db2.gz RHEBJUOZZCJASU-BWPKMQGJSA-N 2 2 248.370 2.239 20 0 BEADLP CC(C)[N@@H+](C)C[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000290602086 188211487 /nfs/dbraw/zinc/21/14/87/188211487.db2.gz DWISUFAWXSTGEF-SNVBAGLBSA-N 2 2 247.346 2.099 20 0 BEADLP CC(C)[N@H+](C)C[C@@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000290602086 188211489 /nfs/dbraw/zinc/21/14/89/188211489.db2.gz DWISUFAWXSTGEF-SNVBAGLBSA-N 2 2 247.346 2.099 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000165304573 353294635 /nfs/dbraw/zinc/29/46/35/353294635.db2.gz URAXCEDBBODKOL-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000165304573 353294637 /nfs/dbraw/zinc/29/46/37/353294637.db2.gz URAXCEDBBODKOL-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000639071858 353388224 /nfs/dbraw/zinc/38/82/24/353388224.db2.gz PLACOSLWMGDIOQ-YIYPIFLZSA-N 2 2 245.370 2.224 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000226540726 538116635 /nfs/dbraw/zinc/11/66/35/538116635.db2.gz KWTZCSMTJDTAOI-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000226540726 538116636 /nfs/dbraw/zinc/11/66/36/538116636.db2.gz KWTZCSMTJDTAOI-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH+](C)C1(C[NH2+]CC2CCSCC2)CCC1 ZINC000639086176 353435037 /nfs/dbraw/zinc/43/50/37/353435037.db2.gz OZJOGERFJXPTSV-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](C1CC1)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231360739 353591406 /nfs/dbraw/zinc/59/14/06/353591406.db2.gz AJEDGGKRLRYTJE-GFCCVEGCSA-N 2 2 218.344 2.246 20 0 BEADLP C[C@H](C1CC1)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231360739 353591410 /nfs/dbraw/zinc/59/14/10/353591410.db2.gz AJEDGGKRLRYTJE-GFCCVEGCSA-N 2 2 218.344 2.246 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1C)Cn1cc[nH+]c1 ZINC000165735339 353592144 /nfs/dbraw/zinc/59/21/44/353592144.db2.gz HTUYIGLQPQNNLR-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCc1c[nH+]cn1C ZINC000334515193 353602728 /nfs/dbraw/zinc/60/27/28/353602728.db2.gz JBQAZQUIIITMEJ-VXGBXAGGSA-N 2 2 221.348 2.226 20 0 BEADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C(C)(C)C1 ZINC000343314419 353638921 /nfs/dbraw/zinc/63/89/21/353638921.db2.gz NHMDFZGZMHHYTR-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C(C)(C)C1 ZINC000343314419 353638924 /nfs/dbraw/zinc/63/89/24/353638924.db2.gz NHMDFZGZMHHYTR-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000343319837 353675623 /nfs/dbraw/zinc/67/56/23/353675623.db2.gz KEFFBDZHIVCCST-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000343319837 353675625 /nfs/dbraw/zinc/67/56/25/353675625.db2.gz KEFFBDZHIVCCST-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232687343 353749417 /nfs/dbraw/zinc/74/94/17/353749417.db2.gz IRIYKEBOAOMORX-DOMZBBRYSA-N 2 2 248.370 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232687343 353749419 /nfs/dbraw/zinc/74/94/19/353749419.db2.gz IRIYKEBOAOMORX-DOMZBBRYSA-N 2 2 248.370 2.253 20 0 BEADLP C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000334554146 353997595 /nfs/dbraw/zinc/99/75/95/353997595.db2.gz QSWCNMCRLBYVQN-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000334554146 353997598 /nfs/dbraw/zinc/99/75/98/353997598.db2.gz QSWCNMCRLBYVQN-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000334553005 353994889 /nfs/dbraw/zinc/99/48/89/353994889.db2.gz BCHCIQOIVFVOPJ-LBPRGKRZSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000334553005 353994892 /nfs/dbraw/zinc/99/48/92/353994892.db2.gz BCHCIQOIVFVOPJ-LBPRGKRZSA-N 2 2 208.349 2.003 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000334558620 354006658 /nfs/dbraw/zinc/00/66/58/354006658.db2.gz KPNLGBFWPDISCO-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cn1 ZINC000334558620 354006659 /nfs/dbraw/zinc/00/66/59/354006659.db2.gz KPNLGBFWPDISCO-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000334558617 354006748 /nfs/dbraw/zinc/00/67/48/354006748.db2.gz KPNLGBFWPDISCO-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cn1 ZINC000334558617 354006750 /nfs/dbraw/zinc/00/67/50/354006750.db2.gz KPNLGBFWPDISCO-HNNXBMFYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334566834 354088545 /nfs/dbraw/zinc/08/85/45/354088545.db2.gz QRLWDOZKVUXOGF-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334566834 354088547 /nfs/dbraw/zinc/08/85/47/354088547.db2.gz QRLWDOZKVUXOGF-GFCCVEGCSA-N 2 2 222.376 2.393 20 0 BEADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(C)CC1 ZINC000334568355 354092297 /nfs/dbraw/zinc/09/22/97/354092297.db2.gz YTQFTBHXCHYVEB-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000344090682 354137890 /nfs/dbraw/zinc/13/78/90/354137890.db2.gz UYFXDONQYDKNKW-CYBMUJFWSA-N 2 2 219.332 2.171 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000344090682 354137892 /nfs/dbraw/zinc/13/78/92/354137892.db2.gz UYFXDONQYDKNKW-CYBMUJFWSA-N 2 2 219.332 2.171 20 0 BEADLP Cc1ccc(NCC[NH2+]C(C)(C)C)c[nH+]1 ZINC000230975487 363332004 /nfs/dbraw/zinc/33/20/04/363332004.db2.gz RBNLUKZLXXRPKT-UHFFFAOYSA-N 2 2 207.321 2.190 20 0 BEADLP CCC[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175456 354196884 /nfs/dbraw/zinc/19/68/84/354196884.db2.gz OAVFFPDOAMFNDS-ZDUSSCGKSA-N 2 2 239.363 2.020 20 0 BEADLP CCC[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175456 354196886 /nfs/dbraw/zinc/19/68/86/354196886.db2.gz OAVFFPDOAMFNDS-ZDUSSCGKSA-N 2 2 239.363 2.020 20 0 BEADLP CCC[C@H](C[N@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175455 354197209 /nfs/dbraw/zinc/19/72/09/354197209.db2.gz OAVFFPDOAMFNDS-CYBMUJFWSA-N 2 2 239.363 2.020 20 0 BEADLP CCC[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)OC ZINC000639175455 354197210 /nfs/dbraw/zinc/19/72/10/354197210.db2.gz OAVFFPDOAMFNDS-CYBMUJFWSA-N 2 2 239.363 2.020 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344323896 354247560 /nfs/dbraw/zinc/24/75/60/354247560.db2.gz JZWVCISLHZMZSG-SWLSCSKDSA-N 2 2 248.370 2.268 20 0 BEADLP COc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344323896 354247561 /nfs/dbraw/zinc/24/75/61/354247561.db2.gz JZWVCISLHZMZSG-SWLSCSKDSA-N 2 2 248.370 2.268 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000344457067 354264284 /nfs/dbraw/zinc/26/42/84/354264284.db2.gz INOYGFZLPSVEEJ-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cc(C)cc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000344457067 354264288 /nfs/dbraw/zinc/26/42/88/354264288.db2.gz INOYGFZLPSVEEJ-GOEBONIOSA-N 2 2 246.398 2.386 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000344348919 354239667 /nfs/dbraw/zinc/23/96/67/354239667.db2.gz IHRAUPPFTSBHPP-QMIVOQANSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000344348919 354239668 /nfs/dbraw/zinc/23/96/68/354239668.db2.gz IHRAUPPFTSBHPP-QMIVOQANSA-N 2 2 236.403 2.495 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000344588763 354320618 /nfs/dbraw/zinc/32/06/18/354320618.db2.gz UHNYIEFKQKZXCD-IUODEOHRSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000344588763 354320621 /nfs/dbraw/zinc/32/06/21/354320621.db2.gz UHNYIEFKQKZXCD-IUODEOHRSA-N 2 2 232.371 2.289 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000334645472 354434993 /nfs/dbraw/zinc/43/49/93/354434993.db2.gz HAYPQLPTGBNZMV-ZDUSSCGKSA-N 2 2 241.338 2.365 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000334645472 354434995 /nfs/dbraw/zinc/43/49/95/354434995.db2.gz HAYPQLPTGBNZMV-ZDUSSCGKSA-N 2 2 241.338 2.365 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CC1(C)C ZINC000623634441 366194023 /nfs/dbraw/zinc/19/40/23/366194023.db2.gz CDTXPPJKPPBZSU-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CC1(C)C ZINC000623634441 366194026 /nfs/dbraw/zinc/19/40/26/366194026.db2.gz CDTXPPJKPPBZSU-IJLUTSLNSA-N 2 2 210.365 2.105 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3CCC3)C2)[nH]1 ZINC000334657505 354452790 /nfs/dbraw/zinc/45/27/90/354452790.db2.gz YDDUKOKKPKFUQJ-GFCCVEGCSA-N 2 2 219.332 2.389 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3CCC3)C2)[nH]1 ZINC000334657505 354452793 /nfs/dbraw/zinc/45/27/93/354452793.db2.gz YDDUKOKKPKFUQJ-GFCCVEGCSA-N 2 2 219.332 2.389 20 0 BEADLP CCc1[nH+]ccn1Cc1cn2cc(C)ccc2[nH+]1 ZINC000179182351 366219585 /nfs/dbraw/zinc/21/95/85/366219585.db2.gz LDFGHJIGAJEVIH-UHFFFAOYSA-N 2 2 240.310 2.450 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2cccc(F)c2)CC1 ZINC000334737894 354540412 /nfs/dbraw/zinc/54/04/12/354540412.db2.gz MYWVTGMDYXEQBP-FZMZJTMJSA-N 2 2 248.345 2.355 20 0 BEADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000334700056 354492792 /nfs/dbraw/zinc/49/27/92/354492792.db2.gz ZKILXUVQUFDVTJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000334700056 354492793 /nfs/dbraw/zinc/49/27/93/354492793.db2.gz ZKILXUVQUFDVTJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000334700056 354492797 /nfs/dbraw/zinc/49/27/97/354492797.db2.gz ZKILXUVQUFDVTJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000334700056 354492799 /nfs/dbraw/zinc/49/27/99/354492799.db2.gz ZKILXUVQUFDVTJ-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Fc1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000334847291 354594389 /nfs/dbraw/zinc/59/43/89/354594389.db2.gz GCXWLBVITZIGLW-GFCCVEGCSA-N 2 2 242.725 2.321 20 0 BEADLP C[C@@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000335145403 354854449 /nfs/dbraw/zinc/85/44/49/354854449.db2.gz CNRTZMSOIKPGLP-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC000335145403 354854451 /nfs/dbraw/zinc/85/44/51/354854451.db2.gz CNRTZMSOIKPGLP-GFCCVEGCSA-N 2 2 221.348 2.227 20 0 BEADLP C[C@@H]([NH2+]CCF)c1cccc(-n2cc[nH+]c2)c1 ZINC000346613354 354993376 /nfs/dbraw/zinc/99/33/76/354993376.db2.gz MKZGTDIETVVGCI-LLVKDONJSA-N 2 2 233.290 2.492 20 0 BEADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335182461 355080374 /nfs/dbraw/zinc/08/03/74/355080374.db2.gz UFMNLUMNYJSTNL-IUODEOHRSA-N 2 2 245.370 2.275 20 0 BEADLP COc1ccccc1C[N@H+](CC(C)(C)[NH3+])C1CC1 ZINC000346837108 355131586 /nfs/dbraw/zinc/13/15/86/355131586.db2.gz PEVNMMZKLCRQHE-UHFFFAOYSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccccc1C[N@@H+](CC(C)(C)[NH3+])C1CC1 ZINC000346837108 355131588 /nfs/dbraw/zinc/13/15/88/355131588.db2.gz PEVNMMZKLCRQHE-UHFFFAOYSA-N 2 2 248.370 2.397 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CC1CCSCC1 ZINC000639247155 355276513 /nfs/dbraw/zinc/27/65/13/355276513.db2.gz QRIFBQREBLQMNK-UHFFFAOYSA-N 2 2 230.421 2.059 20 0 BEADLP CC(C)C1(C[NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000639270085 355339498 /nfs/dbraw/zinc/33/94/98/355339498.db2.gz DWGNJXFDMKAOLX-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccc(Cl)cc1F ZINC000414806905 191576872 /nfs/dbraw/zinc/57/68/72/191576872.db2.gz QQDPBUWWXGOMTP-UHFFFAOYSA-N 2 2 230.714 2.306 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000415011849 191650188 /nfs/dbraw/zinc/65/01/88/191650188.db2.gz IOLHHZRKJRHOFH-RQJHMYQMSA-N 2 2 218.753 2.227 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000414881238 191614040 /nfs/dbraw/zinc/61/40/40/191614040.db2.gz ADDLRWIYKCRAQT-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CS1 ZINC000639305774 355670335 /nfs/dbraw/zinc/67/03/35/355670335.db2.gz WZSBJIDOAHHZAS-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CS1 ZINC000639305774 355670336 /nfs/dbraw/zinc/67/03/36/355670336.db2.gz WZSBJIDOAHHZAS-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000639302105 355644877 /nfs/dbraw/zinc/64/48/77/355644877.db2.gz CELCCVYDWWCGGZ-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000639302105 355644878 /nfs/dbraw/zinc/64/48/78/355644878.db2.gz CELCCVYDWWCGGZ-GRYCIOLGSA-N 2 2 242.432 2.343 20 0 BEADLP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639305112 355654417 /nfs/dbraw/zinc/65/44/17/355654417.db2.gz JUKWSTQJYPNSMH-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639305112 355654421 /nfs/dbraw/zinc/65/44/21/355654421.db2.gz JUKWSTQJYPNSMH-CHWSQXEVSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)OC ZINC000639304751 355660250 /nfs/dbraw/zinc/66/02/50/355660250.db2.gz AZHLVXCJBYHCBA-TZMCWYRMSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@](C)(C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)OC ZINC000639304751 355660253 /nfs/dbraw/zinc/66/02/53/355660253.db2.gz AZHLVXCJBYHCBA-TZMCWYRMSA-N 2 2 242.407 2.264 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC13CCC3)C2 ZINC000336003074 134048036 /nfs/dbraw/zinc/04/80/36/134048036.db2.gz OTIDYXKKXMOUKO-ZWNOBZJWSA-N 2 2 231.343 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC13CCC3)CC2 ZINC000336003074 134048037 /nfs/dbraw/zinc/04/80/37/134048037.db2.gz OTIDYXKKXMOUKO-ZWNOBZJWSA-N 2 2 231.343 2.189 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC000389142865 355730561 /nfs/dbraw/zinc/73/05/61/355730561.db2.gz HNQOWKXFTATSPV-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC000389142865 355730562 /nfs/dbraw/zinc/73/05/62/355730562.db2.gz HNQOWKXFTATSPV-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC000389142864 355730796 /nfs/dbraw/zinc/73/07/96/355730796.db2.gz HNQOWKXFTATSPV-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC000389142864 355730800 /nfs/dbraw/zinc/73/08/00/355730800.db2.gz HNQOWKXFTATSPV-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c[nH+]1 ZINC000639377227 355904289 /nfs/dbraw/zinc/90/42/89/355904289.db2.gz JZJOVSJNBMDUPH-UMVBOHGHSA-N 2 2 248.370 2.478 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351321608 355978149 /nfs/dbraw/zinc/97/81/49/355978149.db2.gz BNTFVZGKCQDWLW-WOPDTQHZSA-N 2 2 219.332 2.245 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000351321608 355978153 /nfs/dbraw/zinc/97/81/53/355978153.db2.gz BNTFVZGKCQDWLW-WOPDTQHZSA-N 2 2 219.332 2.245 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391196 355982323 /nfs/dbraw/zinc/98/23/23/355982323.db2.gz QJJINPRCAGQNNX-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391196 355982325 /nfs/dbraw/zinc/98/23/25/355982325.db2.gz QJJINPRCAGQNNX-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC[C@@H](C)O)c[nH+]1 ZINC000351412081 355986874 /nfs/dbraw/zinc/98/68/74/355986874.db2.gz LEQMZFFUDJLDIR-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC[C@@H](C)O)c[nH+]1 ZINC000351412081 355986875 /nfs/dbraw/zinc/98/68/75/355986875.db2.gz LEQMZFFUDJLDIR-CYBMUJFWSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC[C@H](C)O)c[nH+]1 ZINC000351412087 355986979 /nfs/dbraw/zinc/98/69/79/355986979.db2.gz LEQMZFFUDJLDIR-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC[C@H](C)O)c[nH+]1 ZINC000351412087 355986981 /nfs/dbraw/zinc/98/69/81/355986981.db2.gz LEQMZFFUDJLDIR-ZDUSSCGKSA-N 2 2 236.359 2.025 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCC12CC2 ZINC000583641979 355948014 /nfs/dbraw/zinc/94/80/14/355948014.db2.gz KRVMVTGYTBVSGQ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCC12CC2 ZINC000583641979 355948016 /nfs/dbraw/zinc/94/80/16/355948016.db2.gz KRVMVTGYTBVSGQ-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@@H]1C ZINC000351232411 355965361 /nfs/dbraw/zinc/96/53/61/355965361.db2.gz XWSUUNCHDFJHKY-FQUUOJAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@@H]1C ZINC000351232411 355965366 /nfs/dbraw/zinc/96/53/66/355965366.db2.gz XWSUUNCHDFJHKY-FQUUOJAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H]1C ZINC000351232411 355965371 /nfs/dbraw/zinc/96/53/71/355965371.db2.gz XWSUUNCHDFJHKY-FQUUOJAGSA-N 2 2 222.376 2.201 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]1C ZINC000351232411 355965375 /nfs/dbraw/zinc/96/53/75/355965375.db2.gz XWSUUNCHDFJHKY-FQUUOJAGSA-N 2 2 222.376 2.201 20 0 BEADLP Cc1occc1C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393063 356064214 /nfs/dbraw/zinc/06/42/14/356064214.db2.gz RAGFGJHFDXXCTM-CQSZACIVSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393063 356064215 /nfs/dbraw/zinc/06/42/15/356064215.db2.gz RAGFGJHFDXXCTM-CQSZACIVSA-N 2 2 234.343 2.114 20 0 BEADLP CC1(C)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000639393545 356059738 /nfs/dbraw/zinc/05/97/38/356059738.db2.gz MUXGHBWYVXHNTO-UHFFFAOYSA-N 2 2 215.300 2.176 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000336126164 134092862 /nfs/dbraw/zinc/09/28/62/134092862.db2.gz MSRBQGLWDHWOFF-JSGCOSHPSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000336126164 134092863 /nfs/dbraw/zinc/09/28/63/134092863.db2.gz MSRBQGLWDHWOFF-JSGCOSHPSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000336126164 134092864 /nfs/dbraw/zinc/09/28/64/134092864.db2.gz MSRBQGLWDHWOFF-JSGCOSHPSA-N 2 2 249.358 2.072 20 0 BEADLP Cc1cnc([C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000336126164 134092865 /nfs/dbraw/zinc/09/28/65/134092865.db2.gz MSRBQGLWDHWOFF-JSGCOSHPSA-N 2 2 249.358 2.072 20 0 BEADLP CCc1cccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000420291858 192202836 /nfs/dbraw/zinc/20/28/36/192202836.db2.gz ODJGNDWLFDOEDL-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000420291858 192202837 /nfs/dbraw/zinc/20/28/37/192202837.db2.gz ODJGNDWLFDOEDL-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CSc1ccccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000420292312 192203175 /nfs/dbraw/zinc/20/31/75/192203175.db2.gz PFBYASCACQQBOO-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000420292312 192203178 /nfs/dbraw/zinc/20/31/78/192203178.db2.gz PFBYASCACQQBOO-GFCCVEGCSA-N 2 2 236.384 2.332 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420352669 192218015 /nfs/dbraw/zinc/21/80/15/192218015.db2.gz AUYKQVIMYZUZTR-ZIAGYGMSSA-N 2 2 248.370 2.043 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420352669 192218018 /nfs/dbraw/zinc/21/80/18/192218018.db2.gz AUYKQVIMYZUZTR-ZIAGYGMSSA-N 2 2 248.370 2.043 20 0 BEADLP CCC(F)(F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000639518510 356361696 /nfs/dbraw/zinc/36/16/96/356361696.db2.gz IVRPDDQOJILVTF-NWDGAFQWSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000639518510 356361697 /nfs/dbraw/zinc/36/16/97/356361697.db2.gz IVRPDDQOJILVTF-NWDGAFQWSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000639518510 356361698 /nfs/dbraw/zinc/36/16/98/356361698.db2.gz IVRPDDQOJILVTF-NWDGAFQWSA-N 2 2 246.345 2.448 20 0 BEADLP CCC(F)(F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000639518510 356361699 /nfs/dbraw/zinc/36/16/99/356361699.db2.gz IVRPDDQOJILVTF-NWDGAFQWSA-N 2 2 246.345 2.448 20 0 BEADLP COc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420366301 192226516 /nfs/dbraw/zinc/22/65/16/192226516.db2.gz MBEMDJWAUDYCCW-LALPHHSUSA-N 2 2 248.370 2.171 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000420370299 192226980 /nfs/dbraw/zinc/22/69/80/192226980.db2.gz OXFARJBCQAEJPN-UHIISALHSA-N 2 2 236.334 2.302 20 0 BEADLP CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](C)[NH3+] ZINC000420327771 192230706 /nfs/dbraw/zinc/23/07/06/192230706.db2.gz YRSKQQNAFXIFAW-LLVKDONJSA-N 2 2 224.323 2.385 20 0 BEADLP CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](C)[NH3+] ZINC000420327771 192230709 /nfs/dbraw/zinc/23/07/09/192230709.db2.gz YRSKQQNAFXIFAW-LLVKDONJSA-N 2 2 224.323 2.385 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccccc1F ZINC000420360055 192221758 /nfs/dbraw/zinc/22/17/58/192221758.db2.gz GTWZOGWMYPBIRA-GYSYKLTISA-N 2 2 236.334 2.302 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccn1 ZINC000420361751 192221897 /nfs/dbraw/zinc/22/18/97/192221897.db2.gz IIXAUYBVRDZORJ-OWTLIXCDSA-N 2 2 233.359 2.119 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000420362851 192224747 /nfs/dbraw/zinc/22/47/47/192224747.db2.gz JABVGAWIPKCDKQ-SUNKGSAMSA-N 2 2 236.334 2.302 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000420382164 192235788 /nfs/dbraw/zinc/23/57/88/192235788.db2.gz YMJBLUHRYOVLKR-WDEREUQCSA-N 2 2 222.332 2.083 20 0 BEADLP [NH3+]CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000420408568 192239864 /nfs/dbraw/zinc/23/98/64/192239864.db2.gz PNZNZGCESLZWFE-UHFFFAOYSA-N 2 2 240.297 2.282 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1OC ZINC000216582856 356462818 /nfs/dbraw/zinc/46/28/18/356462818.db2.gz RGTRLSSVVRDAGC-NEPJUHHUSA-N 2 2 236.359 2.344 20 0 BEADLP CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1Cl ZINC000420635235 192252942 /nfs/dbraw/zinc/25/29/42/192252942.db2.gz LPNTWTBIBRBMHD-JTQLQIEISA-N 2 2 239.750 2.265 20 0 BEADLP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]cc1Cl ZINC000420635235 192252946 /nfs/dbraw/zinc/25/29/46/192252946.db2.gz LPNTWTBIBRBMHD-JTQLQIEISA-N 2 2 239.750 2.265 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@]2(C)CO)c(C)[nH+]1 ZINC000639585892 356503872 /nfs/dbraw/zinc/50/38/72/356503872.db2.gz XGYSDRCYULPYCL-HNNXBMFYSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@@]2(C)CO)c(C)[nH+]1 ZINC000639585892 356503875 /nfs/dbraw/zinc/50/38/75/356503875.db2.gz XGYSDRCYULPYCL-HNNXBMFYSA-N 2 2 248.370 2.354 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420965945 192283555 /nfs/dbraw/zinc/28/35/55/192283555.db2.gz TZUUFNHNSLSVKT-CQSZACIVSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420965945 192283558 /nfs/dbraw/zinc/28/35/58/192283558.db2.gz TZUUFNHNSLSVKT-CQSZACIVSA-N 2 2 247.386 2.475 20 0 BEADLP CC[C@@]1(O)CC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639597388 356516387 /nfs/dbraw/zinc/51/63/87/356516387.db2.gz FKTKHDAWLMAIRI-OAHLLOKOSA-N 2 2 248.370 2.354 20 0 BEADLP CC[C@@]1(O)CC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639597388 356516390 /nfs/dbraw/zinc/51/63/90/356516390.db2.gz FKTKHDAWLMAIRI-OAHLLOKOSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c(C)[nH+]1 ZINC000639618633 356535783 /nfs/dbraw/zinc/53/57/83/356535783.db2.gz QSHQNJJQPFMYDT-CQSZACIVSA-N 2 2 248.370 2.210 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623339540 356737348 /nfs/dbraw/zinc/73/73/48/356737348.db2.gz DBRNWZZLBIOLIR-UBHSHLNASA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000623339541 356737398 /nfs/dbraw/zinc/73/73/98/356737398.db2.gz DBRNWZZLBIOLIR-XBFCOCLRSA-N 2 2 222.376 2.106 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000088568122 356740673 /nfs/dbraw/zinc/74/06/73/356740673.db2.gz HFUZALBEYHCVMQ-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000088568122 356740675 /nfs/dbraw/zinc/74/06/75/356740675.db2.gz HFUZALBEYHCVMQ-HNNXBMFYSA-N 2 2 248.370 2.017 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155851657 538737776 /nfs/dbraw/zinc/73/77/76/538737776.db2.gz JUVIMKSUPKMYGI-WCQYABFASA-N 2 2 238.400 2.363 20 0 BEADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155851657 538737779 /nfs/dbraw/zinc/73/77/79/538737779.db2.gz JUVIMKSUPKMYGI-WCQYABFASA-N 2 2 238.400 2.363 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000423224612 192634577 /nfs/dbraw/zinc/63/45/77/192634577.db2.gz JOKHLKYGRUUDMP-AWEZNQCLSA-N 2 2 218.344 2.255 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000423224567 192635645 /nfs/dbraw/zinc/63/56/45/192635645.db2.gz JJFROEYNQJJUJK-LLVKDONJSA-N 2 2 240.347 2.172 20 0 BEADLP CCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389868592 357056666 /nfs/dbraw/zinc/05/66/66/357056666.db2.gz IDUAJYOFGOZNTQ-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389868592 357056669 /nfs/dbraw/zinc/05/66/69/357056669.db2.gz IDUAJYOFGOZNTQ-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389868593 357056854 /nfs/dbraw/zinc/05/68/54/357056854.db2.gz IDUAJYOFGOZNTQ-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389868593 357056858 /nfs/dbraw/zinc/05/68/58/357056858.db2.gz IDUAJYOFGOZNTQ-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CC1 ZINC000390567233 357105357 /nfs/dbraw/zinc/10/53/57/357105357.db2.gz UEEBJZBOMLNYCY-CYBMUJFWSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]CC[NH+]1CCCC1 ZINC000166443611 538793529 /nfs/dbraw/zinc/79/35/29/538793529.db2.gz PQOLTSZYGXEUAW-GFCCVEGCSA-N 2 2 238.400 2.365 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000389932602 357069621 /nfs/dbraw/zinc/06/96/21/357069621.db2.gz LMWYJLMLIPRAMX-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000389932602 357069626 /nfs/dbraw/zinc/06/96/26/357069626.db2.gz LMWYJLMLIPRAMX-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)o1 ZINC000423261622 192656295 /nfs/dbraw/zinc/65/62/95/192656295.db2.gz KIOORSNYZXKMTR-GHMZBOCLSA-N 2 2 210.321 2.222 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000391169760 357125034 /nfs/dbraw/zinc/12/50/34/357125034.db2.gz FQQXUPXYXKQYBK-LSDHHAIUSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccn1 ZINC000391169760 357125036 /nfs/dbraw/zinc/12/50/36/357125036.db2.gz FQQXUPXYXKQYBK-LSDHHAIUSA-N 2 2 245.370 2.106 20 0 BEADLP C([NH2+]C1CSC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000628419562 357239937 /nfs/dbraw/zinc/23/99/37/357239937.db2.gz UXUNKNDBXSKDGX-ZDUSSCGKSA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+]C1CSC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628419562 357239939 /nfs/dbraw/zinc/23/99/39/357239939.db2.gz UXUNKNDBXSKDGX-ZDUSSCGKSA-N 2 2 240.416 2.098 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]1C ZINC000393745922 357295306 /nfs/dbraw/zinc/29/53/06/357295306.db2.gz LYGJGIFGONPMSG-JHJVBQTASA-N 2 2 221.348 2.297 20 0 BEADLP COCCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000395424276 357433110 /nfs/dbraw/zinc/43/31/10/357433110.db2.gz VQDAQZZGQWFBSR-ZDUSSCGKSA-N 2 2 239.363 2.068 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CCC[NH+](C)C)c[nH+]1 ZINC000582753323 357380716 /nfs/dbraw/zinc/38/07/16/357380716.db2.gz YGTYHFYGNHQILT-UHFFFAOYSA-N 3 2 249.402 2.206 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CCC[NH+](C)C)c[nH+]1 ZINC000582753323 357380719 /nfs/dbraw/zinc/38/07/19/357380719.db2.gz YGTYHFYGNHQILT-UHFFFAOYSA-N 3 2 249.402 2.206 20 0 BEADLP Cc1[nH+]cc(CNc2cc3c(c[nH+]2)CCC3)n1C ZINC000583095112 357478979 /nfs/dbraw/zinc/47/89/79/357478979.db2.gz XDNPSYUOTJSICK-UHFFFAOYSA-N 2 2 242.326 2.224 20 0 BEADLP CO[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000189123588 357616365 /nfs/dbraw/zinc/61/63/65/357616365.db2.gz MUUKOWYXHNXBJM-RYUDHWBXSA-N 2 2 247.342 2.156 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000232551424 357671046 /nfs/dbraw/zinc/67/10/46/357671046.db2.gz YPCJZDSLNRCZJA-OTTFEQOBSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000232551424 357671047 /nfs/dbraw/zinc/67/10/47/357671047.db2.gz YPCJZDSLNRCZJA-OTTFEQOBSA-N 2 2 222.376 2.247 20 0 BEADLP CCC(=O)CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000233467955 357724243 /nfs/dbraw/zinc/72/42/43/357724243.db2.gz WOTNRWNZOCJJIU-UHFFFAOYSA-N 2 2 240.391 2.162 20 0 BEADLP CCC(=O)CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000233467955 357724248 /nfs/dbraw/zinc/72/42/48/357724248.db2.gz WOTNRWNZOCJJIU-UHFFFAOYSA-N 2 2 240.391 2.162 20 0 BEADLP CCc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1C ZINC000234132440 357775661 /nfs/dbraw/zinc/77/56/61/357775661.db2.gz CTXCUUGDAOCUIV-LBPRGKRZSA-N 2 2 221.348 2.320 20 0 BEADLP CCc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1C ZINC000234132440 357775665 /nfs/dbraw/zinc/77/56/65/357775665.db2.gz CTXCUUGDAOCUIV-LBPRGKRZSA-N 2 2 221.348 2.320 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397882646 357781056 /nfs/dbraw/zinc/78/10/56/357781056.db2.gz ZPUVNRAUVYNTML-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000086099687 357853630 /nfs/dbraw/zinc/85/36/30/357853630.db2.gz DBSXUSQVBNWBSU-LBPRGKRZSA-N 2 2 236.384 2.202 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000086099687 357853633 /nfs/dbraw/zinc/85/36/33/357853633.db2.gz DBSXUSQVBNWBSU-LBPRGKRZSA-N 2 2 236.384 2.202 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000235460644 357870291 /nfs/dbraw/zinc/87/02/91/357870291.db2.gz ZWGNDGJKPYLBRX-LDYMZIIASA-N 2 2 240.347 2.299 20 0 BEADLP Cc1ccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c(C)[nH+]1 ZINC000399396418 357905423 /nfs/dbraw/zinc/90/54/23/357905423.db2.gz VBQMKRZQYZJTQV-GWCFXTLKSA-N 2 2 249.358 2.256 20 0 BEADLP Cc1ccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c(C)[nH+]1 ZINC000399396423 357905629 /nfs/dbraw/zinc/90/56/29/357905629.db2.gz VBQMKRZQYZJTQV-ZWNOBZJWSA-N 2 2 249.358 2.256 20 0 BEADLP C[NH2+]CCSCCc1[nH+]c2ccccc2n1C ZINC000584410705 357913933 /nfs/dbraw/zinc/91/39/33/357913933.db2.gz WCVYUHGEXZGGBJ-UHFFFAOYSA-N 2 2 249.383 2.068 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1CCC1 ZINC000309095192 168771953 /nfs/dbraw/zinc/77/19/53/168771953.db2.gz DQNYZWYGSCSULJ-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCC1 ZINC000309095192 168771954 /nfs/dbraw/zinc/77/19/54/168771954.db2.gz DQNYZWYGSCSULJ-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1cc(N[C@@H](C)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000168942513 134248679 /nfs/dbraw/zinc/24/86/79/134248679.db2.gz MHLUCALFTHXEAY-NSHDSACASA-N 2 2 236.363 2.270 20 0 BEADLP CSCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180320246 366417959 /nfs/dbraw/zinc/41/79/59/366417959.db2.gz TWLTVWMJZPHHDO-UHFFFAOYSA-N 2 2 235.356 2.129 20 0 BEADLP CSCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180320246 366417964 /nfs/dbraw/zinc/41/79/64/366417964.db2.gz TWLTVWMJZPHHDO-UHFFFAOYSA-N 2 2 235.356 2.129 20 0 BEADLP CC[C@@H](C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000045105725 358399901 /nfs/dbraw/zinc/39/99/01/358399901.db2.gz GTEYSZDUAKYCAX-GFCCVEGCSA-N 2 2 209.337 2.299 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044683873 358551384 /nfs/dbraw/zinc/55/13/84/358551384.db2.gz CAWXUQKBLHATDM-ZDUSSCGKSA-N 2 2 234.318 2.152 20 0 BEADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044683873 358551386 /nfs/dbraw/zinc/55/13/86/358551386.db2.gz CAWXUQKBLHATDM-ZDUSSCGKSA-N 2 2 234.318 2.152 20 0 BEADLP CCCC[C@@H](COC)[NH2+]CC[NH+]1CCCCC1 ZINC000128257986 358572841 /nfs/dbraw/zinc/57/28/41/358572841.db2.gz ZWFPUMUUYPRYMR-AWEZNQCLSA-N 2 2 242.407 2.267 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CC[NH+]1CCCC1 ZINC000132176120 491134648 /nfs/dbraw/zinc/13/46/48/491134648.db2.gz IPQWAPLHAABSBQ-LBPRGKRZSA-N 2 2 210.365 2.251 20 0 BEADLP CCCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000261929027 535432399 /nfs/dbraw/zinc/43/23/99/535432399.db2.gz CNAJIYZRLUDGRL-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP CCCc1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000261929027 535432401 /nfs/dbraw/zinc/43/24/01/535432401.db2.gz CNAJIYZRLUDGRL-DOMZBBRYSA-N 2 2 232.371 2.418 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC000175593129 134288013 /nfs/dbraw/zinc/28/80/13/134288013.db2.gz XDKTWDFQOAUADG-HNFQPOCMSA-N 2 2 228.767 2.298 20 0 BEADLP Cl/C=C/C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131834398 358696327 /nfs/dbraw/zinc/69/63/27/358696327.db2.gz NFZNMYVMFDLQPN-ZGTSGANGSA-N 2 2 238.718 2.287 20 0 BEADLP Cl/C=C/C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131834398 358696332 /nfs/dbraw/zinc/69/63/32/358696332.db2.gz NFZNMYVMFDLQPN-ZGTSGANGSA-N 2 2 238.718 2.287 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC1 ZINC000132795435 358736302 /nfs/dbraw/zinc/73/63/02/358736302.db2.gz MOPCFMKQGJCNNG-DOMZBBRYSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC1 ZINC000132795435 358736306 /nfs/dbraw/zinc/73/63/06/358736306.db2.gz MOPCFMKQGJCNNG-DOMZBBRYSA-N 2 2 245.370 2.044 20 0 BEADLP Cc1cc(N[C@H](C)CC[NH3+])nc(C(C)C)[nH+]1 ZINC000134269646 358784517 /nfs/dbraw/zinc/78/45/17/358784517.db2.gz HPKUSIJLDQVQLZ-SECBINFHSA-N 2 2 222.336 2.058 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CCCC1 ZINC000054080310 358851138 /nfs/dbraw/zinc/85/11/38/358851138.db2.gz UTVMPLGUHBBLFW-NWDGAFQWSA-N 2 2 221.348 2.440 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000069794219 359033995 /nfs/dbraw/zinc/03/39/95/359033995.db2.gz XUTGYZQCQOHTRC-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000069794219 359033999 /nfs/dbraw/zinc/03/39/99/359033999.db2.gz XUTGYZQCQOHTRC-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000070359628 359051613 /nfs/dbraw/zinc/05/16/13/359051613.db2.gz BEHSYTZNDZTVCY-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000070477758 359056559 /nfs/dbraw/zinc/05/65/59/359056559.db2.gz QAKAVXVEZFCPBK-LBPRGKRZSA-N 2 2 248.374 2.002 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2scnc2C)CC1 ZINC000070836439 359064068 /nfs/dbraw/zinc/06/40/68/359064068.db2.gz NEHBCTVGQKIZQV-UHFFFAOYSA-N 2 2 239.388 2.025 20 0 BEADLP COC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000246985059 359180061 /nfs/dbraw/zinc/18/00/61/359180061.db2.gz JYRGQOPVLOLYOH-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000246985059 359180067 /nfs/dbraw/zinc/18/00/67/359180067.db2.gz JYRGQOPVLOLYOH-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](COC)C(C)C ZINC000247952675 359250100 /nfs/dbraw/zinc/25/01/00/359250100.db2.gz FEWPJTRIXNVPAI-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](COC)C(C)C ZINC000247952675 359250103 /nfs/dbraw/zinc/25/01/03/359250103.db2.gz FEWPJTRIXNVPAI-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000308892563 491139818 /nfs/dbraw/zinc/13/98/18/491139818.db2.gz YDUDZQGSJDLPSE-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000308892563 491139819 /nfs/dbraw/zinc/13/98/19/491139819.db2.gz YDUDZQGSJDLPSE-WCQYABFASA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000628477257 359312650 /nfs/dbraw/zinc/31/26/50/359312650.db2.gz OKRLSHZAWNVDGN-HRCADAONSA-N 2 2 244.382 2.474 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000628477257 359312654 /nfs/dbraw/zinc/31/26/54/359312654.db2.gz OKRLSHZAWNVDGN-HRCADAONSA-N 2 2 244.382 2.474 20 0 BEADLP CN(C)c1[nH+]cc(C[NH2+]CC2=CCCCC2)n1C ZINC000379573684 359549243 /nfs/dbraw/zinc/54/92/43/359549243.db2.gz VHFYFPFNWWDDAI-UHFFFAOYSA-N 2 2 248.374 2.076 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000309038721 491143087 /nfs/dbraw/zinc/14/30/87/491143087.db2.gz JUBNDPCRBQUIIX-OLZOCXBDSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309039576 491143093 /nfs/dbraw/zinc/14/30/93/491143093.db2.gz KLSNIDMQNGVWAR-NWDGAFQWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H](Cc1cccs1)[NH2+]CC[NH+](C)C ZINC000309054612 491143512 /nfs/dbraw/zinc/14/35/12/491143512.db2.gz SYPURXYSSABYGT-NSHDSACASA-N 2 2 226.389 2.220 20 0 BEADLP C([NH2+][C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676272 359723366 /nfs/dbraw/zinc/72/33/66/359723366.db2.gz PCGYKBXUZDJKTJ-CRWXNKLISA-N 2 2 234.387 2.249 20 0 BEADLP C([NH2+][C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403676272 359723372 /nfs/dbraw/zinc/72/33/72/359723372.db2.gz PCGYKBXUZDJKTJ-CRWXNKLISA-N 2 2 234.387 2.249 20 0 BEADLP Cc1csc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000087393684 359911485 /nfs/dbraw/zinc/91/14/85/359911485.db2.gz FDIOSRMYTSBQJX-MNOVXSKESA-N 2 2 239.388 2.011 20 0 BEADLP Cc1csc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000087393684 359911489 /nfs/dbraw/zinc/91/14/89/359911489.db2.gz FDIOSRMYTSBQJX-MNOVXSKESA-N 2 2 239.388 2.011 20 0 BEADLP Cc1cccc(C)c1C[NH2+]C1CC([NH+](C)C)C1 ZINC000578882648 366667914 /nfs/dbraw/zinc/66/79/14/366667914.db2.gz OLNXMYKLYXDHIP-UHFFFAOYSA-N 2 2 232.371 2.486 20 0 BEADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000090720920 360085394 /nfs/dbraw/zinc/08/53/94/360085394.db2.gz LMZOQWJLMQYUEL-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000090720920 360085395 /nfs/dbraw/zinc/08/53/95/360085395.db2.gz LMZOQWJLMQYUEL-MWLCHTKSSA-N 2 2 239.388 2.024 20 0 BEADLP COc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721054 360085553 /nfs/dbraw/zinc/08/55/53/360085553.db2.gz AYYBMXHVSDFZNR-OCCSQVGLSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721054 360085554 /nfs/dbraw/zinc/08/55/54/360085554.db2.gz AYYBMXHVSDFZNR-OCCSQVGLSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090721053 360085684 /nfs/dbraw/zinc/08/56/84/360085684.db2.gz AYYBMXHVSDFZNR-GXTWGEPZSA-N 2 2 248.370 2.268 20 0 BEADLP COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090721053 360085685 /nfs/dbraw/zinc/08/56/85/360085685.db2.gz AYYBMXHVSDFZNR-GXTWGEPZSA-N 2 2 248.370 2.268 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094370793 360306245 /nfs/dbraw/zinc/30/62/45/360306245.db2.gz ZXNOHDIBWFYERA-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000132120907 360426933 /nfs/dbraw/zinc/42/69/33/360426933.db2.gz RYZSRBUZGZJLGB-NEPJUHHUSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000133304424 491150586 /nfs/dbraw/zinc/15/05/86/491150586.db2.gz LUDJRTBOTQADDF-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H](CC1CCC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000133304424 491150587 /nfs/dbraw/zinc/15/05/87/491150587.db2.gz LUDJRTBOTQADDF-YPMHNXCESA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000629407755 361056720 /nfs/dbraw/zinc/05/67/20/361056720.db2.gz JYZCAOGEGVPTCL-XHDPSFHLSA-N 2 2 230.355 2.404 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396676 361044796 /nfs/dbraw/zinc/04/47/96/361044796.db2.gz NWWRGJYPFUYUCY-BXUZGUMPSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396276 361044833 /nfs/dbraw/zinc/04/48/33/361044833.db2.gz JYBPPQHTEXXPIA-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1F ZINC000629396947 361047098 /nfs/dbraw/zinc/04/70/98/361047098.db2.gz RQXSAHWOZCVPCQ-DGCLKSJQSA-N 2 2 236.334 2.364 20 0 BEADLP CCCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629406391 361054262 /nfs/dbraw/zinc/05/42/62/361054262.db2.gz MRVMQCJDGZZHAL-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000629406942 361054384 /nfs/dbraw/zinc/05/43/84/361054384.db2.gz RIGWNWPGTBCQHS-IONNQARKSA-N 2 2 230.764 2.242 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000309670054 491154315 /nfs/dbraw/zinc/15/43/15/491154315.db2.gz JLFIUZIUKQSSTI-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)ccc1Cl ZINC000629408740 361059263 /nfs/dbraw/zinc/05/92/63/361059263.db2.gz ZFHKOKPYHOXVLW-GXFFZTMASA-N 2 2 238.762 2.488 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2CCC3)C[NH2+]1 ZINC000629418376 361063269 /nfs/dbraw/zinc/06/32/69/361063269.db2.gz XKFSKMJUQQXZOG-SWLSCSKDSA-N 2 2 244.382 2.405 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000309670052 491154333 /nfs/dbraw/zinc/15/43/33/491154333.db2.gz JLFIUZIUKQSSTI-KGLIPLIRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000629523841 361121967 /nfs/dbraw/zinc/12/19/67/361121967.db2.gz JNOAUKBIYHPEOS-TUKIKUTGSA-N 2 2 248.370 2.486 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000629524640 361125946 /nfs/dbraw/zinc/12/59/46/361125946.db2.gz RVFWUYAPDUFGNX-RRFJBIMHSA-N 2 2 230.355 2.404 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000579137395 366723241 /nfs/dbraw/zinc/72/32/41/366723241.db2.gz AZERKVAZAUYTKR-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CC[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000579137395 366723244 /nfs/dbraw/zinc/72/32/44/366723244.db2.gz AZERKVAZAUYTKR-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)CC[C@H]([NH2+]CC[NH+](C)C)C1CC1 ZINC000336660275 361328779 /nfs/dbraw/zinc/32/87/79/361328779.db2.gz BURCSADVJSHMCN-ZDUSSCGKSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309822884 491157327 /nfs/dbraw/zinc/15/73/27/491157327.db2.gz WSOWRVCXUOJQJZ-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000629536127 361398612 /nfs/dbraw/zinc/39/86/12/361398612.db2.gz FUDFOBXZVHHOIL-QXEWZRGKSA-N 2 2 239.388 2.243 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2nc3ccccc3s2)CCC1 ZINC000342152727 181333064 /nfs/dbraw/zinc/33/30/64/181333064.db2.gz YOIWGHFAIOEXRP-UHFFFAOYSA-N 2 2 247.367 2.267 20 0 BEADLP C[C@H](c1cccnc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092375 366785177 /nfs/dbraw/zinc/78/51/77/366785177.db2.gz OHTNPBMSXKKKHV-CYBMUJFWSA-N 2 2 244.342 2.361 20 0 BEADLP C[C@H](c1cccnc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092375 366785181 /nfs/dbraw/zinc/78/51/81/366785181.db2.gz OHTNPBMSXKKKHV-CYBMUJFWSA-N 2 2 244.342 2.361 20 0 BEADLP COCC(C)(C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000430118942 201145492 /nfs/dbraw/zinc/14/54/92/201145492.db2.gz FUOIYTGUHNOBQU-UHFFFAOYSA-N 2 2 247.342 2.191 20 0 BEADLP COCC(C)(C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000430118942 201145494 /nfs/dbraw/zinc/14/54/94/201145494.db2.gz FUOIYTGUHNOBQU-UHFFFAOYSA-N 2 2 247.342 2.191 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)n1 ZINC000629543074 361421522 /nfs/dbraw/zinc/42/15/22/361421522.db2.gz SBHKIHPABOYVJI-LEWSCRJBSA-N 2 2 247.386 2.490 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000629546279 361427587 /nfs/dbraw/zinc/42/75/87/361427587.db2.gz RLZGWZUIEWLVPB-IVZWLZJFSA-N 2 2 210.346 2.149 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)c(F)c1 ZINC000629547066 361430288 /nfs/dbraw/zinc/43/02/88/361430288.db2.gz FTZRJLRYHXAWFA-VYUIOLGVSA-N 2 2 240.297 2.366 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000629547811 361431146 /nfs/dbraw/zinc/43/11/46/361431146.db2.gz UVAFCOZWBRBFMZ-GLQYFDAESA-N 2 2 245.370 2.263 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000430038415 201138019 /nfs/dbraw/zinc/13/80/19/201138019.db2.gz BFSCAGOYNMVDOK-SRVKXCTJSA-N 2 2 246.345 2.352 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000430038415 201138022 /nfs/dbraw/zinc/13/80/22/201138022.db2.gz BFSCAGOYNMVDOK-SRVKXCTJSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000629548908 361434542 /nfs/dbraw/zinc/43/45/42/361434542.db2.gz RZEMLQIKCSTJRP-CUOATXAZSA-N 2 2 234.318 2.153 20 0 BEADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629553561 361438772 /nfs/dbraw/zinc/43/87/72/361438772.db2.gz ZPDJTNMAQQUDLX-HUUCEWRRSA-N 2 2 230.355 2.479 20 0 BEADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553441 361439203 /nfs/dbraw/zinc/43/92/03/361439203.db2.gz OWOUIVITGBYOOL-RWSFTLGLSA-N 2 2 248.345 2.401 20 0 BEADLP COC1(C[NH2+]C[C@@H]([NH3+])c2ccccc2)CCCC1 ZINC000629647652 361537391 /nfs/dbraw/zinc/53/73/91/361537391.db2.gz DBCVRMANCCFORA-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629659773 361564360 /nfs/dbraw/zinc/56/43/60/361564360.db2.gz GTQPDJHTPKMLHH-DZGCQCFKSA-N 2 2 247.386 2.053 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c[nH+]1 ZINC000629659773 361564364 /nfs/dbraw/zinc/56/43/64/361564364.db2.gz GTQPDJHTPKMLHH-DZGCQCFKSA-N 3 2 247.386 2.053 20 0 BEADLP CCOc1ccc(C[N@H+](CC)CC[NH3+])cc1F ZINC000629651617 361557199 /nfs/dbraw/zinc/55/71/99/361557199.db2.gz UTXQIPVIZVNMSZ-UHFFFAOYSA-N 2 2 240.322 2.005 20 0 BEADLP CCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1F ZINC000629651617 361557205 /nfs/dbraw/zinc/55/72/05/361557205.db2.gz UTXQIPVIZVNMSZ-UHFFFAOYSA-N 2 2 240.322 2.005 20 0 BEADLP COc1cccc2c1C[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000629661938 361594459 /nfs/dbraw/zinc/59/44/59/361594459.db2.gz FGYFTJMAJTZKRT-OAHLLOKOSA-N 2 2 246.354 2.010 20 0 BEADLP COc1cccc2c1C[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000629661938 361594463 /nfs/dbraw/zinc/59/44/63/361594463.db2.gz FGYFTJMAJTZKRT-OAHLLOKOSA-N 2 2 246.354 2.010 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000448555528 201259172 /nfs/dbraw/zinc/25/91/72/201259172.db2.gz LVAAIXFBCLZCDQ-UHFFFAOYSA-N 2 2 207.321 2.004 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000448555528 201259173 /nfs/dbraw/zinc/25/91/73/201259173.db2.gz LVAAIXFBCLZCDQ-UHFFFAOYSA-N 2 2 207.321 2.004 20 0 BEADLP COc1ccc2oc(C[N@H+](C)[C@@H](C)C[NH3+])cc2c1 ZINC000435377126 201264709 /nfs/dbraw/zinc/26/47/09/201264709.db2.gz YGIOGIAJVUXPAK-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP COc1ccc2oc(C[N@@H+](C)[C@@H](C)C[NH3+])cc2c1 ZINC000435377126 201264710 /nfs/dbraw/zinc/26/47/10/201264710.db2.gz YGIOGIAJVUXPAK-JTQLQIEISA-N 2 2 248.326 2.220 20 0 BEADLP CCCc1cccc(C[N@@H+]2CC[C@@H]([NH2+]C)C2)c1 ZINC000435376603 201265996 /nfs/dbraw/zinc/26/59/96/201265996.db2.gz RXXPPQPPAYBGJG-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1cccc(C[N@H+]2CC[C@@H]([NH2+]C)C2)c1 ZINC000435376603 201266000 /nfs/dbraw/zinc/26/60/00/201266000.db2.gz RXXPPQPPAYBGJG-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154598457 201286245 /nfs/dbraw/zinc/28/62/45/201286245.db2.gz JDIZORRKBUGLRP-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154598457 201286249 /nfs/dbraw/zinc/28/62/49/201286249.db2.gz JDIZORRKBUGLRP-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000235707941 541325547 /nfs/dbraw/zinc/32/55/47/541325547.db2.gz LHOMZMUDNSSCIY-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000235707941 541325555 /nfs/dbraw/zinc/32/55/55/541325555.db2.gz LHOMZMUDNSSCIY-CYBMUJFWSA-N 2 2 240.297 2.136 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(O)c1 ZINC000398949080 364201918 /nfs/dbraw/zinc/20/19/18/364201918.db2.gz AXLSTEHHTGUMSG-NQBHXWOUSA-N 2 2 234.343 2.183 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398959892 364280683 /nfs/dbraw/zinc/28/06/83/364280683.db2.gz LPQMHQOUFFHQEH-TZMCWYRMSA-N 2 2 218.344 2.225 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[NH2+]1 ZINC000398968330 364377685 /nfs/dbraw/zinc/37/76/85/364377685.db2.gz SYKISTVYULVPOF-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000398964584 364378578 /nfs/dbraw/zinc/37/85/78/364378578.db2.gz PPRXCIIUNWHWHN-MBNYWOFBSA-N 2 2 218.344 2.478 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[NH2+]1 ZINC000398961753 364379042 /nfs/dbraw/zinc/37/90/42/364379042.db2.gz NFIDXVWEYWEZIZ-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000181593608 366829222 /nfs/dbraw/zinc/82/92/22/366829222.db2.gz XCNWMQFFKQAAIT-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000181593608 366829224 /nfs/dbraw/zinc/82/92/24/366829224.db2.gz XCNWMQFFKQAAIT-QWHCGFSZSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000181593591 366829237 /nfs/dbraw/zinc/82/92/37/366829237.db2.gz XCNWMQFFKQAAIT-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000181593591 366829239 /nfs/dbraw/zinc/82/92/39/366829239.db2.gz XCNWMQFFKQAAIT-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000226508469 541365210 /nfs/dbraw/zinc/36/52/10/541365210.db2.gz OMPZXEHZATWGHE-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000226508469 541365214 /nfs/dbraw/zinc/36/52/14/541365214.db2.gz OMPZXEHZATWGHE-CQSZACIVSA-N 2 2 236.334 2.318 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252880302 364676227 /nfs/dbraw/zinc/67/62/27/364676227.db2.gz YGQYWGSFXQSUSW-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252880302 364676231 /nfs/dbraw/zinc/67/62/31/364676231.db2.gz YGQYWGSFXQSUSW-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734140 364729104 /nfs/dbraw/zinc/72/91/04/364729104.db2.gz BWPCLNADPVOUQZ-GXFFZTMASA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000309734140 364729107 /nfs/dbraw/zinc/72/91/07/364729107.db2.gz BWPCLNADPVOUQZ-GXFFZTMASA-N 2 2 220.360 2.001 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000335005428 541419295 /nfs/dbraw/zinc/41/92/95/541419295.db2.gz AWWCSAWEADXJJL-TZMCWYRMSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000335005428 541419302 /nfs/dbraw/zinc/41/93/02/541419302.db2.gz AWWCSAWEADXJJL-TZMCWYRMSA-N 2 2 249.358 2.120 20 0 BEADLP [NH3+]CCC[N@@H+](Cc1cocn1)CC1CCCC1 ZINC000352540610 181379674 /nfs/dbraw/zinc/37/96/74/181379674.db2.gz NIRXDMSNJYXBCD-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP [NH3+]CCC[N@H+](Cc1cocn1)CC1CCCC1 ZINC000352540610 181379677 /nfs/dbraw/zinc/37/96/77/181379677.db2.gz NIRXDMSNJYXBCD-UHFFFAOYSA-N 2 2 237.347 2.016 20 0 BEADLP CCO[C@@H]1CCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000574634374 365107735 /nfs/dbraw/zinc/10/77/35/365107735.db2.gz QKBBDKJYBULLAF-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2ccsc21 ZINC000443447075 193021006 /nfs/dbraw/zinc/02/10/06/193021006.db2.gz VROQCYNZAUKKOV-SNVBAGLBSA-N 2 2 247.367 2.437 20 0 BEADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2ccsc21 ZINC000443447075 193021008 /nfs/dbraw/zinc/02/10/08/193021008.db2.gz VROQCYNZAUKKOV-SNVBAGLBSA-N 2 2 247.367 2.437 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC2(F)F)n1C ZINC000575936254 365422178 /nfs/dbraw/zinc/42/21/78/365422178.db2.gz PHBFRHVHDXLFFA-SNVBAGLBSA-N 2 2 243.301 2.254 20 0 BEADLP CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182620184 366923414 /nfs/dbraw/zinc/92/34/14/366923414.db2.gz VTVARRPFHRAECU-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182620184 366923419 /nfs/dbraw/zinc/92/34/19/366923419.db2.gz VTVARRPFHRAECU-CYBMUJFWSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C1(C2CC2)CC1 ZINC000579707260 366985634 /nfs/dbraw/zinc/98/56/34/366985634.db2.gz AIAAOGZETMMLKK-UHFFFAOYSA-N 2 2 216.328 2.465 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000579862259 367057317 /nfs/dbraw/zinc/05/73/17/367057317.db2.gz QQUZBDMEPJIRGB-NWDGAFQWSA-N 2 2 233.359 2.498 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000380576897 367245992 /nfs/dbraw/zinc/24/59/92/367245992.db2.gz VIWIKQWORONPNJ-NWDGAFQWSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380576897 367245995 /nfs/dbraw/zinc/24/59/95/367245995.db2.gz VIWIKQWORONPNJ-NWDGAFQWSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381515213 367422798 /nfs/dbraw/zinc/42/27/98/367422798.db2.gz PTPCWTRNGQVYMI-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381515213 367422799 /nfs/dbraw/zinc/42/27/99/367422799.db2.gz PTPCWTRNGQVYMI-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CCCC(C)(F)F)n1C ZINC000581618822 367638521 /nfs/dbraw/zinc/63/85/21/367638521.db2.gz PZFSEANYJUSKMU-UHFFFAOYSA-N 2 2 231.290 2.254 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000383959893 367663975 /nfs/dbraw/zinc/66/39/75/367663975.db2.gz OOPVPIPTIJXFPQ-GXTWGEPZSA-N 2 2 235.375 2.448 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000383959893 367663983 /nfs/dbraw/zinc/66/39/83/367663983.db2.gz OOPVPIPTIJXFPQ-GXTWGEPZSA-N 2 2 235.375 2.448 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C[NH2+]1 ZINC000399150965 367691618 /nfs/dbraw/zinc/69/16/18/367691618.db2.gz ZDYHQIABOMTLJV-ZLDLUXBVSA-N 2 2 230.355 2.404 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000384733146 367723420 /nfs/dbraw/zinc/72/34/20/367723420.db2.gz BNSSSCZNHZZZDB-GKUNOOHESA-N 2 2 208.349 2.167 20 0 BEADLP CC/C=C/C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000384733146 367723424 /nfs/dbraw/zinc/72/34/24/367723424.db2.gz BNSSSCZNHZZZDB-GKUNOOHESA-N 2 2 208.349 2.167 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399230108 367906084 /nfs/dbraw/zinc/90/60/84/367906084.db2.gz OXJOXILHQWHIMA-DYEKYZERSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386034193 367900275 /nfs/dbraw/zinc/90/02/75/367900275.db2.gz RKNZQEJVDZCUJZ-JSGCOSHPSA-N 2 2 240.391 2.066 20 0 BEADLP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000386575459 367994374 /nfs/dbraw/zinc/99/43/74/367994374.db2.gz NBDPTRQLSMOOAX-JOYOIKCWSA-N 2 2 239.388 2.072 20 0 BEADLP Cc1ncsc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386628561 368003381 /nfs/dbraw/zinc/00/33/81/368003381.db2.gz ZOBPFDOIBKOOCJ-ONGXEEELSA-N 2 2 239.388 2.072 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cn1 ZINC000386624354 368003456 /nfs/dbraw/zinc/00/34/56/368003456.db2.gz YPWDMWMYXVJXGN-TZMCWYRMSA-N 2 2 233.359 2.010 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399243991 368044745 /nfs/dbraw/zinc/04/47/45/368044745.db2.gz VKHXVZAEENMGDY-TZMCWYRMSA-N 2 2 248.370 2.315 20 0 BEADLP FC(F)C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000387084866 368048821 /nfs/dbraw/zinc/04/88/21/368048821.db2.gz UFUMMQYICZOYEL-JTQLQIEISA-N 2 2 232.318 2.106 20 0 BEADLP FC(F)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000387084866 368048830 /nfs/dbraw/zinc/04/88/30/368048830.db2.gz UFUMMQYICZOYEL-JTQLQIEISA-N 2 2 232.318 2.106 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000582013814 368153841 /nfs/dbraw/zinc/15/38/41/368153841.db2.gz XNNUDAYMAMSFJS-QWHCGFSZSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1F ZINC000566689131 326074806 /nfs/dbraw/zinc/07/48/06/326074806.db2.gz OEKCDIYUTOCLBT-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP c1cn(Cc2ccccc2C[NH2+]CC2CC2)c[nH+]1 ZINC000066971415 368672330 /nfs/dbraw/zinc/67/23/30/368672330.db2.gz HJIFNSQDWUVXDN-UHFFFAOYSA-N 2 2 241.338 2.431 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000084946401 368861063 /nfs/dbraw/zinc/86/10/63/368861063.db2.gz WOUPTQAMVMHLMM-ZANVPECISA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000084946401 368861067 /nfs/dbraw/zinc/86/10/67/368861067.db2.gz WOUPTQAMVMHLMM-ZANVPECISA-N 2 2 240.297 2.276 20 0 BEADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCCC2 ZINC000088750904 368927356 /nfs/dbraw/zinc/92/73/56/368927356.db2.gz GOTUZWOPZDXDLX-CHWSQXEVSA-N 2 2 249.358 2.237 20 0 BEADLP COc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631835144 369045550 /nfs/dbraw/zinc/04/55/50/369045550.db2.gz NJDIAVKFCNTGHF-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP COc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631835144 369045553 /nfs/dbraw/zinc/04/55/53/369045553.db2.gz NJDIAVKFCNTGHF-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000623655028 368991245 /nfs/dbraw/zinc/99/12/45/368991245.db2.gz MKFNZGPQZNITON-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccco2)C1 ZINC000623655028 368991248 /nfs/dbraw/zinc/99/12/48/368991248.db2.gz MKFNZGPQZNITON-GFCCVEGCSA-N 2 2 222.332 2.101 20 0 BEADLP CC(C)[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459359134 203266510 /nfs/dbraw/zinc/26/65/10/203266510.db2.gz DXPCHVKCSMBGOP-CQSZACIVSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459359134 203266514 /nfs/dbraw/zinc/26/65/14/203266514.db2.gz DXPCHVKCSMBGOP-CQSZACIVSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](CC1CC1)CC1CCC1 ZINC000459451982 203282966 /nfs/dbraw/zinc/28/29/66/203282966.db2.gz VZYFBPBDSPLRTC-UHFFFAOYSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](CC1CC1)CC1CCC1 ZINC000459451982 203282970 /nfs/dbraw/zinc/28/29/70/203282970.db2.gz VZYFBPBDSPLRTC-UHFFFAOYSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](CC1CC1)C1CCC1 ZINC000459456255 203284731 /nfs/dbraw/zinc/28/47/31/203284731.db2.gz ZJRZRLPFIAONHE-UHFFFAOYSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](CC1CC1)C1CCC1 ZINC000459456255 203284734 /nfs/dbraw/zinc/28/47/34/203284734.db2.gz ZJRZRLPFIAONHE-UHFFFAOYSA-N 2 2 233.359 2.227 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657684 203330864 /nfs/dbraw/zinc/33/08/64/203330864.db2.gz OJDPGFYBGXPEIJ-OBCWZRDOSA-N 2 2 248.345 2.221 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657684 203330865 /nfs/dbraw/zinc/33/08/65/203330865.db2.gz OJDPGFYBGXPEIJ-OBCWZRDOSA-N 2 2 248.345 2.221 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)C1 ZINC000459652967 203331768 /nfs/dbraw/zinc/33/17/68/203331768.db2.gz ANMXTZRTKZTTSE-REWJHTLYSA-N 2 2 224.392 2.351 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2CC(C)C)C1 ZINC000459652967 203331769 /nfs/dbraw/zinc/33/17/69/203331769.db2.gz ANMXTZRTKZTTSE-REWJHTLYSA-N 2 2 224.392 2.351 20 0 BEADLP CC(C)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000568275346 326339590 /nfs/dbraw/zinc/33/95/90/326339590.db2.gz OHXRXGHPEILXAB-ZDUSSCGKSA-N 2 2 212.381 2.352 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(C)n1 ZINC000621784103 370536445 /nfs/dbraw/zinc/53/64/45/370536445.db2.gz JWSYSMHQDURSNT-GJZGRUSLSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(C)n1 ZINC000621784103 370536447 /nfs/dbraw/zinc/53/64/47/370536447.db2.gz JWSYSMHQDURSNT-GJZGRUSLSA-N 2 2 245.370 2.012 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(F)c1)C2 ZINC000621778277 370527307 /nfs/dbraw/zinc/52/73/07/370527307.db2.gz NLMXXPBDRWOMJW-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000621778277 370527313 /nfs/dbraw/zinc/52/73/13/370527313.db2.gz NLMXXPBDRWOMJW-TZMCWYRMSA-N 2 2 234.318 2.139 20 0 BEADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621784290 370535885 /nfs/dbraw/zinc/53/58/85/370535885.db2.gz MKOUULPPMNFSRQ-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000621784290 370535890 /nfs/dbraw/zinc/53/58/90/370535890.db2.gz MKOUULPPMNFSRQ-ZFWWWQNUSA-N 2 2 246.354 2.008 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623786288 371092522 /nfs/dbraw/zinc/09/25/22/371092522.db2.gz DMHVZNBFEHTYBS-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623786288 371092527 /nfs/dbraw/zinc/09/25/27/371092527.db2.gz DMHVZNBFEHTYBS-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP CC[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC001642790961 1172402634 /nfs/dbraw/zinc/40/26/34/1172402634.db2.gz KEIAVDLSFXYQCF-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC001642790961 1172402639 /nfs/dbraw/zinc/40/26/39/1172402639.db2.gz KEIAVDLSFXYQCF-NEPJUHHUSA-N 2 2 221.348 2.083 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCCc3scnc32)c[nH+]1 ZINC000623851930 371128289 /nfs/dbraw/zinc/12/82/89/371128289.db2.gz LJQDBHHSXIUOBC-JTQLQIEISA-N 2 2 248.355 2.007 20 0 BEADLP CC[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC001642790963 1172404329 /nfs/dbraw/zinc/40/43/29/1172404329.db2.gz KEIAVDLSFXYQCF-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP CC[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC001642790963 1172404334 /nfs/dbraw/zinc/40/43/34/1172404334.db2.gz KEIAVDLSFXYQCF-RYUDHWBXSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)=CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000389933947 371182420 /nfs/dbraw/zinc/18/24/20/371182420.db2.gz MGMIALJQQZUMGI-CYBMUJFWSA-N 2 2 210.365 2.415 20 0 BEADLP CC(C)=CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000389933947 371182424 /nfs/dbraw/zinc/18/24/24/371182424.db2.gz MGMIALJQQZUMGI-CYBMUJFWSA-N 2 2 210.365 2.415 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188767 371378531 /nfs/dbraw/zinc/37/85/31/371378531.db2.gz BRSQIFMEAYGXPF-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188767 371378533 /nfs/dbraw/zinc/37/85/33/371378533.db2.gz BRSQIFMEAYGXPF-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP c1cc2ccc(C[NH2+]CC[NH+]3CCCC3)cc2[nH]1 ZINC000228828089 372083689 /nfs/dbraw/zinc/08/36/89/372083689.db2.gz RZOYBPYJXJVIHY-UHFFFAOYSA-N 2 2 243.354 2.353 20 0 BEADLP Cc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)on1 ZINC000631167662 372215596 /nfs/dbraw/zinc/21/55/96/372215596.db2.gz OZJCRGYDDVOMQP-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)on1 ZINC000631167662 372215603 /nfs/dbraw/zinc/21/56/03/372215603.db2.gz OZJCRGYDDVOMQP-UHFFFAOYSA-N 2 2 239.363 2.051 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC000631757222 372561986 /nfs/dbraw/zinc/56/19/86/372561986.db2.gz WMFKWHGNHIXGEU-NXEZZACHSA-N 2 2 236.281 2.011 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCSc1ccccc1 ZINC000631858847 372658120 /nfs/dbraw/zinc/65/81/20/372658120.db2.gz FBPMMXHZMUYRQX-VXGBXAGGSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCSc1ccccc1 ZINC000631858847 372658124 /nfs/dbraw/zinc/65/81/24/372658124.db2.gz FBPMMXHZMUYRQX-VXGBXAGGSA-N 2 2 236.384 2.200 20 0 BEADLP C[C@@H](c1ccncc1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834324 372619194 /nfs/dbraw/zinc/61/91/94/372619194.db2.gz VBHAMWJUZCCCNC-JSGCOSHPSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1ccncc1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834324 372619198 /nfs/dbraw/zinc/61/91/98/372619198.db2.gz VBHAMWJUZCCCNC-JSGCOSHPSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834281 372619238 /nfs/dbraw/zinc/61/92/38/372619238.db2.gz UBYWLOYZHIJNRQ-QWHCGFSZSA-N 2 2 233.359 2.346 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834281 372619240 /nfs/dbraw/zinc/61/92/40/372619240.db2.gz UBYWLOYZHIJNRQ-QWHCGFSZSA-N 2 2 233.359 2.346 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)nc1 ZINC000631835114 372620706 /nfs/dbraw/zinc/62/07/06/372620706.db2.gz NBFFRKBCCVBTGX-ZDUSSCGKSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)nc1 ZINC000631835114 372620710 /nfs/dbraw/zinc/62/07/10/372620710.db2.gz NBFFRKBCCVBTGX-ZDUSSCGKSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cn1 ZINC000631834587 372621115 /nfs/dbraw/zinc/62/11/15/372621115.db2.gz AWKVVMJKDSCIAA-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cn1 ZINC000631834587 372621122 /nfs/dbraw/zinc/62/11/22/372621122.db2.gz AWKVVMJKDSCIAA-AWEZNQCLSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccncc1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835184 372622477 /nfs/dbraw/zinc/62/24/77/372622477.db2.gz OCCDVKQHEHOFGA-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccncc1C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835184 372622484 /nfs/dbraw/zinc/62/24/84/372622484.db2.gz OCCDVKQHEHOFGA-CQSZACIVSA-N 2 2 233.359 2.093 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631857633 372656055 /nfs/dbraw/zinc/65/60/55/372656055.db2.gz LENOYIWQOXMQMO-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631857633 372656063 /nfs/dbraw/zinc/65/60/63/372656063.db2.gz LENOYIWQOXMQMO-KGLIPLIRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(OCC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631857632 372656391 /nfs/dbraw/zinc/65/63/91/372656391.db2.gz LENOYIWQOXMQMO-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631857632 372656397 /nfs/dbraw/zinc/65/63/97/372656397.db2.gz LENOYIWQOXMQMO-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861381 372661104 /nfs/dbraw/zinc/66/11/04/372661104.db2.gz ACFAGMZOXQCAAK-RISCZKNCSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000631861381 372661110 /nfs/dbraw/zinc/66/11/10/372661110.db2.gz ACFAGMZOXQCAAK-RISCZKNCSA-N 2 2 247.386 2.435 20 0 BEADLP COc1ccccc1CCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631862605 372664782 /nfs/dbraw/zinc/66/47/82/372664782.db2.gz ROMRXHLSCYZXAP-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP COc1ccccc1CCC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000631862605 372664789 /nfs/dbraw/zinc/66/47/89/372664789.db2.gz ROMRXHLSCYZXAP-TZMCWYRMSA-N 2 2 248.370 2.049 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc1F ZINC000631862536 372665337 /nfs/dbraw/zinc/66/53/37/372665337.db2.gz QVVXZFNZBXVKRU-ZYHUDNBSSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc1F ZINC000631862536 372665340 /nfs/dbraw/zinc/66/53/40/372665340.db2.gz QVVXZFNZBXVKRU-ZYHUDNBSSA-N 2 2 222.307 2.056 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000040671638 373588843 /nfs/dbraw/zinc/58/88/43/373588843.db2.gz XGEVPLPXPWGJRK-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040671638 373588847 /nfs/dbraw/zinc/58/88/47/373588847.db2.gz XGEVPLPXPWGJRK-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040672429 373589293 /nfs/dbraw/zinc/58/92/93/373589293.db2.gz LJBDHYKBJVSYSZ-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040672429 373589300 /nfs/dbraw/zinc/58/93/00/373589300.db2.gz LJBDHYKBJVSYSZ-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP CCCC[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000459497239 206131280 /nfs/dbraw/zinc/13/12/80/206131280.db2.gz IWIXHTNUKXASGN-LBPRGKRZSA-N 2 2 223.364 2.473 20 0 BEADLP CCCC[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459497239 206131283 /nfs/dbraw/zinc/13/12/83/206131283.db2.gz IWIXHTNUKXASGN-LBPRGKRZSA-N 2 2 223.364 2.473 20 0 BEADLP CC(C)CCC[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000220701849 134310547 /nfs/dbraw/zinc/31/05/47/134310547.db2.gz QOGVYHLZAACXOG-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000220701849 134310548 /nfs/dbraw/zinc/31/05/48/134310548.db2.gz QOGVYHLZAACXOG-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+](CC)CCNc1[nH+]cnc2[nH]ccc21 ZINC000267089336 169122720 /nfs/dbraw/zinc/12/27/20/169122720.db2.gz UNADSPYOVRVSEC-UHFFFAOYSA-N 2 2 247.346 2.102 20 0 BEADLP CCC[N@@H+](CC)CCNc1[nH+]cnc2[nH]ccc21 ZINC000267089336 169122722 /nfs/dbraw/zinc/12/27/22/169122722.db2.gz UNADSPYOVRVSEC-UHFFFAOYSA-N 2 2 247.346 2.102 20 0 BEADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000357817354 169125505 /nfs/dbraw/zinc/12/55/05/169125505.db2.gz ZCFPTOILYUXUFC-GFCCVEGCSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000357817354 169125506 /nfs/dbraw/zinc/12/55/06/169125506.db2.gz ZCFPTOILYUXUFC-GFCCVEGCSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CC[NH2+]C1 ZINC000071314642 169174968 /nfs/dbraw/zinc/17/49/68/169174968.db2.gz DKHOTIRZXJZHIM-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP CCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[NH2+]C1 ZINC000071314642 169174970 /nfs/dbraw/zinc/17/49/70/169174970.db2.gz DKHOTIRZXJZHIM-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOCC3CC3)C2)[nH]1 ZINC000336732548 183327353 /nfs/dbraw/zinc/32/73/53/183327353.db2.gz SMDSEQURLSJECE-CYBMUJFWSA-N 2 2 249.358 2.016 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000309958482 169200638 /nfs/dbraw/zinc/20/06/38/169200638.db2.gz JWKUBFQYLJHNOZ-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000309958482 169200639 /nfs/dbraw/zinc/20/06/39/169200639.db2.gz JWKUBFQYLJHNOZ-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298398 169200696 /nfs/dbraw/zinc/20/06/96/169200696.db2.gz PWAVCRMRRQIXIJ-ZDUSSCGKSA-N 2 2 247.342 2.203 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000112298398 169200698 /nfs/dbraw/zinc/20/06/98/169200698.db2.gz PWAVCRMRRQIXIJ-ZDUSSCGKSA-N 2 2 247.342 2.203 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CCCSCC2)[nH+]1 ZINC000272880111 183342367 /nfs/dbraw/zinc/34/23/67/183342367.db2.gz XRVINCRCSFFXRC-UHFFFAOYSA-N 2 2 247.367 2.273 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CCCSCC2)[nH+]1 ZINC000272880111 183342369 /nfs/dbraw/zinc/34/23/69/183342369.db2.gz XRVINCRCSFFXRC-UHFFFAOYSA-N 2 2 247.367 2.273 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]1 ZINC000269676540 183343214 /nfs/dbraw/zinc/34/32/14/183343214.db2.gz YWVIKUFZUBUSEW-ZDUSSCGKSA-N 2 2 242.326 2.184 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccncc3)C2)[nH]1 ZINC000269676540 183343215 /nfs/dbraw/zinc/34/32/15/183343215.db2.gz YWVIKUFZUBUSEW-ZDUSSCGKSA-N 2 2 242.326 2.184 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)cc1C ZINC000161352313 169258992 /nfs/dbraw/zinc/25/89/92/169258992.db2.gz PZGOMJDVKOLOMU-UHFFFAOYSA-N 2 2 220.360 2.393 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000044651750 169260115 /nfs/dbraw/zinc/26/01/15/169260115.db2.gz MFARRIPKYWETRF-VIFPVBQESA-N 2 2 241.404 2.410 20 0 BEADLP c1cc2[nH+]ccc(NCC[NH+]3CCCC3)c2cn1 ZINC000271638533 183377163 /nfs/dbraw/zinc/37/71/63/183377163.db2.gz PDYWEVKPKCWEGE-UHFFFAOYSA-N 2 2 242.326 2.138 20 0 BEADLP c1cc(O[C@H]2CC[N@@H+](CCC3CC3)C2)cc[nH+]1 ZINC000336705618 183360342 /nfs/dbraw/zinc/36/03/42/183360342.db2.gz COUFWHLCQRNBHK-AWEZNQCLSA-N 2 2 232.327 2.335 20 0 BEADLP c1cc(O[C@H]2CC[N@H+](CCC3CC3)C2)cc[nH+]1 ZINC000336705618 183360343 /nfs/dbraw/zinc/36/03/43/183360343.db2.gz COUFWHLCQRNBHK-AWEZNQCLSA-N 2 2 232.327 2.335 20 0 BEADLP c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)nc1 ZINC000066973213 183397288 /nfs/dbraw/zinc/39/72/88/183397288.db2.gz YXBUAWCVGBMXFD-UHFFFAOYSA-N 2 2 245.370 2.046 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284350220 169281716 /nfs/dbraw/zinc/28/17/16/169281716.db2.gz RZZFEXNGNLBALQ-ZIAGYGMSSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284350220 169281718 /nfs/dbraw/zinc/28/17/18/169281718.db2.gz RZZFEXNGNLBALQ-ZIAGYGMSSA-N 2 2 218.344 2.431 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000131394844 169325050 /nfs/dbraw/zinc/32/50/50/169325050.db2.gz YZXIDPRNZKJWHL-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000131394844 169325052 /nfs/dbraw/zinc/32/50/52/169325052.db2.gz YZXIDPRNZKJWHL-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[N@H+](C)C(C)C ZINC000125418652 169379443 /nfs/dbraw/zinc/37/94/43/169379443.db2.gz DULBOAGWAKTPPK-GFCCVEGCSA-N 2 2 200.370 2.495 20 0 BEADLP CCC[C@@H](CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000125418652 169379445 /nfs/dbraw/zinc/37/94/45/169379445.db2.gz DULBOAGWAKTPPK-GFCCVEGCSA-N 2 2 200.370 2.495 20 0 BEADLP CC(C)C[C@@H](C[NH2+]C[C@H]1CCSC1)[NH+](C)C ZINC000224307742 134345978 /nfs/dbraw/zinc/34/59/78/134345978.db2.gz WSKJQQXTTRIFIC-OLZOCXBDSA-N 2 2 244.448 2.305 20 0 BEADLP Cc1ncsc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227374862 134379222 /nfs/dbraw/zinc/37/92/22/134379222.db2.gz INFGCEQHCQIXNO-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309266101 383828023 /nfs/dbraw/zinc/82/80/23/383828023.db2.gz FFYZZHHIXDODAJ-NRUUGDAUSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309266101 383828029 /nfs/dbraw/zinc/82/80/29/383828029.db2.gz FFYZZHHIXDODAJ-NRUUGDAUSA-N 2 2 222.307 2.308 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cscn1 ZINC000643543548 383984337 /nfs/dbraw/zinc/98/43/37/383984337.db2.gz ZLGWKBUZHJWGQY-KOLCDFICSA-N 2 2 239.388 2.311 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000070911501 383959856 /nfs/dbraw/zinc/95/98/56/383959856.db2.gz CBUKKPVMTFATTE-BDAKNGLRSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070911501 383959858 /nfs/dbraw/zinc/95/98/58/383959858.db2.gz CBUKKPVMTFATTE-BDAKNGLRSA-N 2 2 224.270 2.141 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CCSC1 ZINC000278485340 384003393 /nfs/dbraw/zinc/00/33/93/384003393.db2.gz LJFYHSIOWHSNLM-LBPRGKRZSA-N 2 2 236.384 2.275 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCSC1 ZINC000290302815 383965983 /nfs/dbraw/zinc/96/59/83/383965983.db2.gz ICDSEWVRXCLMIS-ZDUSSCGKSA-N 2 2 236.384 2.418 20 0 BEADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000037267111 383968451 /nfs/dbraw/zinc/96/84/51/383968451.db2.gz SFNRPFRKROOXKS-NSHDSACASA-N 2 2 234.343 2.137 20 0 BEADLP CCC1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000560266306 384025192 /nfs/dbraw/zinc/02/51/92/384025192.db2.gz NULQSCJHYFMXEF-UHFFFAOYSA-N 2 2 233.359 2.498 20 0 BEADLP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000643545356 384012056 /nfs/dbraw/zinc/01/20/56/384012056.db2.gz DXOGIEWSVCGHNZ-KGLIPLIRSA-N 2 2 245.370 2.191 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cnccn1 ZINC000070477565 384110651 /nfs/dbraw/zinc/11/06/51/384110651.db2.gz LFHLYWUUIHZZLK-CYBMUJFWSA-N 2 2 248.374 2.003 20 0 BEADLP C[C@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313249414 384149978 /nfs/dbraw/zinc/14/99/78/384149978.db2.gz AIMDAPPZZALJBQ-RYUDHWBXSA-N 2 2 221.348 2.131 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1ccc(F)c2cccnc12 ZINC000302370563 384150090 /nfs/dbraw/zinc/15/00/90/384150090.db2.gz HLPRDDYPLHYMKE-UHFFFAOYSA-N 2 2 247.317 2.155 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1ccc(F)c2cccnc12 ZINC000302370563 384150099 /nfs/dbraw/zinc/15/00/99/384150099.db2.gz HLPRDDYPLHYMKE-UHFFFAOYSA-N 2 2 247.317 2.155 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000132384777 384186671 /nfs/dbraw/zinc/18/66/71/384186671.db2.gz QMTNPYHILPDMPL-QWRGUYRKSA-N 2 2 207.321 2.050 20 0 BEADLP CCOC[C@H]1CCCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000313296139 384237855 /nfs/dbraw/zinc/23/78/55/384237855.db2.gz QASQFQGVAHMGLG-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP CCOC[C@H]1CCCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000313296139 384237859 /nfs/dbraw/zinc/23/78/59/384237859.db2.gz QASQFQGVAHMGLG-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP CCSCC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000132023039 384211385 /nfs/dbraw/zinc/21/13/85/384211385.db2.gz UNIWSXNXARHYLE-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP CCSCC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000132023039 384211392 /nfs/dbraw/zinc/21/13/92/384211392.db2.gz UNIWSXNXARHYLE-GFCCVEGCSA-N 2 2 241.404 2.347 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000313279377 384228468 /nfs/dbraw/zinc/22/84/68/384228468.db2.gz CRHYRMAHBIYJAO-DYEKYZERSA-N 2 2 235.375 2.377 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000069626970 384247556 /nfs/dbraw/zinc/24/75/56/384247556.db2.gz GSEGQJJEOURWBQ-KOLCDFICSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000069626970 384247560 /nfs/dbraw/zinc/24/75/60/384247560.db2.gz GSEGQJJEOURWBQ-KOLCDFICSA-N 2 2 239.388 2.011 20 0 BEADLP c1coc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093596909 384250922 /nfs/dbraw/zinc/25/09/22/384250922.db2.gz OIGXDBGFQVNQJN-CYBMUJFWSA-N 2 2 234.343 2.197 20 0 BEADLP c1coc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093596909 384250929 /nfs/dbraw/zinc/25/09/29/384250929.db2.gz OIGXDBGFQVNQJN-CYBMUJFWSA-N 2 2 234.343 2.197 20 0 BEADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCC1 ZINC000313313844 384255392 /nfs/dbraw/zinc/25/53/92/384255392.db2.gz ZOEYAPKJCUOIAR-CYBMUJFWSA-N 2 2 221.348 2.131 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)o2)C1 ZINC000093770148 384267289 /nfs/dbraw/zinc/26/72/89/384267289.db2.gz JLYSTUDFWRFKSW-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)o2)C1 ZINC000093770148 384267296 /nfs/dbraw/zinc/26/72/96/384267296.db2.gz JLYSTUDFWRFKSW-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000093770148 384267304 /nfs/dbraw/zinc/26/73/04/384267304.db2.gz JLYSTUDFWRFKSW-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000093770148 384267309 /nfs/dbraw/zinc/26/73/09/384267309.db2.gz JLYSTUDFWRFKSW-CYBMUJFWSA-N 2 2 236.359 2.362 20 0 BEADLP Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(C)[nH+]1 ZINC000094666075 384310675 /nfs/dbraw/zinc/31/06/75/384310675.db2.gz KLRIXTBZCAXZKX-VXGBXAGGSA-N 2 2 247.342 2.154 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CC1 ZINC000083064907 384281425 /nfs/dbraw/zinc/28/14/25/384281425.db2.gz AGCISERRSLJHMD-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CC1 ZINC000083064907 384281430 /nfs/dbraw/zinc/28/14/30/384281430.db2.gz AGCISERRSLJHMD-QWHCGFSZSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCN(c2cccc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000134160871 384336850 /nfs/dbraw/zinc/33/68/50/384336850.db2.gz FNCKMIASIUHESB-OLZOCXBDSA-N 2 2 242.326 2.366 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000120363135 384348275 /nfs/dbraw/zinc/34/82/75/384348275.db2.gz TUUXHFCMFIUIIQ-KGLIPLIRSA-N 2 2 233.359 2.465 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000076001709 384351046 /nfs/dbraw/zinc/35/10/46/384351046.db2.gz YMVYTUQONIMRAV-AWEZNQCLSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000076001709 384351053 /nfs/dbraw/zinc/35/10/53/384351053.db2.gz YMVYTUQONIMRAV-AWEZNQCLSA-N 2 2 247.386 2.245 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000095068358 384330912 /nfs/dbraw/zinc/33/09/12/384330912.db2.gz BNRABSUPQIDUSU-VHSXEESVSA-N 2 2 210.346 2.151 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000084487070 384400286 /nfs/dbraw/zinc/40/02/86/384400286.db2.gz QIHQNMBPPJKVLS-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000335644060 384415230 /nfs/dbraw/zinc/41/52/30/384415230.db2.gz OAMMOSLZWACWQO-RNCFNFMXSA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000335644672 384415681 /nfs/dbraw/zinc/41/56/81/384415681.db2.gz XBJXOTQPNIIXQC-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000135150881 384419153 /nfs/dbraw/zinc/41/91/53/384419153.db2.gz MYVGZZOLTHUVBG-CHWSQXEVSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135150881 384419158 /nfs/dbraw/zinc/41/91/58/384419158.db2.gz MYVGZZOLTHUVBG-CHWSQXEVSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000035776104 384421966 /nfs/dbraw/zinc/42/19/66/384421966.db2.gz RJSGQTHTVWZCDQ-SNVBAGLBSA-N 2 2 201.273 2.261 20 0 BEADLP [NH3+]C[C@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000084213449 384377347 /nfs/dbraw/zinc/37/73/47/384377347.db2.gz SWILFNYZLYLOQU-GHMZBOCLSA-N 2 2 205.305 2.011 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335608600 384383411 /nfs/dbraw/zinc/38/34/11/384383411.db2.gz VSTFICAVHWYVOY-SECBINFHSA-N 2 2 219.332 2.045 20 0 BEADLP CC1(C)CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335608600 384383417 /nfs/dbraw/zinc/38/34/17/384383417.db2.gz VSTFICAVHWYVOY-SECBINFHSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC000335607850 384386207 /nfs/dbraw/zinc/38/62/07/384386207.db2.gz TXWWJRCUIPSLRA-CABZTGNLSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000335607850 384386211 /nfs/dbraw/zinc/38/62/11/384386211.db2.gz TXWWJRCUIPSLRA-CABZTGNLSA-N 2 2 224.373 2.096 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cscn1 ZINC000161155387 384469387 /nfs/dbraw/zinc/46/93/87/384469387.db2.gz GDYUOKLBEKLRQL-UWVGGRQHSA-N 2 2 236.344 2.079 20 0 BEADLP CC(C)C[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157787 384486010 /nfs/dbraw/zinc/48/60/10/384486010.db2.gz NDPSPFHHUJWEAY-RYUDHWBXSA-N 2 2 209.337 2.296 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000083391071 384490351 /nfs/dbraw/zinc/49/03/51/384490351.db2.gz GAYSFLBUQHXWRM-QWHCGFSZSA-N 2 2 221.348 2.442 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000556833865 384516147 /nfs/dbraw/zinc/51/61/47/384516147.db2.gz NWBACSFLSNBBEM-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000556833865 384516151 /nfs/dbraw/zinc/51/61/51/384516151.db2.gz NWBACSFLSNBBEM-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C1CC1)[NH+](C)C ZINC000449554141 384526102 /nfs/dbraw/zinc/52/61/02/384526102.db2.gz ASONWXPUFZIHRQ-YUTCNCBUSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)o1 ZINC000019958642 384562779 /nfs/dbraw/zinc/56/27/79/384562779.db2.gz MNZAMVDGZXXJHO-LLVKDONJSA-N 2 2 210.321 2.190 20 0 BEADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC[NH+](C)C)o1 ZINC000019958327 384563188 /nfs/dbraw/zinc/56/31/88/384563188.db2.gz KRLRTVGVUXAGMY-DGCLKSJQSA-N 2 2 236.359 2.444 20 0 BEADLP CCC[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000305966322 384559146 /nfs/dbraw/zinc/55/91/46/384559146.db2.gz JGSTUJHMYHSDQH-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP CCC[N@@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000305966322 384559152 /nfs/dbraw/zinc/55/91/52/384559152.db2.gz JGSTUJHMYHSDQH-VXGBXAGGSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH+](C)Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715408 384560560 /nfs/dbraw/zinc/56/05/60/384560560.db2.gz QWKVLGRKJRLMSR-UHFFFAOYSA-N 2 2 230.315 2.083 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1c(F)cccc1F ZINC000019958160 384562482 /nfs/dbraw/zinc/56/24/82/384562482.db2.gz PQQMBHPLXYDUOO-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc(C)c2C)C1 ZINC000150044007 384562696 /nfs/dbraw/zinc/56/26/96/384562696.db2.gz XSMOYUVWKVUOCH-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000150044007 384562700 /nfs/dbraw/zinc/56/27/00/384562700.db2.gz XSMOYUVWKVUOCH-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020091781 384573643 /nfs/dbraw/zinc/57/36/43/384573643.db2.gz KVWMEALFBMXFSI-UHFFFAOYSA-N 2 2 232.327 2.474 20 0 BEADLP CCc1cccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066098 384578338 /nfs/dbraw/zinc/57/83/38/384578338.db2.gz KEOAVPXVJWNTDZ-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1cccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066098 384578345 /nfs/dbraw/zinc/57/83/45/384578345.db2.gz KEOAVPXVJWNTDZ-HOTGVXAUSA-N 2 2 244.382 2.433 20 0 BEADLP C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600310 384590710 /nfs/dbraw/zinc/59/07/10/384590710.db2.gz JHWVPVWHJYBGIB-RYUDHWBXSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600310 384590714 /nfs/dbraw/zinc/59/07/14/384590714.db2.gz JHWVPVWHJYBGIB-RYUDHWBXSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067885 384583254 /nfs/dbraw/zinc/58/32/54/384583254.db2.gz ABOJNJTXRPWHMT-SNPRPXQTSA-N 2 2 230.355 2.431 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067885 384583262 /nfs/dbraw/zinc/58/32/62/384583262.db2.gz ABOJNJTXRPWHMT-SNPRPXQTSA-N 2 2 230.355 2.431 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235820562 384611616 /nfs/dbraw/zinc/61/16/16/384611616.db2.gz XIYHMXRGZMLTQG-LBPRGKRZSA-N 2 2 247.342 2.107 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000309791601 384612380 /nfs/dbraw/zinc/61/23/80/384612380.db2.gz PHMYDHHNZCMJDM-TZMCWYRMSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000309791601 384612384 /nfs/dbraw/zinc/61/23/84/384612384.db2.gz PHMYDHHNZCMJDM-TZMCWYRMSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235820852 384613059 /nfs/dbraw/zinc/61/30/59/384613059.db2.gz XIYHMXRGZMLTQG-GFCCVEGCSA-N 2 2 247.342 2.107 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000082293973 384663533 /nfs/dbraw/zinc/66/35/33/384663533.db2.gz HCUWQUIHNHBFMP-GXTWGEPZSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000082293973 384663538 /nfs/dbraw/zinc/66/35/38/384663538.db2.gz HCUWQUIHNHBFMP-GXTWGEPZSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000647532812 384638476 /nfs/dbraw/zinc/63/84/76/384638476.db2.gz DWDDWQCHYNKQNB-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c(C)c1 ZINC000647532812 384638479 /nfs/dbraw/zinc/63/84/79/384638479.db2.gz DWDDWQCHYNKQNB-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP CC[C@H](c1ccncc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000162535089 384638542 /nfs/dbraw/zinc/63/85/42/384638542.db2.gz RLMVARGHCRPOIS-CQSZACIVSA-N 2 2 244.342 2.361 20 0 BEADLP CC[C@H](c1ccncc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000162535089 384638548 /nfs/dbraw/zinc/63/85/48/384638548.db2.gz RLMVARGHCRPOIS-CQSZACIVSA-N 2 2 244.342 2.361 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000403356120 384641417 /nfs/dbraw/zinc/64/14/17/384641417.db2.gz XCEWEPGDTTZYHQ-HTOAHKCRSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C[N@H+]1C1CC1 ZINC000403356120 384641418 /nfs/dbraw/zinc/64/14/18/384641418.db2.gz XCEWEPGDTTZYHQ-HTOAHKCRSA-N 2 2 234.387 2.390 20 0 BEADLP CC[NH2+]CC[N@H+](CC)Cc1ccccc1 ZINC000044380619 384654889 /nfs/dbraw/zinc/65/48/89/384654889.db2.gz FBOPJNHNDYQXPV-UHFFFAOYSA-N 2 2 206.333 2.118 20 0 BEADLP CC[NH2+]CC[N@@H+](CC)Cc1ccccc1 ZINC000044380619 384654898 /nfs/dbraw/zinc/65/48/98/384654898.db2.gz FBOPJNHNDYQXPV-UHFFFAOYSA-N 2 2 206.333 2.118 20 0 BEADLP c1cn(CCCC[NH2+]C2CCSCC2)c[nH+]1 ZINC000044353274 384655433 /nfs/dbraw/zinc/65/54/33/384655433.db2.gz ROQUDQGWBWHITO-UHFFFAOYSA-N 2 2 239.388 2.149 20 0 BEADLP c1cn(CCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000403414312 384655562 /nfs/dbraw/zinc/65/55/62/384655562.db2.gz VBYYAVZLXHCBHJ-HZSPNIEDSA-N 2 2 233.359 2.299 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000104345288 384680074 /nfs/dbraw/zinc/68/00/74/384680074.db2.gz SSOZSLRQHZKBRT-ZDUSSCGKSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000104345288 384680086 /nfs/dbraw/zinc/68/00/86/384680086.db2.gz SSOZSLRQHZKBRT-ZDUSSCGKSA-N 2 2 248.345 2.460 20 0 BEADLP Cc1csc(C[NH2+]CC(C)(C)C[NH+](C)C)n1 ZINC000082725357 384707624 /nfs/dbraw/zinc/70/76/24/384707624.db2.gz CIJWCAMWYGLKRH-UHFFFAOYSA-N 2 2 241.404 2.129 20 0 BEADLP CC[C@@H](C[NH2+][C@@H](COC)C(C)C)[NH+]1CCCC1 ZINC000151703830 384718137 /nfs/dbraw/zinc/71/81/37/384718137.db2.gz MOIBRLXZROEETP-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP CCCC[N@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053345016 384745117 /nfs/dbraw/zinc/74/51/17/384745117.db2.gz WXLAGDVTWFWDGP-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053345016 384745121 /nfs/dbraw/zinc/74/51/21/384745121.db2.gz WXLAGDVTWFWDGP-UHFFFAOYSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH2+]CC(C)(C)C)Cn1cc[nH+]c1 ZINC000163814970 384759120 /nfs/dbraw/zinc/75/91/20/384759120.db2.gz QQNCTENQMJDQCW-NSHDSACASA-N 2 2 209.337 2.155 20 0 BEADLP Cc1ccncc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553657 384768043 /nfs/dbraw/zinc/76/80/43/384768043.db2.gz GKSZVKBAYOFCSD-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)CC)C(C)(C)C ZINC000308572753 384823172 /nfs/dbraw/zinc/82/31/72/384823172.db2.gz COFPZAZGIPFXSY-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)CC)C(C)(C)C ZINC000308572753 384823177 /nfs/dbraw/zinc/82/31/77/384823177.db2.gz COFPZAZGIPFXSY-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP C[C@@H]([NH2+]Cc1ccsc1Cl)[C@H](C)[NH3+] ZINC000312879676 384826805 /nfs/dbraw/zinc/82/68/05/384826805.db2.gz PBXZGOVOWJWSHU-NKWVEPMBSA-N 2 2 218.753 2.227 20 0 BEADLP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000423250928 384782860 /nfs/dbraw/zinc/78/28/60/384782860.db2.gz RFSCMSMDLMMBOD-KFWWJZLASA-N 2 2 230.355 2.465 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CCCCC1)[NH+](C)C ZINC000038087658 384790700 /nfs/dbraw/zinc/79/07/00/384790700.db2.gz YKLBZTJCVJQZRN-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423312299 384796752 /nfs/dbraw/zinc/79/67/52/384796752.db2.gz RNAHXXCQBPVKHC-CQSZACIVSA-N 2 2 236.334 2.402 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000310036697 384802193 /nfs/dbraw/zinc/80/21/93/384802193.db2.gz UNGQLOKXKFWFQS-RYSNWHEDSA-N 2 2 224.392 2.493 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000310036697 384802200 /nfs/dbraw/zinc/80/22/00/384802200.db2.gz UNGQLOKXKFWFQS-RYSNWHEDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H](NC1CC([NH+]2CCCCC2)C1)c1[nH]cc[nH+]1 ZINC000367638786 384802909 /nfs/dbraw/zinc/80/29/09/384802909.db2.gz QMKQJSHYLNWPHZ-HIFPTAJRSA-N 2 2 248.374 2.077 20 0 BEADLP Cc1nc(C[NH2+]CCC[N@@H+](C)C(C)C)cs1 ZINC000163630361 384836780 /nfs/dbraw/zinc/83/67/80/384836780.db2.gz STLWIJMTFHSPPK-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP Cc1nc(C[NH2+]CCC[N@H+](C)C(C)C)cs1 ZINC000163630361 384836785 /nfs/dbraw/zinc/83/67/85/384836785.db2.gz STLWIJMTFHSPPK-UHFFFAOYSA-N 2 2 241.404 2.271 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCOC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186327286 384836875 /nfs/dbraw/zinc/83/68/75/384836875.db2.gz ZPAJOVRMDCUSJS-NWANDNLSSA-N 2 2 248.370 2.056 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403584881 384840602 /nfs/dbraw/zinc/84/06/02/384840602.db2.gz BSCPGFSXTAGKMA-YIYPIFLZSA-N 2 2 233.359 2.297 20 0 BEADLP CC[N@H+](CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403668389 384853139 /nfs/dbraw/zinc/85/31/39/384853139.db2.gz NDVVJIDOCIPUBO-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+](CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000403668389 384853146 /nfs/dbraw/zinc/85/31/46/384853146.db2.gz NDVVJIDOCIPUBO-HZSPNIEDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336756743 384858819 /nfs/dbraw/zinc/85/88/19/384858819.db2.gz JSRKQGWMVSGDIT-MROQNXINSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336756743 384858827 /nfs/dbraw/zinc/85/88/27/384858827.db2.gz JSRKQGWMVSGDIT-MROQNXINSA-N 2 2 210.365 2.247 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000308606197 384863477 /nfs/dbraw/zinc/86/34/77/384863477.db2.gz CBNZINCQBBKVAK-GFCCVEGCSA-N 2 2 210.365 2.273 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)C[N@@H+]1C1CC1 ZINC000336678918 384954944 /nfs/dbraw/zinc/95/49/44/384954944.db2.gz WSTJXKVOLFTVII-NTZNESFSSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)C[N@H+]1C1CC1 ZINC000336678918 384954949 /nfs/dbraw/zinc/95/49/49/384954949.db2.gz WSTJXKVOLFTVII-NTZNESFSSA-N 2 2 222.376 2.390 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086845108 384894285 /nfs/dbraw/zinc/89/42/85/384894285.db2.gz CNNWDHRCFMSENW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086845108 384894292 /nfs/dbraw/zinc/89/42/92/384894292.db2.gz CNNWDHRCFMSENW-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000127540517 384911957 /nfs/dbraw/zinc/91/19/57/384911957.db2.gz PLBIKWYZDYCMAQ-LBPRGKRZSA-N 2 2 247.317 2.416 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccoc1 ZINC000087289715 384933178 /nfs/dbraw/zinc/93/31/78/384933178.db2.gz BKRXWBMWDVAFFA-SNVBAGLBSA-N 2 2 208.305 2.024 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000127750102 384942443 /nfs/dbraw/zinc/94/24/43/384942443.db2.gz IDBCMFNOHYPXPG-MELADBBJSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000127750102 384942452 /nfs/dbraw/zinc/94/24/52/384942452.db2.gz IDBCMFNOHYPXPG-MELADBBJSA-N 2 2 245.370 2.359 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000107038656 384945547 /nfs/dbraw/zinc/94/55/47/384945547.db2.gz POJQNAZBBUZJFE-UHFFFAOYSA-N 2 2 247.342 2.108 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000128078736 384991047 /nfs/dbraw/zinc/99/10/47/384991047.db2.gz YYPIHERSMSZZBQ-TZMCWYRMSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000128078736 384991057 /nfs/dbraw/zinc/99/10/57/384991057.db2.gz YYPIHERSMSZZBQ-TZMCWYRMSA-N 2 2 231.343 2.429 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000300859922 385001727 /nfs/dbraw/zinc/00/17/27/385001727.db2.gz GISGZABLQVDZCJ-VXGBXAGGSA-N 2 2 200.370 2.208 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cncs1 ZINC000156881617 385004262 /nfs/dbraw/zinc/00/42/62/385004262.db2.gz NDEKJEZVIHGNTN-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cncs1 ZINC000156881617 385004272 /nfs/dbraw/zinc/00/42/72/385004272.db2.gz NDEKJEZVIHGNTN-VWYCJHECSA-N 2 2 239.388 2.276 20 0 BEADLP C[C@H](F)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000339491817 385007673 /nfs/dbraw/zinc/00/76/73/385007673.db2.gz OBCVZGGVUXDDAW-JTQLQIEISA-N 2 2 221.279 2.172 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309998804 385011915 /nfs/dbraw/zinc/01/19/15/385011915.db2.gz DDTAIMBKWHYDIY-WDEREUQCSA-N 2 2 221.348 2.435 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309998804 385011918 /nfs/dbraw/zinc/01/19/18/385011918.db2.gz DDTAIMBKWHYDIY-WDEREUQCSA-N 2 2 221.348 2.435 20 0 BEADLP Cc1ccc(NC2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000087151665 385077385 /nfs/dbraw/zinc/07/73/85/385077385.db2.gz GJZDTMAESQBNBK-UHFFFAOYSA-N 2 2 219.332 2.205 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559335051 385083315 /nfs/dbraw/zinc/08/33/15/385083315.db2.gz UXPMOGJWJUJKEL-TUUVXOQKSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000559335051 385083320 /nfs/dbraw/zinc/08/33/20/385083320.db2.gz UXPMOGJWJUJKEL-TUUVXOQKSA-N 2 2 244.382 2.330 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000128515234 385043667 /nfs/dbraw/zinc/04/36/67/385043667.db2.gz VVNWKACOCJTFLZ-OBJOEFQTSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000128515234 385043679 /nfs/dbraw/zinc/04/36/79/385043679.db2.gz VVNWKACOCJTFLZ-OBJOEFQTSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000128515692 385044479 /nfs/dbraw/zinc/04/44/79/385044479.db2.gz VVNWKACOCJTFLZ-SGMGOOAPSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000128515692 385044483 /nfs/dbraw/zinc/04/44/83/385044483.db2.gz VVNWKACOCJTFLZ-SGMGOOAPSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccnc1 ZINC000128514971 385045518 /nfs/dbraw/zinc/04/55/18/385045518.db2.gz VVNWKACOCJTFLZ-DYEKYZERSA-N 2 2 245.370 2.357 20 0 BEADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccnc1 ZINC000128514971 385045527 /nfs/dbraw/zinc/04/55/27/385045527.db2.gz VVNWKACOCJTFLZ-DYEKYZERSA-N 2 2 245.370 2.357 20 0 BEADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000165422608 385123239 /nfs/dbraw/zinc/12/32/39/385123239.db2.gz VXOJNCYAYSDWLR-NEPJUHHUSA-N 2 2 222.332 2.242 20 0 BEADLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])nc1 ZINC000227353366 385129475 /nfs/dbraw/zinc/12/94/75/385129475.db2.gz DHAJBYAICGADGF-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])nc1 ZINC000227353366 385129479 /nfs/dbraw/zinc/12/94/79/385129479.db2.gz DHAJBYAICGADGF-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000449735991 385092413 /nfs/dbraw/zinc/09/24/13/385092413.db2.gz UCHUARPPQPFRLU-SWLSCSKDSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000449735991 385092419 /nfs/dbraw/zinc/09/24/19/385092419.db2.gz UCHUARPPQPFRLU-SWLSCSKDSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000449735990 385093156 /nfs/dbraw/zinc/09/31/56/385093156.db2.gz UCHUARPPQPFRLU-IUODEOHRSA-N 2 2 247.386 2.128 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cnc(C)cc2C)C1 ZINC000449735990 385093164 /nfs/dbraw/zinc/09/31/64/385093164.db2.gz UCHUARPPQPFRLU-IUODEOHRSA-N 2 2 247.386 2.128 20 0 BEADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000189914597 385194611 /nfs/dbraw/zinc/19/46/11/385194611.db2.gz DRRNHVXNWKPDEF-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000189914597 385194617 /nfs/dbraw/zinc/19/46/17/385194617.db2.gz DRRNHVXNWKPDEF-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189914597 385194621 /nfs/dbraw/zinc/19/46/21/385194621.db2.gz DRRNHVXNWKPDEF-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000189914597 385194623 /nfs/dbraw/zinc/19/46/23/385194623.db2.gz DRRNHVXNWKPDEF-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@@H+]1C1CC1 ZINC000129883139 385199429 /nfs/dbraw/zinc/19/94/29/385199429.db2.gz HDTXYFWIKHMBQZ-PWSUYJOCSA-N 2 2 236.384 2.463 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@H+]1C1CC1 ZINC000129883139 385199434 /nfs/dbraw/zinc/19/94/34/385199434.db2.gz HDTXYFWIKHMBQZ-PWSUYJOCSA-N 2 2 236.384 2.463 20 0 BEADLP Cc1csc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227675947 385199476 /nfs/dbraw/zinc/19/94/76/385199476.db2.gz FDIOSRMYTSBQJX-QWRGUYRKSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1csc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227675947 385199480 /nfs/dbraw/zinc/19/94/80/385199480.db2.gz FDIOSRMYTSBQJX-QWRGUYRKSA-N 2 2 239.388 2.011 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+]CC[NH+]1CCCC1 ZINC000301002435 385229557 /nfs/dbraw/zinc/22/95/57/385229557.db2.gz XHHCMVCOIPVOKG-CYBMUJFWSA-N 2 2 212.381 2.354 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000019843370 385257260 /nfs/dbraw/zinc/25/72/60/385257260.db2.gz LEGVRSGXLXKXLI-CYBMUJFWSA-N 2 2 222.307 2.139 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000019843370 385257264 /nfs/dbraw/zinc/25/72/64/385257264.db2.gz LEGVRSGXLXKXLI-CYBMUJFWSA-N 2 2 222.307 2.139 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C/c1ccccc1 ZINC000130446940 385251125 /nfs/dbraw/zinc/25/11/25/385251125.db2.gz HDHCQIBYRPBWSY-RSPDNQDQSA-N 2 2 218.344 2.240 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000346629664 385253999 /nfs/dbraw/zinc/25/39/99/385253999.db2.gz FSRYZETWNVSVFG-OCCSQVGLSA-N 2 2 234.343 2.090 20 0 BEADLP C[C@H](CCC[NH3+])Nc1ccc(N2CCCC2)[nH+]c1 ZINC000310964010 385255593 /nfs/dbraw/zinc/25/55/93/385255593.db2.gz AXDMEQZBPVGEPM-GFCCVEGCSA-N 2 2 248.374 2.221 20 0 BEADLP CCC1CC([NH2+]CC[N@H+](CC)C2CC2)C1 ZINC000308955629 385308115 /nfs/dbraw/zinc/30/81/15/385308115.db2.gz QLYVKJCFCFRUAH-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CC([NH2+]CC[N@@H+](CC)C2CC2)C1 ZINC000308955629 385308119 /nfs/dbraw/zinc/30/81/19/385308119.db2.gz QLYVKJCFCFRUAH-UHFFFAOYSA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CC[N@@H+]2CCCc3ccccc3C2)c[nH+]1 ZINC000131243272 385321349 /nfs/dbraw/zinc/32/13/49/385321349.db2.gz UWVQUVJQUZHLEW-UHFFFAOYSA-N 2 2 241.338 2.332 20 0 BEADLP c1cn(CC[N@H+]2CCCc3ccccc3C2)c[nH+]1 ZINC000131243272 385321355 /nfs/dbraw/zinc/32/13/55/385321355.db2.gz UWVQUVJQUZHLEW-UHFFFAOYSA-N 2 2 241.338 2.332 20 0 BEADLP CC[C@H]1CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000346679774 385261027 /nfs/dbraw/zinc/26/10/27/385261027.db2.gz ATFAJTWAGNAPFJ-KBPBESRZSA-N 2 2 224.392 2.498 20 0 BEADLP CC[C@H]1CCC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000346679774 385261029 /nfs/dbraw/zinc/26/10/29/385261029.db2.gz ATFAJTWAGNAPFJ-KBPBESRZSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@H+](C)C1CC1 ZINC000178783023 385329015 /nfs/dbraw/zinc/32/90/15/385329015.db2.gz CKQLJXCTICSKJW-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+](C)C1CC1 ZINC000178783023 385329018 /nfs/dbraw/zinc/32/90/18/385329018.db2.gz CKQLJXCTICSKJW-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)o1 ZINC000131389810 385329294 /nfs/dbraw/zinc/32/92/94/385329294.db2.gz GEQRMRKERDZDNA-LBPRGKRZSA-N 2 2 247.342 2.464 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[N@H+](C)C1CC1 ZINC000178783057 385330184 /nfs/dbraw/zinc/33/01/84/385330184.db2.gz CKQLJXCTICSKJW-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[N@@H+](C)C1CC1 ZINC000178783057 385330193 /nfs/dbraw/zinc/33/01/93/385330193.db2.gz CKQLJXCTICSKJW-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154564857 385338001 /nfs/dbraw/zinc/33/80/01/385338001.db2.gz IYCDRNSJSPBEBK-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154564857 385338006 /nfs/dbraw/zinc/33/80/06/385338006.db2.gz IYCDRNSJSPBEBK-OLZOCXBDSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)C1CCC1 ZINC000309015069 385371360 /nfs/dbraw/zinc/37/13/60/385371360.db2.gz UCPPFCFXIMBAQU-DMDPSCGWSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)C1CCC1 ZINC000309015069 385371362 /nfs/dbraw/zinc/37/13/62/385371362.db2.gz UCPPFCFXIMBAQU-DMDPSCGWSA-N 2 2 210.365 2.247 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000309063951 385390568 /nfs/dbraw/zinc/39/05/68/385390568.db2.gz YHMUYFOTFLZKCL-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000155699595 385406514 /nfs/dbraw/zinc/40/65/14/385406514.db2.gz UXIVZNKGNMOVRY-LBPRGKRZSA-N 2 2 247.317 2.243 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1C[C@H]1C ZINC000309097230 385406798 /nfs/dbraw/zinc/40/67/98/385406798.db2.gz DHPMSAFADXDXDP-ZWNOBZJWSA-N 2 2 204.317 2.178 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000309099455 385409713 /nfs/dbraw/zinc/40/97/13/385409713.db2.gz FCBOOAULYXSNTF-MROQNXINSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000309099455 385409715 /nfs/dbraw/zinc/40/97/15/385409715.db2.gz FCBOOAULYXSNTF-MROQNXINSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000162082155 385411559 /nfs/dbraw/zinc/41/15/59/385411559.db2.gz AYTYJWVGJOAKJK-SSDOTTSWSA-N 2 2 233.142 2.430 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000309090861 385413603 /nfs/dbraw/zinc/41/36/03/385413603.db2.gz BBXCYDLGJCPQEB-DGCLKSJQSA-N 2 2 208.349 2.025 20 0 BEADLP CC(C)=CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000309090861 385413608 /nfs/dbraw/zinc/41/36/08/385413608.db2.gz BBXCYDLGJCPQEB-DGCLKSJQSA-N 2 2 208.349 2.025 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCC[N@@H+]1C ZINC000309090944 385414148 /nfs/dbraw/zinc/41/41/48/385414148.db2.gz BEQRFHPLZDKSIE-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCC[N@H+]1C ZINC000309090944 385414151 /nfs/dbraw/zinc/41/41/51/385414151.db2.gz BEQRFHPLZDKSIE-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1CC ZINC000309164899 385444949 /nfs/dbraw/zinc/44/49/49/385444949.db2.gz IOAFDAYTILQBOY-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1CC ZINC000309164899 385444953 /nfs/dbraw/zinc/44/49/53/385444953.db2.gz IOAFDAYTILQBOY-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C)C2)s1 ZINC000053201798 385456690 /nfs/dbraw/zinc/45/66/90/385456690.db2.gz SFAYSOYFPDXIPN-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH2+]C)C2)s1 ZINC000053201798 385456694 /nfs/dbraw/zinc/45/66/94/385456694.db2.gz SFAYSOYFPDXIPN-NSHDSACASA-N 2 2 238.400 2.494 20 0 BEADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000180295042 385517357 /nfs/dbraw/zinc/51/73/57/385517357.db2.gz NFONRRKMILQUHO-UHFFFAOYSA-N 2 2 215.300 2.319 20 0 BEADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000180295042 385517360 /nfs/dbraw/zinc/51/73/60/385517360.db2.gz NFONRRKMILQUHO-UHFFFAOYSA-N 2 2 215.300 2.319 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccncn1 ZINC000453136179 385545058 /nfs/dbraw/zinc/54/50/58/385545058.db2.gz PTKCLUUMKPZTOY-AVGNSLFASA-N 2 2 248.374 2.000 20 0 BEADLP CC[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000181122641 385563631 /nfs/dbraw/zinc/56/36/31/385563631.db2.gz MSVBRELYGDDDNM-GFCCVEGCSA-N 2 2 249.358 2.011 20 0 BEADLP CC[C@@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181099827 385564193 /nfs/dbraw/zinc/56/41/93/385564193.db2.gz OWIITCFSKFMOOB-GFCCVEGCSA-N 2 2 209.337 2.251 20 0 BEADLP CC[C@@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181099827 385564197 /nfs/dbraw/zinc/56/41/97/385564197.db2.gz OWIITCFSKFMOOB-GFCCVEGCSA-N 2 2 209.337 2.251 20 0 BEADLP Cc1cc(CNc2cc(C)[nH+]c(C)n2)cc(C)[nH+]1 ZINC000643191229 385637320 /nfs/dbraw/zinc/63/73/20/385637320.db2.gz SXWCOCUIQPNIAS-UHFFFAOYSA-N 2 2 242.326 2.139 20 0 BEADLP COCC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000337387143 385639095 /nfs/dbraw/zinc/63/90/95/385639095.db2.gz IKSQIMOABMDTBV-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000337387143 385639103 /nfs/dbraw/zinc/63/91/03/385639103.db2.gz IKSQIMOABMDTBV-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336682870 385645612 /nfs/dbraw/zinc/64/56/12/385645612.db2.gz SCRKBPJULJUBNY-MNOVXSKESA-N 2 2 221.348 2.291 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336682870 385645614 /nfs/dbraw/zinc/64/56/14/385645614.db2.gz SCRKBPJULJUBNY-MNOVXSKESA-N 2 2 221.348 2.291 20 0 BEADLP COc1ccccc1/C=C/C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414851062 385646014 /nfs/dbraw/zinc/64/60/14/385646014.db2.gz SXICZJOHCOYXCB-BTKRWWFXSA-N 2 2 246.354 2.050 20 0 BEADLP COc1ccccc1/C=C\C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414851066 385648194 /nfs/dbraw/zinc/64/81/94/385648194.db2.gz SXICZJOHCOYXCB-HJHHMULASA-N 2 2 246.354 2.050 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000336733958 385649407 /nfs/dbraw/zinc/64/94/07/385649407.db2.gz KODKFRSPGRQMKN-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000336733958 385649412 /nfs/dbraw/zinc/64/94/12/385649412.db2.gz KODKFRSPGRQMKN-KBPBESRZSA-N 2 2 222.376 2.417 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337408046 385649950 /nfs/dbraw/zinc/64/99/50/385649950.db2.gz UHLUYASYWHEPET-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP FC(F)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000337407923 385650901 /nfs/dbraw/zinc/65/09/01/385650901.db2.gz NOVZBQDSPGBKLU-NSHDSACASA-N 2 2 243.301 2.393 20 0 BEADLP FC(F)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000337407923 385650908 /nfs/dbraw/zinc/65/09/08/385650908.db2.gz NOVZBQDSPGBKLU-NSHDSACASA-N 2 2 243.301 2.393 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336653229 385665781 /nfs/dbraw/zinc/66/57/81/385665781.db2.gz GCCPGIPKFRKUJL-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336653229 385665784 /nfs/dbraw/zinc/66/57/84/385665784.db2.gz GCCPGIPKFRKUJL-KGLIPLIRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764591 385656645 /nfs/dbraw/zinc/65/66/45/385656645.db2.gz ZPERAUPGOOGZOS-JQWIXIFHSA-N 2 2 207.321 2.468 20 0 BEADLP CC(C)=CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000309520739 385656968 /nfs/dbraw/zinc/65/69/68/385656968.db2.gz AMJFDTVHACATQI-UHFFFAOYSA-N 2 2 239.388 2.261 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cncs1)C1CCCCC1 ZINC000414851498 385658408 /nfs/dbraw/zinc/65/84/08/385658408.db2.gz OXUUNMVTKJSVSH-GFCCVEGCSA-N 2 2 239.388 2.140 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cccc(SCC)c1 ZINC000414854553 385694744 /nfs/dbraw/zinc/69/47/44/385694744.db2.gz ZNEIGIGIVHUYIC-UHFFFAOYSA-N 2 2 238.400 2.498 20 0 BEADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)CCS1 ZINC000182835903 385710499 /nfs/dbraw/zinc/71/04/99/385710499.db2.gz YKSKNQBOWUTRQH-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)CCS1 ZINC000182835903 385710503 /nfs/dbraw/zinc/71/05/03/385710503.db2.gz YKSKNQBOWUTRQH-UHFFFAOYSA-N 2 2 239.388 2.101 20 0 BEADLP CSC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182866114 385713242 /nfs/dbraw/zinc/71/32/42/385713242.db2.gz XXSYYCWDWWPGQZ-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP CSC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182866114 385713245 /nfs/dbraw/zinc/71/32/45/385713245.db2.gz XXSYYCWDWWPGQZ-LBPRGKRZSA-N 2 2 239.388 2.101 20 0 BEADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CCC1 ZINC000309585244 385715448 /nfs/dbraw/zinc/71/54/48/385715448.db2.gz RNZVHYWEDHWDNH-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253192289 385669931 /nfs/dbraw/zinc/66/99/31/385669931.db2.gz MYVGZZOLTHUVBG-OLZOCXBDSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253192289 385669938 /nfs/dbraw/zinc/66/99/38/385669938.db2.gz MYVGZZOLTHUVBG-OLZOCXBDSA-N 2 2 234.343 2.304 20 0 BEADLP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414859083 385733638 /nfs/dbraw/zinc/73/36/38/385733638.db2.gz AMVPVHQOXLCRSM-OAHLLOKOSA-N 2 2 230.355 2.406 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858456 385737115 /nfs/dbraw/zinc/73/71/15/385737115.db2.gz JKTPIFBAODUGJG-ZDUSSCGKSA-N 3 2 241.423 2.001 20 0 BEADLP CCC[NH2+]CC[NH2+]C/C=C\c1ccccc1OC ZINC000414865853 385770144 /nfs/dbraw/zinc/77/01/44/385770144.db2.gz GANXWUSHGPQCNW-VURMDHGXSA-N 2 2 248.370 2.298 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000309591621 385719970 /nfs/dbraw/zinc/71/99/70/385719970.db2.gz UYPUHXZGTIRBAP-BXUZGUMPSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000309591621 385719976 /nfs/dbraw/zinc/71/99/76/385719976.db2.gz UYPUHXZGTIRBAP-BXUZGUMPSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000488467400 385805294 /nfs/dbraw/zinc/80/52/94/385805294.db2.gz WJHIMAWDDXFFSB-RYUDHWBXSA-N 2 2 229.327 2.122 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000261529062 385817140 /nfs/dbraw/zinc/81/71/40/385817140.db2.gz AFUAFBCHHIXVQG-MWLCHTKSSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000261529062 385817142 /nfs/dbraw/zinc/81/71/42/385817142.db2.gz AFUAFBCHHIXVQG-MWLCHTKSSA-N 2 2 210.346 2.232 20 0 BEADLP CC[C@@H](C[NH2+][C@@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000340171833 385820623 /nfs/dbraw/zinc/82/06/23/385820623.db2.gz ALEHKNSEHNKTEP-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000271377292 385822606 /nfs/dbraw/zinc/82/26/06/385822606.db2.gz HVIOHNWNLKUTKR-QWHCGFSZSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000271377292 385822610 /nfs/dbraw/zinc/82/26/10/385822610.db2.gz HVIOHNWNLKUTKR-QWHCGFSZSA-N 2 2 233.359 2.135 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000336741035 385844143 /nfs/dbraw/zinc/84/41/43/385844143.db2.gz MVSGRZQHDYYGDL-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271800601 385850674 /nfs/dbraw/zinc/85/06/74/385850674.db2.gz LEGZQCASMYUILH-UHFFFAOYSA-N 2 2 203.289 2.175 20 0 BEADLP CC(C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271800601 385850677 /nfs/dbraw/zinc/85/06/77/385850677.db2.gz LEGZQCASMYUILH-UHFFFAOYSA-N 2 2 203.289 2.175 20 0 BEADLP C[N@H+]1CC=C(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000271789062 385851651 /nfs/dbraw/zinc/85/16/51/385851651.db2.gz IVVXRBLCGATYLW-UHFFFAOYSA-N 2 2 244.342 2.028 20 0 BEADLP C[N@@H+]1CC=C(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000271789062 385851654 /nfs/dbraw/zinc/85/16/54/385851654.db2.gz IVVXRBLCGATYLW-UHFFFAOYSA-N 2 2 244.342 2.028 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1sccc1C ZINC000414965730 385907769 /nfs/dbraw/zinc/90/77/69/385907769.db2.gz VWCKWBALQCFRHL-SNVBAGLBSA-N 2 2 212.362 2.144 20 0 BEADLP CC1(C)OCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000294876453 385907816 /nfs/dbraw/zinc/90/78/16/385907816.db2.gz UMOGHLLLUSMRJV-GFCCVEGCSA-N 2 2 249.358 2.041 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)cs1 ZINC000414966350 385918755 /nfs/dbraw/zinc/91/87/55/385918755.db2.gz WLVKKOOPBVMMQT-MRVPVSSYSA-N 2 2 232.780 2.489 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335033423 385920852 /nfs/dbraw/zinc/92/08/52/385920852.db2.gz PQRBYQSSOWNRHL-IINYFYTJSA-N 2 2 234.318 2.155 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc(C)c1F ZINC000335032781 385921189 /nfs/dbraw/zinc/92/11/89/385921189.db2.gz ABPRVXGVNFVAOU-AAEUAGOBSA-N 2 2 236.334 2.455 20 0 BEADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335038266 385927628 /nfs/dbraw/zinc/92/76/28/385927628.db2.gz IGPMQBGROOFIKY-OCCSQVGLSA-N 2 2 234.318 2.155 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC000414959586 385864324 /nfs/dbraw/zinc/86/43/24/385864324.db2.gz PWVCXTQXULEHIG-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335038267 385927699 /nfs/dbraw/zinc/92/76/99/385927699.db2.gz IGPMQBGROOFIKY-TZMCWYRMSA-N 2 2 234.318 2.155 20 0 BEADLP C[NH+]1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000272012380 385867631 /nfs/dbraw/zinc/86/76/31/385867631.db2.gz QKVXVCZNEAUVKM-UHFFFAOYSA-N 2 2 230.355 2.360 20 0 BEADLP CCc1cc(OC)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414873208 385871626 /nfs/dbraw/zinc/87/16/26/385871626.db2.gz XIVGNWSBKUVKRM-CQSZACIVSA-N 2 2 248.370 2.099 20 0 BEADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000337993613 385871656 /nfs/dbraw/zinc/87/16/56/385871656.db2.gz CFAKSRBHCPTBFE-STQMWFEESA-N 2 2 239.338 2.391 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccccc1OC(F)(F)F ZINC000414959942 385878506 /nfs/dbraw/zinc/87/85/06/385878506.db2.gz UIOFZEREQRXYFL-QMMMGPOBSA-N 2 2 248.248 2.022 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000251599752 385979399 /nfs/dbraw/zinc/97/93/99/385979399.db2.gz ZACBMGYUOSEBLQ-DGCLKSJQSA-N 2 2 204.317 2.041 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000251599752 385979405 /nfs/dbraw/zinc/97/94/05/385979405.db2.gz ZACBMGYUOSEBLQ-DGCLKSJQSA-N 2 2 204.317 2.041 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC000221159587 385982471 /nfs/dbraw/zinc/98/24/71/385982471.db2.gz KFDVHTCJRZZTPA-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000221159587 385982475 /nfs/dbraw/zinc/98/24/75/385982475.db2.gz KFDVHTCJRZZTPA-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000251698801 385990529 /nfs/dbraw/zinc/99/05/29/385990529.db2.gz HOTUTBURBSSVDZ-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000251698801 385990532 /nfs/dbraw/zinc/99/05/32/385990532.db2.gz HOTUTBURBSSVDZ-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335040029 385931002 /nfs/dbraw/zinc/93/10/02/385931002.db2.gz GRJQKJYSOWEGRL-DOMZBBRYSA-N 2 2 230.355 2.324 20 0 BEADLP C[C@H](C[NH2+]Cc1ccc(F)cc1F)C[NH+](C)C ZINC000291742433 385933912 /nfs/dbraw/zinc/93/39/12/385933912.db2.gz PBANORUPXSXYAX-SNVBAGLBSA-N 2 2 242.313 2.252 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000335043539 385936625 /nfs/dbraw/zinc/93/66/25/385936625.db2.gz ROCFKWZPIBIEHL-DOMZBBRYSA-N 2 2 246.354 2.024 20 0 BEADLP CC[N@H+](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272829902 385939045 /nfs/dbraw/zinc/93/90/45/385939045.db2.gz GPPMVDLQQRKHOZ-UHFFFAOYSA-N 2 2 248.374 2.027 20 0 BEADLP CC[N@@H+](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272829902 385939052 /nfs/dbraw/zinc/93/90/52/385939052.db2.gz GPPMVDLQQRKHOZ-UHFFFAOYSA-N 2 2 248.374 2.027 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335053643 385950777 /nfs/dbraw/zinc/95/07/77/385950777.db2.gz JVKUPRKVQWAUTD-QMTHXVAHSA-N 2 2 231.343 2.065 20 0 BEADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335055045 385953951 /nfs/dbraw/zinc/95/39/51/385953951.db2.gz QMTWEBJADNIBCV-DZGCQCFKSA-N 2 2 230.355 2.406 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000414090314 385956684 /nfs/dbraw/zinc/95/66/84/385956684.db2.gz CPRGIFSDGIGRDZ-GFCCVEGCSA-N 2 2 244.342 2.017 20 0 BEADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414149672 385998111 /nfs/dbraw/zinc/99/81/11/385998111.db2.gz XQULFJWVZVGGFN-MJBXVCDLSA-N 2 2 222.376 2.273 20 0 BEADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414149672 385998116 /nfs/dbraw/zinc/99/81/16/385998116.db2.gz XQULFJWVZVGGFN-MJBXVCDLSA-N 2 2 222.376 2.273 20 0 BEADLP CC(C)CCC[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000338445596 386005250 /nfs/dbraw/zinc/00/52/50/386005250.db2.gz MIVOWRCUIPCRJT-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336751094 386006824 /nfs/dbraw/zinc/00/68/24/386006824.db2.gz FLRNGIKAYPVYOS-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000336751094 386006829 /nfs/dbraw/zinc/00/68/29/386006829.db2.gz FLRNGIKAYPVYOS-QWHCGFSZSA-N 2 2 210.365 2.106 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335062504 386030647 /nfs/dbraw/zinc/03/06/47/386030647.db2.gz QLEYDUJFWFWPLL-ZFWWWQNUSA-N 2 2 230.355 2.406 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335076663 386047558 /nfs/dbraw/zinc/04/75/58/386047558.db2.gz VROWLVMXJDOIEK-GXTWGEPZSA-N 2 2 234.318 2.155 20 0 BEADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccncc1 ZINC000453052808 386105011 /nfs/dbraw/zinc/10/50/11/386105011.db2.gz DIICPFYRORZJBY-CYBMUJFWSA-N 2 2 230.315 2.019 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000340523245 386116288 /nfs/dbraw/zinc/11/62/88/386116288.db2.gz GTJYHSHXVSERCF-SDDRHHMPSA-N 2 2 240.391 2.015 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000340523245 386116292 /nfs/dbraw/zinc/11/62/92/386116292.db2.gz GTJYHSHXVSERCF-SDDRHHMPSA-N 2 2 240.391 2.015 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc2ccccc2o1 ZINC000414982838 386071367 /nfs/dbraw/zinc/07/13/67/386071367.db2.gz SSWVVNCELONRRE-NSHDSACASA-N 2 2 218.300 2.260 20 0 BEADLP Clc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335156213 386150517 /nfs/dbraw/zinc/15/05/17/386150517.db2.gz MLRYDXFDXWPLEI-DGCLKSJQSA-N 2 2 236.746 2.279 20 0 BEADLP CC[C@H](F)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000440781564 386154629 /nfs/dbraw/zinc/15/46/29/386154629.db2.gz SVHXQQDNBKGHIU-NSHDSACASA-N 2 2 216.344 2.151 20 0 BEADLP CC[C@H](F)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000440781564 386154635 /nfs/dbraw/zinc/15/46/35/386154635.db2.gz SVHXQQDNBKGHIU-NSHDSACASA-N 2 2 216.344 2.151 20 0 BEADLP CCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)nc1 ZINC000338907208 386176313 /nfs/dbraw/zinc/17/63/13/386176313.db2.gz ZENKJGPZYMEWEN-UHFFFAOYSA-N 2 2 247.386 2.170 20 0 BEADLP C[N@H+](CC[NH3+])CCOc1ccc2ccccc2c1 ZINC000054419154 386126939 /nfs/dbraw/zinc/12/69/39/386126939.db2.gz CTZOQCGVYPLIDM-UHFFFAOYSA-N 2 2 244.338 2.109 20 0 BEADLP C[N@@H+](CC[NH3+])CCOc1ccc2ccccc2c1 ZINC000054419154 386126951 /nfs/dbraw/zinc/12/69/51/386126951.db2.gz CTZOQCGVYPLIDM-UHFFFAOYSA-N 2 2 244.338 2.109 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@@H+]1C1CC1 ZINC000414346950 386136335 /nfs/dbraw/zinc/13/63/35/386136335.db2.gz VESCDXBUYCGGOB-OIMNJJJWSA-N 2 2 246.354 2.350 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C[N@H+]1C1CC1 ZINC000414346950 386136337 /nfs/dbraw/zinc/13/63/37/386136337.db2.gz VESCDXBUYCGGOB-OIMNJJJWSA-N 2 2 246.354 2.350 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)C(C)(C)C)C1CC1 ZINC000155875449 386136984 /nfs/dbraw/zinc/13/69/84/386136984.db2.gz ZLPUZFSCCVHXRU-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)C(C)(C)C)C1CC1 ZINC000155875449 386136986 /nfs/dbraw/zinc/13/69/86/386136986.db2.gz ZLPUZFSCCVHXRU-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@H](CC[NH3+])C(F)F ZINC000414989348 386140163 /nfs/dbraw/zinc/14/01/63/386140163.db2.gz MPZPTWIGNVGHKJ-NXEZZACHSA-N 2 2 222.323 2.241 20 0 BEADLP C[N@H+](CC[NH3+])Cc1cccc(C(F)F)c1 ZINC000124792879 386141515 /nfs/dbraw/zinc/14/15/15/386141515.db2.gz ZEQFKOZTUKBHIV-UHFFFAOYSA-N 2 2 214.259 2.015 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1cccc(C(F)F)c1 ZINC000124792879 386141525 /nfs/dbraw/zinc/14/15/25/386141525.db2.gz ZEQFKOZTUKBHIV-UHFFFAOYSA-N 2 2 214.259 2.015 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000414896393 386202117 /nfs/dbraw/zinc/20/21/17/386202117.db2.gz PACMXJZLLUQJLJ-CYBMUJFWSA-N 2 2 230.311 2.260 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000131406315 386206825 /nfs/dbraw/zinc/20/68/25/386206825.db2.gz PZYRBXOONCHHFD-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000131406315 386206831 /nfs/dbraw/zinc/20/68/31/386206831.db2.gz PZYRBXOONCHHFD-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000131417206 386207273 /nfs/dbraw/zinc/20/72/73/386207273.db2.gz FRFPCYDOBISAQL-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000131417206 386207277 /nfs/dbraw/zinc/20/72/77/386207277.db2.gz FRFPCYDOBISAQL-OAHLLOKOSA-N 2 2 230.355 2.487 20 0 BEADLP CC(C)[C@H]1C[N@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000414703221 386209567 /nfs/dbraw/zinc/20/95/67/386209567.db2.gz JJBVIWDLJYKYBL-GFCCVEGCSA-N 2 2 244.448 2.448 20 0 BEADLP CC(C)[C@H]1C[N@@H+](CC[NH2+]C(C)(C)C)CCS1 ZINC000414703221 386209573 /nfs/dbraw/zinc/20/95/73/386209573.db2.gz JJBVIWDLJYKYBL-GFCCVEGCSA-N 2 2 244.448 2.448 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000414897300 386218046 /nfs/dbraw/zinc/21/80/46/386218046.db2.gz RCYLTERYJJZQFW-ZDUSSCGKSA-N 2 2 248.301 2.399 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1F ZINC000131779777 386222368 /nfs/dbraw/zinc/22/23/68/386222368.db2.gz ZZAGONSXBHDTNQ-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(F)c1F ZINC000131779777 386222370 /nfs/dbraw/zinc/22/23/70/386222370.db2.gz ZZAGONSXBHDTNQ-NXEZZACHSA-N 2 2 240.297 2.134 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(C)(C)OC)[C@@H](C)C1 ZINC000347141904 386260121 /nfs/dbraw/zinc/26/01/21/386260121.db2.gz HXKPWOLKDLYGLD-XQQFMLRXSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(C)(C)OC)[C@@H](C)C1 ZINC000347141904 386260123 /nfs/dbraw/zinc/26/01/23/386260123.db2.gz HXKPWOLKDLYGLD-XQQFMLRXSA-N 2 2 242.407 2.120 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000275636535 386227645 /nfs/dbraw/zinc/22/76/45/386227645.db2.gz RHMZQNSMGYIJKK-HUUCEWRRSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000275636537 386228159 /nfs/dbraw/zinc/22/81/59/386228159.db2.gz RHMZQNSMGYIJKK-LSDHHAIUSA-N 2 2 232.371 2.474 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000347111873 386232304 /nfs/dbraw/zinc/23/23/04/386232304.db2.gz QELNFMHZIMOXRQ-HMDXOVGESA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000347111873 386232307 /nfs/dbraw/zinc/23/23/07/386232307.db2.gz QELNFMHZIMOXRQ-HMDXOVGESA-N 2 2 240.297 2.257 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638355614 386249989 /nfs/dbraw/zinc/24/99/89/386249989.db2.gz OMNYRCYFMVOGPT-WOPDTQHZSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298646 386199437 /nfs/dbraw/zinc/19/94/37/386199437.db2.gz PVUIZJZJIBTBOO-WFASDCNBSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(O)c1 ZINC000275298646 386199442 /nfs/dbraw/zinc/19/94/42/386199442.db2.gz PVUIZJZJIBTBOO-WFASDCNBSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(O)c1 ZINC000275298646 386199449 /nfs/dbraw/zinc/19/94/49/386199449.db2.gz PVUIZJZJIBTBOO-WFASDCNBSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(O)c1 ZINC000275298646 386199453 /nfs/dbraw/zinc/19/94/53/386199453.db2.gz PVUIZJZJIBTBOO-WFASDCNBSA-N 2 2 248.370 2.164 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[N@H+](C)C1CC1 ZINC000336730901 386289863 /nfs/dbraw/zinc/28/98/63/386289863.db2.gz FAFWTWGYPFBQIG-GVXVVHGQSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[N@@H+](C)C1CC1 ZINC000336730901 386289873 /nfs/dbraw/zinc/28/98/73/386289873.db2.gz FAFWTWGYPFBQIG-GVXVVHGQSA-N 2 2 224.392 2.493 20 0 BEADLP CCCC[N@H+](CC)CCc1c[nH+]cn1C ZINC000289422242 386301579 /nfs/dbraw/zinc/30/15/79/386301579.db2.gz UTHMIIBLFJNNCQ-UHFFFAOYSA-N 2 2 209.337 2.085 20 0 BEADLP CCCC[N@@H+](CC)CCc1c[nH+]cn1C ZINC000289422242 386301583 /nfs/dbraw/zinc/30/15/83/386301583.db2.gz UTHMIIBLFJNNCQ-UHFFFAOYSA-N 2 2 209.337 2.085 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 ZINC000415006363 386325340 /nfs/dbraw/zinc/32/53/40/386325340.db2.gz BGMVPIPKXMMUGK-BDAKNGLRSA-N 2 2 227.377 2.092 20 0 BEADLP COc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347155549 386264055 /nfs/dbraw/zinc/26/40/55/386264055.db2.gz CYHLWURDDWMNGL-CQSZACIVSA-N 2 2 246.354 2.022 20 0 BEADLP COc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347155549 386264059 /nfs/dbraw/zinc/26/40/59/386264059.db2.gz CYHLWURDDWMNGL-CQSZACIVSA-N 2 2 246.354 2.022 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cccs1 ZINC000297600022 386265793 /nfs/dbraw/zinc/26/57/93/386265793.db2.gz FSJXPJJQFYJISZ-UHFFFAOYSA-N 2 2 235.356 2.156 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccs1 ZINC000297600022 386265800 /nfs/dbraw/zinc/26/58/00/386265800.db2.gz FSJXPJJQFYJISZ-UHFFFAOYSA-N 2 2 235.356 2.156 20 0 BEADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000133050838 386271842 /nfs/dbraw/zinc/27/18/42/386271842.db2.gz DCFYNWZGMFIXQO-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP CCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC000133050838 386271854 /nfs/dbraw/zinc/27/18/54/386271854.db2.gz DCFYNWZGMFIXQO-CQSZACIVSA-N 2 2 248.370 2.269 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000164870605 386344994 /nfs/dbraw/zinc/34/49/94/386344994.db2.gz JJRIJAFJZLFISS-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000164870605 386344999 /nfs/dbraw/zinc/34/49/99/386344999.db2.gz JJRIJAFJZLFISS-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP c1c[nH+]c(C2CC[NH+](Cc3cccnc3)CC2)[nH]1 ZINC000265512166 386345434 /nfs/dbraw/zinc/34/54/34/386345434.db2.gz RFTXIJDXKRXGCU-UHFFFAOYSA-N 2 2 242.326 2.184 20 0 BEADLP C[C@@]1(F)CC[N@H+](CCC[NH+]2CC[C@](C)(F)C2)C1 ZINC000347350173 386347262 /nfs/dbraw/zinc/34/72/62/386347262.db2.gz MDUHWPXRXUCEGB-BETUJISGSA-N 2 2 246.345 2.244 20 0 BEADLP C[C@@]1(F)CC[N@@H+](CCC[NH+]2CC[C@](C)(F)C2)C1 ZINC000347350173 386347267 /nfs/dbraw/zinc/34/72/67/386347267.db2.gz MDUHWPXRXUCEGB-BETUJISGSA-N 2 2 246.345 2.244 20 0 BEADLP C[C@@]1(F)CC[NH+](CCC[N@@H+]2CC[C@](C)(F)C2)C1 ZINC000347350173 386347274 /nfs/dbraw/zinc/34/72/74/386347274.db2.gz MDUHWPXRXUCEGB-BETUJISGSA-N 2 2 246.345 2.244 20 0 BEADLP C[C@@]1(F)CC[NH+](CCC[N@H+]2CC[C@](C)(F)C2)C1 ZINC000347350173 386347282 /nfs/dbraw/zinc/34/72/82/386347282.db2.gz MDUHWPXRXUCEGB-BETUJISGSA-N 2 2 246.345 2.244 20 0 BEADLP Cc1ccsc1C[N@@H+](C)Cc1c[nH+]cn1C ZINC000336691783 386363448 /nfs/dbraw/zinc/36/34/48/386363448.db2.gz CGOCPXPRROSRLL-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Cc1ccsc1C[N@H+](C)Cc1c[nH+]cn1C ZINC000336691783 386363452 /nfs/dbraw/zinc/36/34/52/386363452.db2.gz CGOCPXPRROSRLL-UHFFFAOYSA-N 2 2 235.356 2.422 20 0 BEADLP Fc1cccc([C@@H]2CC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647890038 386364232 /nfs/dbraw/zinc/36/42/32/386364232.db2.gz IQBKAUMETFJGEQ-FZMZJTMJSA-N 2 2 234.318 2.182 20 0 BEADLP Fc1cccc([C@@H]2CC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647890038 386364235 /nfs/dbraw/zinc/36/42/35/386364235.db2.gz IQBKAUMETFJGEQ-FZMZJTMJSA-N 2 2 234.318 2.182 20 0 BEADLP CC(C)c1cnc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 ZINC000415006364 386326436 /nfs/dbraw/zinc/32/64/36/386326436.db2.gz BGMVPIPKXMMUGK-DTWKUNHWSA-N 2 2 227.377 2.092 20 0 BEADLP CCSCC[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000336773933 386331250 /nfs/dbraw/zinc/33/12/50/386331250.db2.gz WNBNKWPFPFFNHW-CYBMUJFWSA-N 2 2 244.448 2.450 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)[nH]1 ZINC000276494057 386333762 /nfs/dbraw/zinc/33/37/62/386333762.db2.gz WDDTUZQHPHTPFW-QWHCGFSZSA-N 2 2 247.342 2.282 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)[nH]1 ZINC000276494057 386333764 /nfs/dbraw/zinc/33/37/64/386333764.db2.gz WDDTUZQHPHTPFW-QWHCGFSZSA-N 2 2 247.342 2.282 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[N@@H+]1C1CC1 ZINC000336777634 386436894 /nfs/dbraw/zinc/43/68/94/386436894.db2.gz JBABJNGXVNKNCV-KXNHARMFSA-N 2 2 226.339 2.092 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C[N@H+]1C1CC1 ZINC000336777634 386436904 /nfs/dbraw/zinc/43/69/04/386436904.db2.gz JBABJNGXVNKNCV-KXNHARMFSA-N 2 2 226.339 2.092 20 0 BEADLP COC[C@H]1CCCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414754692 386391766 /nfs/dbraw/zinc/39/17/66/386391766.db2.gz GLNDFPSKAIBJAV-UONOGXRCSA-N 2 2 242.407 2.108 20 0 BEADLP COC[C@H]1CCCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414754692 386391769 /nfs/dbraw/zinc/39/17/69/386391769.db2.gz GLNDFPSKAIBJAV-UONOGXRCSA-N 2 2 242.407 2.108 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000414908167 386398371 /nfs/dbraw/zinc/39/83/71/386398371.db2.gz BBIBNSLANLEXCS-ZWNOBZJWSA-N 2 2 238.762 2.428 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000336700790 386400776 /nfs/dbraw/zinc/40/07/76/386400776.db2.gz LGSKCCKWVLXJQK-YPMHNXCESA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000336700790 386400780 /nfs/dbraw/zinc/40/07/80/386400780.db2.gz LGSKCCKWVLXJQK-YPMHNXCESA-N 2 2 221.348 2.312 20 0 BEADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000290164407 386401523 /nfs/dbraw/zinc/40/15/23/386401523.db2.gz MCHRNFZZWHKELM-XHDPSFHLSA-N 2 2 246.354 2.192 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccn(C)c1 ZINC000290195208 386404556 /nfs/dbraw/zinc/40/45/56/386404556.db2.gz CMQKXHSXTUGULQ-UHFFFAOYSA-N 2 2 243.354 2.451 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@]1(C)CCOC1 ZINC000290295581 386416644 /nfs/dbraw/zinc/41/66/44/386416644.db2.gz HIUKIKCBWDXPKX-AWEZNQCLSA-N 2 2 234.343 2.091 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCOCC1 ZINC000290302695 386418379 /nfs/dbraw/zinc/41/83/79/386418379.db2.gz IBMBJTRTNRJOSQ-HNNXBMFYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1ccc(CCCN2[C@@H](C)C[NH2+]C[C@@H]2C)c[nH+]1 ZINC000339405358 386418749 /nfs/dbraw/zinc/41/87/49/386418749.db2.gz BFWWFCWSZNHEAN-KBPBESRZSA-N 2 2 247.386 2.005 20 0 BEADLP C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H](C)[NH3+] ZINC000415009385 386419384 /nfs/dbraw/zinc/41/93/84/386419384.db2.gz NZUJAZBGUWWFNB-DTWKUNHWSA-N 2 2 239.388 2.236 20 0 BEADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000299138848 386420171 /nfs/dbraw/zinc/42/01/71/386420171.db2.gz SSDRHTSYDWBJGH-UHFFFAOYSA-N 2 2 242.313 2.348 20 0 BEADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000299138848 386420175 /nfs/dbraw/zinc/42/01/75/386420175.db2.gz SSDRHTSYDWBJGH-UHFFFAOYSA-N 2 2 242.313 2.348 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414910171 386428425 /nfs/dbraw/zinc/42/84/25/386428425.db2.gz CGXNNTJYSKQQAX-SWLSCSKDSA-N 2 2 232.371 2.337 20 0 BEADLP c1cn(CC[N@@H+]2CC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000336714897 386432041 /nfs/dbraw/zinc/43/20/41/386432041.db2.gz QWIVAPMELUBWDA-HNNXBMFYSA-N 2 2 241.338 2.200 20 0 BEADLP c1cn(CC[N@H+]2CC[C@H]2Cc2ccccc2)c[nH+]1 ZINC000336714897 386432046 /nfs/dbraw/zinc/43/20/46/386432046.db2.gz QWIVAPMELUBWDA-HNNXBMFYSA-N 2 2 241.338 2.200 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000335426953 386479134 /nfs/dbraw/zinc/47/91/34/386479134.db2.gz ODOWCPSAHVEJAE-RYUDHWBXSA-N 2 2 221.348 2.312 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000335426953 386479142 /nfs/dbraw/zinc/47/91/42/386479142.db2.gz ODOWCPSAHVEJAE-RYUDHWBXSA-N 2 2 221.348 2.312 20 0 BEADLP C[Si](C)(C)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266909598 386480308 /nfs/dbraw/zinc/48/03/08/386480308.db2.gz IMHOPHXZXQRNIF-NSHDSACASA-N 2 2 237.423 2.467 20 0 BEADLP C[Si](C)(C)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266909598 386480310 /nfs/dbraw/zinc/48/03/10/386480310.db2.gz IMHOPHXZXQRNIF-NSHDSACASA-N 2 2 237.423 2.467 20 0 BEADLP CO[C@@H](C)[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000290879426 386484337 /nfs/dbraw/zinc/48/43/37/386484337.db2.gz KRFPXDFWWYUVMM-OLZOCXBDSA-N 2 2 236.359 2.336 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCC[C@@H]1F ZINC000339585494 386487787 /nfs/dbraw/zinc/48/77/87/386487787.db2.gz WSEQDANTMQNRSV-RYUDHWBXSA-N 2 2 237.322 2.128 20 0 BEADLP COC1(C[C@H](C)[NH2+]CC2([NH+](C)C)CC2)CCC1 ZINC000417353931 386490840 /nfs/dbraw/zinc/49/08/40/386490840.db2.gz KNNRSGSZYPULGY-LBPRGKRZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000415013084 386492944 /nfs/dbraw/zinc/49/29/44/386492944.db2.gz KAAAWSSMLFXJNJ-YUMQZZPRSA-N 2 2 230.714 2.304 20 0 BEADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1C ZINC000415043025 386530599 /nfs/dbraw/zinc/53/05/99/386530599.db2.gz REAHNCKXERKONU-CQSZACIVSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c[nH+]1 ZINC000415050422 386505217 /nfs/dbraw/zinc/50/52/17/386505217.db2.gz CLTHQULSZQPPEI-AWEZNQCLSA-N 3 2 249.402 2.286 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)CCC[NH3+])c[nH+]1 ZINC000415020088 386509426 /nfs/dbraw/zinc/50/94/26/386509426.db2.gz IXUUYRFNJBBLLJ-GFCCVEGCSA-N 3 2 235.375 2.040 20 0 BEADLP Cc1cc[nH+]c(N2CC[NH+](CCC3CC3)CC2)c1 ZINC000336784721 386510471 /nfs/dbraw/zinc/51/04/71/386510471.db2.gz WIDWGPVQTCKNCR-UHFFFAOYSA-N 2 2 245.370 2.312 20 0 BEADLP C[C@@H]([NH2+]Cc1sccc1Cl)[C@H](C)[NH3+] ZINC000415022685 386511944 /nfs/dbraw/zinc/51/19/44/386511944.db2.gz VXNGEDNAXOYXDW-NKWVEPMBSA-N 2 2 218.753 2.227 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC1(C)C ZINC000336754565 386522701 /nfs/dbraw/zinc/52/27/01/386522701.db2.gz HPYSCTYRLMAMCB-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC1(C)C ZINC000336754565 386522705 /nfs/dbraw/zinc/52/27/05/386522705.db2.gz HPYSCTYRLMAMCB-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP COc1ccc(C[N@H+](C)CC[NH3+])c2ccccc12 ZINC000094692741 386464972 /nfs/dbraw/zinc/46/49/72/386464972.db2.gz IVLKZBPRWKOBCA-UHFFFAOYSA-N 2 2 244.338 2.239 20 0 BEADLP COc1ccc(C[N@@H+](C)CC[NH3+])c2ccccc12 ZINC000094692741 386464978 /nfs/dbraw/zinc/46/49/78/386464978.db2.gz IVLKZBPRWKOBCA-UHFFFAOYSA-N 2 2 244.338 2.239 20 0 BEADLP Cc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000414922550 386594270 /nfs/dbraw/zinc/59/42/70/386594270.db2.gz GCYBCGWWYXOQNH-DOMZBBRYSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000414922552 386594533 /nfs/dbraw/zinc/59/45/33/386594533.db2.gz GCYBCGWWYXOQNH-IUODEOHRSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)[C@@H]1C ZINC000336644567 386594681 /nfs/dbraw/zinc/59/46/81/386594681.db2.gz ADKSUKFDNBEYJM-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP COc1cc(Cl)ccc1C[NH2+]CC(C)(C)[NH3+] ZINC000415084466 386596614 /nfs/dbraw/zinc/59/66/14/386596614.db2.gz RILYDPIUWLPQBY-UHFFFAOYSA-N 2 2 242.750 2.176 20 0 BEADLP C[C@@H]([NH3+])C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647995445 386538538 /nfs/dbraw/zinc/53/85/38/386538538.db2.gz ZLSWFMNQIUHPCD-SECBINFHSA-N 2 2 224.735 2.266 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)s1 ZINC000415059839 386542069 /nfs/dbraw/zinc/54/20/69/386542069.db2.gz ZJMKOHRFRJQGCN-NSHDSACASA-N 2 2 241.404 2.223 20 0 BEADLP Cc1nc(C[NH2+][C@H](C[NH3+])C2CCCC2)cs1 ZINC000415063674 386545709 /nfs/dbraw/zinc/54/57/09/386545709.db2.gz IQYHPGGCKYOZCP-GFCCVEGCSA-N 2 2 239.388 2.059 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415066465 386547449 /nfs/dbraw/zinc/54/74/49/386547449.db2.gz ISBKHCOLFYZPST-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP Cc1ncc(C[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000415070011 386552540 /nfs/dbraw/zinc/55/25/40/386552540.db2.gz UDROIFGMKVFIFX-LBPRGKRZSA-N 2 2 239.388 2.059 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000063195717 386552800 /nfs/dbraw/zinc/55/28/00/386552800.db2.gz YHIGBASLWSRKHM-UKRRQHHQSA-N 2 2 248.370 2.267 20 0 BEADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1ccccc1 ZINC000063195717 386552803 /nfs/dbraw/zinc/55/28/03/386552803.db2.gz YHIGBASLWSRKHM-UKRRQHHQSA-N 2 2 248.370 2.267 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063191499 386552829 /nfs/dbraw/zinc/55/28/29/386552829.db2.gz BFSJTJXCTAXWPK-DOMZBBRYSA-N 2 2 248.370 2.397 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000063191499 386552831 /nfs/dbraw/zinc/55/28/31/386552831.db2.gz BFSJTJXCTAXWPK-DOMZBBRYSA-N 2 2 248.370 2.397 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983734 386559554 /nfs/dbraw/zinc/55/95/54/386559554.db2.gz OELZAGALQQAKMR-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)CCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983734 386559556 /nfs/dbraw/zinc/55/95/56/386559556.db2.gz OELZAGALQQAKMR-GFCCVEGCSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)CF)c[nH+]1 ZINC000336756445 386565779 /nfs/dbraw/zinc/56/57/79/386565779.db2.gz JKOFQNTWFDWMEA-NSHDSACASA-N 2 2 210.296 2.270 20 0 BEADLP Cc1ccc(CC[NH2+]CC[N@@H+](C)C(C)C)cc1 ZINC000638478321 386570266 /nfs/dbraw/zinc/57/02/66/386570266.db2.gz WFEXYMFQYJFMFD-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP Cc1ccc(CC[NH2+]CC[N@H+](C)C(C)C)cc1 ZINC000638478321 386570271 /nfs/dbraw/zinc/57/02/71/386570271.db2.gz WFEXYMFQYJFMFD-UHFFFAOYSA-N 2 2 234.387 2.467 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc2ncccc2c1 ZINC000123775843 386571888 /nfs/dbraw/zinc/57/18/88/386571888.db2.gz MYCVOWIKBYYORX-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000123775843 386571894 /nfs/dbraw/zinc/57/18/94/386571894.db2.gz MYCVOWIKBYYORX-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000414808041 386620650 /nfs/dbraw/zinc/62/06/50/386620650.db2.gz SBDKFFPJBSPXKF-UHFFFAOYSA-N 2 2 238.379 2.071 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cc2ccccc2o1 ZINC000414809589 386622377 /nfs/dbraw/zinc/62/23/77/386622377.db2.gz VPQNTOBFYCUZNL-UHFFFAOYSA-N 2 2 218.300 2.260 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cncc(F)c1 ZINC000335498626 386623306 /nfs/dbraw/zinc/62/33/06/386623306.db2.gz RLXFSNYIGCLMNY-GXFFZTMASA-N 2 2 237.322 2.013 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)CF)s1 ZINC000336758154 386625385 /nfs/dbraw/zinc/62/53/85/386625385.db2.gz IDFRFPIMVVXJOK-UHFFFAOYSA-N 2 2 245.367 2.042 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(O)c1 ZINC000415114753 386626532 /nfs/dbraw/zinc/62/65/32/386626532.db2.gz UADUODGJCDQYLY-DGCLKSJQSA-N 2 2 236.359 2.416 20 0 BEADLP C[C@H](C[N@H+](C)CC[NH3+])c1cccc(Cl)c1 ZINC000415115676 386629854 /nfs/dbraw/zinc/62/98/54/386629854.db2.gz XAASQNJSVYACRE-SNVBAGLBSA-N 2 2 226.751 2.334 20 0 BEADLP C[C@H](C[N@@H+](C)CC[NH3+])c1cccc(Cl)c1 ZINC000415115676 386629857 /nfs/dbraw/zinc/62/98/57/386629857.db2.gz XAASQNJSVYACRE-SNVBAGLBSA-N 2 2 226.751 2.334 20 0 BEADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccn1 ZINC000415119855 386632807 /nfs/dbraw/zinc/63/28/07/386632807.db2.gz XXKWNRLXRBBYFI-VXGBXAGGSA-N 2 2 221.348 2.106 20 0 BEADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000414925075 386635024 /nfs/dbraw/zinc/63/50/24/386635024.db2.gz HQECRLNWUOYSKE-GFCCVEGCSA-N 2 2 248.370 2.445 20 0 BEADLP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415130156 386637058 /nfs/dbraw/zinc/63/70/58/386637058.db2.gz WAOCOTMYNQAMQA-CYBMUJFWSA-N 2 2 247.386 2.221 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000414813025 386642950 /nfs/dbraw/zinc/64/29/50/386642950.db2.gz YBXVLGPOFDUQKK-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336782437 386643977 /nfs/dbraw/zinc/64/39/77/386643977.db2.gz XQJMHWFHJCRSQB-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336782437 386643982 /nfs/dbraw/zinc/64/39/82/386643982.db2.gz XQJMHWFHJCRSQB-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1sccc1Cl)C1CC1 ZINC000414815155 386649710 /nfs/dbraw/zinc/64/97/10/386649710.db2.gz SOKZMQHIWAJATQ-VIFPVBQESA-N 2 2 230.764 2.228 20 0 BEADLP C[C@H](CNc1cc[nH+]c2ccncc12)C[NH+](C)C ZINC000291921781 386600399 /nfs/dbraw/zinc/60/03/99/386600399.db2.gz RNRKAGGTQIONGG-LLVKDONJSA-N 2 2 244.342 2.239 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cccc(Cl)c1F)C1CC1 ZINC000414803843 386605891 /nfs/dbraw/zinc/60/58/91/386605891.db2.gz OIIQMZODWZWVLX-NSHDSACASA-N 2 2 242.725 2.306 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)nc1 ZINC000414923457 386607319 /nfs/dbraw/zinc/60/73/19/386607319.db2.gz FGLYRWIHHRDRGG-CQSZACIVSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335496263 386618701 /nfs/dbraw/zinc/61/87/01/386618701.db2.gz OZBXLAHKEIYSLY-CHWSQXEVSA-N 2 2 233.359 2.183 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000414819773 386660063 /nfs/dbraw/zinc/66/00/63/386660063.db2.gz ZPBOFUJLFGKGOT-OAHLLOKOSA-N 3 2 249.402 2.430 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000124621148 386663315 /nfs/dbraw/zinc/66/33/15/386663315.db2.gz OPAQBSGWCMAKPP-NSHDSACASA-N 2 2 226.270 2.157 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000124621148 386663319 /nfs/dbraw/zinc/66/33/19/386663319.db2.gz OPAQBSGWCMAKPP-NSHDSACASA-N 2 2 226.270 2.157 20 0 BEADLP CCC[C@@]1([NH2+]CC[NH+]2CCCCC2)CCOC1 ZINC000352835677 386682407 /nfs/dbraw/zinc/68/24/07/386682407.db2.gz ZJVJUYYWRSPTRC-CQSZACIVSA-N 2 2 240.391 2.021 20 0 BEADLP CCOc1c(Cl)cccc1C[NH2+][C@H](C)C[NH3+] ZINC000414926796 386674658 /nfs/dbraw/zinc/67/46/58/386674658.db2.gz KYBONDKQQKNMBT-SECBINFHSA-N 2 2 242.750 2.176 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)nc1 ZINC000414824485 386683323 /nfs/dbraw/zinc/68/33/23/386683323.db2.gz AODASPLGASVRCS-OAHLLOKOSA-N 2 2 241.338 2.180 20 0 BEADLP Cc1ccc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414927062 386688651 /nfs/dbraw/zinc/68/86/51/386688651.db2.gz LUJSCSZBFXYRDN-ZFWWWQNUSA-N 2 2 232.371 2.391 20 0 BEADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC1 ZINC000414827690 386694206 /nfs/dbraw/zinc/69/42/06/386694206.db2.gz HODQITRIMSXFMP-FZMZJTMJSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC1 ZINC000414827691 386695448 /nfs/dbraw/zinc/69/54/48/386695448.db2.gz HODQITRIMSXFMP-RISCZKNCSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414828307 386699178 /nfs/dbraw/zinc/69/91/78/386699178.db2.gz IPRNNWZJEBTTLE-FZMZJTMJSA-N 2 2 218.344 2.465 20 0 BEADLP CCOCc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327129 386705903 /nfs/dbraw/zinc/70/59/03/386705903.db2.gz ZBAUKWFVNRTPDT-OAHLLOKOSA-N 2 2 248.370 2.065 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@@H](C[NH3+])CC(C)C)s1 ZINC000414833438 386714261 /nfs/dbraw/zinc/71/42/61/386714261.db2.gz FRSICFSWKZPUFH-LLVKDONJSA-N 2 2 241.404 2.223 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccccn1)C1CCCCC1 ZINC000414833430 386714390 /nfs/dbraw/zinc/71/43/90/386714390.db2.gz FRDLIQNRYXYCEM-CQSZACIVSA-N 2 2 233.359 2.079 20 0 BEADLP CC[N@H+](CCNc1[nH]c2ccccc2[nH+]1)C(C)C ZINC000357234084 386745085 /nfs/dbraw/zinc/74/50/85/386745085.db2.gz GIRFAFHSSJINSN-UHFFFAOYSA-N 2 2 246.358 2.127 20 0 BEADLP CC[N@@H+](CCNc1[nH]c2ccccc2[nH+]1)C(C)C ZINC000357234084 386745088 /nfs/dbraw/zinc/74/50/88/386745088.db2.gz GIRFAFHSSJINSN-UHFFFAOYSA-N 2 2 246.358 2.127 20 0 BEADLP CCCc1csc(C[NH2+]C[C@H](C)C[NH2+]C)n1 ZINC000414839675 386746366 /nfs/dbraw/zinc/74/63/66/386746366.db2.gz MGSBVRTXFTWQQD-SNVBAGLBSA-N 2 2 241.404 2.041 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000414842158 386747650 /nfs/dbraw/zinc/74/76/50/386747650.db2.gz NYAQLWVCQCWKEC-NSHDSACASA-N 2 2 242.313 2.428 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000394957603 386759406 /nfs/dbraw/zinc/75/94/06/386759406.db2.gz BYPXECMSKFILMK-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000394957603 386759410 /nfs/dbraw/zinc/75/94/10/386759410.db2.gz BYPXECMSKFILMK-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844293 386762499 /nfs/dbraw/zinc/76/24/99/386762499.db2.gz KQRQCORUNAWQFZ-CQSZACIVSA-N 2 2 248.370 2.099 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000020247163 386792006 /nfs/dbraw/zinc/79/20/06/386792006.db2.gz ROKFNJVWCBKKEO-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000020247163 386792012 /nfs/dbraw/zinc/79/20/12/386792012.db2.gz ROKFNJVWCBKKEO-AWEZNQCLSA-N 2 2 241.338 2.158 20 0 BEADLP Cc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000414845501 386800042 /nfs/dbraw/zinc/80/00/42/386800042.db2.gz MBEBZORJXQKTOJ-CQSZACIVSA-N 2 2 218.344 2.145 20 0 BEADLP C[NH+](C)CC1([NH2+]C[C@H]2CC=CCC2)CCC1 ZINC000336761703 386801020 /nfs/dbraw/zinc/80/10/20/386801020.db2.gz KPAHSXZREAPUSD-ZDUSSCGKSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1cc(C)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414935700 386811431 /nfs/dbraw/zinc/81/14/31/386811431.db2.gz UOSCNURYOUSKJC-DZGCQCFKSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccncc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000280644580 386831311 /nfs/dbraw/zinc/83/13/11/386831311.db2.gz YNHOMGLJFFAINV-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ccncc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000280644580 386831318 /nfs/dbraw/zinc/83/13/18/386831318.db2.gz YNHOMGLJFFAINV-UHFFFAOYSA-N 2 2 247.386 2.308 20 0 BEADLP Cc1ccc2c(C)cc(NCC[NH+](C)C)[nH+]c2c1 ZINC000339961935 386841198 /nfs/dbraw/zinc/84/11/98/386841198.db2.gz MWZBULGHXZIMLH-UHFFFAOYSA-N 2 2 243.354 2.247 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(C)c1C ZINC000414937086 386841828 /nfs/dbraw/zinc/84/18/28/386841828.db2.gz CEYYDAZQMYTNEP-GFCCVEGCSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cnc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000341146367 386846377 /nfs/dbraw/zinc/84/63/77/386846377.db2.gz PUZPBFBADRTPIU-LBPRGKRZSA-N 2 2 248.330 2.263 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000341146367 386846389 /nfs/dbraw/zinc/84/63/89/386846389.db2.gz PUZPBFBADRTPIU-LBPRGKRZSA-N 2 2 248.330 2.263 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358082977 386891346 /nfs/dbraw/zinc/89/13/46/386891346.db2.gz OPZRPGHNQJLYFM-GXTWGEPZSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358082977 386891348 /nfs/dbraw/zinc/89/13/48/386891348.db2.gz OPZRPGHNQJLYFM-GXTWGEPZSA-N 2 2 248.370 2.125 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425343416 386856576 /nfs/dbraw/zinc/85/65/76/386856576.db2.gz IFXNJAQUKNRXJE-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425343416 386856579 /nfs/dbraw/zinc/85/65/79/386856579.db2.gz IFXNJAQUKNRXJE-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000414938928 386867178 /nfs/dbraw/zinc/86/71/78/386867178.db2.gz WLMVBKQGUSHQKX-SWLSCSKDSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1nc(NCC[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000301712913 386871284 /nfs/dbraw/zinc/87/12/84/386871284.db2.gz YSAFFMMVXLYZNO-UHFFFAOYSA-N 2 2 248.374 2.300 20 0 BEADLP CC(C)COc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414941104 386889358 /nfs/dbraw/zinc/88/93/58/386889358.db2.gz IHGZJKRGFMRHBV-LBPRGKRZSA-N 2 2 236.359 2.158 20 0 BEADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1CCOC1 ZINC000358234399 386916690 /nfs/dbraw/zinc/91/66/90/386916690.db2.gz WZJLQJPCAAYPJW-GJZGRUSLSA-N 2 2 248.370 2.337 20 0 BEADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCOC1 ZINC000358234400 386917339 /nfs/dbraw/zinc/91/73/39/386917339.db2.gz WZJLQJPCAAYPJW-HUUCEWRRSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000334863327 386917577 /nfs/dbraw/zinc/91/75/77/386917577.db2.gz MNXIHINERDDGFP-TZMCWYRMSA-N 2 2 218.344 2.083 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000335770868 386917582 /nfs/dbraw/zinc/91/75/82/386917582.db2.gz ZPGOQINHMILJLX-ZYHUDNBSSA-N 2 2 219.332 2.245 20 0 BEADLP Cc1cc(NCc2cn3ccccc3[nH+]2)cc[nH+]1 ZINC000358149201 386900611 /nfs/dbraw/zinc/90/06/11/386900611.db2.gz KXGRZQJOGDOKJY-UHFFFAOYSA-N 2 2 238.294 2.072 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358168175 386904805 /nfs/dbraw/zinc/90/48/05/386904805.db2.gz ZQRNBJLTSCFVOH-DZGCQCFKSA-N 2 2 232.371 2.077 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358168175 386904807 /nfs/dbraw/zinc/90/48/07/386904807.db2.gz ZQRNBJLTSCFVOH-DZGCQCFKSA-N 2 2 232.371 2.077 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CS1 ZINC000334854880 386907445 /nfs/dbraw/zinc/90/74/45/386907445.db2.gz VFMPNNRVCGBQRM-WDEREUQCSA-N 2 2 247.367 2.318 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000425351649 386961245 /nfs/dbraw/zinc/96/12/45/386961245.db2.gz MECHPFIEYDXOKN-CHWSQXEVSA-N 2 2 236.384 2.416 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000425355341 386965326 /nfs/dbraw/zinc/96/53/26/386965326.db2.gz LBGOFVAXWMIJNA-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000425355341 386965328 /nfs/dbraw/zinc/96/53/28/386965328.db2.gz LBGOFVAXWMIJNA-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000425356320 386968299 /nfs/dbraw/zinc/96/82/99/386968299.db2.gz MDZCIWJGZDEOFX-MROQNXINSA-N 2 2 240.416 2.097 20 0 BEADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000425356320 386968302 /nfs/dbraw/zinc/96/83/02/386968302.db2.gz MDZCIWJGZDEOFX-MROQNXINSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)CC(C)(C)C ZINC000395193125 386981437 /nfs/dbraw/zinc/98/14/37/386981437.db2.gz XILWUZICEVIMJP-UPJWGTAASA-N 2 2 242.407 2.168 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccsc2)CC1 ZINC000334966809 387049433 /nfs/dbraw/zinc/04/94/33/387049433.db2.gz GTXXASMFPTWELU-JTQLQIEISA-N 2 2 224.373 2.275 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000126818025 387057093 /nfs/dbraw/zinc/05/70/93/387057093.db2.gz NXTFQYOMJFYCBF-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000126818025 387057100 /nfs/dbraw/zinc/05/71/00/387057100.db2.gz NXTFQYOMJFYCBF-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000053201255 387020895 /nfs/dbraw/zinc/02/08/95/387020895.db2.gz LMEJTGYJXSDGSM-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000053201255 387020899 /nfs/dbraw/zinc/02/08/99/387020899.db2.gz LMEJTGYJXSDGSM-OCCSQVGLSA-N 2 2 218.344 2.431 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000418057891 387078823 /nfs/dbraw/zinc/07/88/23/387078823.db2.gz NRAUVGQVHHFGDN-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000418057891 387078827 /nfs/dbraw/zinc/07/88/27/387078827.db2.gz NRAUVGQVHHFGDN-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000070733715 387091181 /nfs/dbraw/zinc/09/11/81/387091181.db2.gz SLJUSNAABOMVFC-QWRGUYRKSA-N 2 2 239.388 2.102 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1nccs1 ZINC000070733459 387091464 /nfs/dbraw/zinc/09/14/64/387091464.db2.gz ZEIKLGWDURLBIL-SNVBAGLBSA-N 2 2 239.388 2.455 20 0 BEADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000335026389 387117940 /nfs/dbraw/zinc/11/79/40/387117940.db2.gz ZVPXVOOSACPFSF-NEPJUHHUSA-N 2 2 208.305 2.029 20 0 BEADLP COCC[NH2+]CC[NH2+]CCCC1CCCCC1 ZINC000228737466 387124897 /nfs/dbraw/zinc/12/48/97/387124897.db2.gz NEPFTDSFGVKRFO-UHFFFAOYSA-N 2 2 242.407 2.173 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423312208 387148519 /nfs/dbraw/zinc/14/85/19/387148519.db2.gz CUMKJVJELVQBOG-GZMMTYOYSA-N 2 2 239.750 2.123 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1F ZINC000423312824 387152561 /nfs/dbraw/zinc/15/25/61/387152561.db2.gz DTPYXASVJZSIPQ-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322135114 387153818 /nfs/dbraw/zinc/15/38/18/387153818.db2.gz FRNZOBNZGSLJQA-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322135114 387153821 /nfs/dbraw/zinc/15/38/21/387153821.db2.gz FRNZOBNZGSLJQA-LOWDOPEQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423314383 387154028 /nfs/dbraw/zinc/15/40/28/387154028.db2.gz GXLUWDZIDTTXFJ-OQPBUACISA-N 2 2 240.297 2.353 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2occc21 ZINC000423314888 387154488 /nfs/dbraw/zinc/15/44/88/387154488.db2.gz WSMKKDHRGFZLFC-LBPRGKRZSA-N 2 2 222.332 2.246 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccn1 ZINC000423315463 387156486 /nfs/dbraw/zinc/15/64/86/387156486.db2.gz ITOSWWDQZGSLOP-QWHCGFSZSA-N 2 2 233.359 2.250 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130040 387158588 /nfs/dbraw/zinc/15/85/88/387158588.db2.gz UDHRSEZGBDALHC-QWHCGFSZSA-N 2 2 224.392 2.449 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130040 387158593 /nfs/dbraw/zinc/15/85/93/387158593.db2.gz UDHRSEZGBDALHC-QWHCGFSZSA-N 2 2 224.392 2.449 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130037 387159687 /nfs/dbraw/zinc/15/96/87/387159687.db2.gz UDHRSEZGBDALHC-CHWSQXEVSA-N 2 2 224.392 2.449 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418130037 387159693 /nfs/dbraw/zinc/15/96/93/387159693.db2.gz UDHRSEZGBDALHC-CHWSQXEVSA-N 2 2 224.392 2.449 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000423322733 387164061 /nfs/dbraw/zinc/16/40/61/387164061.db2.gz GRSYZNNDZZDWOK-ZIAGYGMSSA-N 2 2 242.407 2.027 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423328829 387171963 /nfs/dbraw/zinc/17/19/63/387171963.db2.gz SMPACDBIMVKHNT-PSASIEDQSA-N 2 2 240.372 2.145 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423329310 387172758 /nfs/dbraw/zinc/17/27/58/387172758.db2.gz OUVYOUMNVOWDRD-VIFPVBQESA-N 2 2 240.372 2.289 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423328860 387173321 /nfs/dbraw/zinc/17/33/21/387173321.db2.gz SMPACDBIMVKHNT-SCZZXKLOSA-N 2 2 240.372 2.145 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423331637 387176379 /nfs/dbraw/zinc/17/63/79/387176379.db2.gz USEPXWIRVHFYHX-RISCZKNCSA-N 2 2 248.370 2.392 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423331998 387177972 /nfs/dbraw/zinc/17/79/72/387177972.db2.gz QREGDJYKCRBXFO-SFYZADRCSA-N 2 2 230.714 2.477 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000423334569 387179955 /nfs/dbraw/zinc/17/99/55/387179955.db2.gz WSBSDZZNBHXTAP-MFKMUULPSA-N 2 2 233.359 2.032 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423301466 387134790 /nfs/dbraw/zinc/13/47/90/387134790.db2.gz TVEKAFJFEKTAMZ-GXFFZTMASA-N 2 2 239.338 2.389 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccncc1F ZINC000423304329 387140302 /nfs/dbraw/zinc/14/03/02/387140302.db2.gz YJLCKZVDLRTAKR-QWRGUYRKSA-N 2 2 239.338 2.389 20 0 BEADLP CC(C)c1nc([C@@H](C)[NH2+]CC2C[NH2+]C2)cs1 ZINC000423304672 387140597 /nfs/dbraw/zinc/14/05/97/387140597.db2.gz OQYUPLSPRFRUKU-SECBINFHSA-N 2 2 239.388 2.137 20 0 BEADLP COC[C@@H](C)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353443526 387203114 /nfs/dbraw/zinc/20/31/14/387203114.db2.gz CWNPAAHNDZUEDO-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP COC[C@@H](C)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353443526 387203119 /nfs/dbraw/zinc/20/31/19/387203119.db2.gz CWNPAAHNDZUEDO-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423353754 387204913 /nfs/dbraw/zinc/20/49/13/387204913.db2.gz CEOKEVXADIWSPT-ONERCXAPSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000571914994 387205271 /nfs/dbraw/zinc/20/52/71/387205271.db2.gz ABFQACDHMQYXNC-LSDHHAIUSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423353756 387205867 /nfs/dbraw/zinc/20/58/67/387205867.db2.gz CEOKEVXADIWSPT-WKPIXPDZSA-N 2 2 248.345 2.401 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1Cl ZINC000162027910 387209680 /nfs/dbraw/zinc/20/96/80/387209680.db2.gz MYUXOUOGAVHZJB-VIFPVBQESA-N 2 2 212.724 2.085 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)o1 ZINC000423357925 387211222 /nfs/dbraw/zinc/21/12/22/387211222.db2.gz IZSZTSNDKZSDBW-ADEWGFFLSA-N 2 2 222.332 2.237 20 0 BEADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccncc1 ZINC000423363289 387215381 /nfs/dbraw/zinc/21/53/81/387215381.db2.gz NWFNCGSCNBHPCP-FPMFFAJLSA-N 2 2 233.359 2.120 20 0 BEADLP Cc1ccnc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000353523971 387220604 /nfs/dbraw/zinc/22/06/04/387220604.db2.gz VFZYTAPMCDJNOV-CHWSQXEVSA-N 2 2 235.375 2.381 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423368337 387221402 /nfs/dbraw/zinc/22/14/02/387221402.db2.gz RVQMFBBTBOJFLJ-DYEKYZERSA-N 2 2 248.370 2.344 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000572012409 387221590 /nfs/dbraw/zinc/22/15/90/387221590.db2.gz ZKRQKZOHQYAYPG-OCCSQVGLSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1[C@H](C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000572012409 387221603 /nfs/dbraw/zinc/22/16/03/387221603.db2.gz ZKRQKZOHQYAYPG-OCCSQVGLSA-N 2 2 235.375 2.473 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423368339 387221680 /nfs/dbraw/zinc/22/16/80/387221680.db2.gz RVQMFBBTBOJFLJ-MBNYWOFBSA-N 2 2 248.370 2.344 20 0 BEADLP Cc1ccoc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336395314 387223106 /nfs/dbraw/zinc/22/31/06/387223106.db2.gz OCURJNVYXLGEDM-GFCCVEGCSA-N 2 2 245.326 2.311 20 0 BEADLP Cc1ccoc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000336395314 387223110 /nfs/dbraw/zinc/22/31/10/387223110.db2.gz OCURJNVYXLGEDM-GFCCVEGCSA-N 2 2 245.326 2.311 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423371793 387226251 /nfs/dbraw/zinc/22/62/51/387226251.db2.gz FTVVYPXFLNWGNY-MNOVXSKESA-N 2 2 222.332 2.041 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(O)c1 ZINC000423371903 387227294 /nfs/dbraw/zinc/22/72/94/387227294.db2.gz VLLDMKDOSXSSOQ-MJVIPROJSA-N 2 2 234.343 2.041 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(O)c1 ZINC000423371905 387227521 /nfs/dbraw/zinc/22/75/21/387227521.db2.gz VLLDMKDOSXSSOQ-UHIISALHSA-N 2 2 234.343 2.041 20 0 BEADLP COCC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000423325376 387228497 /nfs/dbraw/zinc/22/84/97/387228497.db2.gz IOUXACXUCGLRHI-ZIAGYGMSSA-N 2 2 242.407 2.027 20 0 BEADLP C[NH+](C)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000120353715 387232846 /nfs/dbraw/zinc/23/28/46/387232846.db2.gz HEIZGXGSTDYRSF-UHFFFAOYSA-N 2 2 236.334 2.352 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120410668 387244687 /nfs/dbraw/zinc/24/46/87/387244687.db2.gz AAFKHHWQKNURSX-NWDGAFQWSA-N 2 2 222.376 2.391 20 0 BEADLP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120410668 387244689 /nfs/dbraw/zinc/24/46/89/387244689.db2.gz AAFKHHWQKNURSX-NWDGAFQWSA-N 2 2 222.376 2.391 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC12CC2 ZINC000572135912 387246869 /nfs/dbraw/zinc/24/68/69/387246869.db2.gz PTGRXEIVBYKHGT-CYBMUJFWSA-N 2 2 222.376 2.395 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH+]1 ZINC000353650642 387248062 /nfs/dbraw/zinc/24/80/62/387248062.db2.gz AGOBHDACSADJLH-GASCZTMLSA-N 2 2 246.354 2.186 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c[nH+]1 ZINC000353650642 387248063 /nfs/dbraw/zinc/24/80/63/387248063.db2.gz AGOBHDACSADJLH-GASCZTMLSA-N 2 2 246.354 2.186 20 0 BEADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)s1 ZINC000423423278 387250284 /nfs/dbraw/zinc/25/02/84/387250284.db2.gz DTZKPQJMBDZBDB-LITAXDCLSA-N 2 2 242.775 2.270 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CCC[C@@](C)(O)C2)c[nH+]1 ZINC000353657609 387251243 /nfs/dbraw/zinc/25/12/43/387251243.db2.gz HCXIXFODAUWKMA-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@H+]2CCC[C@@](C)(O)C2)c[nH+]1 ZINC000353657609 387251246 /nfs/dbraw/zinc/25/12/46/387251246.db2.gz HCXIXFODAUWKMA-OAHLLOKOSA-N 2 2 248.370 2.169 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CC1CCCCC1)CC2 ZINC000336420858 387251436 /nfs/dbraw/zinc/25/14/36/387251436.db2.gz MHRLYAYMWGBQBQ-ZDUSSCGKSA-N 2 2 233.359 2.368 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])CC ZINC000423467018 387314175 /nfs/dbraw/zinc/31/41/75/387314175.db2.gz NWGJREJJOMWYDV-NEPJUHHUSA-N 2 2 236.359 2.473 20 0 BEADLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2ccccc2o1 ZINC000423428082 387254078 /nfs/dbraw/zinc/25/40/78/387254078.db2.gz JALUJBWYHGOTBG-NYMYIZQJSA-N 2 2 242.322 2.301 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423375270 387257857 /nfs/dbraw/zinc/25/78/57/387257857.db2.gz XTTORSWNKQVHNY-SGMGOOAPSA-N 2 2 233.359 2.039 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423378793 387259079 /nfs/dbraw/zinc/25/90/79/387259079.db2.gz ZXLNMEQNBHEEKL-OBJOEFQTSA-N 2 2 233.359 2.039 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423378279 387260392 /nfs/dbraw/zinc/26/03/92/387260392.db2.gz KSGSBPFOQMTQCM-QMTHXVAHSA-N 2 2 236.334 2.401 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000423382861 387265343 /nfs/dbraw/zinc/26/53/43/387265343.db2.gz OTFAGQONOMZYGL-VXGBXAGGSA-N 2 2 238.379 2.113 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000423383386 387266553 /nfs/dbraw/zinc/26/65/53/387266553.db2.gz PPBXZIBBOHFLOR-RWMBFGLXSA-N 2 2 233.359 2.181 20 0 BEADLP COCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000230647798 387269710 /nfs/dbraw/zinc/26/97/10/387269710.db2.gz PQQVNJIXXJSRKR-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP COCc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000230647798 387269715 /nfs/dbraw/zinc/26/97/15/387269715.db2.gz PQQVNJIXXJSRKR-OAHLLOKOSA-N 2 2 248.370 2.017 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cs1 ZINC000423388947 387273986 /nfs/dbraw/zinc/27/39/86/387273986.db2.gz UOZCXCHRYLAFBX-WCABBAIRSA-N 2 2 239.388 2.243 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000336446158 387275362 /nfs/dbraw/zinc/27/53/62/387275362.db2.gz YMFHQNGMISKHOX-LLVKDONJSA-N 2 2 247.367 2.471 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000336446158 387275366 /nfs/dbraw/zinc/27/53/66/387275366.db2.gz YMFHQNGMISKHOX-LLVKDONJSA-N 2 2 247.367 2.471 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC000423394064 387278264 /nfs/dbraw/zinc/27/82/64/387278264.db2.gz ZKEWIHAHUOQIQF-VXGBXAGGSA-N 2 2 206.333 2.335 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC2(C)C)C[N@@H+]1C1CC1 ZINC000231632278 387278901 /nfs/dbraw/zinc/27/89/01/387278901.db2.gz ZPPJEAQLTUJHEU-WOPDTQHZSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC2(C)C)C[N@H+]1C1CC1 ZINC000231632278 387278903 /nfs/dbraw/zinc/27/89/03/387278903.db2.gz ZPPJEAQLTUJHEU-WOPDTQHZSA-N 2 2 222.376 2.247 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC12CC2 ZINC000514735092 387281275 /nfs/dbraw/zinc/28/12/75/387281275.db2.gz VLSPRLKEXSGYDG-LLVKDONJSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H](C)[NH2+]C)c1ccccc1OC ZINC000423394161 387282120 /nfs/dbraw/zinc/28/21/20/387282120.db2.gz PXWORPKKFCMBCU-DGCLKSJQSA-N 2 2 236.359 2.344 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])o1 ZINC000423440312 387290903 /nfs/dbraw/zinc/29/09/03/387290903.db2.gz IMRLTDQGNXKVEE-GUBZILKMSA-N 2 2 210.321 2.228 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000423439541 387290914 /nfs/dbraw/zinc/29/09/14/387290914.db2.gz ADTPMUWRDORRGD-UFBFGSQYSA-N 2 2 240.297 2.279 20 0 BEADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423443233 387292409 /nfs/dbraw/zinc/29/24/09/387292409.db2.gz VODGIOKXKGVJIN-KZVDOYCCSA-N 2 2 246.354 2.101 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000423449734 387296445 /nfs/dbraw/zinc/29/64/45/387296445.db2.gz RYPZBCATFMEACU-VWYCJHECSA-N 2 2 221.348 2.030 20 0 BEADLP Cc1ccc(CCC[NH2+]C2CCC(O)CC2)c[nH+]1 ZINC000353926896 387299776 /nfs/dbraw/zinc/29/97/76/387299776.db2.gz HJCISUCHBIRNCK-UHFFFAOYSA-N 2 2 248.370 2.216 20 0 BEADLP CCC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccn1 ZINC000423452751 387300563 /nfs/dbraw/zinc/30/05/63/387300563.db2.gz WUYOHACLFJFBMU-LOWVWBTDSA-N 2 2 221.348 2.248 20 0 BEADLP CCc1cccc(F)c1C[NH2+]CCn1cc[nH+]c1 ZINC000353940125 387301421 /nfs/dbraw/zinc/30/14/21/387301421.db2.gz AUAKSTUXUHAPPJ-UHFFFAOYSA-N 2 2 247.317 2.374 20 0 BEADLP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000643499890 387303365 /nfs/dbraw/zinc/30/33/65/387303365.db2.gz ZPDJTNMAQQUDLX-GJZGRUSLSA-N 2 2 230.355 2.479 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C)oc1C ZINC000423456120 387304225 /nfs/dbraw/zinc/30/42/25/387304225.db2.gz DFCRTGHBDWSUPG-KOLCDFICSA-N 2 2 210.321 2.284 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502121 387356778 /nfs/dbraw/zinc/35/67/78/387356778.db2.gz XPDXETRAQIAVGM-OCCSQVGLSA-N 2 2 247.386 2.437 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648584068 387359239 /nfs/dbraw/zinc/35/92/39/387359239.db2.gz JRQNDRDPLCLFHR-XJKSGUPXSA-N 2 2 246.398 2.474 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000423533932 387361004 /nfs/dbraw/zinc/36/10/04/387361004.db2.gz UTTKTCDUHSVQJP-PWSUYJOCSA-N 2 2 222.332 2.448 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000515308748 387362545 /nfs/dbraw/zinc/36/25/45/387362545.db2.gz YQSXEMVKGBSRDU-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H]1C[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000515308748 387362548 /nfs/dbraw/zinc/36/25/48/387362548.db2.gz YQSXEMVKGBSRDU-QWHCGFSZSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000515308749 387363055 /nfs/dbraw/zinc/36/30/55/387363055.db2.gz YQSXEMVKGBSRDU-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000515308749 387363059 /nfs/dbraw/zinc/36/30/59/387363059.db2.gz YQSXEMVKGBSRDU-STQMWFEESA-N 2 2 235.375 2.473 20 0 BEADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502751 387363669 /nfs/dbraw/zinc/36/36/69/387363669.db2.gz PEIKVSAZAPMUHF-KGLIPLIRSA-N 2 2 245.370 2.191 20 0 BEADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)on1 ZINC000336552192 387373121 /nfs/dbraw/zinc/37/31/21/387373121.db2.gz HRCTYQIJUPXICT-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)on1 ZINC000336552192 387373127 /nfs/dbraw/zinc/37/31/27/387373127.db2.gz HRCTYQIJUPXICT-UHFFFAOYSA-N 2 2 246.314 2.086 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423567931 387377537 /nfs/dbraw/zinc/37/75/37/387377537.db2.gz VKFDNZOFQZRLHT-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP Cc1cc(N)cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000423476625 387323492 /nfs/dbraw/zinc/32/34/92/387323492.db2.gz KRQYGXOZEKJRDL-SWLSCSKDSA-N 2 2 247.386 2.197 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000515050170 387333823 /nfs/dbraw/zinc/33/38/23/387333823.db2.gz DSSOYXITKKEFLX-SMDDNHRTSA-N 2 2 233.359 2.291 20 0 BEADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000515050170 387333828 /nfs/dbraw/zinc/33/38/28/387333828.db2.gz DSSOYXITKKEFLX-SMDDNHRTSA-N 2 2 233.359 2.291 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000309805231 387343792 /nfs/dbraw/zinc/34/37/92/387343792.db2.gz RZQZBFHRVDTBAH-PWSUYJOCSA-N 2 2 220.360 2.144 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000309805231 387343793 /nfs/dbraw/zinc/34/37/93/387343793.db2.gz RZQZBFHRVDTBAH-PWSUYJOCSA-N 2 2 220.360 2.144 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000515171271 387344279 /nfs/dbraw/zinc/34/42/79/387344279.db2.gz NCPYTFIAQIOCFZ-AAEUAGOBSA-N 2 2 248.374 2.234 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000515171271 387344282 /nfs/dbraw/zinc/34/42/82/387344282.db2.gz NCPYTFIAQIOCFZ-AAEUAGOBSA-N 2 2 248.374 2.234 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(C)cc1 ZINC000423520963 387352779 /nfs/dbraw/zinc/35/27/79/387352779.db2.gz KUDFTFGTCNKWDE-LSDHHAIUSA-N 2 2 248.370 2.024 20 0 BEADLP c1cn(CCSc2[nH+]cc3ccccn32)c[nH+]1 ZINC000121864413 387423663 /nfs/dbraw/zinc/42/36/63/387423663.db2.gz NMVNLMZFTLOXMM-UHFFFAOYSA-N 2 2 244.323 2.323 20 0 BEADLP C[Si](C)(C)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197060 387430118 /nfs/dbraw/zinc/43/01/18/387430118.db2.gz ASUBNQNLCJDJHG-UHFFFAOYSA-N 2 2 237.423 2.467 20 0 BEADLP CCSCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210497 387433311 /nfs/dbraw/zinc/43/33/11/387433311.db2.gz VIYBCHWIGYKAHT-UHFFFAOYSA-N 2 2 239.388 2.342 20 0 BEADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCC[N@@H+]1C ZINC000306328382 387447415 /nfs/dbraw/zinc/44/74/15/387447415.db2.gz NIJPXCLERMPTQK-GXTWGEPZSA-N 2 2 218.344 2.259 20 0 BEADLP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCC[N@H+]1C ZINC000306328382 387447423 /nfs/dbraw/zinc/44/74/23/387447423.db2.gz NIJPXCLERMPTQK-GXTWGEPZSA-N 2 2 218.344 2.259 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000361400772 387454782 /nfs/dbraw/zinc/45/47/82/387454782.db2.gz RNLBIWDXYJOHDW-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000361400772 387454787 /nfs/dbraw/zinc/45/47/87/387454787.db2.gz RNLBIWDXYJOHDW-UONOGXRCSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cscn1 ZINC000643503372 387390880 /nfs/dbraw/zinc/39/08/80/387390880.db2.gz HXXWRCDOMOPIKQ-GARJFASQSA-N 2 2 239.388 2.182 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000336565703 387392017 /nfs/dbraw/zinc/39/20/17/387392017.db2.gz RIPQMFVFXCBMIU-JQWIXIFHSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000336565703 387392023 /nfs/dbraw/zinc/39/20/23/387392023.db2.gz RIPQMFVFXCBMIU-JQWIXIFHSA-N 2 2 242.326 2.013 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CC2 ZINC000643506333 387460109 /nfs/dbraw/zinc/46/01/09/387460109.db2.gz SELWOVWGLCKGIJ-OAHLLOKOSA-N 2 2 246.354 2.024 20 0 BEADLP Cc1ccc(CCC[NH2+]C(C)(C)[C@@H](C)O)c[nH+]1 ZINC000354562706 387395482 /nfs/dbraw/zinc/39/54/82/387395482.db2.gz GVGCMYGNOHBEIU-GFCCVEGCSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1ccc2c(c1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000336571100 387395617 /nfs/dbraw/zinc/39/56/17/387395617.db2.gz SJHUDEVSGLVVIJ-UHFFFAOYSA-N 2 2 241.338 2.250 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H]([C@H](C)O)C2)c[nH+]1 ZINC000354639915 387408794 /nfs/dbraw/zinc/40/87/94/387408794.db2.gz UFKQCHIUKFEJKL-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H]([C@H](C)O)C2)c[nH+]1 ZINC000354639915 387408800 /nfs/dbraw/zinc/40/88/00/387408800.db2.gz UFKQCHIUKFEJKL-DZGCQCFKSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@H]([C@H](C)O)C2)c[nH+]1 ZINC000354639919 387409389 /nfs/dbraw/zinc/40/93/89/387409389.db2.gz UFKQCHIUKFEJKL-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@H]([C@H](C)O)C2)c[nH+]1 ZINC000354639919 387409396 /nfs/dbraw/zinc/40/93/96/387409396.db2.gz UFKQCHIUKFEJKL-ZFWWWQNUSA-N 2 2 248.370 2.025 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000361230606 387419475 /nfs/dbraw/zinc/41/94/75/387419475.db2.gz PUIZFQNYVKSUTO-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000361230606 387419481 /nfs/dbraw/zinc/41/94/81/387419481.db2.gz PUIZFQNYVKSUTO-UPJWGTAASA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccncn1 ZINC000396060875 387532453 /nfs/dbraw/zinc/53/24/53/387532453.db2.gz XLTRFTUFOFAYPW-ZDUSSCGKSA-N 2 2 248.374 2.003 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cn1 ZINC000397032444 387534302 /nfs/dbraw/zinc/53/43/02/387534302.db2.gz MAEIELLXYRULBR-HIFRSBDPSA-N 2 2 247.386 2.319 20 0 BEADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C(C)(C)C ZINC000122476339 387534529 /nfs/dbraw/zinc/53/45/29/387534529.db2.gz CYXIGMPGBPFLET-DGCLKSJQSA-N 2 2 244.448 2.448 20 0 BEADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC000122473297 387534948 /nfs/dbraw/zinc/53/49/48/387534948.db2.gz LCZXJPPCMQHCLU-OLZOCXBDSA-N 2 2 244.448 2.448 20 0 BEADLP C[C@H]1CC[N@@H+](CC2(F)CC2)C[C@H]1n1cc[nH+]c1 ZINC000527220055 387535114 /nfs/dbraw/zinc/53/51/14/387535114.db2.gz RQXBENSFSZHNFW-NWDGAFQWSA-N 2 2 237.322 2.268 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000643506228 387465261 /nfs/dbraw/zinc/46/52/61/387465261.db2.gz PDBCPLLLZMNSGD-SNVBAGLBSA-N 2 2 222.307 2.228 20 0 BEADLP CC[N@H+](CCCn1cc[nH+]c1)CCC1CC1 ZINC000355060276 387473152 /nfs/dbraw/zinc/47/31/52/387473152.db2.gz HWAZJCGSGIKPRX-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC[N@@H+](CCCn1cc[nH+]c1)CCC1CC1 ZINC000355060276 387473155 /nfs/dbraw/zinc/47/31/55/387473155.db2.gz HWAZJCGSGIKPRX-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC[NH2+]C2CC2)cs1 ZINC000643508216 387482574 /nfs/dbraw/zinc/48/25/74/387482574.db2.gz UELGCDJAEBHQQE-JTQLQIEISA-N 2 2 224.373 2.459 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCOC[C@H]2C)c[nH+]1 ZINC000355120526 387483647 /nfs/dbraw/zinc/48/36/47/387483647.db2.gz KBLNHAVWSHBRNH-DOMZBBRYSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1occc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000643472274 387485947 /nfs/dbraw/zinc/48/59/47/387485947.db2.gz PZUMPIBRKGBXEV-SECBINFHSA-N 2 2 231.299 2.246 20 0 BEADLP CO[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000355142386 387486519 /nfs/dbraw/zinc/48/65/19/387486519.db2.gz XZODDLWADMNTCZ-HUUCEWRRSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@@H+]1C1CC1 ZINC000355171268 387492046 /nfs/dbraw/zinc/49/20/46/387492046.db2.gz WTJFSBHKIJBACK-ZJUUUORDSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)F)CC2)C[N@H+]1C1CC1 ZINC000355171268 387492055 /nfs/dbraw/zinc/49/20/55/387492055.db2.gz WTJFSBHKIJBACK-ZJUUUORDSA-N 2 2 244.329 2.247 20 0 BEADLP c1cn(CC[NH2+]C2C3CC4CC(C3)CC2C4)c[nH+]1 ZINC000041063674 387588413 /nfs/dbraw/zinc/58/84/13/387588413.db2.gz KYOGRGPMNXUFMP-UHFFFAOYSA-N 2 2 245.370 2.297 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528759244 387592940 /nfs/dbraw/zinc/59/29/40/387592940.db2.gz NIXRSQFNWFSGRH-XFMPKHEZSA-N 2 2 248.370 2.334 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c(C)s1 ZINC000643513128 387596155 /nfs/dbraw/zinc/59/61/55/387596155.db2.gz KTASWLZMKSNGEV-SSDOTTSWSA-N 2 2 227.377 2.148 20 0 BEADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000430546700 387626644 /nfs/dbraw/zinc/62/66/44/387626644.db2.gz JUHOWVDDBSWYPG-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000430546700 387626649 /nfs/dbraw/zinc/62/66/49/387626649.db2.gz JUHOWVDDBSWYPG-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H](F)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375709433 387571063 /nfs/dbraw/zinc/57/10/63/387571063.db2.gz FSNRGOOUQURZGO-JTQLQIEISA-N 2 2 225.311 2.337 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000527536223 387630421 /nfs/dbraw/zinc/63/04/21/387630421.db2.gz UQINICOHSJVESR-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccn1 ZINC000527536223 387630427 /nfs/dbraw/zinc/63/04/27/387630427.db2.gz UQINICOHSJVESR-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccn1 ZINC000527536223 387630430 /nfs/dbraw/zinc/63/04/30/387630430.db2.gz UQINICOHSJVESR-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccn1 ZINC000527536223 387630435 /nfs/dbraw/zinc/63/04/35/387630435.db2.gz UQINICOHSJVESR-HIFRSBDPSA-N 2 2 247.386 2.305 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000430593105 387631733 /nfs/dbraw/zinc/63/17/33/387631733.db2.gz DDPJCMFQLQAVTR-RDBSUJKOSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000430593105 387631738 /nfs/dbraw/zinc/63/17/38/387631738.db2.gz DDPJCMFQLQAVTR-RDBSUJKOSA-N 2 2 240.391 2.005 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422738496 387645449 /nfs/dbraw/zinc/64/54/49/387645449.db2.gz JKPQBGQYOIVSRB-TZMCWYRMSA-N 2 2 248.370 2.315 20 0 BEADLP Cc1nc([C@@H](C)[NH2+]CC2([NH3+])CCC2)c(C)s1 ZINC000643517818 387650867 /nfs/dbraw/zinc/65/08/67/387650867.db2.gz DDQNRIWGEDHXPY-MRVPVSSYSA-N 2 2 239.388 2.292 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646204 387651701 /nfs/dbraw/zinc/65/17/01/387651701.db2.gz SOQBVKOWGUYFNC-ZZVYKPCYSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646204 387651706 /nfs/dbraw/zinc/65/17/06/387651706.db2.gz SOQBVKOWGUYFNC-ZZVYKPCYSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646200 387652014 /nfs/dbraw/zinc/65/20/14/387652014.db2.gz SOQBVKOWGUYFNC-PYJNHQTQSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527646200 387652020 /nfs/dbraw/zinc/65/20/20/387652020.db2.gz SOQBVKOWGUYFNC-PYJNHQTQSA-N 2 2 222.376 2.105 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1ccc(F)cc1Cl ZINC000149357534 387652343 /nfs/dbraw/zinc/65/23/43/387652343.db2.gz BRZZKLUISXZTBV-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1ccc(F)cc1Cl ZINC000149357534 387652348 /nfs/dbraw/zinc/65/23/48/387652348.db2.gz BRZZKLUISXZTBV-UHFFFAOYSA-N 2 2 230.714 2.260 20 0 BEADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccco1 ZINC000422747935 387652598 /nfs/dbraw/zinc/65/25/98/387652598.db2.gz RFADLXGOFYVZLI-WFASDCNBSA-N 2 2 244.338 2.328 20 0 BEADLP COC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C(C)C ZINC000126345416 387678973 /nfs/dbraw/zinc/67/89/73/387678973.db2.gz LVXTXOGQFYCFAO-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C(C)C ZINC000126345915 387679944 /nfs/dbraw/zinc/67/99/44/387679944.db2.gz LVXTXOGQFYCFAO-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1C ZINC000527736083 387682731 /nfs/dbraw/zinc/68/27/31/387682731.db2.gz PZMKZBZPVYMLHB-UPJWGTAASA-N 2 2 233.359 2.254 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1(C)CC1 ZINC000163521608 387696379 /nfs/dbraw/zinc/69/63/79/387696379.db2.gz UOAMVTWVHOHPHO-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1(C)CC1 ZINC000163521608 387696387 /nfs/dbraw/zinc/69/63/87/387696387.db2.gz UOAMVTWVHOHPHO-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000527694799 387686367 /nfs/dbraw/zinc/68/63/67/387686367.db2.gz KYGFRFWNGDLPPO-SAXRGWBVSA-N 2 2 245.370 2.222 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527697577 387686626 /nfs/dbraw/zinc/68/66/26/387686626.db2.gz SLPDUCIZSPXLFL-UBHSHLNASA-N 2 2 236.403 2.495 20 0 BEADLP CCOc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000422788059 387687793 /nfs/dbraw/zinc/68/77/93/387687793.db2.gz VDTZVXQKUBRKFI-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP CC[C@H](F)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000440778422 387691851 /nfs/dbraw/zinc/69/18/51/387691851.db2.gz KLRXMEBZWWABLY-NSHDSACASA-N 2 2 225.311 2.268 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440778016 387692124 /nfs/dbraw/zinc/69/21/24/387692124.db2.gz JJEGEIDIOXWUPG-WDEREUQCSA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@@H](F)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000440778016 387692131 /nfs/dbraw/zinc/69/21/31/387692131.db2.gz JJEGEIDIOXWUPG-WDEREUQCSA-N 2 2 225.311 2.337 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422871754 387749170 /nfs/dbraw/zinc/74/91/70/387749170.db2.gz DMRYJHSBNBCHCZ-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CC12CC2 ZINC000527844558 387752567 /nfs/dbraw/zinc/75/25/67/387752567.db2.gz GRIWKLULXQZAPG-QWHCGFSZSA-N 2 2 222.376 2.251 20 0 BEADLP CCO[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000452008625 387697990 /nfs/dbraw/zinc/69/79/90/387697990.db2.gz AFRSZYZOAPGCCG-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000422798869 387698435 /nfs/dbraw/zinc/69/84/35/387698435.db2.gz TXKWLQJGVNDMDA-FZMZJTMJSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@H](F)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000440792221 387701314 /nfs/dbraw/zinc/70/13/14/387701314.db2.gz ROIQGJDPMWYPRK-SDDRHHMPSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000440792221 387701319 /nfs/dbraw/zinc/70/13/19/387701319.db2.gz ROIQGJDPMWYPRK-SDDRHHMPSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000440792221 387701323 /nfs/dbraw/zinc/70/13/23/387701323.db2.gz ROIQGJDPMWYPRK-SDDRHHMPSA-N 2 2 216.344 2.149 20 0 BEADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000440792221 387701325 /nfs/dbraw/zinc/70/13/25/387701325.db2.gz ROIQGJDPMWYPRK-SDDRHHMPSA-N 2 2 216.344 2.149 20 0 BEADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422806960 387705480 /nfs/dbraw/zinc/70/54/80/387705480.db2.gz JDADAZKPMFIQKT-CABCVRRESA-N 2 2 230.355 2.398 20 0 BEADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000422838681 387729778 /nfs/dbraw/zinc/72/97/78/387729778.db2.gz OWOUIVITGBYOOL-UEKVPHQBSA-N 2 2 248.345 2.401 20 0 BEADLP c1cncc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527808104 387730888 /nfs/dbraw/zinc/73/08/88/387730888.db2.gz QCNSENYQFOKQCT-OAHLLOKOSA-N 2 2 245.370 2.188 20 0 BEADLP c1cncc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527808104 387730895 /nfs/dbraw/zinc/73/08/95/387730895.db2.gz QCNSENYQFOKQCT-OAHLLOKOSA-N 2 2 245.370 2.188 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])s1 ZINC000643528434 387769030 /nfs/dbraw/zinc/76/90/30/387769030.db2.gz JBKPCTIVMYTGMK-SFYZADRCSA-N 2 2 227.377 2.012 20 0 BEADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])s1 ZINC000643528432 387769889 /nfs/dbraw/zinc/76/98/89/387769889.db2.gz JBKPCTIVMYTGMK-HTQZYQBOSA-N 2 2 227.377 2.012 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000643528148 387775073 /nfs/dbraw/zinc/77/50/73/387775073.db2.gz DOSFVHSSNJDQQQ-BDAKNGLRSA-N 2 2 239.388 2.020 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH3+])CCCO2 ZINC000643529339 387777546 /nfs/dbraw/zinc/77/75/46/387777546.db2.gz YUBFEXNHQSQNFV-AAEUAGOBSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC12CC2 ZINC000527897101 387778508 /nfs/dbraw/zinc/77/85/08/387778508.db2.gz ZJOZYAVPFARDBU-RYUDHWBXSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)[C@@H]1CCC[NH2+]1 ZINC000422979448 387788887 /nfs/dbraw/zinc/78/88/87/387788887.db2.gz MUMGGMWOKDOREE-DDTOSNHZSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000422979773 387791666 /nfs/dbraw/zinc/79/16/66/387791666.db2.gz KEJMSEDSGMIEDH-RYUDHWBXSA-N 2 2 248.374 2.220 20 0 BEADLP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050243286 387794797 /nfs/dbraw/zinc/79/47/97/387794797.db2.gz QPAPEMFUDBQEAT-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000050243286 387794803 /nfs/dbraw/zinc/79/48/03/387794803.db2.gz QPAPEMFUDBQEAT-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1CCC[NH2+]1 ZINC000422963783 387813237 /nfs/dbraw/zinc/81/32/37/387813237.db2.gz JMENSHMWYWTCNZ-KGYLQXTDSA-N 2 2 234.343 2.387 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@H+](C)C1CC1 ZINC000527857950 387758695 /nfs/dbraw/zinc/75/86/95/387758695.db2.gz FUUJPKAAPVQUPO-GVXVVHGQSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)[N@@H+](C)C1CC1 ZINC000527857950 387758700 /nfs/dbraw/zinc/75/87/00/387758700.db2.gz FUUJPKAAPVQUPO-GVXVVHGQSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000643526914 387761476 /nfs/dbraw/zinc/76/14/76/387761476.db2.gz HLJTXXBYKDRGSP-BQBZGAKWSA-N 2 2 218.753 2.399 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014391 387823408 /nfs/dbraw/zinc/82/34/08/387823408.db2.gz VAZLNNIPFWSSRT-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014391 387823414 /nfs/dbraw/zinc/82/34/14/387823414.db2.gz VAZLNNIPFWSSRT-YRGRVCCFSA-N 2 2 240.391 2.016 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000423008291 387831167 /nfs/dbraw/zinc/83/11/67/387831167.db2.gz ZSQJWHDQTXLPNM-SWLSCSKDSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423014108 387836356 /nfs/dbraw/zinc/83/63/56/387836356.db2.gz OHNPXPQKGPCWDU-GJZGRUSLSA-N 3 2 247.386 2.040 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000643537516 387873403 /nfs/dbraw/zinc/87/34/03/387873403.db2.gz KRNRRCIFQGJBBL-YDHLFZDLSA-N 2 2 248.345 2.272 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815904 387847427 /nfs/dbraw/zinc/84/74/27/387847427.db2.gz HWIYYTZPYNVMQP-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815904 387847432 /nfs/dbraw/zinc/84/74/32/387847432.db2.gz HWIYYTZPYNVMQP-AWEZNQCLSA-N 2 2 248.370 2.139 20 0 BEADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423044450 387856127 /nfs/dbraw/zinc/85/61/27/387856127.db2.gz ANVYXTOULOYTLW-OPRDCNLKSA-N 2 2 238.297 2.305 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000643536479 387867182 /nfs/dbraw/zinc/86/71/82/387867182.db2.gz RRRWWKMYDRHYIN-KCQAQPDRSA-N 2 2 248.345 2.354 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H](C)CCC[NH3+])C(F)(F)F ZINC000423066684 387869238 /nfs/dbraw/zinc/86/92/38/387869238.db2.gz FGNVNZCNCOZVSF-IUCAKERBSA-N 2 2 226.286 2.290 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309520406 387814565 /nfs/dbraw/zinc/81/45/65/387814565.db2.gz ZXMTUFPOHADOER-MRVWCRGKSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000309520406 387814569 /nfs/dbraw/zinc/81/45/69/387814569.db2.gz ZXMTUFPOHADOER-MRVWCRGKSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCc2occc21)[C@H]1CCC[NH2+]1 ZINC000422963785 387814909 /nfs/dbraw/zinc/81/49/09/387814909.db2.gz JMENSHMWYWTCNZ-RTXFEEFZSA-N 2 2 234.343 2.387 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@H]1C[C@H]1C ZINC000322055421 387872744 /nfs/dbraw/zinc/87/27/44/387872744.db2.gz QBDWRMAYOKKBRU-XWUBHJNHSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@H]1C[C@H]1C ZINC000322055421 387872748 /nfs/dbraw/zinc/87/27/48/387872748.db2.gz QBDWRMAYOKKBRU-XWUBHJNHSA-N 2 2 224.392 2.493 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)no1 ZINC000423105836 387890512 /nfs/dbraw/zinc/89/05/12/387890512.db2.gz CMNXUPQMUQHDQV-WOPDTQHZSA-N 2 2 237.347 2.022 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@H]1C[C@H]1C ZINC000322107729 387894934 /nfs/dbraw/zinc/89/49/34/387894934.db2.gz ZTEQMDQJHHIUIL-AGIUHOORSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@H]1C[C@H]1C ZINC000322107729 387894937 /nfs/dbraw/zinc/89/49/37/387894937.db2.gz ZTEQMDQJHHIUIL-AGIUHOORSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@@H]1C[C@H]1C ZINC000322107731 387895628 /nfs/dbraw/zinc/89/56/28/387895628.db2.gz ZTEQMDQJHHIUIL-UPJWGTAASA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@@H]1C[C@H]1C ZINC000322107731 387895632 /nfs/dbraw/zinc/89/56/32/387895632.db2.gz ZTEQMDQJHHIUIL-UPJWGTAASA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCC[C@H]1C ZINC000643538387 387876364 /nfs/dbraw/zinc/87/63/64/387876364.db2.gz JBPFMFCQPQLNME-IKOXMDCHSA-N 2 2 242.382 2.491 20 0 BEADLP CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCC1 ZINC000322486759 387876820 /nfs/dbraw/zinc/87/68/20/387876820.db2.gz WPPMPORJUZEKMX-WCQYABFASA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000643538272 387878194 /nfs/dbraw/zinc/87/81/94/387878194.db2.gz DJURRCDCUVPNLW-FQUUOJAGSA-N 2 2 242.382 2.491 20 0 BEADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c(C)s1 ZINC000643539866 387881292 /nfs/dbraw/zinc/88/12/92/387881292.db2.gz IUQYOWSMXHHVAD-CSMHCCOUSA-N 2 2 227.377 2.146 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424175974 387884248 /nfs/dbraw/zinc/88/42/48/387884248.db2.gz RKKDVZTXOAXCLS-CYUUQNCZSA-N 2 2 236.403 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424175974 387884251 /nfs/dbraw/zinc/88/42/51/387884251.db2.gz RKKDVZTXOAXCLS-CYUUQNCZSA-N 2 2 236.403 2.352 20 0 BEADLP C[C@@H](CCC[NH3+])[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000423133146 387909918 /nfs/dbraw/zinc/90/99/18/387909918.db2.gz VNVMJSQBDKZATO-CBAPKCEASA-N 2 2 224.270 2.044 20 0 BEADLP CC[C@H]([NH2+]Cc1cnc(C)cc1C)[C@@H]1CCC[NH2+]1 ZINC000423156021 387935439 /nfs/dbraw/zinc/93/54/39/387935439.db2.gz LVUXQTGZQJXGFE-GJZGRUSLSA-N 2 2 247.386 2.319 20 0 BEADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000321079968 387942864 /nfs/dbraw/zinc/94/28/64/387942864.db2.gz LOAMOXLAUXNXMX-NDBYEHHHSA-N 2 2 221.348 2.296 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173036 387960856 /nfs/dbraw/zinc/96/08/56/387960856.db2.gz WRPYSHABGRTBPP-OBCWZRDOSA-N 2 2 248.345 2.269 20 0 BEADLP CC(C)CC[C@H]([NH2+]CC[NH3+])c1ccoc1 ZINC000423179089 387965097 /nfs/dbraw/zinc/96/50/97/387965097.db2.gz GWUQDJAUUATSMX-LBPRGKRZSA-N 2 2 210.321 2.305 20 0 BEADLP CSc1ccccc1[C@H](C)[NH2+]CC[NH3+] ZINC000423190453 387975707 /nfs/dbraw/zinc/97/57/07/387975707.db2.gz SHOKHZWZUKZBMU-VIFPVBQESA-N 2 2 210.346 2.018 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000423190633 387976283 /nfs/dbraw/zinc/97/62/83/387976283.db2.gz REWKKXVNIAYQCV-OLZOCXBDSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000423190632 387976904 /nfs/dbraw/zinc/97/69/04/387976904.db2.gz REWKKXVNIAYQCV-CHWSQXEVSA-N 2 2 248.370 2.406 20 0 BEADLP C[C@@H](C[NH2+]C1CCc2ccccc2CC1)[NH+](C)C ZINC000453116662 387987643 /nfs/dbraw/zinc/98/76/43/387987643.db2.gz YDDMKTQEFBRIJY-ZDUSSCGKSA-N 2 2 246.398 2.474 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(C)ccc1OC ZINC000423201728 387988475 /nfs/dbraw/zinc/98/84/75/387988475.db2.gz JFBCVKRFYOQKIR-JSGCOSHPSA-N 2 2 248.370 2.406 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000423209611 387993757 /nfs/dbraw/zinc/99/37/57/387993757.db2.gz VHKFBMOYRQDBSK-GAJTVXKRSA-N 2 2 234.318 2.011 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000453097950 387984408 /nfs/dbraw/zinc/98/44/08/387984408.db2.gz WTLRORMOJMHPIC-JSGCOSHPSA-N 2 2 244.342 2.408 20 0 BEADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCCC1)[NH+](C)C ZINC000453107570 387986289 /nfs/dbraw/zinc/98/62/89/387986289.db2.gz LIQLHYFIYABCSP-FZMZJTMJSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424374971 387999520 /nfs/dbraw/zinc/99/95/20/387999520.db2.gz ZZBMJVASMAUHEV-ZIAGYGMSSA-N 2 2 236.334 2.494 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423222289 388002412 /nfs/dbraw/zinc/00/24/12/388002412.db2.gz AMFAMIIIKSZDBN-CYBMUJFWSA-N 2 2 222.307 2.086 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423222101 388002584 /nfs/dbraw/zinc/00/25/84/388002584.db2.gz ZRVRZFMNICRMQJ-IAQYHMDHSA-N 2 2 245.370 2.407 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423222101 388002585 /nfs/dbraw/zinc/00/25/85/388002585.db2.gz ZRVRZFMNICRMQJ-IAQYHMDHSA-N 2 2 245.370 2.407 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(F)cc1 ZINC000423222337 388002641 /nfs/dbraw/zinc/00/26/41/388002641.db2.gz APMCOGAISZFFMI-GFCCVEGCSA-N 2 2 210.296 2.086 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000423222960 388004124 /nfs/dbraw/zinc/00/41/24/388004124.db2.gz DJENDOXTNIWCMV-CQSZACIVSA-N 2 2 218.344 2.263 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000423224392 388005990 /nfs/dbraw/zinc/00/59/90/388005990.db2.gz IWEFDXJDAFHJRU-LBPRGKRZSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000423225458 388008070 /nfs/dbraw/zinc/00/80/70/388008070.db2.gz MWPDGABBVGDSDL-JTQLQIEISA-N 2 2 248.326 2.311 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423226736 388010656 /nfs/dbraw/zinc/01/06/56/388010656.db2.gz SAQOGXABGWWVMO-SECBINFHSA-N 2 2 212.724 2.210 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000423227240 388010774 /nfs/dbraw/zinc/01/07/74/388010774.db2.gz VASQBKBGUHSMDH-LLVKDONJSA-N 2 2 218.344 2.045 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1sccc1OC ZINC000423239988 388024860 /nfs/dbraw/zinc/02/48/60/388024860.db2.gz GNTPRJVIKAAIHQ-VIFPVBQESA-N 2 2 228.361 2.017 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000423240523 388024959 /nfs/dbraw/zinc/02/49/59/388024959.db2.gz HJVRUNZYYAPTFG-GFCCVEGCSA-N 2 2 232.371 2.435 20 0 BEADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(C)cc1 ZINC000423227624 388011302 /nfs/dbraw/zinc/01/13/02/388011302.db2.gz WLCLBOVZYWEXEH-CYBMUJFWSA-N 2 2 206.333 2.255 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](C1CC1)C1CCC1)CC2 ZINC000453209244 388011610 /nfs/dbraw/zinc/01/16/10/388011610.db2.gz ZCPPMQXIIZKIGU-HIFRSBDPSA-N 2 2 245.370 2.366 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423227475 388012093 /nfs/dbraw/zinc/01/20/93/388012093.db2.gz VYMAMUDEVPONCY-SMDDNHRTSA-N 2 2 218.344 2.037 20 0 BEADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230157 388015276 /nfs/dbraw/zinc/01/52/76/388015276.db2.gz CTGJHLLFPIAQSF-OLZOCXBDSA-N 2 2 248.370 2.488 20 0 BEADLP CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423229105 388015728 /nfs/dbraw/zinc/01/57/28/388015728.db2.gz AHKSAJJTVAGYRT-ZIAGYGMSSA-N 2 2 233.359 2.264 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423230458 388015769 /nfs/dbraw/zinc/01/57/69/388015769.db2.gz DQJCZOGMLVCXIJ-ABAIWWIYSA-N 2 2 246.354 2.119 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(F)cc(F)c1 ZINC000423229242 388015887 /nfs/dbraw/zinc/01/58/87/388015887.db2.gz ALBXAXKNLYPXQL-NOZJJQNGSA-N 2 2 240.297 2.367 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000423235538 388019140 /nfs/dbraw/zinc/01/91/40/388019140.db2.gz NHCJQVFIXBKQFB-STQMWFEESA-N 2 2 248.370 2.406 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423234913 388019292 /nfs/dbraw/zinc/01/92/92/388019292.db2.gz MNLLCQDXCWVINK-RISCZKNCSA-N 2 2 218.344 2.434 20 0 BEADLP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400543184 388021131 /nfs/dbraw/zinc/02/11/31/388021131.db2.gz VIAWNGYVWCSGDJ-WFASDCNBSA-N 2 2 248.370 2.315 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423237373 388021087 /nfs/dbraw/zinc/02/10/87/388021087.db2.gz DCAWLXHPPBQDJU-LLVKDONJSA-N 2 2 218.344 2.434 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423235787 388021313 /nfs/dbraw/zinc/02/13/13/388021313.db2.gz BGABMXBSWZTZRI-KGLIPLIRSA-N 2 2 248.370 2.042 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423235848 388021472 /nfs/dbraw/zinc/02/14/72/388021472.db2.gz BLLOLEVVNDNBPY-MWLCHTKSSA-N 2 2 224.373 2.496 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423239942 388022502 /nfs/dbraw/zinc/02/25/02/388022502.db2.gz GJZWJGYXXQXNKM-GFCCVEGCSA-N 2 2 236.359 2.492 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423238095 388022627 /nfs/dbraw/zinc/02/26/27/388022627.db2.gz FAYIRKMMTGITCM-AWEZNQCLSA-N 2 2 218.344 2.181 20 0 BEADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1CCOC1 ZINC000423250047 388032090 /nfs/dbraw/zinc/03/20/90/388032090.db2.gz UJLDLAKRUMSHRC-KKUMJFAQSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccncc1 ZINC000423252297 388032905 /nfs/dbraw/zinc/03/29/05/388032905.db2.gz XJZHNYYDTCBJCR-IUODEOHRSA-N 2 2 241.338 2.432 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccs1 ZINC000423250544 388033761 /nfs/dbraw/zinc/03/37/61/388033761.db2.gz UIDWITDBGYZLDW-JTQLQIEISA-N 2 2 212.362 2.398 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000423251811 388034014 /nfs/dbraw/zinc/03/40/14/388034014.db2.gz WYNWLRYEQJIPMH-GFCCVEGCSA-N 2 2 236.359 2.345 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423258784 388037883 /nfs/dbraw/zinc/03/78/83/388037883.db2.gz CJJJXEFSUWOTTP-STQMWFEESA-N 2 2 235.375 2.414 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccncc1F ZINC000423262034 388041131 /nfs/dbraw/zinc/04/11/31/388041131.db2.gz LNCCBZMLHOLBHJ-MNOVXSKESA-N 2 2 239.338 2.245 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1F ZINC000423264613 388041423 /nfs/dbraw/zinc/04/14/23/388041423.db2.gz AJMSGUSMPHYJGO-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)oc1C ZINC000423265519 388043962 /nfs/dbraw/zinc/04/39/62/388043962.db2.gz BCIXLXFAFIBFLS-SKDRFNHKSA-N 2 2 222.332 2.284 20 0 BEADLP CCC[C@H]([NH2+]CC[NH2+]CC)c1cccnc1 ZINC000423247383 388029559 /nfs/dbraw/zinc/02/95/59/388029559.db2.gz PAIJCXJLOPETKW-ZDUSSCGKSA-N 2 2 221.348 2.122 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271924 388051521 /nfs/dbraw/zinc/05/15/21/388051521.db2.gz HRHBVLJECYABOS-WPRPVWTQSA-N 2 2 240.372 2.145 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423271395 388052041 /nfs/dbraw/zinc/05/20/41/388052041.db2.gz HIVRMUAUEAWXOE-PELKAZGASA-N 2 2 239.750 2.123 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(F)c1F ZINC000423272728 388053539 /nfs/dbraw/zinc/05/35/39/388053539.db2.gz IJTNEBXFDQJTLA-UFBFGSQYSA-N 2 2 240.297 2.353 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)c(F)c1 ZINC000423274689 388055400 /nfs/dbraw/zinc/05/54/00/388055400.db2.gz KUAAPSKHRKGADI-AMIZOPFISA-N 2 2 240.297 2.353 20 0 BEADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276222 388056445 /nfs/dbraw/zinc/05/64/45/388056445.db2.gz MTHKXZVMFZAQHO-MFKMUULPSA-N 2 2 233.359 2.032 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423276221 388056623 /nfs/dbraw/zinc/05/66/23/388056623.db2.gz MTHKXZVMFZAQHO-GXFFZTMASA-N 2 2 233.359 2.032 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423276220 388057354 /nfs/dbraw/zinc/05/73/54/388057354.db2.gz MTHKXZVMFZAQHO-GWCFXTLKSA-N 2 2 233.359 2.032 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423284172 388066775 /nfs/dbraw/zinc/06/67/75/388066775.db2.gz WLOHJEQKSBPBOH-FZMZJTMJSA-N 2 2 248.370 2.392 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453385416 388067000 /nfs/dbraw/zinc/06/70/00/388067000.db2.gz AWFAROBQKGWLPU-GVXVVHGQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453385416 388067006 /nfs/dbraw/zinc/06/70/06/388067006.db2.gz AWFAROBQKGWLPU-GVXVVHGQSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CSCCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336657469 388069550 /nfs/dbraw/zinc/06/95/50/388069550.db2.gz IKJUCHPETLUFQP-OLZOCXBDSA-N 2 2 244.448 2.305 20 0 BEADLP CC(C)CSCCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336657469 388069554 /nfs/dbraw/zinc/06/95/54/388069554.db2.gz IKJUCHPETLUFQP-OLZOCXBDSA-N 2 2 244.448 2.305 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)cc(F)c1 ZINC000423289330 388074051 /nfs/dbraw/zinc/07/40/51/388074051.db2.gz WUFJVSDDSUIURE-MRVPVSSYSA-N 2 2 228.286 2.353 20 0 BEADLP CCn1ccnc1[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423289449 388074903 /nfs/dbraw/zinc/07/49/03/388074903.db2.gz AWIFDRHIWBUSJA-LLVKDONJSA-N 2 2 238.379 2.071 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000447592002 388080548 /nfs/dbraw/zinc/08/05/48/388080548.db2.gz JPVJGHBZTWEZLO-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000447592002 388080550 /nfs/dbraw/zinc/08/05/50/388080550.db2.gz JPVJGHBZTWEZLO-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@@H]1C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)CCO1 ZINC000453624206 388094527 /nfs/dbraw/zinc/09/45/27/388094527.db2.gz PRFDQQZIAVKLPL-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086727113 388108056 /nfs/dbraw/zinc/10/80/56/388108056.db2.gz TVEWPQPMTZPYOO-CMPLNLGQSA-N 2 2 236.384 2.421 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000423267301 388045879 /nfs/dbraw/zinc/04/58/79/388045879.db2.gz FEGIWSPQBSTBLA-MWLCHTKSSA-N 2 2 241.766 2.369 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCc2occc21 ZINC000423270665 388049036 /nfs/dbraw/zinc/04/90/36/388049036.db2.gz IIUGXNASPBGAMX-NEPJUHHUSA-N 2 2 222.332 2.230 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccn1 ZINC000423270239 388049889 /nfs/dbraw/zinc/04/98/89/388049889.db2.gz HXOWKOWKQBXLJK-CHWSQXEVSA-N 2 2 235.375 2.496 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453336195 388050275 /nfs/dbraw/zinc/05/02/75/388050275.db2.gz AWFAROBQKGWLPU-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000453336195 388050276 /nfs/dbraw/zinc/05/02/76/388050276.db2.gz AWFAROBQKGWLPU-DMDPSCGWSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H](CO)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000449379137 388187573 /nfs/dbraw/zinc/18/75/73/388187573.db2.gz ZNXCBTGKOKQNAG-AWEZNQCLSA-N 2 2 236.359 2.025 20 0 BEADLP CC[C@@H](CO)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000449379137 388187574 /nfs/dbraw/zinc/18/75/74/388187574.db2.gz ZNXCBTGKOKQNAG-AWEZNQCLSA-N 2 2 236.359 2.025 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449338533 388176239 /nfs/dbraw/zinc/17/62/39/388176239.db2.gz SHGHUSXTTTVMNZ-JQWIXIFHSA-N 2 2 245.326 2.081 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449338533 388176241 /nfs/dbraw/zinc/17/62/41/388176241.db2.gz SHGHUSXTTTVMNZ-JQWIXIFHSA-N 2 2 245.326 2.081 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000449351290 388178956 /nfs/dbraw/zinc/17/89/56/388178956.db2.gz OCVMXBAGNKHPII-MNOVXSKESA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC(C)(F)F)C1 ZINC000449351290 388178959 /nfs/dbraw/zinc/17/89/59/388178959.db2.gz OCVMXBAGNKHPII-MNOVXSKESA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000449374639 388185785 /nfs/dbraw/zinc/18/57/85/388185785.db2.gz BHCRHVPRIUHSPK-OCCSQVGLSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000449374639 388185787 /nfs/dbraw/zinc/18/57/87/388185787.db2.gz BHCRHVPRIUHSPK-OCCSQVGLSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449061508 388137199 /nfs/dbraw/zinc/13/71/99/388137199.db2.gz VTQHJOAKRCYMIK-JSGCOSHPSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449061508 388137201 /nfs/dbraw/zinc/13/72/01/388137201.db2.gz VTQHJOAKRCYMIK-JSGCOSHPSA-N 2 2 236.359 2.285 20 0 BEADLP CC[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)[NH+]1CCCC1 ZINC000449078020 388137318 /nfs/dbraw/zinc/13/73/18/388137318.db2.gz TVCNPCDSNSZGSE-YNEHKIRRSA-N 2 2 242.432 2.202 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CSC[C@H]1C ZINC000449148857 388149253 /nfs/dbraw/zinc/14/92/53/388149253.db2.gz VESJCLGKZAHHAT-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CSC[C@H]1C ZINC000449148857 388149254 /nfs/dbraw/zinc/14/92/54/388149254.db2.gz VESJCLGKZAHHAT-NEPJUHHUSA-N 2 2 230.421 2.059 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646129302 388150161 /nfs/dbraw/zinc/15/01/61/388150161.db2.gz PBQJBGZILNCXOT-STQMWFEESA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000646129302 388150163 /nfs/dbraw/zinc/15/01/63/388150163.db2.gz PBQJBGZILNCXOT-STQMWFEESA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646129299 388150208 /nfs/dbraw/zinc/15/02/08/388150208.db2.gz PBQJBGZILNCXOT-CHWSQXEVSA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000646129299 388150209 /nfs/dbraw/zinc/15/02/09/388150209.db2.gz PBQJBGZILNCXOT-CHWSQXEVSA-N 2 2 208.349 2.169 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449185571 388154997 /nfs/dbraw/zinc/15/49/97/388154997.db2.gz GNOPEBBFJPYRBS-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449185571 388154999 /nfs/dbraw/zinc/15/49/99/388154999.db2.gz GNOPEBBFJPYRBS-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165159932 388251160 /nfs/dbraw/zinc/25/11/60/388251160.db2.gz GLEBLLLYLRCBRB-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)C ZINC000165171567 388251415 /nfs/dbraw/zinc/25/14/15/388251415.db2.gz HRCMEZCUFUESGP-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449398630 388194191 /nfs/dbraw/zinc/19/41/91/388194191.db2.gz YKTBXJBXNFBSAH-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449398630 388194194 /nfs/dbraw/zinc/19/41/94/388194194.db2.gz YKTBXJBXNFBSAH-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398572 388194387 /nfs/dbraw/zinc/19/43/87/388194387.db2.gz VPDOMVXASDOHRR-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398572 388194388 /nfs/dbraw/zinc/19/43/88/388194388.db2.gz VPDOMVXASDOHRR-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313264493 256545596 /nfs/dbraw/zinc/54/55/96/256545596.db2.gz GCJZAGXYPPYHDK-GFCCVEGCSA-N 2 2 223.364 2.377 20 0 BEADLP C[N@H+](CCn1cc[nH+]c1)C1(C)CCCC1 ZINC000489843554 388225772 /nfs/dbraw/zinc/22/57/72/388225772.db2.gz KECVXSOUZYZEKU-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP C[N@@H+](CCn1cc[nH+]c1)C1(C)CCCC1 ZINC000489843554 388225774 /nfs/dbraw/zinc/22/57/74/388225774.db2.gz KECVXSOUZYZEKU-UHFFFAOYSA-N 2 2 207.321 2.148 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449552230 388230418 /nfs/dbraw/zinc/23/04/18/388230418.db2.gz IQGPXFMBFUTMNX-PAPYEOQZSA-N 2 2 236.403 2.351 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449552230 388230420 /nfs/dbraw/zinc/23/04/20/388230420.db2.gz IQGPXFMBFUTMNX-PAPYEOQZSA-N 2 2 236.403 2.351 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCc2sccc2[C@H]1C ZINC000251248551 388282915 /nfs/dbraw/zinc/28/29/15/388282915.db2.gz UYVBZSVVHNIBGP-DTWKUNHWSA-N 2 2 210.346 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCc2sccc2[C@H]1C ZINC000251248551 388282916 /nfs/dbraw/zinc/28/29/16/388282916.db2.gz UYVBZSVVHNIBGP-DTWKUNHWSA-N 2 2 210.346 2.014 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@H](C)C[NH3+])c(C)s1 ZINC000261529907 135156393 /nfs/dbraw/zinc/15/63/93/135156393.db2.gz BTBKNAHKBWMYCH-MRVPVSSYSA-N 2 2 212.362 2.144 20 0 BEADLP Cc1cc(C[N@H+](C)[C@H](C)C[NH3+])c(C)s1 ZINC000261529907 135156395 /nfs/dbraw/zinc/15/63/95/135156395.db2.gz BTBKNAHKBWMYCH-MRVPVSSYSA-N 2 2 212.362 2.144 20 0 BEADLP C[NH+](C)C1(C[NH2+]C[C@]2(C)CCCS2)CCC1 ZINC000327604933 388379353 /nfs/dbraw/zinc/37/93/53/388379353.db2.gz JLTADDLJLUMFJE-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1cccc(O)c1Cl ZINC000294004235 388394317 /nfs/dbraw/zinc/39/43/17/388394317.db2.gz GHRGQHAHQBTPLI-UHFFFAOYSA-N 2 2 242.750 2.087 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300788092 388394420 /nfs/dbraw/zinc/39/44/20/388394420.db2.gz BIUGLSWOCOWCEP-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300788092 388394422 /nfs/dbraw/zinc/39/44/22/388394422.db2.gz BIUGLSWOCOWCEP-GHMZBOCLSA-N 2 2 232.318 2.106 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C2CCOCC2)c[nH+]1 ZINC000525977704 388440801 /nfs/dbraw/zinc/44/08/01/388440801.db2.gz XEXFNBALAYHJTD-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C2CCOCC2)c[nH+]1 ZINC000525977704 388440803 /nfs/dbraw/zinc/44/08/03/388440803.db2.gz XEXFNBALAYHJTD-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)(C)C ZINC000336326563 388456276 /nfs/dbraw/zinc/45/62/76/388456276.db2.gz BLLBQDQRYHBCFH-UWVGGRQHSA-N 2 2 221.348 2.291 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)(C)C ZINC000336326563 388456277 /nfs/dbraw/zinc/45/62/77/388456277.db2.gz BLLBQDQRYHBCFH-UWVGGRQHSA-N 2 2 221.348 2.291 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336654510 388458760 /nfs/dbraw/zinc/45/87/60/388458760.db2.gz GTEHBCUEVRLZLR-WCQYABFASA-N 2 2 240.416 2.098 20 0 BEADLP C([NH2+][C@H]1CCSC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000336654510 388458763 /nfs/dbraw/zinc/45/87/63/388458763.db2.gz GTEHBCUEVRLZLR-WCQYABFASA-N 2 2 240.416 2.098 20 0 BEADLP COCC[N@H+](C)CC[NH2+]CC(C(C)C)C(C)C ZINC000310126163 388476609 /nfs/dbraw/zinc/47/66/09/388476609.db2.gz WSPNSBUKSDGHFY-UHFFFAOYSA-N 2 2 244.423 2.082 20 0 BEADLP COCC[N@@H+](C)CC[NH2+]CC(C(C)C)C(C)C ZINC000310126163 388476610 /nfs/dbraw/zinc/47/66/10/388476610.db2.gz WSPNSBUKSDGHFY-UHFFFAOYSA-N 2 2 244.423 2.082 20 0 BEADLP Clc1c[nH+]ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246120574 388439419 /nfs/dbraw/zinc/43/94/19/388439419.db2.gz DGISOTYSXMFLDO-JTQLQIEISA-N 2 2 237.734 2.019 20 0 BEADLP Clc1c[nH+]ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246120574 388439421 /nfs/dbraw/zinc/43/94/21/388439421.db2.gz DGISOTYSXMFLDO-JTQLQIEISA-N 2 2 237.734 2.019 20 0 BEADLP CC(C)C1([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000339509198 388483620 /nfs/dbraw/zinc/48/36/20/388483620.db2.gz NYKUPDLTOPUDPA-UHFFFAOYSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC ZINC000356333493 388548545 /nfs/dbraw/zinc/54/85/45/388548545.db2.gz LETYYIAMTXRHJY-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)OC ZINC000356333493 388548548 /nfs/dbraw/zinc/54/85/48/388548548.db2.gz LETYYIAMTXRHJY-OUCADQQQSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C[C@H]1C ZINC000397751302 388496603 /nfs/dbraw/zinc/49/66/03/388496603.db2.gz DPSGSBROKQMBEZ-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000397755509 388496743 /nfs/dbraw/zinc/49/67/43/388496743.db2.gz FXVUQFGHEWSPRI-LBPRGKRZSA-N 2 2 218.344 2.431 20 0 BEADLP COC1(C[NH2+]CC2([NH+](C)C)CC2)CCCCC1 ZINC000397877972 388508057 /nfs/dbraw/zinc/50/80/57/388508057.db2.gz IUQIIHSQCBJCTG-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1C[C@H]1C ZINC000397898106 388509996 /nfs/dbraw/zinc/50/99/96/388509996.db2.gz SARZNRGKTVYLSH-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C/C(Cl)=C\C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528430863 388523588 /nfs/dbraw/zinc/52/35/88/388523588.db2.gz XCVAZICBBQICNK-JNZVDCKRSA-N 2 2 239.750 2.352 20 0 BEADLP C/C(Cl)=C\C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528430863 388523589 /nfs/dbraw/zinc/52/35/89/388523589.db2.gz XCVAZICBBQICNK-JNZVDCKRSA-N 2 2 239.750 2.352 20 0 BEADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000516957833 388528827 /nfs/dbraw/zinc/52/88/27/388528827.db2.gz NUGKBNNCWLXLIC-AWEZNQCLSA-N 2 2 248.370 2.317 20 0 BEADLP c1cn(CCC[NH+]2CCCC2)c(C2CC2)[nH+]1 ZINC000530130443 388615166 /nfs/dbraw/zinc/61/51/66/388615166.db2.gz WBBIRVYCFFJEQC-UHFFFAOYSA-N 2 2 219.332 2.246 20 0 BEADLP C[C@H]1CC(F)(F)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000528765784 388568822 /nfs/dbraw/zinc/56/88/22/388568822.db2.gz FRDLUFXPTYAFCK-NSHDSACASA-N 2 2 243.301 2.393 20 0 BEADLP C[C@H]1CC(F)(F)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528765784 388568823 /nfs/dbraw/zinc/56/88/23/388568823.db2.gz FRDLUFXPTYAFCK-NSHDSACASA-N 2 2 243.301 2.393 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000184302860 388575668 /nfs/dbraw/zinc/57/56/68/388575668.db2.gz DDZJNWRVHPHAEK-GXTWGEPZSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000184302860 388575671 /nfs/dbraw/zinc/57/56/71/388575671.db2.gz DDZJNWRVHPHAEK-GXTWGEPZSA-N 2 2 233.359 2.135 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000224593783 388667735 /nfs/dbraw/zinc/66/77/35/388667735.db2.gz YIGLXOFCHRWTIB-RYUDHWBXSA-N 2 2 209.337 2.440 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)C ZINC000248120246 388674247 /nfs/dbraw/zinc/67/42/47/388674247.db2.gz NGSGKWJZYLBGOK-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)C ZINC000248120246 388674248 /nfs/dbraw/zinc/67/42/48/388674248.db2.gz NGSGKWJZYLBGOK-OLZOCXBDSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000083056186 388628731 /nfs/dbraw/zinc/62/87/31/388628731.db2.gz DYIKHJSAHONDAV-ZDUSSCGKSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ncccc1F ZINC000530221497 388632857 /nfs/dbraw/zinc/63/28/57/388632857.db2.gz FBFDUDLYXILONI-WDEREUQCSA-N 2 2 237.322 2.013 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncccc1Cl ZINC000530223861 388634111 /nfs/dbraw/zinc/63/41/11/388634111.db2.gz PXHCVOYFUJGIMV-VHSXEESVSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncccc1Cl ZINC000530223861 388634112 /nfs/dbraw/zinc/63/41/12/388634112.db2.gz PXHCVOYFUJGIMV-VHSXEESVSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncccc1Cl ZINC000530223863 388634438 /nfs/dbraw/zinc/63/44/38/388634438.db2.gz PXHCVOYFUJGIMV-ZJUUUORDSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncccc1Cl ZINC000530223863 388634440 /nfs/dbraw/zinc/63/44/40/388634440.db2.gz PXHCVOYFUJGIMV-ZJUUUORDSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ncccc1Cl ZINC000530223856 388634752 /nfs/dbraw/zinc/63/47/52/388634752.db2.gz PXHCVOYFUJGIMV-NXEZZACHSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ncccc1Cl ZINC000530223856 388634755 /nfs/dbraw/zinc/63/47/55/388634755.db2.gz PXHCVOYFUJGIMV-NXEZZACHSA-N 2 2 239.750 2.047 20 0 BEADLP COc1cccc([C@@H]2C[N@H+](CC[NH3+])CC2(C)C)c1 ZINC000530232315 388637068 /nfs/dbraw/zinc/63/70/68/388637068.db2.gz XXYDZZLWWJKYDD-AWEZNQCLSA-N 2 2 248.370 2.079 20 0 BEADLP COc1cccc([C@@H]2C[N@@H+](CC[NH3+])CC2(C)C)c1 ZINC000530232315 388637074 /nfs/dbraw/zinc/63/70/74/388637074.db2.gz XXYDZZLWWJKYDD-AWEZNQCLSA-N 2 2 248.370 2.079 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000247093473 388658504 /nfs/dbraw/zinc/65/85/04/388658504.db2.gz PNBXBKBHDRNGRS-SWLSCSKDSA-N 2 2 247.386 2.210 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000247093473 388658505 /nfs/dbraw/zinc/65/85/05/388658505.db2.gz PNBXBKBHDRNGRS-SWLSCSKDSA-N 2 2 247.386 2.210 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000539218656 388750159 /nfs/dbraw/zinc/75/01/59/388750159.db2.gz UKNDXUHMCYIIHB-SNPRPXQTSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000539218656 388750160 /nfs/dbraw/zinc/75/01/60/388750160.db2.gz UKNDXUHMCYIIHB-SNPRPXQTSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000539218658 388750513 /nfs/dbraw/zinc/75/05/13/388750513.db2.gz UKNDXUHMCYIIHB-VHDGCEQUSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000539218658 388750516 /nfs/dbraw/zinc/75/05/16/388750516.db2.gz UKNDXUHMCYIIHB-VHDGCEQUSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000248903457 388698523 /nfs/dbraw/zinc/69/85/23/388698523.db2.gz ZPCIUTGSVGNKDN-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000248903457 388698526 /nfs/dbraw/zinc/69/85/26/388698526.db2.gz ZPCIUTGSVGNKDN-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000126960802 388709977 /nfs/dbraw/zinc/70/99/77/388709977.db2.gz AAIKPHCGCPEFDW-UHFFFAOYSA-N 2 2 245.370 2.106 20 0 BEADLP Cn1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127722991 388729753 /nfs/dbraw/zinc/72/97/53/388729753.db2.gz LCGIDQAVUUTLCJ-UHFFFAOYSA-N 2 2 247.386 2.085 20 0 BEADLP COc1ccc[nH+]c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000127861403 388733380 /nfs/dbraw/zinc/73/33/80/388733380.db2.gz YJQOEKQESJALDX-LBPRGKRZSA-N 2 2 249.358 2.232 20 0 BEADLP COc1ccc[nH+]c1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000127861403 388733381 /nfs/dbraw/zinc/73/33/81/388733381.db2.gz YJQOEKQESJALDX-LBPRGKRZSA-N 2 2 249.358 2.232 20 0 BEADLP c1cn(CCCC[NH2+][C@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000554349041 388810128 /nfs/dbraw/zinc/81/01/28/388810128.db2.gz GQNHCMUERHJPEC-KGLIPLIRSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H]1C ZINC000252101920 388759790 /nfs/dbraw/zinc/75/97/90/388759790.db2.gz GJKRVHDTMGWFAZ-UTUOFQBUSA-N 2 2 207.321 2.050 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[NH+](C)C ZINC000227871504 388761593 /nfs/dbraw/zinc/76/15/93/388761593.db2.gz AKUZKVMUHNULSH-IACUBPJLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1CC1 ZINC000252712571 388774076 /nfs/dbraw/zinc/77/40/76/388774076.db2.gz MTEAFTDUOKWXHB-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1CC1 ZINC000252712571 388774079 /nfs/dbraw/zinc/77/40/79/388774079.db2.gz MTEAFTDUOKWXHB-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP COCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252848490 388787859 /nfs/dbraw/zinc/78/78/59/388787859.db2.gz HWGKRXSSTSHQMI-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252848490 388787862 /nfs/dbraw/zinc/78/78/62/388787862.db2.gz HWGKRXSSTSHQMI-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cn1)C[NH+](C)C ZINC000293616284 388855757 /nfs/dbraw/zinc/85/57/57/388855757.db2.gz JJUJGCBHDCXUJA-QWRGUYRKSA-N 2 2 239.338 2.069 20 0 BEADLP COc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322333969 388864933 /nfs/dbraw/zinc/86/49/33/388864933.db2.gz AANVBJRPWJLZRO-YOGCLGLASA-N 2 2 247.342 2.127 20 0 BEADLP COc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322333969 388864937 /nfs/dbraw/zinc/86/49/37/388864937.db2.gz AANVBJRPWJLZRO-YOGCLGLASA-N 2 2 247.342 2.127 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000129724111 388868506 /nfs/dbraw/zinc/86/85/06/388868506.db2.gz VJWXMTKHZFCDMX-GWCFXTLKSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000129724111 388868507 /nfs/dbraw/zinc/86/85/07/388868507.db2.gz VJWXMTKHZFCDMX-GWCFXTLKSA-N 2 2 234.387 2.390 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000152851040 388888086 /nfs/dbraw/zinc/88/80/86/388888086.db2.gz VNNXKZDNNPUIFN-ZDUSSCGKSA-N 2 2 212.381 2.352 20 0 BEADLP CC1(C)CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000564969124 388903507 /nfs/dbraw/zinc/90/35/07/388903507.db2.gz CPPFCOMSMRBWGR-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP CC1(C)CCC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000564969124 388903509 /nfs/dbraw/zinc/90/35/09/388903509.db2.gz CPPFCOMSMRBWGR-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP Cc1cc(C)cc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000565216350 388927564 /nfs/dbraw/zinc/92/75/64/388927564.db2.gz FCOGYLWPKORYNK-UHFFFAOYSA-N 2 2 232.371 2.486 20 0 BEADLP Cc1ccsc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000565239164 388930637 /nfs/dbraw/zinc/93/06/37/388930637.db2.gz UUUHELWFKKIQEM-UHFFFAOYSA-N 2 2 235.356 2.388 20 0 BEADLP CCCc1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000565538468 388953041 /nfs/dbraw/zinc/95/30/41/388953041.db2.gz FKXBEGDZOHWPQV-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000565538468 388953044 /nfs/dbraw/zinc/95/30/44/388953044.db2.gz FKXBEGDZOHWPQV-HNNXBMFYSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000274862559 389049769 /nfs/dbraw/zinc/04/97/69/389049769.db2.gz DBKJXPLBPAJVLP-SNVBAGLBSA-N 2 2 241.766 2.337 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000400653107 533455145 /nfs/dbraw/zinc/45/51/45/533455145.db2.gz QFRQHZMQJFHYGW-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP CC(C)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000267211762 132189053 /nfs/dbraw/zinc/18/90/53/132189053.db2.gz BQVXDSXKCGSLJK-UHFFFAOYSA-N 2 2 239.750 2.265 20 0 BEADLP Cc1cc[nH+]c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000268279942 132191825 /nfs/dbraw/zinc/19/18/25/132191825.db2.gz ASSSMZXTWDIYGP-UHFFFAOYSA-N 2 2 242.326 2.428 20 0 BEADLP CC[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000273093382 132201340 /nfs/dbraw/zinc/20/13/40/132201340.db2.gz OEDGWCAJLCLDFI-LBPRGKRZSA-N 2 2 248.374 2.014 20 0 BEADLP Cc1cc(N2CCC[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000044531737 132225025 /nfs/dbraw/zinc/22/50/25/132225025.db2.gz KTVQWOHKSPAVCE-GFCCVEGCSA-N 2 2 248.374 2.084 20 0 BEADLP Cc1cc(N2CCCC[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000044559408 132225218 /nfs/dbraw/zinc/22/52/18/132225218.db2.gz ZIFPJJWMUIREMP-GFCCVEGCSA-N 2 2 248.374 2.226 20 0 BEADLP Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000250967506 132232270 /nfs/dbraw/zinc/23/22/70/132232270.db2.gz RCXGXGMLJQBRKR-NWDGAFQWSA-N 2 2 248.374 2.095 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000347017867 133798206 /nfs/dbraw/zinc/79/82/06/133798206.db2.gz KRRZNSFVNZWVPZ-BYCRGOAPSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000347017867 133798207 /nfs/dbraw/zinc/79/82/07/133798207.db2.gz KRRZNSFVNZWVPZ-BYCRGOAPSA-N 2 2 222.307 2.118 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000336103178 134084255 /nfs/dbraw/zinc/08/42/55/134084255.db2.gz OFVLDTQVIFEPHB-CHWSQXEVSA-N 2 2 231.343 2.144 20 0 BEADLP Cc1oncc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336137642 134096453 /nfs/dbraw/zinc/09/64/53/134096453.db2.gz WIXHLVVALCTQTL-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1oncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000336137642 134096454 /nfs/dbraw/zinc/09/64/54/134096454.db2.gz WIXHLVVALCTQTL-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1oncc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000336137642 134096455 /nfs/dbraw/zinc/09/64/55/134096455.db2.gz WIXHLVVALCTQTL-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP Cc1oncc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336137642 134096456 /nfs/dbraw/zinc/09/64/56/134096456.db2.gz WIXHLVVALCTQTL-PBWFPOADSA-N 2 2 249.358 2.040 20 0 BEADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]2C2CC2)[nH+]1 ZINC000336216249 134137327 /nfs/dbraw/zinc/13/73/27/134137327.db2.gz MTJLBLCGLXBSTF-ZDUSSCGKSA-N 2 2 227.311 2.319 20 0 BEADLP c1cn2c(cccc2C[N@H+]2CC[C@H]2C2CC2)[nH+]1 ZINC000336216249 134137328 /nfs/dbraw/zinc/13/73/28/134137328.db2.gz MTJLBLCGLXBSTF-ZDUSSCGKSA-N 2 2 227.311 2.319 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217505786 134248975 /nfs/dbraw/zinc/24/89/75/134248975.db2.gz ZMDZCWJWCILZHW-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217505786 134248976 /nfs/dbraw/zinc/24/89/76/134248976.db2.gz ZMDZCWJWCILZHW-GXFFZTMASA-N 2 2 222.307 2.310 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/Cl ZINC000175593129 134288010 /nfs/dbraw/zinc/28/80/10/134288010.db2.gz XDKTWDFQOAUADG-HNFQPOCMSA-N 2 2 228.767 2.298 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/Cl ZINC000175593129 134288011 /nfs/dbraw/zinc/28/80/11/134288011.db2.gz XDKTWDFQOAUADG-HNFQPOCMSA-N 2 2 228.767 2.298 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC000175593129 134288012 /nfs/dbraw/zinc/28/80/12/134288012.db2.gz XDKTWDFQOAUADG-HNFQPOCMSA-N 2 2 228.767 2.298 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1COc2ccccc21 ZINC000179006196 134314144 /nfs/dbraw/zinc/31/41/44/134314144.db2.gz UFBCKMCCEKIMKY-ZWNOBZJWSA-N 2 2 243.310 2.064 20 0 BEADLP CC(C)CCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000221456567 134324756 /nfs/dbraw/zinc/32/47/56/134324756.db2.gz XPMDIPCGHYBKTL-KGLIPLIRSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)CCOCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000221456567 134324757 /nfs/dbraw/zinc/32/47/57/134324757.db2.gz XPMDIPCGHYBKTL-KGLIPLIRSA-N 2 2 242.407 2.108 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222023474 134329310 /nfs/dbraw/zinc/32/93/10/134329310.db2.gz UQAZTKASZSXQCB-SRVKXCTJSA-N 2 2 230.421 2.186 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222023474 134329311 /nfs/dbraw/zinc/32/93/11/134329311.db2.gz UQAZTKASZSXQCB-SRVKXCTJSA-N 2 2 230.421 2.186 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182496262 134345656 /nfs/dbraw/zinc/34/56/56/134345656.db2.gz SVGLFKIKEKXMTQ-MCIONIFRSA-N 2 2 233.359 2.394 20 0 BEADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182496262 134345657 /nfs/dbraw/zinc/34/56/57/134345657.db2.gz SVGLFKIKEKXMTQ-MCIONIFRSA-N 2 2 233.359 2.394 20 0 BEADLP Cc1ncsc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227374862 134379221 /nfs/dbraw/zinc/37/92/21/134379221.db2.gz INFGCEQHCQIXNO-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)[C@H]1C ZINC000246068620 134875384 /nfs/dbraw/zinc/87/53/84/134875384.db2.gz HJAQWHNVCZMRFB-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000177736930 134905348 /nfs/dbraw/zinc/90/53/48/134905348.db2.gz WZZGXTQZEODNPH-CQSZACIVSA-N 2 2 242.407 2.267 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000249893983 135047374 /nfs/dbraw/zinc/04/73/74/135047374.db2.gz FBKPFOKVPGGGRU-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000249893983 135047378 /nfs/dbraw/zinc/04/73/78/135047378.db2.gz FBKPFOKVPGGGRU-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000249893984 135047424 /nfs/dbraw/zinc/04/74/24/135047424.db2.gz FBKPFOKVPGGGRU-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000249893984 135047427 /nfs/dbraw/zinc/04/74/27/135047427.db2.gz FBKPFOKVPGGGRU-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000250085504 135049828 /nfs/dbraw/zinc/04/98/28/135049828.db2.gz VNKPUXKAJDSMJM-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000250085504 135049830 /nfs/dbraw/zinc/04/98/30/135049830.db2.gz VNKPUXKAJDSMJM-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000250362313 135052988 /nfs/dbraw/zinc/05/29/88/135052988.db2.gz UFUFZVISLQRVLU-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000250362313 135052991 /nfs/dbraw/zinc/05/29/91/135052991.db2.gz UFUFZVISLQRVLU-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+](C)C)C1 ZINC000251786744 135077724 /nfs/dbraw/zinc/07/77/24/135077724.db2.gz NIMFXNOIGWOSKP-UPJWGTAASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1C ZINC000251889374 135080426 /nfs/dbraw/zinc/08/04/26/135080426.db2.gz RSNMYENOWNNFMP-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@H+](Cc1ccc(F)cc1)C1(C[NH3+])CCC1 ZINC000086475016 135085199 /nfs/dbraw/zinc/08/51/99/135085199.db2.gz NJCBECXQWFZTQR-UHFFFAOYSA-N 2 2 222.307 2.139 20 0 BEADLP C[N@@H+](Cc1ccc(F)cc1)C1(C[NH3+])CCC1 ZINC000086475016 135085200 /nfs/dbraw/zinc/08/52/00/135085200.db2.gz NJCBECXQWFZTQR-UHFFFAOYSA-N 2 2 222.307 2.139 20 0 BEADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086727316 135095404 /nfs/dbraw/zinc/09/54/04/135095404.db2.gz WOOJKKMUDSWRAC-KBPBESRZSA-N 2 2 218.344 2.479 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000252675146 135095975 /nfs/dbraw/zinc/09/59/75/135095975.db2.gz XIRDNUQQZHUFSI-STQMWFEESA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000252675146 135095977 /nfs/dbraw/zinc/09/59/77/135095977.db2.gz XIRDNUQQZHUFSI-STQMWFEESA-N 2 2 234.343 2.304 20 0 BEADLP CCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258899835 135135377 /nfs/dbraw/zinc/13/53/77/135135377.db2.gz RTJSONFBQLSOET-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP CCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258899835 135135378 /nfs/dbraw/zinc/13/53/78/135135378.db2.gz RTJSONFBQLSOET-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP C[C@H](C[NH2+]CCC1CCCCC1)[NH+](C)C ZINC000087473363 135142308 /nfs/dbraw/zinc/14/23/08/135142308.db2.gz BZZSLPDKVVLGKJ-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000087472300 135143362 /nfs/dbraw/zinc/14/33/62/135143362.db2.gz FJHIWLLQKFXGSH-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000087472300 135143364 /nfs/dbraw/zinc/14/33/64/135143364.db2.gz FJHIWLLQKFXGSH-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000259636916 135143830 /nfs/dbraw/zinc/14/38/30/135143830.db2.gz CLCACTYQLLOUFT-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000259636916 135143831 /nfs/dbraw/zinc/14/38/31/135143831.db2.gz CLCACTYQLLOUFT-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP CSc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000259989073 135146101 /nfs/dbraw/zinc/14/61/01/135146101.db2.gz JDOWHAWKTIDCIQ-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000259989073 135146103 /nfs/dbraw/zinc/14/61/03/135146103.db2.gz JDOWHAWKTIDCIQ-JTQLQIEISA-N 2 2 224.373 2.188 20 0 BEADLP CC(C)Oc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000260163952 135147414 /nfs/dbraw/zinc/14/74/14/135147414.db2.gz RKJBOHIIOZHJNK-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000260163952 135147416 /nfs/dbraw/zinc/14/74/16/135147416.db2.gz RKJBOHIIOZHJNK-LBPRGKRZSA-N 2 2 236.359 2.253 20 0 BEADLP COc1c(C)cc(C[N@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000260279905 135148067 /nfs/dbraw/zinc/14/80/67/135148067.db2.gz XVQWTSQEHSXBSY-LBPRGKRZSA-N 2 2 236.359 2.091 20 0 BEADLP COc1c(C)cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1C ZINC000260279905 135148068 /nfs/dbraw/zinc/14/80/68/135148068.db2.gz XVQWTSQEHSXBSY-LBPRGKRZSA-N 2 2 236.359 2.091 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1F ZINC000261538445 135176351 /nfs/dbraw/zinc/17/63/51/135176351.db2.gz YDOLDVDKTXAORP-VIFPVBQESA-N 2 2 210.296 2.214 20 0 BEADLP c1ccc2ncc(C[N@@H+]3CCC[NH2+]CC3)cc2c1 ZINC000261545836 135177855 /nfs/dbraw/zinc/17/78/55/135177855.db2.gz IQRTWQHMHGWJAN-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1ccc2ncc(C[N@H+]3CCC[NH2+]CC3)cc2c1 ZINC000261545836 135177857 /nfs/dbraw/zinc/17/78/57/135177857.db2.gz IQRTWQHMHGWJAN-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261543298 135184038 /nfs/dbraw/zinc/18/40/38/135184038.db2.gz CTQWGARXPKESCG-OCCSQVGLSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261543298 135184040 /nfs/dbraw/zinc/18/40/40/135184040.db2.gz CTQWGARXPKESCG-OCCSQVGLSA-N 2 2 234.318 2.010 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000261543633 135184359 /nfs/dbraw/zinc/18/43/59/135184359.db2.gz DCLNLTXPWKDTOS-CYBMUJFWSA-N 2 2 242.313 2.428 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544047 135185120 /nfs/dbraw/zinc/18/51/20/135185120.db2.gz DNVRPUTVNLAKCK-ABAIWWIYSA-N 2 2 230.355 2.486 20 0 BEADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000261544047 135185121 /nfs/dbraw/zinc/18/51/21/135185121.db2.gz DNVRPUTVNLAKCK-ABAIWWIYSA-N 2 2 230.355 2.486 20 0 BEADLP CCCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261550751 135189289 /nfs/dbraw/zinc/18/92/89/135189289.db2.gz PTQOCEAYPABKKB-IUODEOHRSA-N 2 2 248.370 2.254 20 0 BEADLP CCCOc1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000261550751 135189292 /nfs/dbraw/zinc/18/92/92/135189292.db2.gz PTQOCEAYPABKKB-IUODEOHRSA-N 2 2 248.370 2.254 20 0 BEADLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261558407 135199700 /nfs/dbraw/zinc/19/97/00/135199700.db2.gz SHXRZSDQJYXLIH-SMDDNHRTSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261558407 135199702 /nfs/dbraw/zinc/19/97/02/135199702.db2.gz SHXRZSDQJYXLIH-SMDDNHRTSA-N 2 2 234.343 2.007 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261560605 135200740 /nfs/dbraw/zinc/20/07/40/135200740.db2.gz ACTINISEJWCZFH-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261560605 135200742 /nfs/dbraw/zinc/20/07/42/135200742.db2.gz ACTINISEJWCZFH-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261563400 135205633 /nfs/dbraw/zinc/20/56/33/135205633.db2.gz XBCRYJORSRBKLU-OCCSQVGLSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261563400 135205634 /nfs/dbraw/zinc/20/56/34/135205634.db2.gz XBCRYJORSRBKLU-OCCSQVGLSA-N 2 2 234.318 2.010 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1F ZINC000261564146 135205974 /nfs/dbraw/zinc/20/59/74/135205974.db2.gz CHODGYQHDLGNAJ-ZDUSSCGKSA-N 2 2 224.323 2.289 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261565645 135208212 /nfs/dbraw/zinc/20/82/12/135208212.db2.gz DCAKQNBEYLAIAQ-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261565645 135208214 /nfs/dbraw/zinc/20/82/14/135208214.db2.gz DCAKQNBEYLAIAQ-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261577294 135218489 /nfs/dbraw/zinc/21/84/89/135218489.db2.gz KXZVZQRRGJLSDK-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000261577294 135218490 /nfs/dbraw/zinc/21/84/90/135218490.db2.gz KXZVZQRRGJLSDK-GXTWGEPZSA-N 2 2 218.344 2.225 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]CC(C)(C)[NH3+] ZINC000261583067 135224159 /nfs/dbraw/zinc/22/41/59/135224159.db2.gz OVGJBKQUIBYBRG-JTQLQIEISA-N 2 2 222.332 2.083 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH3+])[C@H]1c1cccc(F)c1 ZINC000261584850 135225880 /nfs/dbraw/zinc/22/58/80/135225880.db2.gz QBOWOIXQRZSSBB-ZWNOBZJWSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH3+])[C@H]1c1cccc(F)c1 ZINC000261584850 135225881 /nfs/dbraw/zinc/22/58/81/135225881.db2.gz QBOWOIXQRZSSBB-ZWNOBZJWSA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH3+])[C@H]1c1cccc(F)c1 ZINC000261584848 135225965 /nfs/dbraw/zinc/22/59/65/135225965.db2.gz QBOWOIXQRZSSBB-GXFFZTMASA-N 2 2 222.307 2.167 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH3+])[C@H]1c1cccc(F)c1 ZINC000261584848 135225966 /nfs/dbraw/zinc/22/59/66/135225966.db2.gz QBOWOIXQRZSSBB-GXFFZTMASA-N 2 2 222.307 2.167 20 0 BEADLP Cc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000261584820 135226310 /nfs/dbraw/zinc/22/63/10/135226310.db2.gz QAZFLUFAIPQSJB-AWEZNQCLSA-N 2 2 218.344 2.481 20 0 BEADLP Cc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000261584820 135226312 /nfs/dbraw/zinc/22/63/12/135226312.db2.gz QAZFLUFAIPQSJB-AWEZNQCLSA-N 2 2 218.344 2.481 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000261596113 135236175 /nfs/dbraw/zinc/23/61/75/135236175.db2.gz YMWSNFLTHREYGQ-QWRGUYRKSA-N 2 2 228.405 2.084 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000261596113 135236177 /nfs/dbraw/zinc/23/61/77/135236177.db2.gz YMWSNFLTHREYGQ-QWRGUYRKSA-N 2 2 228.405 2.084 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1[NH3+] ZINC000261546098 135238157 /nfs/dbraw/zinc/23/81/57/135238157.db2.gz NGXORWXWSCTMFG-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)C[C@@H]1[NH3+] ZINC000261546098 135238159 /nfs/dbraw/zinc/23/81/59/135238159.db2.gz NGXORWXWSCTMFG-RISCZKNCSA-N 2 2 241.338 2.014 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261833660 135255984 /nfs/dbraw/zinc/25/59/84/135255984.db2.gz JFPOIELVHUYMJJ-RISCZKNCSA-N 2 2 236.334 2.223 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000261833660 135255985 /nfs/dbraw/zinc/25/59/85/135255985.db2.gz JFPOIELVHUYMJJ-RISCZKNCSA-N 2 2 236.334 2.223 20 0 BEADLP C[C@]1(C[N@@H+]2CCc3c(F)cccc3C2)CC[NH2+]C1 ZINC000261915417 135262463 /nfs/dbraw/zinc/26/24/63/135262463.db2.gz ZIARXGJVPMXBHR-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@]1(C[N@H+]2CCc3c(F)cccc3C2)CC[NH2+]C1 ZINC000261915417 135262464 /nfs/dbraw/zinc/26/24/64/135262464.db2.gz ZIARXGJVPMXBHR-HNNXBMFYSA-N 2 2 248.345 2.183 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1[NH3+] ZINC000261956040 135265921 /nfs/dbraw/zinc/26/59/21/135265921.db2.gz GQVLQILHTSJAHP-NOZJJQNGSA-N 2 2 248.301 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)C[C@H]1[NH3+] ZINC000261956040 135265922 /nfs/dbraw/zinc/26/59/22/135265922.db2.gz GQVLQILHTSJAHP-NOZJJQNGSA-N 2 2 248.301 2.351 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000261959766 135266714 /nfs/dbraw/zinc/26/67/14/135266714.db2.gz PBJNXKGIEJQSBG-UHFFFAOYSA-N 2 2 230.355 2.271 20 0 BEADLP CC(C)([NH3+])C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000261959766 135266715 /nfs/dbraw/zinc/26/67/15/135266715.db2.gz PBJNXKGIEJQSBG-UHFFFAOYSA-N 2 2 230.355 2.271 20 0 BEADLP CCc1cccc(F)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261964072 135266797 /nfs/dbraw/zinc/26/67/97/135266797.db2.gz HOEVBLRMYFBDPR-QMTHXVAHSA-N 2 2 236.334 2.167 20 0 BEADLP CCc1cccc(F)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261964072 135266799 /nfs/dbraw/zinc/26/67/99/135266799.db2.gz HOEVBLRMYFBDPR-QMTHXVAHSA-N 2 2 236.334 2.167 20 0 BEADLP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000261985282 135270043 /nfs/dbraw/zinc/27/00/43/135270043.db2.gz JQRNDNFOJXRADY-XXMQVSLVSA-N 2 2 234.318 2.118 20 0 BEADLP C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000261985282 135270045 /nfs/dbraw/zinc/27/00/45/135270045.db2.gz JQRNDNFOJXRADY-XXMQVSLVSA-N 2 2 234.318 2.118 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262013525 135273418 /nfs/dbraw/zinc/27/34/18/135273418.db2.gz VHAIUZVQNPXJIV-CQSZACIVSA-N 2 2 246.354 2.008 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000262013525 135273419 /nfs/dbraw/zinc/27/34/19/135273419.db2.gz VHAIUZVQNPXJIV-CQSZACIVSA-N 2 2 246.354 2.008 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262100101 135278352 /nfs/dbraw/zinc/27/83/52/135278352.db2.gz VMHCDRRQGVUHQY-IAQYHMDHSA-N 2 2 248.370 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000262100101 135278354 /nfs/dbraw/zinc/27/83/54/135278354.db2.gz VMHCDRRQGVUHQY-IAQYHMDHSA-N 2 2 248.370 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262100103 135278597 /nfs/dbraw/zinc/27/85/97/135278597.db2.gz VMHCDRRQGVUHQY-NHYWBVRUSA-N 2 2 248.370 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262100103 135278599 /nfs/dbraw/zinc/27/85/99/135278599.db2.gz VMHCDRRQGVUHQY-NHYWBVRUSA-N 2 2 248.370 2.037 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1F ZINC000334165495 135323037 /nfs/dbraw/zinc/32/30/37/135323037.db2.gz AGFYVSWAFULIMB-BXUZGUMPSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1F ZINC000334165495 135323039 /nfs/dbraw/zinc/32/30/39/135323039.db2.gz AGFYVSWAFULIMB-BXUZGUMPSA-N 2 2 236.334 2.174 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158829 135363796 /nfs/dbraw/zinc/36/37/96/135363796.db2.gz IZYXWVWPLFUHBG-ZFWWWQNUSA-N 2 2 244.382 2.258 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000343158829 135363797 /nfs/dbraw/zinc/36/37/97/135363797.db2.gz IZYXWVWPLFUHBG-ZFWWWQNUSA-N 2 2 244.382 2.258 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385961 135381705 /nfs/dbraw/zinc/38/17/05/135381705.db2.gz NPSXNVKCLHGHMY-ZYHUDNBSSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000334385961 135381708 /nfs/dbraw/zinc/38/17/08/135381708.db2.gz NPSXNVKCLHGHMY-ZYHUDNBSSA-N 2 2 246.345 2.352 20 0 BEADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299912353 135381836 /nfs/dbraw/zinc/38/18/36/135381836.db2.gz BNCPDMPMUQDCFO-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299912353 135381838 /nfs/dbraw/zinc/38/18/38/135381838.db2.gz BNCPDMPMUQDCFO-HOTGVXAUSA-N 2 2 244.382 2.487 20 0 BEADLP c1cn(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000081637255 135388393 /nfs/dbraw/zinc/38/83/93/135388393.db2.gz OMJVTCCGZXWRFG-KBPBESRZSA-N 2 2 233.359 2.442 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000081637259 135388508 /nfs/dbraw/zinc/38/85/08/135388508.db2.gz OMJVTCCGZXWRFG-ZIAGYGMSSA-N 2 2 233.359 2.442 20 0 BEADLP CC1(C)CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000087769813 135511970 /nfs/dbraw/zinc/51/19/70/135511970.db2.gz BGEZGLNYQFMMNE-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)s2)CC[NH2+]1 ZINC000334867376 135827949 /nfs/dbraw/zinc/82/79/49/135827949.db2.gz DAAAQRQJDUWLOX-JGVFFNPUSA-N 2 2 245.779 2.027 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc(C)c1F ZINC000335032783 135869147 /nfs/dbraw/zinc/86/91/47/135869147.db2.gz ABPRVXGVNFVAOU-WCQYABFASA-N 2 2 236.334 2.455 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000335282229 136000393 /nfs/dbraw/zinc/00/03/93/136000393.db2.gz VCVNZNSXASURJP-CHWSQXEVSA-N 2 2 240.297 2.324 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000335282773 136000761 /nfs/dbraw/zinc/00/07/61/136000761.db2.gz VJEVGFOTJJENBD-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000335282773 136000762 /nfs/dbraw/zinc/00/07/62/136000762.db2.gz VJEVGFOTJJENBD-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]([N@H+](C)CCc1c[nH+]cn1C)C1(C)CC1 ZINC000347738141 136005252 /nfs/dbraw/zinc/00/52/52/136005252.db2.gz QKTCDACNNCGYOF-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]([N@@H+](C)CCc1c[nH+]cn1C)C1(C)CC1 ZINC000347738141 136005253 /nfs/dbraw/zinc/00/52/53/136005253.db2.gz QKTCDACNNCGYOF-LLVKDONJSA-N 2 2 221.348 2.083 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH+]2CCCCC2)s1 ZINC000347904548 136015634 /nfs/dbraw/zinc/01/56/34/136015634.db2.gz BNHSMCJGJIWZDU-UHFFFAOYSA-N 2 2 239.388 2.191 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000348187035 136038336 /nfs/dbraw/zinc/03/83/36/136038336.db2.gz OFJGRDVBXSJTNF-STQMWFEESA-N 2 2 235.375 2.470 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CCC2)C1 ZINC000348175021 136042986 /nfs/dbraw/zinc/04/29/86/136042986.db2.gz COEQSCFXIFSUCP-UHFFFAOYSA-N 2 2 233.359 2.458 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CCC2)C1 ZINC000348175021 136042987 /nfs/dbraw/zinc/04/29/87/136042987.db2.gz COEQSCFXIFSUCP-UHFFFAOYSA-N 2 2 233.359 2.458 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C[C@@H](C)O ZINC000348219093 136046495 /nfs/dbraw/zinc/04/64/95/136046495.db2.gz KTWVQZSJALWDSS-QWHCGFSZSA-N 2 2 236.359 2.072 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000335323380 136050453 /nfs/dbraw/zinc/05/04/53/136050453.db2.gz QUFOQSKHWNODSQ-UHFFFAOYSA-N 2 2 230.355 2.275 20 0 BEADLP Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000335323380 136050454 /nfs/dbraw/zinc/05/04/54/136050454.db2.gz QUFOQSKHWNODSQ-UHFFFAOYSA-N 2 2 230.355 2.275 20 0 BEADLP CCO[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)C1(CC)CC ZINC000348317229 136068766 /nfs/dbraw/zinc/06/87/66/136068766.db2.gz JGKJXLGJUAYARC-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccnc1 ZINC000335355471 136070990 /nfs/dbraw/zinc/07/09/90/136070990.db2.gz IQHNTFJOFSNMBU-JQWIXIFHSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccnc1 ZINC000335355471 136070991 /nfs/dbraw/zinc/07/09/91/136070991.db2.gz IQHNTFJOFSNMBU-JQWIXIFHSA-N 2 2 242.326 2.013 20 0 BEADLP CCOC[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000348434798 136078702 /nfs/dbraw/zinc/07/87/02/136078702.db2.gz AFWWUCZBRLQRCH-AWEZNQCLSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000348554390 136096668 /nfs/dbraw/zinc/09/66/68/136096668.db2.gz LYFDPINRNJOPAU-GJZGRUSLSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000348554390 136096669 /nfs/dbraw/zinc/09/66/69/136096669.db2.gz LYFDPINRNJOPAU-GJZGRUSLSA-N 2 2 248.370 2.168 20 0 BEADLP [NH3+]CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000335567501 136108446 /nfs/dbraw/zinc/10/84/46/136108446.db2.gz YOBQSQKCEQYFIE-SNVBAGLBSA-N 2 2 242.775 2.425 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000308914003 397842747 /nfs/dbraw/zinc/84/27/47/397842747.db2.gz AWFAROBQKGWLPU-NTZNESFSSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000308914003 397842752 /nfs/dbraw/zinc/84/27/52/397842752.db2.gz AWFAROBQKGWLPU-NTZNESFSSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1CC1(C)C ZINC000309101531 397850871 /nfs/dbraw/zinc/85/08/71/397850871.db2.gz FZVRXLOKWKUSGR-RYUDHWBXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1CC1(C)C ZINC000309101529 397850956 /nfs/dbraw/zinc/85/09/56/397850956.db2.gz FZVRXLOKWKUSGR-NWDGAFQWSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C)[NH+](C)C ZINC000449555264 397956182 /nfs/dbraw/zinc/95/61/82/397956182.db2.gz GVBPGJOLYWIRMD-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C1CC1)[NH+](C)C ZINC000449556057 397956300 /nfs/dbraw/zinc/95/63/00/397956300.db2.gz KHUCDOIHVKAVTG-WCFLWFBJSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1)[NH+](C)C ZINC000449555813 397956381 /nfs/dbraw/zinc/95/63/81/397956381.db2.gz ISHCXDRWNYXZIX-ITKZLYELSA-N 2 2 236.334 2.379 20 0 BEADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537855 397918717 /nfs/dbraw/zinc/91/87/17/397918717.db2.gz SHYMVBIRMOUXHS-PEBLQZBPSA-N 2 2 242.382 2.491 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(F)c1 ZINC000643537640 397919333 /nfs/dbraw/zinc/91/93/33/397919333.db2.gz NGZKOHIPSNGOLU-ICCXJUOJSA-N 2 2 240.297 2.176 20 0 BEADLP c1cn(CCC[N@@H+]2CCCC23CCC3)c[nH+]1 ZINC000373103804 398013103 /nfs/dbraw/zinc/01/31/03/398013103.db2.gz JLSIUSUZOVBVOY-UHFFFAOYSA-N 2 2 219.332 2.292 20 0 BEADLP c1cn(CCC[N@H+]2CCCC23CCC3)c[nH+]1 ZINC000373103804 398013106 /nfs/dbraw/zinc/01/31/06/398013106.db2.gz JLSIUSUZOVBVOY-UHFFFAOYSA-N 2 2 219.332 2.292 20 0 BEADLP c1cn(-c2ccc(C[NH2+]C3CC3)cc2)c[nH+]1 ZINC000034652080 398014501 /nfs/dbraw/zinc/01/45/01/398014501.db2.gz JAUPKYZPCKMOAX-UHFFFAOYSA-N 2 2 213.284 2.124 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649582746 397970475 /nfs/dbraw/zinc/97/04/75/397970475.db2.gz QYSSRKVOMMMSRC-GXTWGEPZSA-N 2 2 247.386 2.389 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649582746 397970478 /nfs/dbraw/zinc/97/04/78/397970478.db2.gz QYSSRKVOMMMSRC-GXTWGEPZSA-N 2 2 247.386 2.389 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649582749 397970909 /nfs/dbraw/zinc/97/09/09/397970909.db2.gz QYSSRKVOMMMSRC-TZMCWYRMSA-N 2 2 247.386 2.389 20 0 BEADLP CCc1cnccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649582749 397970912 /nfs/dbraw/zinc/97/09/12/397970912.db2.gz QYSSRKVOMMMSRC-TZMCWYRMSA-N 2 2 247.386 2.389 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cc3ccccc3o2)CCC1 ZINC000414879654 398080068 /nfs/dbraw/zinc/08/00/68/398080068.db2.gz INTADKRHBQGHDP-UHFFFAOYSA-N 2 2 230.311 2.404 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000291557249 398094741 /nfs/dbraw/zinc/09/47/41/398094741.db2.gz RAZCNIPDXQPGMP-UHFFFAOYSA-N 2 2 247.342 2.060 20 0 BEADLP CCc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000051724123 398058457 /nfs/dbraw/zinc/05/84/57/398058457.db2.gz OXLJWMNWFQKLBH-LLVKDONJSA-N 2 2 233.315 2.217 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000309603514 398103030 /nfs/dbraw/zinc/10/30/30/398103030.db2.gz YDBJGCMURVMOPR-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000309603514 398103032 /nfs/dbraw/zinc/10/30/32/398103032.db2.gz YDBJGCMURVMOPR-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP Fc1ccc(F)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000258972545 322880322 /nfs/dbraw/zinc/88/03/22/322880322.db2.gz KJMZLNRFPQKLDP-GFCCVEGCSA-N 2 2 240.297 2.197 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000259024977 322881160 /nfs/dbraw/zinc/88/11/60/322881160.db2.gz ZCNYENWDUYBFME-UHFFFAOYSA-N 2 2 242.750 2.048 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000238226248 487568968 /nfs/dbraw/zinc/56/89/68/487568968.db2.gz DOHSDOPFLPCTBZ-CQSZACIVSA-N 2 2 218.344 2.261 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000238226248 487568975 /nfs/dbraw/zinc/56/89/75/487568975.db2.gz DOHSDOPFLPCTBZ-CQSZACIVSA-N 2 2 218.344 2.261 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000658288630 487577562 /nfs/dbraw/zinc/57/75/62/487577562.db2.gz WUODGKIXSJLVLB-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000658288630 487577567 /nfs/dbraw/zinc/57/75/67/487577567.db2.gz WUODGKIXSJLVLB-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000324366749 487584235 /nfs/dbraw/zinc/58/42/35/487584235.db2.gz WWMIKJVWKXGUES-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)C2CC2)C1 ZINC000324366749 487584243 /nfs/dbraw/zinc/58/42/43/487584243.db2.gz WWMIKJVWKXGUES-OLZOCXBDSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)[NH+](C)C ZINC000086934630 487590643 /nfs/dbraw/zinc/59/06/43/487590643.db2.gz CSILGQYURRGYPS-FRRDWIJNSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)CS1 ZINC000086935492 487592888 /nfs/dbraw/zinc/59/28/88/487592888.db2.gz WIDPASXWLABFLJ-CHWSQXEVSA-N 2 2 242.432 2.202 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000308946998 487596848 /nfs/dbraw/zinc/59/68/48/487596848.db2.gz OBNWUSDTIJSFMJ-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000308946998 487596852 /nfs/dbraw/zinc/59/68/52/487596852.db2.gz OBNWUSDTIJSFMJ-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP CC1(C)CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671302903 487596735 /nfs/dbraw/zinc/59/67/35/487596735.db2.gz LAESWTLLGFMSMV-GFCCVEGCSA-N 2 2 233.359 2.498 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCCCO1 ZINC000653873145 487600373 /nfs/dbraw/zinc/60/03/73/487600373.db2.gz KPLCCZXRCMFBDN-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCCCO1 ZINC000653873145 487600367 /nfs/dbraw/zinc/60/03/67/487600367.db2.gz KPLCCZXRCMFBDN-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662277211 409589610 /nfs/dbraw/zinc/58/96/10/409589610.db2.gz SMNSOWFQJGDTFI-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662277211 409589620 /nfs/dbraw/zinc/58/96/20/409589620.db2.gz SMNSOWFQJGDTFI-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000662278119 409597543 /nfs/dbraw/zinc/59/75/43/409597543.db2.gz WFFGLFIRVMNNJY-CYBMUJFWSA-N 2 2 249.358 2.030 20 0 BEADLP CCCCC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283624 409615670 /nfs/dbraw/zinc/61/56/70/409615670.db2.gz BWGGJWIHPOEIKU-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CCCCC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662283624 409615672 /nfs/dbraw/zinc/61/56/72/409615672.db2.gz BWGGJWIHPOEIKU-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309321384 167332001 /nfs/dbraw/zinc/33/20/01/167332001.db2.gz FGXSEWRIWNIOMP-WCQYABFASA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309321384 167332003 /nfs/dbraw/zinc/33/20/03/167332003.db2.gz FGXSEWRIWNIOMP-WCQYABFASA-N 2 2 242.432 2.200 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000336684533 167332552 /nfs/dbraw/zinc/33/25/52/167332552.db2.gz ZQGHBIYJNOEXPB-VXGBXAGGSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)SCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000336684533 167332555 /nfs/dbraw/zinc/33/25/55/167332555.db2.gz ZQGHBIYJNOEXPB-VXGBXAGGSA-N 2 2 242.432 2.343 20 0 BEADLP CC(C)[N@H+](Cc1ccccn1)CC12CC(C1)C[NH2+]2 ZINC000634992444 410331467 /nfs/dbraw/zinc/33/14/67/410331467.db2.gz OZIFRUVNOSNFDE-UHFFFAOYSA-N 2 2 245.370 2.044 20 0 BEADLP CC(C)[N@@H+](Cc1ccccn1)CC12CC(C1)C[NH2+]2 ZINC000634992444 410331471 /nfs/dbraw/zinc/33/14/71/410331471.db2.gz OZIFRUVNOSNFDE-UHFFFAOYSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703485 410332216 /nfs/dbraw/zinc/33/22/16/410332216.db2.gz BRCLDYCEZNQKHY-LRDDRELGSA-N 2 2 244.382 2.263 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702657 410333190 /nfs/dbraw/zinc/33/31/90/410333190.db2.gz OTPBLTKWBHNLMR-AWEZNQCLSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702657 410333196 /nfs/dbraw/zinc/33/31/96/410333196.db2.gz OTPBLTKWBHNLMR-AWEZNQCLSA-N 2 2 230.355 2.098 20 0 BEADLP CC[C@H](OCC[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000650710616 410340098 /nfs/dbraw/zinc/34/00/98/410340098.db2.gz UOFMYXKAOXDTFV-CABCVRRESA-N 2 2 248.370 2.106 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000650720710 410361635 /nfs/dbraw/zinc/36/16/35/410361635.db2.gz ZENQAOVXMRFHND-OLZOCXBDSA-N 2 2 240.391 2.003 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000650720710 410361639 /nfs/dbraw/zinc/36/16/39/410361639.db2.gz ZENQAOVXMRFHND-OLZOCXBDSA-N 2 2 240.391 2.003 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000650720712 410361652 /nfs/dbraw/zinc/36/16/52/410361652.db2.gz ZENQAOVXMRFHND-STQMWFEESA-N 2 2 240.391 2.003 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000650720712 410361657 /nfs/dbraw/zinc/36/16/57/410361657.db2.gz ZENQAOVXMRFHND-STQMWFEESA-N 2 2 240.391 2.003 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cn1 ZINC000665248567 410732014 /nfs/dbraw/zinc/73/20/14/410732014.db2.gz ZGAREQCRGZSXTQ-SNVBAGLBSA-N 2 2 237.322 2.143 20 0 BEADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccccc1 ZINC000665294014 410782431 /nfs/dbraw/zinc/78/24/31/410782431.db2.gz GWUQCKJJLONQDR-DGCLKSJQSA-N 2 2 206.333 2.335 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000665294119 410782486 /nfs/dbraw/zinc/78/24/86/410782486.db2.gz IMTPKTVETHSHMT-UWVGGRQHSA-N 2 2 210.296 2.084 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000665294153 410783100 /nfs/dbraw/zinc/78/31/00/410783100.db2.gz JFSOTHBTQDMQIZ-MWLCHTKSSA-N 2 2 224.373 2.323 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000665294121 410783579 /nfs/dbraw/zinc/78/35/79/410783579.db2.gz IMTPKTVETHSHMT-ZJUUUORDSA-N 2 2 210.296 2.084 20 0 BEADLP CC(C)CCC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000162089054 166814652 /nfs/dbraw/zinc/81/46/52/166814652.db2.gz UUKJQHNYUNJGSB-LBPRGKRZSA-N 2 2 209.337 2.297 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394374756 410792104 /nfs/dbraw/zinc/79/21/04/410792104.db2.gz KGFWZUCXJJUJRK-CLRIEMFWSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394374756 410792111 /nfs/dbraw/zinc/79/21/11/410792111.db2.gz KGFWZUCXJJUJRK-CLRIEMFWSA-N 2 2 222.376 2.249 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000665295207 410794822 /nfs/dbraw/zinc/79/48/22/410794822.db2.gz AGZOFGPVURYTKZ-ZYHUDNBSSA-N 2 2 236.359 2.491 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000665295347 410795450 /nfs/dbraw/zinc/79/54/50/410795450.db2.gz CGELASQHDUFHCI-WPRPVWTQSA-N 2 2 239.388 2.026 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000665295334 410795943 /nfs/dbraw/zinc/79/59/43/410795943.db2.gz CBGPRCLYBVBEHX-RISCZKNCSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000665296887 410817599 /nfs/dbraw/zinc/81/75/99/410817599.db2.gz ZEXMKWNMRWRYGE-NEPJUHHUSA-N 2 2 235.375 2.011 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000665295676 410800512 /nfs/dbraw/zinc/80/05/12/410800512.db2.gz HQJSOVCGUFLJRX-JGVFFNPUSA-N 2 2 227.377 2.018 20 0 BEADLP CCC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccnc1 ZINC000665298587 410831387 /nfs/dbraw/zinc/83/13/87/410831387.db2.gz YMWPMKOUBBUJED-YPMHNXCESA-N 2 2 221.348 2.120 20 0 BEADLP CC(C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000182082094 167135519 /nfs/dbraw/zinc/13/55/19/167135519.db2.gz MFJDGGVFISXFHS-ZIAGYGMSSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000182082094 167135521 /nfs/dbraw/zinc/13/55/21/167135521.db2.gz MFJDGGVFISXFHS-ZIAGYGMSSA-N 2 2 218.344 2.430 20 0 BEADLP CC(C)OCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128265589 167226154 /nfs/dbraw/zinc/22/61/54/167226154.db2.gz WHQJCOFYXBPDEE-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128265589 167226156 /nfs/dbraw/zinc/22/61/56/167226156.db2.gz WHQJCOFYXBPDEE-OLZOCXBDSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000337332352 167257126 /nfs/dbraw/zinc/25/71/26/167257126.db2.gz IDAVUBMDUOMWKD-JHJVBQTASA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000337332352 167257127 /nfs/dbraw/zinc/25/71/27/167257127.db2.gz IDAVUBMDUOMWKD-JHJVBQTASA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094077235 167298173 /nfs/dbraw/zinc/29/81/73/167298173.db2.gz PXDGNAVOARRILB-TZMCWYRMSA-N 2 2 248.370 2.486 20 0 BEADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000037712506 167299356 /nfs/dbraw/zinc/29/93/56/167299356.db2.gz YVJBHIBLECHPBU-LLVKDONJSA-N 2 2 222.332 2.083 20 0 BEADLP Cc1c[nH+]ccc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000104246473 410930841 /nfs/dbraw/zinc/93/08/41/410930841.db2.gz JBWPBPCLHRIPPQ-GFCCVEGCSA-N 2 2 247.342 2.108 20 0 BEADLP CC(C)C[N@H+](C)CCCNc1cccc[nH+]1 ZINC000651363691 410953699 /nfs/dbraw/zinc/95/36/99/410953699.db2.gz FCUQRFCKHNNUED-UHFFFAOYSA-N 2 2 221.348 2.471 20 0 BEADLP CC(C)C[N@@H+](C)CCCNc1cccc[nH+]1 ZINC000651363691 410953701 /nfs/dbraw/zinc/95/37/01/410953701.db2.gz FCUQRFCKHNNUED-UHFFFAOYSA-N 2 2 221.348 2.471 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000651684981 411135931 /nfs/dbraw/zinc/13/59/31/411135931.db2.gz DYWQHMXBYGJZDR-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000651684981 411135933 /nfs/dbraw/zinc/13/59/33/411135933.db2.gz DYWQHMXBYGJZDR-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000651731993 411139612 /nfs/dbraw/zinc/13/96/12/411139612.db2.gz FWEWAVBHXYMKIZ-IUODEOHRSA-N 2 2 232.371 2.289 20 0 BEADLP CCc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000651731993 411139613 /nfs/dbraw/zinc/13/96/13/411139613.db2.gz FWEWAVBHXYMKIZ-IUODEOHRSA-N 2 2 232.371 2.289 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651806959 411144690 /nfs/dbraw/zinc/14/46/90/411144690.db2.gz FRVYZOGCMCOTKV-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651806960 411144720 /nfs/dbraw/zinc/14/47/20/411144720.db2.gz FRVYZOGCMCOTKV-FRRDWIJNSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](c1ccccn1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655942644 411161429 /nfs/dbraw/zinc/16/14/29/411161429.db2.gz WPMPAYMTRDBGOB-OPFPJEHXSA-N 2 2 245.370 2.346 20 0 BEADLP C[C@@H](c1ccccn1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655942644 411161431 /nfs/dbraw/zinc/16/14/31/411161431.db2.gz WPMPAYMTRDBGOB-OPFPJEHXSA-N 2 2 245.370 2.346 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccsc1 ZINC000656400698 411244389 /nfs/dbraw/zinc/24/43/89/411244389.db2.gz HOYLHLVRBMCMQH-UHFFFAOYSA-N 2 2 235.356 2.156 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccsc1 ZINC000656400698 411244393 /nfs/dbraw/zinc/24/43/93/411244393.db2.gz HOYLHLVRBMCMQH-UHFFFAOYSA-N 2 2 235.356 2.156 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)c1 ZINC000658033804 411209315 /nfs/dbraw/zinc/20/93/15/411209315.db2.gz ANZCVSGCUWCSHV-RDBSUJKOSA-N 2 2 247.386 2.377 20 0 BEADLP Cc1c[nH+]c(CCNc2cc[nH+]c(C)c2)c(C)c1 ZINC000656210653 411210684 /nfs/dbraw/zinc/21/06/84/411210684.db2.gz CTGBNUAANOVZLN-UHFFFAOYSA-N 2 2 241.338 2.478 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000652350215 411211096 /nfs/dbraw/zinc/21/10/96/411211096.db2.gz MIMJFJMXPQRFQY-RISCZKNCSA-N 2 2 236.334 2.136 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000652350215 411211098 /nfs/dbraw/zinc/21/10/98/411211098.db2.gz MIMJFJMXPQRFQY-RISCZKNCSA-N 2 2 236.334 2.136 20 0 BEADLP COC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658055860 411222268 /nfs/dbraw/zinc/22/22/68/411222268.db2.gz JQUJEONZOURMOJ-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP COC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658055860 411222270 /nfs/dbraw/zinc/22/22/70/411222270.db2.gz JQUJEONZOURMOJ-OLZOCXBDSA-N 2 2 242.407 2.120 20 0 BEADLP CCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655680296 411222698 /nfs/dbraw/zinc/22/26/98/411222698.db2.gz JBJWXZMEWWYCFM-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC1(C)C[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CO1 ZINC000660092599 411227830 /nfs/dbraw/zinc/22/78/30/411227830.db2.gz ATRHREIYRHBCFB-GFCCVEGCSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)CS1 ZINC000655686550 411230287 /nfs/dbraw/zinc/23/02/87/411230287.db2.gz KQIJVZNEPTTWBW-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401654083 411272720 /nfs/dbraw/zinc/27/27/20/411272720.db2.gz SAWKTPRQKAZBPB-RWMBFGLXSA-N 2 2 248.370 2.344 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164654 411277516 /nfs/dbraw/zinc/27/75/16/411277516.db2.gz GBHGFKMSDOJAIC-YXAMBPQSSA-N 2 2 244.382 2.255 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000658164654 411277520 /nfs/dbraw/zinc/27/75/20/411277520.db2.gz GBHGFKMSDOJAIC-YXAMBPQSSA-N 2 2 244.382 2.255 20 0 BEADLP C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000051890061 411284746 /nfs/dbraw/zinc/28/47/46/411284746.db2.gz VGQRJSMJVSDALJ-LLVKDONJSA-N 2 2 238.762 2.381 20 0 BEADLP C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000051890061 411284748 /nfs/dbraw/zinc/28/47/48/411284748.db2.gz VGQRJSMJVSDALJ-LLVKDONJSA-N 2 2 238.762 2.381 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@]1(C)CC1(C)C ZINC000658309982 411330942 /nfs/dbraw/zinc/33/09/42/411330942.db2.gz ZZWOVCVPECTPCI-QKCSRTOESA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@]1(C)CC1(C)C ZINC000658309982 411330945 /nfs/dbraw/zinc/33/09/45/411330945.db2.gz ZZWOVCVPECTPCI-QKCSRTOESA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC2(C)C)C[N@@H+]1C1CC1 ZINC000658309693 411331071 /nfs/dbraw/zinc/33/10/71/411331071.db2.gz XWYHCRDIFSIXFR-SUNKGSAMSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC2(C)C)C[N@H+]1C1CC1 ZINC000658309693 411331073 /nfs/dbraw/zinc/33/10/73/411331073.db2.gz XWYHCRDIFSIXFR-SUNKGSAMSA-N 2 2 222.376 2.390 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccoc2)C1 ZINC000658284264 411322429 /nfs/dbraw/zinc/32/24/29/411322429.db2.gz FGHXMSHNCAUGME-OCCSQVGLSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccoc2)C1 ZINC000658284264 411322434 /nfs/dbraw/zinc/32/24/34/411322434.db2.gz FGHXMSHNCAUGME-OCCSQVGLSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000658283835 411322667 /nfs/dbraw/zinc/32/26/67/411322667.db2.gz DFDDOBPNFGSPSA-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000658283835 411322670 /nfs/dbraw/zinc/32/26/70/411322670.db2.gz DFDDOBPNFGSPSA-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2CC)C1 ZINC000658285616 411322905 /nfs/dbraw/zinc/32/29/05/411322905.db2.gz LOKLJYZSGQSWKW-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2CC)C1 ZINC000658285616 411322908 /nfs/dbraw/zinc/32/29/08/411322908.db2.gz LOKLJYZSGQSWKW-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293266 411326062 /nfs/dbraw/zinc/32/60/62/411326062.db2.gz LAYCDOUFJBUDDA-XPXVYLNCSA-N 2 2 242.382 2.443 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293266 411326065 /nfs/dbraw/zinc/32/60/65/411326065.db2.gz LAYCDOUFJBUDDA-XPXVYLNCSA-N 2 2 242.382 2.443 20 0 BEADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]CC[NH+](C)C)CC2 ZINC000655768653 411250841 /nfs/dbraw/zinc/25/08/41/411250841.db2.gz LFFQSUDSLCMFPT-CQSZACIVSA-N 2 2 232.371 2.442 20 0 BEADLP CCn1cc[nH+]c1NCc1[nH+]ccn1C(C)C ZINC000656776317 411356146 /nfs/dbraw/zinc/35/61/46/411356146.db2.gz NGGNJYDJGREARK-UHFFFAOYSA-N 2 2 233.319 2.293 20 0 BEADLP COCc1cccc(C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000656782361 411359657 /nfs/dbraw/zinc/35/96/57/411359657.db2.gz FJSCRQIQKMUXPR-UHFFFAOYSA-N 2 2 236.359 2.002 20 0 BEADLP COCc1cccc(C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000656782361 411359660 /nfs/dbraw/zinc/35/96/60/411359660.db2.gz FJSCRQIQKMUXPR-UHFFFAOYSA-N 2 2 236.359 2.002 20 0 BEADLP CC(C)([NH3+])C[NH+]1CCC(c2ccco2)CC1 ZINC000656787538 411365896 /nfs/dbraw/zinc/36/58/96/411365896.db2.gz MATOKLWDHWXVRD-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2F)CCCC1 ZINC000656788428 411366871 /nfs/dbraw/zinc/36/68/71/411366871.db2.gz OZJDDJGLFNHNLE-UHFFFAOYSA-N 2 2 240.297 2.326 20 0 BEADLP C[C@@H](CC1CCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313264672 411372233 /nfs/dbraw/zinc/37/22/33/411372233.db2.gz NQLRMUNUOOSYSK-NSHDSACASA-N 2 2 221.348 2.131 20 0 BEADLP Cc1cccc(NCC[N@H+]2CC=C(C)CC2)[nH+]1 ZINC000354864558 168112231 /nfs/dbraw/zinc/11/22/31/168112231.db2.gz ZJMAKDOVDIOGLB-UHFFFAOYSA-N 2 2 231.343 2.454 20 0 BEADLP Cc1cccc(NCC[N@@H+]2CC=C(C)CC2)[nH+]1 ZINC000354864558 168112233 /nfs/dbraw/zinc/11/22/33/168112233.db2.gz ZJMAKDOVDIOGLB-UHFFFAOYSA-N 2 2 231.343 2.454 20 0 BEADLP C[C@H]1Cc2[nH+]cn(Cc3cn(C)c[nH+]3)c2C[C@@H]1C ZINC000660673434 411381026 /nfs/dbraw/zinc/38/10/26/411381026.db2.gz TYPFAIJKPZXVCB-QWRGUYRKSA-N 2 2 244.342 2.036 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(C)CC2)C1 ZINC000053389483 168162575 /nfs/dbraw/zinc/16/25/75/168162575.db2.gz DPURQCVDSXWFNU-ROKHWSDSSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(C)CC2)C1 ZINC000053389483 168162577 /nfs/dbraw/zinc/16/25/77/168162577.db2.gz DPURQCVDSXWFNU-ROKHWSDSSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)CC1 ZINC000037157180 168164222 /nfs/dbraw/zinc/16/42/22/168164222.db2.gz NVUZMZLOIGEVCC-CPCZMJQVSA-N 2 2 221.348 2.440 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000337667836 168180208 /nfs/dbraw/zinc/18/02/08/168180208.db2.gz UJBVGVLIMSZVJQ-QLFBSQMISA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000304570524 168180310 /nfs/dbraw/zinc/18/03/10/168180310.db2.gz WYTCSBOEQVUHPM-QWHCGFSZSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000040771371 168181801 /nfs/dbraw/zinc/18/18/01/168181801.db2.gz NQUMZQNKSLQBGF-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP CCC(C)(C)[N@H+](C)CCc1c[nH+]cn1C ZINC000298239637 168287222 /nfs/dbraw/zinc/28/72/22/168287222.db2.gz CEGHNAYXTJPJMA-UHFFFAOYSA-N 2 2 209.337 2.083 20 0 BEADLP CCC(C)(C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000298239637 168287223 /nfs/dbraw/zinc/28/72/23/168287223.db2.gz CEGHNAYXTJPJMA-UHFFFAOYSA-N 2 2 209.337 2.083 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](C)C2)n1C ZINC000657300104 411455945 /nfs/dbraw/zinc/45/59/45/411455945.db2.gz IIGHGXPDNJQTPI-PWSUYJOCSA-N 2 2 221.348 2.397 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2nccs2)[C@H]1CC[NH3+] ZINC000404403908 411394149 /nfs/dbraw/zinc/39/41/49/411394149.db2.gz SYLNTTJOBFVCPV-MNOVXSKESA-N 2 2 239.388 2.092 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2nccs2)[C@H]1CC[NH3+] ZINC000404403908 411394150 /nfs/dbraw/zinc/39/41/50/411394150.db2.gz SYLNTTJOBFVCPV-MNOVXSKESA-N 2 2 239.388 2.092 20 0 BEADLP CC[N@@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000267270638 411419835 /nfs/dbraw/zinc/41/98/35/411419835.db2.gz MHFYXUYMHKBDLG-UHFFFAOYSA-N 2 2 239.750 2.267 20 0 BEADLP CC[N@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000267270638 411419840 /nfs/dbraw/zinc/41/98/40/411419840.db2.gz MHFYXUYMHKBDLG-UHFFFAOYSA-N 2 2 239.750 2.267 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1c(C)cccc1C ZINC000126173433 411420338 /nfs/dbraw/zinc/42/03/38/411420338.db2.gz HSNYVQYURVNKIU-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1c(C)cccc1C ZINC000126173433 411420342 /nfs/dbraw/zinc/42/03/42/411420342.db2.gz HSNYVQYURVNKIU-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1F ZINC000653609464 411438678 /nfs/dbraw/zinc/43/86/78/411438678.db2.gz OGWVOMYCQXEPIT-DGCLKSJQSA-N 2 2 239.338 2.033 20 0 BEADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1F ZINC000653609464 411438682 /nfs/dbraw/zinc/43/86/82/411438682.db2.gz OGWVOMYCQXEPIT-DGCLKSJQSA-N 2 2 239.338 2.033 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(F)cc2)n1C ZINC000657286168 411444513 /nfs/dbraw/zinc/44/45/13/411444513.db2.gz SSAIHUFVUPHCOZ-UHFFFAOYSA-N 2 2 233.290 2.157 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000128911179 411447257 /nfs/dbraw/zinc/44/72/57/411447257.db2.gz WBVZOWJKJRQBAH-CQSZACIVSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000128911179 411447260 /nfs/dbraw/zinc/44/72/60/411447260.db2.gz WBVZOWJKJRQBAH-CQSZACIVSA-N 2 2 230.355 2.358 20 0 BEADLP c1csc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657290844 411452312 /nfs/dbraw/zinc/45/23/12/411452312.db2.gz UBWGRBGRYSBEOB-UHFFFAOYSA-N 2 2 233.340 2.181 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccnc1 ZINC000657291982 411453209 /nfs/dbraw/zinc/45/32/09/411453209.db2.gz FGYUZKOHMMKUNZ-NSHDSACASA-N 2 2 242.326 2.075 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657330449 411467234 /nfs/dbraw/zinc/46/72/34/411467234.db2.gz WASWFTFULHUVAN-MNOVXSKESA-N 2 2 221.348 2.354 20 0 BEADLP CCC(CC)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353205 411474026 /nfs/dbraw/zinc/47/40/26/411474026.db2.gz GTFJDJHLSSCNPC-UHFFFAOYSA-N 2 2 221.348 2.355 20 0 BEADLP C[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350876 411476241 /nfs/dbraw/zinc/47/62/41/411476241.db2.gz GFIUPIBGOZSXTE-PWSUYJOCSA-N 2 2 219.332 2.108 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657362032 411479475 /nfs/dbraw/zinc/47/94/75/411479475.db2.gz VYVOFFLTOQBHRU-LLVKDONJSA-N 2 2 233.359 2.498 20 0 BEADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CO1 ZINC000659882691 411489627 /nfs/dbraw/zinc/48/96/27/411489627.db2.gz LJZDGWYWOOPSJH-QWHCGFSZSA-N 2 2 249.358 2.088 20 0 BEADLP CC1(C)C[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CO1 ZINC000659882691 411489628 /nfs/dbraw/zinc/48/96/28/411489628.db2.gz LJZDGWYWOOPSJH-QWHCGFSZSA-N 2 2 249.358 2.088 20 0 BEADLP CCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657388628 411490042 /nfs/dbraw/zinc/49/00/42/411490042.db2.gz MEJDVDNSGGQBAM-UHFFFAOYSA-N 2 2 219.332 2.109 20 0 BEADLP CC(C)[C@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000230984965 322928611 /nfs/dbraw/zinc/92/86/11/322928611.db2.gz HAFVCXQMOHQUBH-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP FC1(F)CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657398976 411495501 /nfs/dbraw/zinc/49/55/01/411495501.db2.gz QHLSMWTYUJIGJM-SECBINFHSA-N 2 2 241.285 2.107 20 0 BEADLP Cc1cc(C)[nH+]c(NCc2c[nH+]c3n2CCC3)c1 ZINC000657412756 411498536 /nfs/dbraw/zinc/49/85/36/411498536.db2.gz DQXPAJBVOGZJEF-UHFFFAOYSA-N 2 2 242.326 2.453 20 0 BEADLP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077857 411534247 /nfs/dbraw/zinc/53/42/47/411534247.db2.gz QOWOZFALETTWOD-NEPJUHHUSA-N 2 2 249.358 2.157 20 0 BEADLP CC1(C)C[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CO1 ZINC000660077857 411534249 /nfs/dbraw/zinc/53/42/49/411534249.db2.gz QOWOZFALETTWOD-NEPJUHHUSA-N 2 2 249.358 2.157 20 0 BEADLP COCc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000655792464 411514632 /nfs/dbraw/zinc/51/46/32/411514632.db2.gz ZKIOMRANQACESK-UHFFFAOYSA-N 2 2 248.370 2.015 20 0 BEADLP CC1(C2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)CC1 ZINC000657485919 411529951 /nfs/dbraw/zinc/52/99/51/411529951.db2.gz VINLWAQEMGXLPN-UHFFFAOYSA-N 2 2 231.343 2.252 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)C[C@H]1C ZINC000353749725 170009046 /nfs/dbraw/zinc/00/90/46/170009046.db2.gz MBOCBIXXFIQSQY-ZIAGYGMSSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2C)C[C@H]1C ZINC000353749725 170009048 /nfs/dbraw/zinc/00/90/48/170009048.db2.gz MBOCBIXXFIQSQY-ZIAGYGMSSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2C)C[C@H]1C ZINC000353749725 170009049 /nfs/dbraw/zinc/00/90/49/170009049.db2.gz MBOCBIXXFIQSQY-ZIAGYGMSSA-N 2 2 249.402 2.330 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2C)C[C@H]1C ZINC000353749725 170009050 /nfs/dbraw/zinc/00/90/50/170009050.db2.gz MBOCBIXXFIQSQY-ZIAGYGMSSA-N 2 2 249.402 2.330 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328393378 170013798 /nfs/dbraw/zinc/01/37/98/170013798.db2.gz YNPYQIWFDXYXNP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328393378 170013799 /nfs/dbraw/zinc/01/37/99/170013799.db2.gz YNPYQIWFDXYXNP-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000328151194 170014109 /nfs/dbraw/zinc/01/41/09/170014109.db2.gz DNYAIWNWCCHJPY-WCQYABFASA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000328151194 170014111 /nfs/dbraw/zinc/01/41/11/170014111.db2.gz DNYAIWNWCCHJPY-WCQYABFASA-N 2 2 234.343 2.137 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328508652 170014413 /nfs/dbraw/zinc/01/44/13/170014413.db2.gz MNFAHWCGMQPNME-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328508652 170014414 /nfs/dbraw/zinc/01/44/14/170014414.db2.gz MNFAHWCGMQPNME-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000334578395 170014671 /nfs/dbraw/zinc/01/46/71/170014671.db2.gz JFMAIZJKSJPGMS-ABAIWWIYSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000334578395 170014672 /nfs/dbraw/zinc/01/46/72/170014672.db2.gz JFMAIZJKSJPGMS-ABAIWWIYSA-N 2 2 248.345 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccnc2)C[C@H]1C ZINC000353749902 170018830 /nfs/dbraw/zinc/01/88/30/170018830.db2.gz NCGKFFDTAPTPOX-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccnc2)C[C@H]1C ZINC000353749902 170018831 /nfs/dbraw/zinc/01/88/31/170018831.db2.gz NCGKFFDTAPTPOX-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccnc2)C[C@H]1C ZINC000353749902 170018832 /nfs/dbraw/zinc/01/88/32/170018832.db2.gz NCGKFFDTAPTPOX-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccnc2)C[C@H]1C ZINC000353749902 170018833 /nfs/dbraw/zinc/01/88/33/170018833.db2.gz NCGKFFDTAPTPOX-HIFRSBDPSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000328531958 170022179 /nfs/dbraw/zinc/02/21/79/170022179.db2.gz XYIYAGCKTZXSCH-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000328531958 170022180 /nfs/dbraw/zinc/02/21/80/170022180.db2.gz XYIYAGCKTZXSCH-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336905094 170022492 /nfs/dbraw/zinc/02/24/92/170022492.db2.gz WMPKSYTVKZSBJS-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000336905094 170022494 /nfs/dbraw/zinc/02/24/94/170022494.db2.gz WMPKSYTVKZSBJS-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C1CC3(CCC3)C1)CCC2 ZINC000657503703 411539322 /nfs/dbraw/zinc/53/93/22/411539322.db2.gz RZUSFOUQJJHIQO-UHFFFAOYSA-N 2 2 231.343 2.252 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCSCC(C)C)C1 ZINC000309488381 170029307 /nfs/dbraw/zinc/02/93/07/170029307.db2.gz WGHBQQGGXYKHKA-OLZOCXBDSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCSCC(C)C)C1 ZINC000309488381 170029308 /nfs/dbraw/zinc/02/93/08/170029308.db2.gz WGHBQQGGXYKHKA-OLZOCXBDSA-N 2 2 244.448 2.305 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)CC)C1 ZINC000309064991 170030052 /nfs/dbraw/zinc/03/00/52/170030052.db2.gz YUOHIIQXZXWYSV-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)CC)C1 ZINC000309064991 170030053 /nfs/dbraw/zinc/03/00/53/170030053.db2.gz YUOHIIQXZXWYSV-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000309891408 170030429 /nfs/dbraw/zinc/03/04/29/170030429.db2.gz CSHTUIZTHDCYNN-HHTDUIENSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000309891408 170030430 /nfs/dbraw/zinc/03/04/30/170030430.db2.gz CSHTUIZTHDCYNN-HHTDUIENSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000361030926 170031833 /nfs/dbraw/zinc/03/18/33/170031833.db2.gz LUGIRRALJDNLBR-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000361030926 170031834 /nfs/dbraw/zinc/03/18/34/170031834.db2.gz LUGIRRALJDNLBR-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+]CCc2cccc(C)c2)[C@@H](C)C1 ZINC000358104903 170034603 /nfs/dbraw/zinc/03/46/03/170034603.db2.gz ZVJZNZSCMOFSCT-HOCLYGCPSA-N 2 2 246.398 2.467 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000358352915 170036712 /nfs/dbraw/zinc/03/67/12/170036712.db2.gz OJBWNGKJTPTDCJ-GXTWGEPZSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000358352915 170036713 /nfs/dbraw/zinc/03/67/13/170036713.db2.gz OJBWNGKJTPTDCJ-GXTWGEPZSA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000361030924 170037357 /nfs/dbraw/zinc/03/73/57/170037357.db2.gz LUGIRRALJDNLBR-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000361030924 170037359 /nfs/dbraw/zinc/03/73/59/170037359.db2.gz LUGIRRALJDNLBR-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H](C)C2)C1 ZINC000336778097 170038138 /nfs/dbraw/zinc/03/81/38/170038138.db2.gz KIKPLIJMXLDSDA-IGQOVBAYSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H](C)C2)C1 ZINC000336778097 170038139 /nfs/dbraw/zinc/03/81/39/170038139.db2.gz KIKPLIJMXLDSDA-IGQOVBAYSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1 ZINC000309959447 170038237 /nfs/dbraw/zinc/03/82/37/170038237.db2.gz KHOIVUJNWKVACA-IVZWLZJFSA-N 2 2 238.297 2.115 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)C(F)(F)F)C1 ZINC000309959447 170038238 /nfs/dbraw/zinc/03/82/38/170038238.db2.gz KHOIVUJNWKVACA-IVZWLZJFSA-N 2 2 238.297 2.115 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000657525203 411543041 /nfs/dbraw/zinc/54/30/41/411543041.db2.gz VKRDRXKBRJQZJI-CYBMUJFWSA-N 2 2 233.359 2.044 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000657525203 411543043 /nfs/dbraw/zinc/54/30/43/411543043.db2.gz VKRDRXKBRJQZJI-CYBMUJFWSA-N 2 2 233.359 2.044 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)O1 ZINC000657526463 411543079 /nfs/dbraw/zinc/54/30/79/411543079.db2.gz HRGRARZVOGPSRK-VOAKCMCISA-N 2 2 240.391 2.015 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)[C@H](C)O1 ZINC000657526463 411543080 /nfs/dbraw/zinc/54/30/80/411543080.db2.gz HRGRARZVOGPSRK-VOAKCMCISA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000657527041 411543816 /nfs/dbraw/zinc/54/38/16/411543816.db2.gz PIXWDUWNDXMNJK-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000657527041 411543818 /nfs/dbraw/zinc/54/38/18/411543818.db2.gz PIXWDUWNDXMNJK-VXGBXAGGSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849048 411536832 /nfs/dbraw/zinc/53/68/32/411536832.db2.gz LZHZSRUAJDGQFS-YUTCNCBUSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849048 411536833 /nfs/dbraw/zinc/53/68/33/411536833.db2.gz LZHZSRUAJDGQFS-YUTCNCBUSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn[nH]c1 ZINC000655849150 411537412 /nfs/dbraw/zinc/53/74/12/411537412.db2.gz PNHHHIVCUOWFJE-UBHSHLNASA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cn[nH]c1 ZINC000655849150 411537415 /nfs/dbraw/zinc/53/74/15/411537415.db2.gz PNHHHIVCUOWFJE-UBHSHLNASA-N 2 2 248.374 2.077 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849397 411537973 /nfs/dbraw/zinc/53/79/73/411537973.db2.gz UYFXQPXKTFHPSG-DGAVXFQQSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849397 411537976 /nfs/dbraw/zinc/53/79/76/411537976.db2.gz UYFXQPXKTFHPSG-DGAVXFQQSA-N 2 2 240.391 2.016 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000044651749 170116199 /nfs/dbraw/zinc/11/61/99/170116199.db2.gz ZYJOAFFXYTWRAF-MRVPVSSYSA-N 2 2 227.377 2.020 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000657562388 411552255 /nfs/dbraw/zinc/55/22/55/411552255.db2.gz HNJBLQGRHLHPJB-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CCO1 ZINC000657562388 411552256 /nfs/dbraw/zinc/55/22/56/411552256.db2.gz HNJBLQGRHLHPJB-AGIUHOORSA-N 2 2 240.391 2.016 20 0 BEADLP CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289474230 170166874 /nfs/dbraw/zinc/16/68/74/170166874.db2.gz XINCUIPPVGOFBS-QWHCGFSZSA-N 2 2 204.317 2.041 20 0 BEADLP CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289474230 170166875 /nfs/dbraw/zinc/16/68/75/170166875.db2.gz XINCUIPPVGOFBS-QWHCGFSZSA-N 2 2 204.317 2.041 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1C ZINC000657626477 411565505 /nfs/dbraw/zinc/56/55/05/411565505.db2.gz KPURCNCNYVYNLP-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1C ZINC000657626477 411565508 /nfs/dbraw/zinc/56/55/08/411565508.db2.gz KPURCNCNYVYNLP-HOCLYGCPSA-N 2 2 246.398 2.386 20 0 BEADLP CCOCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336680041 170373480 /nfs/dbraw/zinc/37/34/80/170373480.db2.gz CITPCQHPZCSILL-GFCCVEGCSA-N 2 2 237.347 2.016 20 0 BEADLP CCOCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336680041 170373481 /nfs/dbraw/zinc/37/34/81/170373481.db2.gz CITPCQHPZCSILL-GFCCVEGCSA-N 2 2 237.347 2.016 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@@H+]1C1CC1 ZINC000657664516 411577193 /nfs/dbraw/zinc/57/71/93/411577193.db2.gz KVIQBCJPENCBOE-SCVCMEIPSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC2(F)F)C[N@H+]1C1CC1 ZINC000657664516 411577194 /nfs/dbraw/zinc/57/71/94/411577194.db2.gz KVIQBCJPENCBOE-SCVCMEIPSA-N 2 2 244.329 2.247 20 0 BEADLP CC[C@@](C)([NH2+]Cc1c[nH+]c(C)n1C)C1CC1 ZINC000657690008 411579197 /nfs/dbraw/zinc/57/91/97/411579197.db2.gz REVWXWKHLWOVMG-CYBMUJFWSA-N 2 2 221.348 2.397 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657679746 411580684 /nfs/dbraw/zinc/58/06/84/411580684.db2.gz FDTUTHBDHSVCOO-GFCCVEGCSA-N 2 2 219.332 2.108 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000657741731 411589800 /nfs/dbraw/zinc/58/98/00/411589800.db2.gz ICBURCUTZNJCNW-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000657741731 411589802 /nfs/dbraw/zinc/58/98/02/411589802.db2.gz ICBURCUTZNJCNW-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP C[NH+](C)CC1([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000660463626 411589921 /nfs/dbraw/zinc/58/99/21/411589921.db2.gz DBWUHEOVLBJSSB-CLLJXQQHSA-N 2 2 222.376 2.106 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+]CC1=CCCC1 ZINC000657749564 411592345 /nfs/dbraw/zinc/59/23/45/411592345.db2.gz GNRUGMJFCONPAI-UHFFFAOYSA-N 2 2 231.343 2.348 20 0 BEADLP CC1(C)CC([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657801953 411599467 /nfs/dbraw/zinc/59/94/67/411599467.db2.gz ONOISZQBWTVQJC-UHFFFAOYSA-N 2 2 219.332 2.108 20 0 BEADLP COc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000657804980 411600301 /nfs/dbraw/zinc/60/03/01/411600301.db2.gz PWQMLAZQILAOEV-FZMZJTMJSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000657804980 411600303 /nfs/dbraw/zinc/60/03/03/411600303.db2.gz PWQMLAZQILAOEV-FZMZJTMJSA-N 2 2 248.370 2.043 20 0 BEADLP c1cn(CCC[NH2+][C@H]2CCCSCC2)c[nH+]1 ZINC000657819976 411606649 /nfs/dbraw/zinc/60/66/49/411606649.db2.gz ZJLSYKOMRJHWCW-LBPRGKRZSA-N 2 2 239.388 2.149 20 0 BEADLP CCOC1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000657845406 411610736 /nfs/dbraw/zinc/61/07/36/411610736.db2.gz NWOJXOMEGVWVJT-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000657845406 411610737 /nfs/dbraw/zinc/61/07/37/411610737.db2.gz NWOJXOMEGVWVJT-ROKHWSDSSA-N 2 2 240.391 2.018 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)CCC1 ZINC000657873811 411614714 /nfs/dbraw/zinc/61/47/14/411614714.db2.gz VJFUTXBDQMXCPI-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)CCC1 ZINC000657873811 411614716 /nfs/dbraw/zinc/61/47/16/411614716.db2.gz VJFUTXBDQMXCPI-RYUDHWBXSA-N 2 2 240.391 2.016 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657872523 411614821 /nfs/dbraw/zinc/61/48/21/411614821.db2.gz QOAIAFGLIBOXBC-RYUDHWBXSA-N 2 2 240.416 2.098 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000657872523 411614823 /nfs/dbraw/zinc/61/48/23/411614823.db2.gz QOAIAFGLIBOXBC-RYUDHWBXSA-N 2 2 240.416 2.098 20 0 BEADLP c1cc2c(cc1NC[C@@]13C[C@@H]1C[NH2+]C3)CCC[NH2+]2 ZINC000663494760 411674232 /nfs/dbraw/zinc/67/42/32/411674232.db2.gz RQYBNGQNUKSRMM-DOMZBBRYSA-N 2 2 243.354 2.066 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000663509126 411689668 /nfs/dbraw/zinc/68/96/68/411689668.db2.gz WQSNXIBCZKFSDM-ZDUSSCGKSA-N 2 2 220.360 2.309 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000663509125 411690907 /nfs/dbraw/zinc/69/09/07/411690907.db2.gz WQSNXIBCZKFSDM-CYBMUJFWSA-N 2 2 220.360 2.309 20 0 BEADLP CCSc1cccc(C[NH2+][C@H](C)C[NH2+]C)c1 ZINC000663513792 411694929 /nfs/dbraw/zinc/69/49/29/411694929.db2.gz MNFIJXVWAGFICF-LLVKDONJSA-N 2 2 238.400 2.496 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000163869805 487620512 /nfs/dbraw/zinc/62/05/12/487620512.db2.gz LILAMJXMVAZYOE-NWDGAFQWSA-N 2 2 231.343 2.427 20 0 BEADLP Cc1cc[nH+]c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000163869805 487620516 /nfs/dbraw/zinc/62/05/16/487620516.db2.gz LILAMJXMVAZYOE-NWDGAFQWSA-N 2 2 231.343 2.427 20 0 BEADLP c1coc(C2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000661162588 411724332 /nfs/dbraw/zinc/72/43/32/411724332.db2.gz SYNQESGMCMFCHJ-UHFFFAOYSA-N 2 2 245.326 2.356 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc[nH+]1 ZINC000664137040 411867692 /nfs/dbraw/zinc/86/76/92/411867692.db2.gz LJSPEANYBQKTGS-GFCCVEGCSA-N 2 2 248.374 2.317 20 0 BEADLP Cc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc[nH+]1 ZINC000664137040 411867695 /nfs/dbraw/zinc/86/76/95/411867695.db2.gz LJSPEANYBQKTGS-GFCCVEGCSA-N 2 2 248.374 2.317 20 0 BEADLP CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc[nH+]c1 ZINC000662129661 411996493 /nfs/dbraw/zinc/99/64/93/411996493.db2.gz JVZQMFVWKXLHED-YHWZYXNKSA-N 2 2 219.332 2.146 20 0 BEADLP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc[nH+]c1 ZINC000662129661 411996495 /nfs/dbraw/zinc/99/64/95/411996495.db2.gz JVZQMFVWKXLHED-YHWZYXNKSA-N 2 2 219.332 2.146 20 0 BEADLP CCC[N@H+](C)CC(C)(C)Nc1cc(C)[nH+]cn1 ZINC000664609947 411998384 /nfs/dbraw/zinc/99/83/84/411998384.db2.gz UDTNHDJEVURYSE-UHFFFAOYSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@@H+](C)CC(C)(C)Nc1cc(C)[nH+]cn1 ZINC000664609947 411998388 /nfs/dbraw/zinc/99/83/88/411998388.db2.gz UDTNHDJEVURYSE-UHFFFAOYSA-N 2 2 236.363 2.317 20 0 BEADLP C[N@H+](CCC[NH3+])Cc1cc(-c2ccccc2)on1 ZINC000133789972 411954452 /nfs/dbraw/zinc/95/44/52/411954452.db2.gz YYAZLUDMAHDJAJ-UHFFFAOYSA-N 2 2 245.326 2.122 20 0 BEADLP C[N@@H+](CCC[NH3+])Cc1cc(-c2ccccc2)on1 ZINC000133789972 411954455 /nfs/dbraw/zinc/95/44/55/411954455.db2.gz YYAZLUDMAHDJAJ-UHFFFAOYSA-N 2 2 245.326 2.122 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662241872 412037231 /nfs/dbraw/zinc/03/72/31/412037231.db2.gz XZSFSNFJANKKBK-LSDHHAIUSA-N 2 2 244.382 2.400 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662241872 412037237 /nfs/dbraw/zinc/03/72/37/412037237.db2.gz XZSFSNFJANKKBK-LSDHHAIUSA-N 2 2 244.382 2.400 20 0 BEADLP CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000662247197 412045267 /nfs/dbraw/zinc/04/52/67/412045267.db2.gz VHUUSLAFMWWLCV-GHMZBOCLSA-N 2 2 234.334 2.352 20 0 BEADLP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000662247197 412045269 /nfs/dbraw/zinc/04/52/69/412045269.db2.gz VHUUSLAFMWWLCV-GHMZBOCLSA-N 2 2 234.334 2.352 20 0 BEADLP CCc1nocc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000662248100 412046344 /nfs/dbraw/zinc/04/63/44/412046344.db2.gz SWUGVRCQTDWEFB-LBPRGKRZSA-N 2 2 239.363 2.042 20 0 BEADLP CCc1nocc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000662248100 412046346 /nfs/dbraw/zinc/04/63/46/412046346.db2.gz SWUGVRCQTDWEFB-LBPRGKRZSA-N 2 2 239.363 2.042 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(C2CC2)no1 ZINC000662249879 412047635 /nfs/dbraw/zinc/04/76/35/412047635.db2.gz UCBAZRLFKNQKCS-ZDUSSCGKSA-N 2 2 237.347 2.015 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000132121281 171001457 /nfs/dbraw/zinc/00/14/57/171001457.db2.gz RYZSRBUZGZJLGB-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000336766152 171042179 /nfs/dbraw/zinc/04/21/79/171042179.db2.gz RIACPNCLAMBDQG-OLZOCXBDSA-N 2 2 210.365 2.251 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000336737504 171044992 /nfs/dbraw/zinc/04/49/92/171044992.db2.gz QEVDUCXLNCQWKU-UTUOFQBUSA-N 2 2 207.321 2.050 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000308947461 171058622 /nfs/dbraw/zinc/05/86/22/171058622.db2.gz ODMSZBGSYAHZDM-DMDPSCGWSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000308947461 171058623 /nfs/dbraw/zinc/05/86/23/171058623.db2.gz ODMSZBGSYAHZDM-DMDPSCGWSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000310033067 171058910 /nfs/dbraw/zinc/05/89/10/171058910.db2.gz RTTUDAHXSURNJV-UPJWGTAASA-N 2 2 242.432 2.202 20 0 BEADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[NH+](C)C ZINC000309099300 171116549 /nfs/dbraw/zinc/11/65/49/171116549.db2.gz GCCFXXBWNBWBNQ-YNEHKIRRSA-N 2 2 212.381 2.352 20 0 BEADLP C(CC1CCC1)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274425 412065001 /nfs/dbraw/zinc/06/50/01/412065001.db2.gz HWGNUBAGNHDACV-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP C(CC1CCC1)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662274425 412065006 /nfs/dbraw/zinc/06/50/06/412065006.db2.gz HWGNUBAGNHDACV-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000360461812 171155961 /nfs/dbraw/zinc/15/59/61/171155961.db2.gz VVOHZXUAQRLBMC-WCQYABFASA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CCn1cc[nH+]c1C ZINC000360461812 171155963 /nfs/dbraw/zinc/15/59/63/171155963.db2.gz VVOHZXUAQRLBMC-WCQYABFASA-N 2 2 221.348 2.312 20 0 BEADLP CC[C@H](C(=O)Nc1cc[nH+]c(C)c1)[NH+](CC)CC ZINC000266837939 171235353 /nfs/dbraw/zinc/23/53/53/171235353.db2.gz MTICSPNEJKLDBV-CYBMUJFWSA-N 2 2 249.358 2.449 20 0 BEADLP CC[C@H](C)C[NH2+]CC[NH+]1CCCCCC1 ZINC000040767653 171284765 /nfs/dbraw/zinc/28/47/65/171284765.db2.gz HMHYSTZTLDQPCL-ZDUSSCGKSA-N 2 2 212.381 2.498 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000308954355 171298123 /nfs/dbraw/zinc/29/81/23/171298123.db2.gz QCLRYEVGGRVYSN-QNWHQSFQSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000308954355 171298126 /nfs/dbraw/zinc/29/81/26/171298126.db2.gz QCLRYEVGGRVYSN-QNWHQSFQSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341662728 171318458 /nfs/dbraw/zinc/31/84/58/171318458.db2.gz VJIHINDCYMKKAX-WCQYABFASA-N 2 2 220.316 2.333 20 0 BEADLP CC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000341662728 171318460 /nfs/dbraw/zinc/31/84/60/171318460.db2.gz VJIHINDCYMKKAX-WCQYABFASA-N 2 2 220.316 2.333 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662305072 412090104 /nfs/dbraw/zinc/09/01/04/412090104.db2.gz YEKSYQIHOOJMDE-CDWSIMAYSA-N 2 2 234.318 2.310 20 0 BEADLP C[C@H](c1cccc(F)c1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305072 412090107 /nfs/dbraw/zinc/09/01/07/412090107.db2.gz YEKSYQIHOOJMDE-CDWSIMAYSA-N 2 2 234.318 2.310 20 0 BEADLP CSc1ccccc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662305910 412090632 /nfs/dbraw/zinc/09/06/32/412090632.db2.gz OGYPTYXWGNKSOZ-UHFFFAOYSA-N 2 2 248.395 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305910 412090635 /nfs/dbraw/zinc/09/06/35/412090635.db2.gz OGYPTYXWGNKSOZ-UHFFFAOYSA-N 2 2 248.395 2.332 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC000662305060 412091128 /nfs/dbraw/zinc/09/11/28/412091128.db2.gz XTNNUNRYJXLJMH-CIQACWJJSA-N 2 2 246.329 2.236 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC000662305060 412091131 /nfs/dbraw/zinc/09/11/31/412091131.db2.gz XTNNUNRYJXLJMH-CIQACWJJSA-N 2 2 246.329 2.236 20 0 BEADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC000662305590 412091459 /nfs/dbraw/zinc/09/14/59/412091459.db2.gz KQZPBLPTBWFWTO-UHFFFAOYSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000662305590 412091461 /nfs/dbraw/zinc/09/14/61/412091461.db2.gz KQZPBLPTBWFWTO-UHFFFAOYSA-N 2 2 242.366 2.098 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(F)c(C[NH+](C)C)c1 ZINC000665199602 412131803 /nfs/dbraw/zinc/13/18/03/412131803.db2.gz OVQNWNVTENDBTE-UHFFFAOYSA-N 2 2 233.290 2.288 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccco1 ZINC000665250352 412196146 /nfs/dbraw/zinc/19/61/46/412196146.db2.gz OYEPFKQKFDLGCW-JTQLQIEISA-N 2 2 208.305 2.202 20 0 BEADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000122480635 171526591 /nfs/dbraw/zinc/52/65/91/171526591.db2.gz CYLIVZFJQQALKJ-STQMWFEESA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000665276705 412218474 /nfs/dbraw/zinc/21/84/74/412218474.db2.gz KQSDSHFHFPXRFG-GRZMOONWSA-N 2 2 222.357 2.151 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000665276341 412218910 /nfs/dbraw/zinc/21/89/10/412218910.db2.gz AIGOXROBRAMXIE-XSRFYTQQSA-N 2 2 236.384 2.459 20 0 BEADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000665276804 412219410 /nfs/dbraw/zinc/21/94/10/412219410.db2.gz NCRLLOFHINEOPC-CDWSIMAYSA-N 2 2 234.318 2.228 20 0 BEADLP CCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccnc1 ZINC000665279064 412223737 /nfs/dbraw/zinc/22/37/37/412223737.db2.gz WDHGWECETQOARS-BLZCZZARSA-N 2 2 245.370 2.264 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000665283716 412229927 /nfs/dbraw/zinc/22/99/27/412229927.db2.gz SUFVRJHMSPORKC-ILXRZTDVSA-N 3 2 247.386 2.094 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000665294688 412233909 /nfs/dbraw/zinc/23/39/09/412233909.db2.gz UIMRLYFKGYLPSB-NEPJUHHUSA-N 2 2 206.333 2.254 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000665293700 412239126 /nfs/dbraw/zinc/23/91/26/412239126.db2.gz BDKDZYILQNXQSO-NXEZZACHSA-N 2 2 240.322 2.093 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1sccc1C ZINC000665294438 412239488 /nfs/dbraw/zinc/23/94/88/412239488.db2.gz OVOINEBLHMUKPU-VHSXEESVSA-N 2 2 212.362 2.315 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000665294620 412240423 /nfs/dbraw/zinc/24/04/23/412240423.db2.gz SAYNLSWPLBPJSS-RKDXNWHRSA-N 2 2 228.286 2.223 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000665294619 412240686 /nfs/dbraw/zinc/24/06/86/412240686.db2.gz SAYNLSWPLBPJSS-IUCAKERBSA-N 2 2 228.286 2.223 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000665297966 412245239 /nfs/dbraw/zinc/24/52/39/412245239.db2.gz PERSRCVROYABEA-FZMZJTMJSA-N 2 2 248.370 2.270 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000665296852 412245335 /nfs/dbraw/zinc/24/53/35/412245335.db2.gz YTTJXGGNXCUYHT-SUNKGSAMSA-N 2 2 218.344 2.117 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000665297383 412245405 /nfs/dbraw/zinc/24/54/05/412245405.db2.gz FBOJKIUDPVENKY-NEPJUHHUSA-N 2 2 243.354 2.493 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000665298496 412246392 /nfs/dbraw/zinc/24/63/92/412246392.db2.gz XAHLJSWPYJFIFW-RISCZKNCSA-N 2 2 233.359 2.120 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000665298495 412246772 /nfs/dbraw/zinc/24/67/72/412246772.db2.gz XAHLJSWPYJFIFW-FZMZJTMJSA-N 2 2 233.359 2.120 20 0 BEADLP CCc1[nH+]ccn1Cc1[nH+]ccn1C(F)F ZINC000108658054 172027178 /nfs/dbraw/zinc/02/71/78/172027178.db2.gz XGMSOYBKLPHTAC-UHFFFAOYSA-N 2 2 226.230 2.085 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336781733 172397283 /nfs/dbraw/zinc/39/72/83/172397283.db2.gz VLFRHDRFFPDLJF-OUCADQQQSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000336776184 172397382 /nfs/dbraw/zinc/39/73/82/172397382.db2.gz DZJXPTMYYBSOSD-STQMWFEESA-N 2 2 224.392 2.495 20 0 BEADLP Cn1c2ccccc2[nH+]c1NCC(C)(C)[NH+](C)C ZINC000079046246 172398671 /nfs/dbraw/zinc/39/86/71/172398671.db2.gz HGCFQRREUGHJGJ-UHFFFAOYSA-N 2 2 246.358 2.325 20 0 BEADLP C[NH+]1CCC([C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270217630 173000083 /nfs/dbraw/zinc/00/00/83/173000083.db2.gz SWCUNYUIWLNQMX-CQSZACIVSA-N 2 2 245.370 2.250 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000192736570 173034835 /nfs/dbraw/zinc/03/48/35/173034835.db2.gz CMKPQSAMIDOCSL-DGCLKSJQSA-N 2 2 234.343 2.341 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000192736570 173034838 /nfs/dbraw/zinc/03/48/38/173034838.db2.gz CMKPQSAMIDOCSL-DGCLKSJQSA-N 2 2 234.343 2.341 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335596529 173034855 /nfs/dbraw/zinc/03/48/55/173034855.db2.gz XYRLNTGIBCLBOP-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335596529 173034857 /nfs/dbraw/zinc/03/48/57/173034857.db2.gz XYRLNTGIBCLBOP-CYBMUJFWSA-N 2 2 222.376 2.393 20 0 BEADLP C[N@@H+]1CC[C@@H]([NH2+]C(C)(C)CC(C)(C)C)C1 ZINC000061987774 173123861 /nfs/dbraw/zinc/12/38/61/173123861.db2.gz JCGGILHQLDXUBQ-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@H+]1CC[C@@H]([NH2+]C(C)(C)CC(C)(C)C)C1 ZINC000061987774 173123864 /nfs/dbraw/zinc/12/38/64/173123864.db2.gz JCGGILHQLDXUBQ-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CCF)C[C@H]1c1ccccc1 ZINC000340379736 173152234 /nfs/dbraw/zinc/15/22/34/173152234.db2.gz STYZMLFLNPMCLX-KBPBESRZSA-N 2 2 236.334 2.381 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CCF)C[C@H]1c1ccccc1 ZINC000340379736 173152235 /nfs/dbraw/zinc/15/22/35/173152235.db2.gz STYZMLFLNPMCLX-KBPBESRZSA-N 2 2 236.334 2.381 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1ccccc1Cl ZINC000042437600 173346242 /nfs/dbraw/zinc/34/62/42/173346242.db2.gz WAUDUJGSWAFPAV-UHFFFAOYSA-N 2 2 226.751 2.381 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1ccccc1Cl ZINC000042437600 173346243 /nfs/dbraw/zinc/34/62/43/173346243.db2.gz WAUDUJGSWAFPAV-UHFFFAOYSA-N 2 2 226.751 2.381 20 0 BEADLP C[NH2+]CCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000042410080 173351048 /nfs/dbraw/zinc/35/10/48/173351048.db2.gz MPIDGNBEVASHPC-UHFFFAOYSA-N 2 2 217.316 2.263 20 0 BEADLP C[NH2+]CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000161264858 173356276 /nfs/dbraw/zinc/35/62/76/173356276.db2.gz YYKYUCFOQRHUAF-UHFFFAOYSA-N 2 2 232.249 2.014 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1OC ZINC000050705041 173368738 /nfs/dbraw/zinc/36/87/38/173368738.db2.gz PCYULLPSIGXTAJ-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1OC ZINC000050705041 173368739 /nfs/dbraw/zinc/36/87/39/173368739.db2.gz PCYULLPSIGXTAJ-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOc1cccc(C)c1 ZINC000019933439 173368804 /nfs/dbraw/zinc/36/88/04/173368804.db2.gz SLYQFCFRMMZVKV-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOc1cccc(C)c1 ZINC000019933439 173368805 /nfs/dbraw/zinc/36/88/05/173368805.db2.gz SLYQFCFRMMZVKV-AWEZNQCLSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]C[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000053703870 173369717 /nfs/dbraw/zinc/36/97/17/173369717.db2.gz YHNQTPNPJUJCHC-LBPRGKRZSA-N 2 2 248.374 2.097 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C)c1 ZINC000133015668 173380474 /nfs/dbraw/zinc/38/04/74/173380474.db2.gz SJPJUMWIXPUPBR-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000133015668 173380475 /nfs/dbraw/zinc/38/04/75/173380475.db2.gz SJPJUMWIXPUPBR-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COCC(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354332050 174082574 /nfs/dbraw/zinc/08/25/74/174082574.db2.gz GTPGZXMUOFORIN-UHFFFAOYSA-N 2 2 236.359 2.337 20 0 BEADLP COCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284321505 174251255 /nfs/dbraw/zinc/25/12/55/174251255.db2.gz PTCFJZUASDRSFS-GJZGRUSLSA-N 2 2 248.370 2.058 20 0 BEADLP COCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284321505 174251256 /nfs/dbraw/zinc/25/12/56/174251256.db2.gz PTCFJZUASDRSFS-GJZGRUSLSA-N 2 2 248.370 2.058 20 0 BEADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000337385276 174396666 /nfs/dbraw/zinc/39/66/66/174396666.db2.gz HHQYSPXDYTVODN-STQMWFEESA-N 2 2 242.407 2.121 20 0 BEADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000019843400 175099039 /nfs/dbraw/zinc/09/90/39/175099039.db2.gz FPQXDVDMQCXQRJ-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000019843400 175099041 /nfs/dbraw/zinc/09/90/41/175099041.db2.gz FPQXDVDMQCXQRJ-CYBMUJFWSA-N 2 2 234.343 2.008 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234967399 175188097 /nfs/dbraw/zinc/18/80/97/175188097.db2.gz RGKRJGKXWIGCKH-AAEUAGOBSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+]CC[NH+](C)C)CCC2 ZINC000092383176 175216706 /nfs/dbraw/zinc/21/67/06/175216706.db2.gz XJZXSNAIKXTYNS-OAHLLOKOSA-N 2 2 248.370 2.224 20 0 BEADLP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063191525 175257734 /nfs/dbraw/zinc/25/77/34/175257734.db2.gz CQIAZQMTQQOZBZ-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063191525 175257738 /nfs/dbraw/zinc/25/77/38/175257738.db2.gz CQIAZQMTQQOZBZ-IUODEOHRSA-N 2 2 248.370 2.397 20 0 BEADLP COc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000019843399 175259077 /nfs/dbraw/zinc/25/90/77/175259077.db2.gz HYVTYVWCKRWDPE-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP COc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000019843399 175259078 /nfs/dbraw/zinc/25/90/78/175259078.db2.gz HYVTYVWCKRWDPE-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000177253568 175293801 /nfs/dbraw/zinc/29/38/01/175293801.db2.gz PEQFXBUCOAWLQW-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000177253568 175293802 /nfs/dbraw/zinc/29/38/02/175293802.db2.gz PEQFXBUCOAWLQW-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000134114779 175767407 /nfs/dbraw/zinc/76/74/07/175767407.db2.gz XRUGKJGRQDSKDW-GZBFAFLISA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[NH3+] ZINC000054416920 176014796 /nfs/dbraw/zinc/01/47/96/176014796.db2.gz LBCODIVCVXPYGL-VIFPVBQESA-N 2 2 212.724 2.292 20 0 BEADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[NH3+] ZINC000054416920 176014798 /nfs/dbraw/zinc/01/47/98/176014798.db2.gz LBCODIVCVXPYGL-VIFPVBQESA-N 2 2 212.724 2.292 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333066 176018221 /nfs/dbraw/zinc/01/82/21/176018221.db2.gz LYUXSFWYLHNOPS-NRUUGDAUSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333066 176018222 /nfs/dbraw/zinc/01/82/22/176018222.db2.gz LYUXSFWYLHNOPS-NRUUGDAUSA-N 2 2 222.307 2.166 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000022099045 176018293 /nfs/dbraw/zinc/01/82/93/176018293.db2.gz GTHPNDCSAMOKDH-NSHDSACASA-N 2 2 222.307 2.182 20 0 BEADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[NH2+]CC1 ZINC000022099045 176018294 /nfs/dbraw/zinc/01/82/94/176018294.db2.gz GTHPNDCSAMOKDH-NSHDSACASA-N 2 2 222.307 2.182 20 0 BEADLP C[C@@H](c1cccnc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000336249794 176028741 /nfs/dbraw/zinc/02/87/41/176028741.db2.gz ZIXAQPUONLDFGG-LBPRGKRZSA-N 2 2 233.359 2.169 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000309772302 176097412 /nfs/dbraw/zinc/09/74/12/176097412.db2.gz KSOSTVPMUJLYGL-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)[C@@H]1C ZINC000309772302 176097414 /nfs/dbraw/zinc/09/74/14/176097414.db2.gz KSOSTVPMUJLYGL-AAVRWANBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000309811556 176097705 /nfs/dbraw/zinc/09/77/05/176097705.db2.gz UITJCIDXLVSEFJ-OLZOCXBDSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2CCSC2)C1 ZINC000309811556 176097706 /nfs/dbraw/zinc/09/77/06/176097706.db2.gz UITJCIDXLVSEFJ-OLZOCXBDSA-N 2 2 242.432 2.061 20 0 BEADLP C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000130777295 176099795 /nfs/dbraw/zinc/09/97/95/176099795.db2.gz QMIAIXQXJGYEHE-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000130777295 176099798 /nfs/dbraw/zinc/09/97/98/176099798.db2.gz QMIAIXQXJGYEHE-GFCCVEGCSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1CC[N@H+](CCC2CCCC2)CC[NH2+]1 ZINC000049662261 176168235 /nfs/dbraw/zinc/16/82/35/176168235.db2.gz JTIJGEXYQDPZRS-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CCC2CCCC2)CC[NH2+]1 ZINC000049662261 176168236 /nfs/dbraw/zinc/16/82/36/176168236.db2.gz JTIJGEXYQDPZRS-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H](C)C1 ZINC000162002875 176172536 /nfs/dbraw/zinc/17/25/36/176172536.db2.gz MKJKRPCDASYOPL-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](C)C1 ZINC000162002875 176172538 /nfs/dbraw/zinc/17/25/38/176172538.db2.gz MKJKRPCDASYOPL-VXGBXAGGSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000334863237 176186210 /nfs/dbraw/zinc/18/62/10/176186210.db2.gz LWCUYTWXUDDNLO-PSASIEDQSA-N 2 2 244.791 2.489 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784620 176203067 /nfs/dbraw/zinc/20/30/67/176203067.db2.gz SPJCMTPBLMEWLZ-UPJWGTAASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784620 176203069 /nfs/dbraw/zinc/20/30/69/176203069.db2.gz SPJCMTPBLMEWLZ-UPJWGTAASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000336321404 176224413 /nfs/dbraw/zinc/22/44/13/176224413.db2.gz RKWDMKKLZGYIRH-DGCLKSJQSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784619 176224430 /nfs/dbraw/zinc/22/44/30/176224430.db2.gz SPJCMTPBLMEWLZ-JHJVBQTASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000336784619 176224431 /nfs/dbraw/zinc/22/44/31/176224431.db2.gz SPJCMTPBLMEWLZ-JHJVBQTASA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000355584109 176227133 /nfs/dbraw/zinc/22/71/33/176227133.db2.gz OWQVBIDMZHIGMF-GUIRCDHDSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000355584109 176227135 /nfs/dbraw/zinc/22/71/35/176227135.db2.gz OWQVBIDMZHIGMF-GUIRCDHDSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796575 176272025 /nfs/dbraw/zinc/27/20/25/176272025.db2.gz QHQBRIJLGDHTSD-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796575 176272027 /nfs/dbraw/zinc/27/20/27/176272027.db2.gz QHQBRIJLGDHTSD-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798172 176272864 /nfs/dbraw/zinc/27/28/64/176272864.db2.gz QPVSLKBVMVGGHZ-ZIHBUVQPSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000309798172 176272863 /nfs/dbraw/zinc/27/28/63/176272863.db2.gz QPVSLKBVMVGGHZ-ZIHBUVQPSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000358230762 176273903 /nfs/dbraw/zinc/27/39/03/176273903.db2.gz YVFBDDHZJQUKCO-KMUNFCNLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000358230762 176273904 /nfs/dbraw/zinc/27/39/04/176273904.db2.gz YVFBDDHZJQUKCO-KMUNFCNLSA-N 2 2 248.345 2.353 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000309781867 176274349 /nfs/dbraw/zinc/27/43/49/176274349.db2.gz NBWOSEFISLKUFC-FRRDWIJNSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000309781867 176274351 /nfs/dbraw/zinc/27/43/51/176274351.db2.gz NBWOSEFISLKUFC-FRRDWIJNSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309116229 176274707 /nfs/dbraw/zinc/27/47/07/176274707.db2.gz LQIFHRWIIGRYLV-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309116229 176274709 /nfs/dbraw/zinc/27/47/09/176274709.db2.gz LQIFHRWIIGRYLV-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000336781267 176277732 /nfs/dbraw/zinc/27/77/32/176277732.db2.gz UFBAECKASCZXJG-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000336781267 176277733 /nfs/dbraw/zinc/27/77/33/176277733.db2.gz UFBAECKASCZXJG-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000337257167 176277817 /nfs/dbraw/zinc/27/78/17/176277817.db2.gz NTYLLTZRUIGVJW-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000337257167 176277818 /nfs/dbraw/zinc/27/78/18/176277818.db2.gz NTYLLTZRUIGVJW-GRYCIOLGSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000309734496 176277991 /nfs/dbraw/zinc/27/79/91/176277991.db2.gz CADFKNPRMWACQY-UUFIZFKYSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000309734496 176277993 /nfs/dbraw/zinc/27/79/93/176277993.db2.gz CADFKNPRMWACQY-UUFIZFKYSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000309463834 176278937 /nfs/dbraw/zinc/27/89/37/176278937.db2.gz PKHMNMBGTGCGIY-XGFWRYKXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000309463834 176278939 /nfs/dbraw/zinc/27/89/39/176278939.db2.gz PKHMNMBGTGCGIY-XGFWRYKXSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336779464 176281431 /nfs/dbraw/zinc/28/14/31/176281431.db2.gz OHYJYWNDYOKUJI-NQBHXWOUSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000336779464 176281433 /nfs/dbraw/zinc/28/14/33/176281433.db2.gz OHYJYWNDYOKUJI-NQBHXWOUSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805219 176281975 /nfs/dbraw/zinc/28/19/75/176281975.db2.gz RZEYRJGPWRSMGG-MFKMUULPSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C)(C)C1 ZINC000309805219 176281977 /nfs/dbraw/zinc/28/19/77/176281977.db2.gz RZEYRJGPWRSMGG-MFKMUULPSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1[NH3+] ZINC000235352019 176302937 /nfs/dbraw/zinc/30/29/37/176302937.db2.gz QVMMAPPICFRVKB-SKDRFNHKSA-N 2 2 240.297 2.403 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@H]1[NH3+] ZINC000235352019 176302938 /nfs/dbraw/zinc/30/29/38/176302938.db2.gz QVMMAPPICFRVKB-SKDRFNHKSA-N 2 2 240.297 2.403 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1[NH3+] ZINC000235403185 176304528 /nfs/dbraw/zinc/30/45/28/176304528.db2.gz AJKIRSFYMNSEGW-ABAIWWIYSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1[NH3+] ZINC000235403185 176304529 /nfs/dbraw/zinc/30/45/29/176304529.db2.gz AJKIRSFYMNSEGW-ABAIWWIYSA-N 2 2 230.355 2.343 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000271774605 176306706 /nfs/dbraw/zinc/30/67/06/176306706.db2.gz GTLZBJAWUCQIBS-TXEJJXNPSA-N 2 2 229.327 2.422 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000271774605 176306707 /nfs/dbraw/zinc/30/67/07/176306707.db2.gz GTLZBJAWUCQIBS-TXEJJXNPSA-N 2 2 229.327 2.422 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@@H+]1C1CC1 ZINC000336677016 176374887 /nfs/dbraw/zinc/37/48/87/176374887.db2.gz BIFGGOBXRGDYPU-VXGBXAGGSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CCC2(C)CC2)C[N@H+]1C1CC1 ZINC000336677016 176374890 /nfs/dbraw/zinc/37/48/90/176374890.db2.gz BIFGGOBXRGDYPU-VXGBXAGGSA-N 2 2 222.376 2.391 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000328242477 487633692 /nfs/dbraw/zinc/63/36/92/487633692.db2.gz ISYSJDBAELWGFT-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C1 ZINC000328242477 487633697 /nfs/dbraw/zinc/63/36/97/487633697.db2.gz ISYSJDBAELWGFT-DGCLKSJQSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000160730053 176396932 /nfs/dbraw/zinc/39/69/32/176396932.db2.gz MUHIFQFAJRDSKP-UXIGCNINSA-N 2 2 230.355 2.119 20 0 BEADLP COCC[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674867368 487634393 /nfs/dbraw/zinc/63/43/93/487634393.db2.gz LAEFHGKFUYCBOF-NSHDSACASA-N 2 2 237.347 2.014 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022099366 177034169 /nfs/dbraw/zinc/03/41/69/177034169.db2.gz MWLNESUUGHTSAK-LLVKDONJSA-N 2 2 222.307 2.182 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022099366 177034171 /nfs/dbraw/zinc/03/41/71/177034171.db2.gz MWLNESUUGHTSAK-LLVKDONJSA-N 2 2 222.307 2.182 20 0 BEADLP C[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000020126761 177089108 /nfs/dbraw/zinc/08/91/08/177089108.db2.gz WRAGCZRZLICCPC-QWHCGFSZSA-N 2 2 210.365 2.251 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070175528 177101343 /nfs/dbraw/zinc/10/13/43/177101343.db2.gz CNHJNSKPGPMEDR-SMDDNHRTSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)[C@@H]1C[NH3+] ZINC000070175528 177101344 /nfs/dbraw/zinc/10/13/44/177101344.db2.gz CNHJNSKPGPMEDR-SMDDNHRTSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@H+](Cc2ccccc2F)[C@H]1C[NH3+] ZINC000251622997 177102730 /nfs/dbraw/zinc/10/27/30/177102730.db2.gz CPEWSBVEPSQLDK-FZMZJTMJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[N@@H+](Cc2ccccc2F)[C@H]1C[NH3+] ZINC000251622997 177102733 /nfs/dbraw/zinc/10/27/33/177102733.db2.gz CPEWSBVEPSQLDK-FZMZJTMJSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000083390908 177125583 /nfs/dbraw/zinc/12/55/83/177125583.db2.gz IGUZUDDAVWJLMF-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000336778293 177131041 /nfs/dbraw/zinc/13/10/41/177131041.db2.gz KZAGZTDZPPYBSR-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000300369314 177184095 /nfs/dbraw/zinc/18/40/95/177184095.db2.gz WYEIWLSRMYLTKX-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000300369314 177184096 /nfs/dbraw/zinc/18/40/96/177184096.db2.gz WYEIWLSRMYLTKX-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606358 177236710 /nfs/dbraw/zinc/23/67/10/177236710.db2.gz VELOHPOOKBVLJA-AAEUAGOBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335606358 177236711 /nfs/dbraw/zinc/23/67/11/177236711.db2.gz VELOHPOOKBVLJA-AAEUAGOBSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472734 177237550 /nfs/dbraw/zinc/23/75/50/177237550.db2.gz YFVJXKFKFLXNIW-YWPUVAFDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000339472734 177237552 /nfs/dbraw/zinc/23/75/52/177237552.db2.gz YFVJXKFKFLXNIW-YWPUVAFDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796576 177237794 /nfs/dbraw/zinc/23/77/94/177237794.db2.gz QHQBRIJLGDHTSD-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000309796576 177237795 /nfs/dbraw/zinc/23/77/95/177237795.db2.gz QHQBRIJLGDHTSD-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCCCC1 ZINC000309145417 177237830 /nfs/dbraw/zinc/23/78/30/177237830.db2.gz VBGDIMFFSUUPSX-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCCCC1 ZINC000309145417 177237831 /nfs/dbraw/zinc/23/78/31/177237831.db2.gz VBGDIMFFSUUPSX-WCQYABFASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCF ZINC000280908663 177266974 /nfs/dbraw/zinc/26/69/74/177266974.db2.gz CVYWVEQITVTBSG-GXTWGEPZSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCF ZINC000280908663 177266976 /nfs/dbraw/zinc/26/69/76/177266976.db2.gz CVYWVEQITVTBSG-GXTWGEPZSA-N 2 2 236.334 2.066 20 0 BEADLP C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@@H]1[NH3+] ZINC000235719019 177270815 /nfs/dbraw/zinc/27/08/15/177270815.db2.gz SMWHHGLGMLRVTK-GWCFXTLKSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@@H]1[NH3+] ZINC000235719019 177270816 /nfs/dbraw/zinc/27/08/16/177270816.db2.gz SMWHHGLGMLRVTK-GWCFXTLKSA-N 2 2 230.311 2.212 20 0 BEADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000312777474 177285038 /nfs/dbraw/zinc/28/50/38/177285038.db2.gz ZUPHRKOLMKWHGY-WPRPVWTQSA-N 2 2 244.791 2.489 20 0 BEADLP C[C@H]1CSC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000304522660 177307037 /nfs/dbraw/zinc/30/70/37/177307037.db2.gz PNBMMVITXUSQDU-QWHCGFSZSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000290402053 177332269 /nfs/dbraw/zinc/33/22/69/177332269.db2.gz SYVDJRVBMODTSI-SMDDNHRTSA-N 2 2 218.344 2.386 20 0 BEADLP C[C@H]1C[C@H]([N@@H+]2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000038086820 177366535 /nfs/dbraw/zinc/36/65/35/177366535.db2.gz WYVOBSMUFRIZQE-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[C@H]([N@H+]2CCC[NH2+]CC2)CC(C)(C)C1 ZINC000038086820 177366538 /nfs/dbraw/zinc/36/65/38/177366538.db2.gz WYVOBSMUFRIZQE-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000290402047 177369332 /nfs/dbraw/zinc/36/93/32/177369332.db2.gz SYVDJRVBMODTSI-FZMZJTMJSA-N 2 2 218.344 2.386 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccncc2)CCC[N@@H+]1C ZINC000487573195 225315590 /nfs/dbraw/zinc/31/55/90/225315590.db2.gz NBUMRNVZCCFCOP-JLHXHDPKSA-N 2 2 245.370 2.167 20 0 BEADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccncc2)CCC[N@H+]1C ZINC000487573195 225315592 /nfs/dbraw/zinc/31/55/92/225315592.db2.gz NBUMRNVZCCFCOP-JLHXHDPKSA-N 2 2 245.370 2.167 20 0 BEADLP C[NH+](C)C1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000495079481 226276166 /nfs/dbraw/zinc/27/61/66/226276166.db2.gz NWMKGPBEXIYFIC-ONEGZZNKSA-N 2 2 245.370 2.121 20 0 BEADLP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400364200 226341644 /nfs/dbraw/zinc/34/16/44/226341644.db2.gz DHPZBNNMDWNSHA-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)C(C)C)C1 ZINC000328323246 487657794 /nfs/dbraw/zinc/65/77/94/487657794.db2.gz FIXKENPPSUQFDY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)C(C)C)C1 ZINC000328323246 487657797 /nfs/dbraw/zinc/65/77/97/487657797.db2.gz FIXKENPPSUQFDY-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000328367554 487670934 /nfs/dbraw/zinc/67/09/34/487670934.db2.gz RHSSYAQCFLVBJV-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000328367554 487670941 /nfs/dbraw/zinc/67/09/41/487670941.db2.gz RHSSYAQCFLVBJV-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000328367556 487671262 /nfs/dbraw/zinc/67/12/62/487671262.db2.gz RHSSYAQCFLVBJV-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000328367556 487671264 /nfs/dbraw/zinc/67/12/64/487671264.db2.gz RHSSYAQCFLVBJV-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CN(C)c1[nH+]cc(C[NH2+][C@@]2(C)CC=CCC2)n1C ZINC000398372280 262760686 /nfs/dbraw/zinc/76/06/86/262760686.db2.gz PSNWFGQNRUGCIU-AWEZNQCLSA-N 2 2 248.374 2.075 20 0 BEADLP C[C@]1(C[NH2+]CCCn2cc[nH+]c2)CCCS1 ZINC000087793573 487687586 /nfs/dbraw/zinc/68/75/86/487687586.db2.gz NTVCUNLHPJDGBH-GFCCVEGCSA-N 2 2 239.388 2.149 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)n1C ZINC000667649944 487695230 /nfs/dbraw/zinc/69/52/30/487695230.db2.gz HIUMLZZORQCSRB-VHSXEESVSA-N 2 2 239.388 2.054 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)n1C ZINC000667649944 487695233 /nfs/dbraw/zinc/69/52/33/487695233.db2.gz HIUMLZZORQCSRB-VHSXEESVSA-N 2 2 239.388 2.054 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)CCC1CCC1 ZINC000660149766 487699195 /nfs/dbraw/zinc/69/91/95/487699195.db2.gz SJXJIDSNPXFMCL-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)CCC1CCC1 ZINC000660149766 487699201 /nfs/dbraw/zinc/69/92/01/487699201.db2.gz SJXJIDSNPXFMCL-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CCO1 ZINC000097928656 487704915 /nfs/dbraw/zinc/70/49/15/487704915.db2.gz ZFOCLYUTOQXPHU-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000088162152 487706493 /nfs/dbraw/zinc/70/64/93/487706493.db2.gz NPAHVCVUELPQJF-WCQYABFASA-N 2 2 204.317 2.008 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1nccc2ccccc21 ZINC000228718897 487718892 /nfs/dbraw/zinc/71/88/92/487718892.db2.gz VRJIPNKYDDYKQL-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000668430516 487742436 /nfs/dbraw/zinc/74/24/36/487742436.db2.gz JEZAQBXTDJVWLG-CYBMUJFWSA-N 2 2 248.370 2.355 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000668430516 487742441 /nfs/dbraw/zinc/74/24/41/487742441.db2.gz JEZAQBXTDJVWLG-CYBMUJFWSA-N 2 2 248.370 2.355 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251327335 487753816 /nfs/dbraw/zinc/75/38/16/487753816.db2.gz XQGBSLOOFXNPKR-NWANDNLSSA-N 2 2 248.370 2.186 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000251327335 487753821 /nfs/dbraw/zinc/75/38/21/487753821.db2.gz XQGBSLOOFXNPKR-NWANDNLSSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)CC1)[NH+](C)C ZINC000226500546 487754076 /nfs/dbraw/zinc/75/40/76/487754076.db2.gz OOEPYYYEHULEDG-FRRDWIJNSA-N 2 2 212.381 2.495 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000675767323 487775520 /nfs/dbraw/zinc/77/55/20/487775520.db2.gz SLBQLBLZVLWZBP-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000675767323 487775525 /nfs/dbraw/zinc/77/55/25/487775525.db2.gz SLBQLBLZVLWZBP-HIFRSBDPSA-N 2 2 248.345 2.497 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000223446928 487775799 /nfs/dbraw/zinc/77/57/99/487775799.db2.gz BGQSMPIZYAUTGV-UONOGXRCSA-N 2 2 246.398 2.331 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000675767326 487776252 /nfs/dbraw/zinc/77/62/52/487776252.db2.gz SLBQLBLZVLWZBP-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000675767326 487776254 /nfs/dbraw/zinc/77/62/54/487776254.db2.gz SLBQLBLZVLWZBP-UKRRQHHQSA-N 2 2 248.345 2.497 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1C[C@H]1C ZINC000322052991 487780821 /nfs/dbraw/zinc/78/08/21/487780821.db2.gz PRHWNETXHQNQFQ-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1C[C@H]1C ZINC000322052991 487780829 /nfs/dbraw/zinc/78/08/29/487780829.db2.gz PRHWNETXHQNQFQ-NDBYEHHHSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CCC[N@H+](CCOc2ccccc2)[C@H]1C[NH3+] ZINC000252129044 487817244 /nfs/dbraw/zinc/81/72/44/487817244.db2.gz KMILFZGGMNSGDK-HIFRSBDPSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CCC[N@@H+](CCOc2ccccc2)[C@H]1C[NH3+] ZINC000252129044 487817248 /nfs/dbraw/zinc/81/72/48/487817248.db2.gz KMILFZGGMNSGDK-HIFRSBDPSA-N 2 2 248.370 2.125 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2cccs2)[C@H]1C[NH3+] ZINC000252138681 487818039 /nfs/dbraw/zinc/81/80/39/487818039.db2.gz LWRNQDIZDRIJTB-PWSUYJOCSA-N 2 2 224.373 2.307 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2cccs2)[C@H]1C[NH3+] ZINC000252138681 487818040 /nfs/dbraw/zinc/81/80/40/487818040.db2.gz LWRNQDIZDRIJTB-PWSUYJOCSA-N 2 2 224.373 2.307 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000229098981 487818913 /nfs/dbraw/zinc/81/89/13/487818913.db2.gz LVDHNIAKVKIGHC-SECBINFHSA-N 2 2 246.276 2.403 20 0 BEADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000651751807 487825213 /nfs/dbraw/zinc/82/52/13/487825213.db2.gz ILRSXZCOBYFGNX-JHJVBQTASA-N 2 2 212.381 2.495 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1scnc1C1CC1 ZINC000414937129 487831411 /nfs/dbraw/zinc/83/14/11/487831411.db2.gz CHBRWIGORUUYSA-SECBINFHSA-N 2 2 239.388 2.108 20 0 BEADLP CCc1ccccc1C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401794497 487832085 /nfs/dbraw/zinc/83/20/85/487832085.db2.gz YFIGUXYTWRBRDX-IUODEOHRSA-N 2 2 232.371 2.337 20 0 BEADLP CC1=C[C@@H](C)C[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098902 487837946 /nfs/dbraw/zinc/83/79/46/487837946.db2.gz UXFCLHJLGCDXNA-LLVKDONJSA-N 2 2 231.343 2.227 20 0 BEADLP CC1=C[C@@H](C)C[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098902 487837948 /nfs/dbraw/zinc/83/79/48/487837948.db2.gz UXFCLHJLGCDXNA-LLVKDONJSA-N 2 2 231.343 2.227 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769897 487854740 /nfs/dbraw/zinc/85/47/40/487854740.db2.gz GQGWREKCCOMJJW-AWEZNQCLSA-N 2 2 236.334 2.366 20 0 BEADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668153497 487854508 /nfs/dbraw/zinc/85/45/08/487854508.db2.gz QPKXNYUMZJQEDC-YNEHKIRRSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1nccc2ccccc21 ZINC000666741131 487869841 /nfs/dbraw/zinc/86/98/41/487869841.db2.gz VVQSUWLPXUCDAF-AWEZNQCLSA-N 2 2 243.354 2.308 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000670269543 487882344 /nfs/dbraw/zinc/88/23/44/487882344.db2.gz NWXDLLZIHUNDHI-VXGBXAGGSA-N 2 2 235.375 2.470 20 0 BEADLP C[NH2+]CCC[NH2+]Cc1cscc1Cl ZINC000666807469 487884512 /nfs/dbraw/zinc/88/45/12/487884512.db2.gz NSTOQSZQBFRKQA-UHFFFAOYSA-N 2 2 218.753 2.101 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234884864 487886156 /nfs/dbraw/zinc/88/61/56/487886156.db2.gz GEPRHIBSVONAPJ-CHWSQXEVSA-N 2 2 248.370 2.488 20 0 BEADLP CC[C@@H]1C[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](CC)CO1 ZINC000403782935 487887524 /nfs/dbraw/zinc/88/75/24/487887524.db2.gz GUINWKHKBRZPTK-MELADBBJSA-N 2 2 242.407 2.249 20 0 BEADLP CC[C@@H]1C[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](CC)CO1 ZINC000403782935 487887529 /nfs/dbraw/zinc/88/75/29/487887529.db2.gz GUINWKHKBRZPTK-MELADBBJSA-N 2 2 242.407 2.249 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000093061896 487887875 /nfs/dbraw/zinc/88/78/75/487887875.db2.gz UVOCNJMCZWVSMX-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000093061896 487887882 /nfs/dbraw/zinc/88/78/82/487887882.db2.gz UVOCNJMCZWVSMX-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP CCc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000666945591 487889440 /nfs/dbraw/zinc/88/94/40/487889440.db2.gz ZGGGGRRVVSZZGD-UWVGGRQHSA-N 2 2 242.363 2.100 20 0 BEADLP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666945488 487889515 /nfs/dbraw/zinc/88/95/15/487889515.db2.gz SMCAEVFTHNPIPU-MQYQWHSLSA-N 2 2 242.382 2.492 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336753698 487890400 /nfs/dbraw/zinc/89/04/00/487890400.db2.gz WMOBHOPQXNGGKP-WZRBSPASSA-N 2 2 238.400 2.219 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336753698 487890405 /nfs/dbraw/zinc/89/04/05/487890405.db2.gz WMOBHOPQXNGGKP-WZRBSPASSA-N 2 2 238.400 2.219 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000234968822 487898007 /nfs/dbraw/zinc/89/80/07/487898007.db2.gz FFWREHKODFHFLA-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000666948186 487900404 /nfs/dbraw/zinc/90/04/04/487900404.db2.gz UJWSLIYNZWQEMU-WXHSDQCUSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538407 487902349 /nfs/dbraw/zinc/90/23/49/487902349.db2.gz ZXCNARXOATVAIR-RISCZKNCSA-N 2 2 248.370 2.396 20 0 BEADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)o1 ZINC000668538407 487902354 /nfs/dbraw/zinc/90/23/54/487902354.db2.gz ZXCNARXOATVAIR-RISCZKNCSA-N 2 2 248.370 2.396 20 0 BEADLP C[N@@H+](Cc1coc2ccccc12)CC1C[NH+](C)C1 ZINC000668540043 487904651 /nfs/dbraw/zinc/90/46/51/487904651.db2.gz UYKPGOKQOMUUMB-UHFFFAOYSA-N 2 2 244.338 2.426 20 0 BEADLP C[N@H+](Cc1coc2ccccc12)CC1C[NH+](C)C1 ZINC000668540043 487904656 /nfs/dbraw/zinc/90/46/56/487904656.db2.gz UYKPGOKQOMUUMB-UHFFFAOYSA-N 2 2 244.338 2.426 20 0 BEADLP C[C@H](Cc1ccsc1)[N@H+](C)CC1C[NH+](C)C1 ZINC000668540089 487905273 /nfs/dbraw/zinc/90/52/73/487905273.db2.gz WHCUMERKXALBMM-LLVKDONJSA-N 2 2 238.400 2.173 20 0 BEADLP C[C@H](Cc1ccsc1)[N@@H+](C)CC1C[NH+](C)C1 ZINC000668540089 487905275 /nfs/dbraw/zinc/90/52/75/487905275.db2.gz WHCUMERKXALBMM-LLVKDONJSA-N 2 2 238.400 2.173 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000666945253 487909054 /nfs/dbraw/zinc/90/90/54/487909054.db2.gz HALYYTQZKCBRAH-RYUDHWBXSA-N 2 2 242.725 2.130 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+]CC[NH+](C)C)CC1 ZINC000083434954 487911768 /nfs/dbraw/zinc/91/17/68/487911768.db2.gz IPKWJTRIWIODGL-STQMWFEESA-N 2 2 212.381 2.497 20 0 BEADLP CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946504 487911484 /nfs/dbraw/zinc/91/14/84/487911484.db2.gz GBRRXFDXUYARSW-SDDRHHMPSA-N 2 2 228.355 2.245 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000235206109 487933736 /nfs/dbraw/zinc/93/37/36/487933736.db2.gz ZCARBAIOTNPISB-DGCLKSJQSA-N 2 2 234.343 2.185 20 0 BEADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000151155072 323011613 /nfs/dbraw/zinc/01/16/13/323011613.db2.gz WQNFIIFSRNYWKF-ZDUSSCGKSA-N 2 2 221.348 2.297 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000562779022 323030519 /nfs/dbraw/zinc/03/05/19/323030519.db2.gz UMUVTTJHUNFYPN-ZFWWWQNUSA-N 2 2 247.386 2.464 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccncc1 ZINC000562779022 323030520 /nfs/dbraw/zinc/03/05/20/323030520.db2.gz UMUVTTJHUNFYPN-ZFWWWQNUSA-N 2 2 247.386 2.464 20 0 BEADLP Cc1ccc(C)c(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000565219200 323034159 /nfs/dbraw/zinc/03/41/59/323034159.db2.gz SWGFVKKTFAUCJG-UHFFFAOYSA-N 2 2 232.371 2.486 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000562956455 323035161 /nfs/dbraw/zinc/03/51/61/323035161.db2.gz WGHZMXIISRFTFF-MRVPVSSYSA-N 2 2 230.714 2.349 20 0 BEADLP Cc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)cc[nH+]1 ZINC000525706460 323038685 /nfs/dbraw/zinc/03/86/85/323038685.db2.gz XUDBPOICKQCSNJ-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1nc(N2CCC[N@H+](C(C)(C)C)CC2)cc[nH+]1 ZINC000525706460 323038686 /nfs/dbraw/zinc/03/86/86/323038686.db2.gz XUDBPOICKQCSNJ-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1[nH]c(CNc2[nH+]cccc2C)[nH+]c1C ZINC000569868583 323043299 /nfs/dbraw/zinc/04/32/99/323043299.db2.gz WBCSOHOCVAGMSL-UHFFFAOYSA-N 2 2 216.288 2.342 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569971563 323046076 /nfs/dbraw/zinc/04/60/76/323046076.db2.gz GYURAVYOLSUMEK-KYOSRNDESA-N 2 2 230.355 2.201 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569971563 323046077 /nfs/dbraw/zinc/04/60/77/323046077.db2.gz GYURAVYOLSUMEK-KYOSRNDESA-N 2 2 230.355 2.201 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C)n1C ZINC000570106241 323050107 /nfs/dbraw/zinc/05/01/07/323050107.db2.gz AMQCPSPKNBMFEY-UHFFFAOYSA-N 2 2 229.327 2.327 20 0 BEADLP COc1ccc(C)cc1C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160001481 323057384 /nfs/dbraw/zinc/05/73/84/323057384.db2.gz QJPBTUQMFCDBGO-AWEZNQCLSA-N 2 2 248.370 2.173 20 0 BEADLP COc1ccc(C)cc1C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160001481 323057385 /nfs/dbraw/zinc/05/73/85/323057385.db2.gz QJPBTUQMFCDBGO-AWEZNQCLSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2C)n1C ZINC000570699479 323067889 /nfs/dbraw/zinc/06/78/89/323067889.db2.gz ZTIPGSDXTWTBDI-JOYOIKCWSA-N 2 2 207.321 2.007 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H]2C)n1C ZINC000570699478 323067954 /nfs/dbraw/zinc/06/79/54/323067954.db2.gz ZTIPGSDXTWTBDI-CABZTGNLSA-N 2 2 207.321 2.007 20 0 BEADLP CC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000570826453 323071945 /nfs/dbraw/zinc/07/19/45/323071945.db2.gz AUQWPFYWRVSAOP-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CCOCC1 ZINC000531706469 323111925 /nfs/dbraw/zinc/11/19/25/323111925.db2.gz HJHUGGONZNLZBP-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCOCC1 ZINC000531706469 323111926 /nfs/dbraw/zinc/11/19/26/323111926.db2.gz HJHUGGONZNLZBP-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP Cn1c[nH+]cc1CCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000563545769 323129560 /nfs/dbraw/zinc/12/95/60/323129560.db2.gz PXJAFMQLBMEVEG-CHWSQXEVSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000571413647 323143982 /nfs/dbraw/zinc/14/39/82/323143982.db2.gz CQJLRXPDWJUKFV-VIFPVBQESA-N 2 2 247.264 2.162 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000571413647 323143983 /nfs/dbraw/zinc/14/39/83/323143983.db2.gz CQJLRXPDWJUKFV-VIFPVBQESA-N 2 2 247.264 2.162 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H]2c2ccccn2)c[nH+]1 ZINC000536573213 323197990 /nfs/dbraw/zinc/19/79/90/323197990.db2.gz KPJQQTLFBWFJHY-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H]2c2ccccn2)c[nH+]1 ZINC000536573213 323197991 /nfs/dbraw/zinc/19/79/91/323197991.db2.gz KPJQQTLFBWFJHY-AWEZNQCLSA-N 2 2 242.326 2.115 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccoc1 ZINC000532246405 323211868 /nfs/dbraw/zinc/21/18/68/323211868.db2.gz OJKBEMFLNULCKE-SUNKGSAMSA-N 2 2 234.343 2.413 20 0 BEADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccoc1 ZINC000532246405 323211871 /nfs/dbraw/zinc/21/18/71/323211871.db2.gz OJKBEMFLNULCKE-SUNKGSAMSA-N 2 2 234.343 2.413 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530218463 323217645 /nfs/dbraw/zinc/21/76/45/323217645.db2.gz WEOQTPLJGZMUCV-JSGCOSHPSA-N 2 2 245.370 2.325 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325097423 323310359 /nfs/dbraw/zinc/31/03/59/323310359.db2.gz PXDMDEWOHKOKAS-ZIAGYGMSSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325097423 323310362 /nfs/dbraw/zinc/31/03/62/323310362.db2.gz PXDMDEWOHKOKAS-ZIAGYGMSSA-N 2 2 222.376 2.249 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000309218426 323329191 /nfs/dbraw/zinc/32/91/91/323329191.db2.gz UVBPINMDLMXLDC-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000309218426 323329196 /nfs/dbraw/zinc/32/91/96/323329196.db2.gz UVBPINMDLMXLDC-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1C[C@@H]1C ZINC000321112597 323377053 /nfs/dbraw/zinc/37/70/53/323377053.db2.gz QTSSHBYRWNLZKJ-IHRRRGAJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000321522106 323621027 /nfs/dbraw/zinc/62/10/27/323621027.db2.gz OGDFZTZLYYITNP-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000045094612 323836471 /nfs/dbraw/zinc/83/64/71/323836471.db2.gz YBSWYKBNJKUQQI-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000227503934 487962128 /nfs/dbraw/zinc/96/21/28/487962128.db2.gz SVQQXSBCZXHYKP-AGIUHOORSA-N 2 2 242.432 2.344 20 0 BEADLP CC[NH2+]CCC[NH2+][C@H](C)c1csc(C)n1 ZINC000517730975 324176456 /nfs/dbraw/zinc/17/64/56/324176456.db2.gz TXJLUKUWYPGSIB-SECBINFHSA-N 2 2 227.377 2.102 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC(F)(F)C1 ZINC000529529554 324325735 /nfs/dbraw/zinc/32/57/35/324325735.db2.gz BYSQKQUSVGBBPF-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC(F)(F)C1 ZINC000529529554 324325738 /nfs/dbraw/zinc/32/57/38/324325738.db2.gz BYSQKQUSVGBBPF-ONGXEEELSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529537092 324329647 /nfs/dbraw/zinc/32/96/47/324329647.db2.gz UEXCLAOKGBZHKY-JTQLQIEISA-N 2 2 243.301 2.297 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177788 324508389 /nfs/dbraw/zinc/50/83/89/324508389.db2.gz UVCXLCLGUGKQNA-ZDUSSCGKSA-N 2 2 234.318 2.200 20 0 BEADLP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000530222014 324540400 /nfs/dbraw/zinc/54/04/00/324540400.db2.gz QNKXQHXNVVHAJO-TZMCWYRMSA-N 2 2 233.359 2.010 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000130918702 325101999 /nfs/dbraw/zinc/10/19/99/325101999.db2.gz RTTOLAOJNRGBMG-CYBMUJFWSA-N 2 2 221.348 2.394 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000130918702 325102000 /nfs/dbraw/zinc/10/20/00/325102000.db2.gz RTTOLAOJNRGBMG-CYBMUJFWSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000131032626 325109812 /nfs/dbraw/zinc/10/98/12/325109812.db2.gz JENNFAOGFXQCGY-AAEUAGOBSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)C ZINC000131032626 325109809 /nfs/dbraw/zinc/10/98/09/325109809.db2.gz JENNFAOGFXQCGY-AAEUAGOBSA-N 2 2 212.381 2.493 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000132050037 325196024 /nfs/dbraw/zinc/19/60/24/325196024.db2.gz DWDNVUXPCIUWSB-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@H](COC)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000553514106 325694743 /nfs/dbraw/zinc/69/47/43/325694743.db2.gz HWPNIDCVDDSFSO-GFCCVEGCSA-N 2 2 247.342 2.157 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000564706540 325804168 /nfs/dbraw/zinc/80/41/68/325804168.db2.gz VSANPULXKOSGMJ-NSHDSACASA-N 2 2 209.337 2.297 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C2CC(C)(C)C2)n1C ZINC000566499143 326059175 /nfs/dbraw/zinc/05/91/75/326059175.db2.gz NIGMUZJRKJBFGS-UHFFFAOYSA-N 2 2 207.321 2.007 20 0 BEADLP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1C ZINC000566923830 326095009 /nfs/dbraw/zinc/09/50/09/326095009.db2.gz JPQXRIIQBSNYCD-UHFFFAOYSA-N 2 2 248.370 2.186 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000154539798 326149600 /nfs/dbraw/zinc/14/96/00/326149600.db2.gz DEPNTWHKSLPEBR-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000154539798 326149603 /nfs/dbraw/zinc/14/96/03/326149603.db2.gz DEPNTWHKSLPEBR-UKRRQHHQSA-N 2 2 230.355 2.358 20 0 BEADLP Fc1cc(F)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000568236366 326331727 /nfs/dbraw/zinc/33/17/27/326331727.db2.gz IXBAGFNMTBZVNS-UHFFFAOYSA-N 2 2 240.297 2.150 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000568413391 326355653 /nfs/dbraw/zinc/35/56/53/326355653.db2.gz DNQQTEYTEKFIMZ-UHFFFAOYSA-N 2 2 240.297 2.147 20 0 BEADLP CO[C@H]1C[C@@H]([N@H+](C)CCCc2ccc(C)[nH+]c2)C1 ZINC000568682349 326372224 /nfs/dbraw/zinc/37/22/24/326372224.db2.gz VRKWYKHXLLBMNU-GASCZTMLSA-N 2 2 248.370 2.432 20 0 BEADLP CO[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc(C)[nH+]c2)C1 ZINC000568682349 326372225 /nfs/dbraw/zinc/37/22/25/326372225.db2.gz VRKWYKHXLLBMNU-GASCZTMLSA-N 2 2 248.370 2.432 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)c[nH+]1 ZINC000682523130 487975957 /nfs/dbraw/zinc/97/59/57/487975957.db2.gz QVSQEEUUHNBYHU-KBPBESRZSA-N 2 2 249.358 2.089 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)c[nH+]1 ZINC000682523130 487975961 /nfs/dbraw/zinc/97/59/61/487975961.db2.gz QVSQEEUUHNBYHU-KBPBESRZSA-N 2 2 249.358 2.089 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000653625937 487995178 /nfs/dbraw/zinc/99/51/78/487995178.db2.gz YBDIMSUEEJZTGS-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000653625937 487995182 /nfs/dbraw/zinc/99/51/82/487995182.db2.gz YBDIMSUEEJZTGS-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400539177 533713494 /nfs/dbraw/zinc/71/34/94/533713494.db2.gz ULHQOUWLRYTIMM-LALPHHSUSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)o1 ZINC000049553859 488017538 /nfs/dbraw/zinc/01/75/38/488017538.db2.gz HEQKCJAJYHCCNH-SECBINFHSA-N 2 2 230.739 2.363 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C[C@H](O)C2CC2)c[nH+]1 ZINC000685461353 488039254 /nfs/dbraw/zinc/03/92/54/488039254.db2.gz KAZYTBCXJFPGLK-HNNXBMFYSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C[C@H](O)C2CC2)c[nH+]1 ZINC000685461353 488039260 /nfs/dbraw/zinc/03/92/60/488039260.db2.gz KAZYTBCXJFPGLK-HNNXBMFYSA-N 2 2 248.370 2.025 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000488342389 533718659 /nfs/dbraw/zinc/71/86/59/533718659.db2.gz WVVRGLUJLAMWPC-MCIONIFRSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000488342389 533718663 /nfs/dbraw/zinc/71/86/63/533718663.db2.gz WVVRGLUJLAMWPC-MCIONIFRSA-N 2 2 222.376 2.203 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)CC(C)(C)C)n1C ZINC000667535058 488040299 /nfs/dbraw/zinc/04/02/99/488040299.db2.gz WZFCPFUJSSWSTE-UHFFFAOYSA-N 2 2 209.337 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)CC(C)(C)C)n1C ZINC000667535058 488040301 /nfs/dbraw/zinc/04/03/01/488040301.db2.gz WZFCPFUJSSWSTE-UHFFFAOYSA-N 2 2 209.337 2.206 20 0 BEADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccn1 ZINC000667621227 488061098 /nfs/dbraw/zinc/06/10/98/488061098.db2.gz CKLVYDIMUGRAKV-UHFFFAOYSA-N 2 2 244.342 2.146 20 0 BEADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccn1 ZINC000667621227 488061102 /nfs/dbraw/zinc/06/11/02/488061102.db2.gz CKLVYDIMUGRAKV-UHFFFAOYSA-N 2 2 244.342 2.146 20 0 BEADLP CCC(C)(C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000656215413 488069199 /nfs/dbraw/zinc/06/91/99/488069199.db2.gz WPPSKWNUERYBKG-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)n1C ZINC000667650366 488072916 /nfs/dbraw/zinc/07/29/16/488072916.db2.gz VRLAMHKETDPMAM-WDEREUQCSA-N 2 2 221.348 2.349 20 0 BEADLP CC[N@H+](Cc1c[nH+]c(C)n1C)C1CCC1 ZINC000667658321 488077572 /nfs/dbraw/zinc/07/75/72/488077572.db2.gz COXOYZZANHCWRG-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CCC1 ZINC000667658321 488077577 /nfs/dbraw/zinc/07/75/77/488077577.db2.gz COXOYZZANHCWRG-UHFFFAOYSA-N 2 2 207.321 2.103 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000222018744 488081988 /nfs/dbraw/zinc/08/19/88/488081988.db2.gz BRJOPNJWRXVFQP-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000222018744 488081993 /nfs/dbraw/zinc/08/19/93/488081993.db2.gz BRJOPNJWRXVFQP-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000389306834 488087995 /nfs/dbraw/zinc/08/79/95/488087995.db2.gz FKRWCXJQIYHCGP-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000389306834 488088001 /nfs/dbraw/zinc/08/80/01/488088001.db2.gz FKRWCXJQIYHCGP-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000667693576 488089617 /nfs/dbraw/zinc/08/96/17/488089617.db2.gz PPOPLHSGCGTFQF-GHMZBOCLSA-N 2 2 219.332 2.060 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000667693576 488089621 /nfs/dbraw/zinc/08/96/21/488089621.db2.gz PPOPLHSGCGTFQF-GHMZBOCLSA-N 2 2 219.332 2.060 20 0 BEADLP CC[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667698042 488091497 /nfs/dbraw/zinc/09/14/97/488091497.db2.gz VWUBOFMURPPJRW-LLVKDONJSA-N 2 2 219.332 2.061 20 0 BEADLP CC[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667698042 488091500 /nfs/dbraw/zinc/09/15/00/488091500.db2.gz VWUBOFMURPPJRW-LLVKDONJSA-N 2 2 219.332 2.061 20 0 BEADLP c1[nH+]cn2c1C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000660584961 488093848 /nfs/dbraw/zinc/09/38/48/488093848.db2.gz WEUPDBGMRJAPLT-UPJWGTAASA-N 2 2 231.343 2.135 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000660584961 488093854 /nfs/dbraw/zinc/09/38/54/488093854.db2.gz WEUPDBGMRJAPLT-UPJWGTAASA-N 2 2 231.343 2.135 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683108802 488106216 /nfs/dbraw/zinc/10/62/16/488106216.db2.gz DMPRDCJVKGCMHY-UPJWGTAASA-N 2 2 219.332 2.176 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683108802 488106220 /nfs/dbraw/zinc/10/62/20/488106220.db2.gz DMPRDCJVKGCMHY-UPJWGTAASA-N 2 2 219.332 2.176 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321057884 488125711 /nfs/dbraw/zinc/12/57/11/488125711.db2.gz IBKZDAMVIYOATR-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000321057884 488125704 /nfs/dbraw/zinc/12/57/04/488125704.db2.gz IBKZDAMVIYOATR-RNJOBUHISA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000397653406 488128553 /nfs/dbraw/zinc/12/85/53/488128553.db2.gz MGAZSFYNXJMOMP-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000397653406 488128557 /nfs/dbraw/zinc/12/85/57/488128557.db2.gz MGAZSFYNXJMOMP-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403632723 488130339 /nfs/dbraw/zinc/13/03/39/488130339.db2.gz FOZNGAOIIKQFGU-FRRDWIJNSA-N 2 2 224.392 2.352 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c(C)c1 ZINC000086728545 487540268 /nfs/dbraw/zinc/54/02/68/487540268.db2.gz NNEUZVIDSBUEIP-OLZOCXBDSA-N 2 2 218.344 2.316 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000162135362 487540575 /nfs/dbraw/zinc/54/05/75/487540575.db2.gz NZKDQXTWXLLGCY-CYBMUJFWSA-N 2 2 220.360 2.309 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000162145743 487540717 /nfs/dbraw/zinc/54/07/17/487540717.db2.gz LRGYTCNRCCGWDH-LBPRGKRZSA-N 2 2 206.333 2.001 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cccc(OC(C)C)c1 ZINC000231818955 487477578 /nfs/dbraw/zinc/47/75/78/487477578.db2.gz SETMKFODGOMACP-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cccc(OC(C)C)c1 ZINC000231818955 487477581 /nfs/dbraw/zinc/47/75/81/487477581.db2.gz SETMKFODGOMACP-UHFFFAOYSA-N 2 2 236.359 2.254 20 0 BEADLP C[C@H](C[N@H+](C)CC(C)(C)[NH3+])C(C)(C)C ZINC000399555293 487489655 /nfs/dbraw/zinc/48/96/55/487489655.db2.gz AYSAKXIXEVYEGU-SNVBAGLBSA-N 2 2 200.370 2.338 20 0 BEADLP C[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C(C)(C)C ZINC000399555293 487489658 /nfs/dbraw/zinc/48/96/58/487489658.db2.gz AYSAKXIXEVYEGU-SNVBAGLBSA-N 2 2 200.370 2.338 20 0 BEADLP CCC1(CC)C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668230933 487496282 /nfs/dbraw/zinc/49/62/82/487496282.db2.gz FDDWYHVVPGGURX-UHFFFAOYSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@H+](C)C1CC1 ZINC000304590717 487511902 /nfs/dbraw/zinc/51/19/02/487511902.db2.gz PGLQBNDWVQBBJV-MHDGFBEUSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[N@@H+](C)C1CC1 ZINC000304590717 487511910 /nfs/dbraw/zinc/51/19/10/487511910.db2.gz PGLQBNDWVQBBJV-MHDGFBEUSA-N 2 2 222.376 2.247 20 0 BEADLP Fc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000232104223 487510688 /nfs/dbraw/zinc/51/06/88/487510688.db2.gz PVPWQLCVPZWOCQ-ZDUSSCGKSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)C2CC(C)(C)C2)n1C ZINC000668236266 487517549 /nfs/dbraw/zinc/51/75/49/487517549.db2.gz GDKHPIRQOCYBRV-UHFFFAOYSA-N 2 2 221.348 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)C2CC(C)(C)C2)n1C ZINC000668236266 487517553 /nfs/dbraw/zinc/51/75/53/487517553.db2.gz GDKHPIRQOCYBRV-UHFFFAOYSA-N 2 2 221.348 2.349 20 0 BEADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1 ZINC000334849472 487573509 /nfs/dbraw/zinc/57/35/09/487573509.db2.gz VVBLHNDZJIADDZ-YUMQZZPRSA-N 2 2 245.779 2.156 20 0 BEADLP CCc1ccc(C[N@H+](CC)CC[NH3+])s1 ZINC000231819328 487627712 /nfs/dbraw/zinc/62/77/12/487627712.db2.gz FDXPPZHCTJIXOT-UHFFFAOYSA-N 2 2 212.362 2.091 20 0 BEADLP CCc1ccc(C[N@@H+](CC)CC[NH3+])s1 ZINC000231819328 487627720 /nfs/dbraw/zinc/62/77/20/487627720.db2.gz FDXPPZHCTJIXOT-UHFFFAOYSA-N 2 2 212.362 2.091 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000666948061 487890890 /nfs/dbraw/zinc/89/08/90/487890890.db2.gz SAFDMFZNCFMURU-MOLYVOAJSA-N 2 2 228.355 2.101 20 0 BEADLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000234975393 487898610 /nfs/dbraw/zinc/89/86/10/487898610.db2.gz DEIMLDYIZGMSLI-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[NH+](C)C ZINC000682642047 488005047 /nfs/dbraw/zinc/00/50/47/488005047.db2.gz MWLMJXYHYUBGAN-IYXRBSQSSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc2[nH+]cc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)n21 ZINC000668675892 488095666 /nfs/dbraw/zinc/09/56/66/488095666.db2.gz ILVBSSILVDLWPN-CHWSQXEVSA-N 2 2 241.338 2.485 20 0 BEADLP CCC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000403779004 488136626 /nfs/dbraw/zinc/13/66/26/488136626.db2.gz XDXIVFUSFSEBNQ-KBXIAJHMSA-N 2 2 236.403 2.497 20 0 BEADLP CCC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000403779004 488136632 /nfs/dbraw/zinc/13/66/32/488136632.db2.gz XDXIVFUSFSEBNQ-KBXIAJHMSA-N 2 2 236.403 2.497 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859192 488140642 /nfs/dbraw/zinc/14/06/42/488140642.db2.gz HXBNAAZKLKQOKG-APIJFGDWSA-N 2 2 234.387 2.249 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667859192 488140645 /nfs/dbraw/zinc/14/06/45/488140645.db2.gz HXBNAAZKLKQOKG-APIJFGDWSA-N 2 2 234.387 2.249 20 0 BEADLP Fc1cccc([C@@H]2CC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000677984783 488169140 /nfs/dbraw/zinc/16/91/40/488169140.db2.gz PWQRLQFFJUNJLH-AWEZNQCLSA-N 2 2 245.301 2.469 20 0 BEADLP Fc1cccc([C@@H]2CC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000677984783 488169144 /nfs/dbraw/zinc/16/91/44/488169144.db2.gz PWQRLQFFJUNJLH-AWEZNQCLSA-N 2 2 245.301 2.469 20 0 BEADLP c1[nH+]c2n(c1C[N@H+]1CCCC3(CC3)C1)CCC2 ZINC000667998842 488179156 /nfs/dbraw/zinc/17/91/56/488179156.db2.gz LACWUHOAQPUCNL-UHFFFAOYSA-N 2 2 231.343 2.205 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C3CC3)C2)n1C ZINC000668175455 488214910 /nfs/dbraw/zinc/21/49/10/488214910.db2.gz YAHRZUMMMXROHR-ZDUSSCGKSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C3CC3)C2)n1C ZINC000668175455 488214913 /nfs/dbraw/zinc/21/49/13/488214913.db2.gz YAHRZUMMMXROHR-ZDUSSCGKSA-N 2 2 233.359 2.351 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)n1C ZINC000668178333 488214932 /nfs/dbraw/zinc/21/49/32/488214932.db2.gz TYDRJBALIZAGPC-SECBINFHSA-N 2 2 243.301 2.206 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)n1C ZINC000668178333 488214935 /nfs/dbraw/zinc/21/49/35/488214935.db2.gz TYDRJBALIZAGPC-SECBINFHSA-N 2 2 243.301 2.206 20 0 BEADLP CC[C@H]1CC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668189998 488218808 /nfs/dbraw/zinc/21/88/08/488218808.db2.gz WXKHQYLNGCXFLS-LBPRGKRZSA-N 2 2 242.326 2.252 20 0 BEADLP CC[C@H]1CC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668189998 488218810 /nfs/dbraw/zinc/21/88/10/488218810.db2.gz WXKHQYLNGCXFLS-LBPRGKRZSA-N 2 2 242.326 2.252 20 0 BEADLP Cc1cnc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000678219500 488218978 /nfs/dbraw/zinc/21/89/78/488218978.db2.gz TZBWJLPITGDBGK-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1cnc(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000678219500 488218982 /nfs/dbraw/zinc/21/89/82/488218982.db2.gz TZBWJLPITGDBGK-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c(C)n1 ZINC000678411631 488252378 /nfs/dbraw/zinc/25/23/78/488252378.db2.gz HJMQZEYINYSMER-LBPRGKRZSA-N 2 2 244.342 2.246 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000672550873 488258950 /nfs/dbraw/zinc/25/89/50/488258950.db2.gz NUHIBOMIGSGYGY-ZDUSSCGKSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCOC2CCC2)C1 ZINC000672550873 488258952 /nfs/dbraw/zinc/25/89/52/488258952.db2.gz NUHIBOMIGSGYGY-ZDUSSCGKSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC[NH+](C)C ZINC000672616524 488261834 /nfs/dbraw/zinc/26/18/34/488261834.db2.gz DIXUXTCDLUASPD-WFASDCNBSA-N 2 2 232.371 2.461 20 0 BEADLP FC(F)(F)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000678891477 488294114 /nfs/dbraw/zinc/29/41/14/488294114.db2.gz HAIFSXSAXGXJEO-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP FC(F)(F)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000678891477 488294116 /nfs/dbraw/zinc/29/41/16/488294116.db2.gz HAIFSXSAXGXJEO-JTQLQIEISA-N 2 2 247.264 2.157 20 0 BEADLP Cc1ccc(CCC[N@@H+](CCO)C(C)C)c[nH+]1 ZINC000684355054 488298780 /nfs/dbraw/zinc/29/87/80/488298780.db2.gz MDELIUVDFQIGOR-UHFFFAOYSA-N 2 2 236.359 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+](CCO)C(C)C)c[nH+]1 ZINC000684355054 488298783 /nfs/dbraw/zinc/29/87/83/488298783.db2.gz MDELIUVDFQIGOR-UHFFFAOYSA-N 2 2 236.359 2.025 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000679068916 488305362 /nfs/dbraw/zinc/30/53/62/488305362.db2.gz SQDSEJCJLPYWQK-VXGBXAGGSA-N 2 2 249.358 2.293 20 0 BEADLP COc1ccc(C)[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679068916 488305365 /nfs/dbraw/zinc/30/53/65/488305365.db2.gz SQDSEJCJLPYWQK-VXGBXAGGSA-N 2 2 249.358 2.293 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679074699 488305899 /nfs/dbraw/zinc/30/58/99/488305899.db2.gz UVSWRKGRRUSCOR-FOGDFJRCSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000679074699 488305901 /nfs/dbraw/zinc/30/59/01/488305901.db2.gz UVSWRKGRRUSCOR-FOGDFJRCSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H](CCCCO)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000679332304 488340766 /nfs/dbraw/zinc/34/07/66/488340766.db2.gz UJRNIGITZIWGGD-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H](C)C2(CO)CC2)c[nH+]1 ZINC000668508420 490342834 /nfs/dbraw/zinc/34/28/34/490342834.db2.gz SWXOTBBHXYOXDP-CYBMUJFWSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@@H+]1C1CC1 ZINC000130290002 490370291 /nfs/dbraw/zinc/37/02/91/490370291.db2.gz ADPGAQLPOHWRRK-AAEUAGOBSA-N 2 2 246.354 2.107 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[N@H+]1C1CC1 ZINC000130290002 490370299 /nfs/dbraw/zinc/37/02/99/490370299.db2.gz ADPGAQLPOHWRRK-AAEUAGOBSA-N 2 2 246.354 2.107 20 0 BEADLP C[C@@H](Cc1ccccc1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538730 491127216 /nfs/dbraw/zinc/12/72/16/491127216.db2.gz AXBSSQZVZNVLGA-AWEZNQCLSA-N 2 2 246.398 2.359 20 0 BEADLP C[C@@H](Cc1ccccc1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538730 491127217 /nfs/dbraw/zinc/12/72/17/491127217.db2.gz AXBSSQZVZNVLGA-AWEZNQCLSA-N 2 2 246.398 2.359 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CCF)C2)n1C ZINC000668591624 491128434 /nfs/dbraw/zinc/12/84/34/491128434.db2.gz CZVWVHSZDWKWDE-LBPRGKRZSA-N 2 2 239.338 2.300 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CCF)C2)n1C ZINC000668591624 491128435 /nfs/dbraw/zinc/12/84/35/491128435.db2.gz CZVWVHSZDWKWDE-LBPRGKRZSA-N 2 2 239.338 2.300 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CC1CCC1 ZINC000132052765 491133987 /nfs/dbraw/zinc/13/39/87/491133987.db2.gz AAGCFTZVPJMPAF-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000309606416 491152321 /nfs/dbraw/zinc/15/23/21/491152321.db2.gz YTGJRQUIDVMOMP-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000309606416 491152322 /nfs/dbraw/zinc/15/23/22/491152322.db2.gz YTGJRQUIDVMOMP-RISCZKNCSA-N 2 2 222.376 2.249 20 0 BEADLP CC1(C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000309762015 491156048 /nfs/dbraw/zinc/15/60/48/491156048.db2.gz IWCLXLUHQSVVNV-UHFFFAOYSA-N 2 2 219.332 2.273 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000309071112 533736734 /nfs/dbraw/zinc/73/67/34/533736734.db2.gz DAUGSZZKFQFBME-WOPDTQHZSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424192116 533965283 /nfs/dbraw/zinc/96/52/83/533965283.db2.gz INDOGOOBXBHLLE-UEEZHKSASA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424192116 533965285 /nfs/dbraw/zinc/96/52/85/533965285.db2.gz INDOGOOBXBHLLE-UEEZHKSASA-N 2 2 234.387 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000487574474 533993291 /nfs/dbraw/zinc/99/32/91/533993291.db2.gz NGNKPQFSBMKYEM-TUAOUCFPSA-N 2 2 233.359 2.222 20 0 BEADLP CCC[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000229012002 519860719 /nfs/dbraw/zinc/86/07/19/519860719.db2.gz OEEOSZLZZRWFJL-UHFFFAOYSA-N 2 2 244.342 2.095 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001172927638 974973584 /nfs/dbraw/zinc/97/35/84/974973584.db2.gz YYHCJJAIWZSMQF-IHRRRGAJSA-N 2 2 240.391 2.016 20 0 BEADLP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001172927638 974973591 /nfs/dbraw/zinc/97/35/91/974973591.db2.gz YYHCJJAIWZSMQF-IHRRRGAJSA-N 2 2 240.391 2.016 20 0 BEADLP CCOC[C@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000494228121 528977981 /nfs/dbraw/zinc/97/79/81/528977981.db2.gz SYFFCJOWRVYDHB-LBPRGKRZSA-N 2 2 247.342 2.157 20 0 BEADLP CC1(C)C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000045117163 534932404 /nfs/dbraw/zinc/93/24/04/534932404.db2.gz IBICQVVASYLJMU-CYBMUJFWSA-N 2 2 245.370 2.439 20 0 BEADLP CC(C)Oc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000261548229 535037653 /nfs/dbraw/zinc/03/76/53/535037653.db2.gz JDJXYRNZAIVATI-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000261548229 535037657 /nfs/dbraw/zinc/03/76/57/535037657.db2.gz JDJXYRNZAIVATI-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CC[C@@H](C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000086931049 535513269 /nfs/dbraw/zinc/51/32/69/535513269.db2.gz USTBBZAKRNRBHF-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931049 535513257 /nfs/dbraw/zinc/51/32/57/535513257.db2.gz USTBBZAKRNRBHF-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931049 535513261 /nfs/dbraw/zinc/51/32/61/535513261.db2.gz USTBBZAKRNRBHF-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H](C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086931049 535513266 /nfs/dbraw/zinc/51/32/66/535513266.db2.gz USTBBZAKRNRBHF-CHWSQXEVSA-N 2 2 210.365 2.203 20 0 BEADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1nccs1 ZINC000070717167 535802702 /nfs/dbraw/zinc/80/27/02/535802702.db2.gz OALNFOZSNXOFJH-LLVKDONJSA-N 2 2 239.388 2.278 20 0 BEADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000086727252 535947522 /nfs/dbraw/zinc/94/75/22/535947522.db2.gz HOHSUJUNAXSJJZ-KBPBESRZSA-N 2 2 218.344 2.398 20 0 BEADLP CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](C)[NH3+] ZINC000261581264 535966601 /nfs/dbraw/zinc/96/66/01/535966601.db2.gz NLLXJYOJVYUDNF-MWLCHTKSSA-N 2 2 224.373 2.405 20 0 BEADLP CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](C)[NH3+] ZINC000261581264 535966604 /nfs/dbraw/zinc/96/66/04/535966604.db2.gz NLLXJYOJVYUDNF-MWLCHTKSSA-N 2 2 224.373 2.405 20 0 BEADLP CC[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000070643610 536094053 /nfs/dbraw/zinc/09/40/53/536094053.db2.gz BQEXHZMYFCZFFR-NWDGAFQWSA-N 2 2 207.321 2.051 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000853248901 588729110 /nfs/dbraw/zinc/72/91/10/588729110.db2.gz LPSPBTOAGSQSCI-LLVKDONJSA-N 2 2 248.370 2.098 20 0 BEADLP Cc1noc(C)c1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000092332215 582855061 /nfs/dbraw/zinc/85/50/61/582855061.db2.gz QELCOAFBOJPFCL-JTQLQIEISA-N 2 2 248.330 2.229 20 0 BEADLP c1cn(CC[NH2+]C[C@H]2CCc3ccccc32)c[nH+]1 ZINC000892441880 582888136 /nfs/dbraw/zinc/88/81/36/582888136.db2.gz RXNJQIYZKRTOND-CQSZACIVSA-N 2 2 241.338 2.203 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000852749556 583017006 /nfs/dbraw/zinc/01/70/06/583017006.db2.gz MMZOBZKZZBJMAY-CQSZACIVSA-N 2 2 232.371 2.258 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC000852749556 583017009 /nfs/dbraw/zinc/01/70/09/583017009.db2.gz MMZOBZKZZBJMAY-CQSZACIVSA-N 2 2 232.371 2.258 20 0 BEADLP COc1ccc(C)[nH+]c1NCC1CC[NH+](C)CC1 ZINC000893136531 583055766 /nfs/dbraw/zinc/05/57/66/583055766.db2.gz USHOPNWVOQVVBQ-UHFFFAOYSA-N 2 2 249.358 2.152 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000854231858 583083423 /nfs/dbraw/zinc/08/34/23/583083423.db2.gz JONOCIQFHFCSHP-SMDDNHRTSA-N 2 2 218.344 2.180 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000228128492 583200933 /nfs/dbraw/zinc/20/09/33/583200933.db2.gz HVHIUYJMZDTSNX-STQMWFEESA-N 2 2 248.370 2.092 20 0 BEADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000893967202 583263603 /nfs/dbraw/zinc/26/36/03/583263603.db2.gz XCBNZSCOZULKOP-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncoc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000893967202 583263606 /nfs/dbraw/zinc/26/36/06/583263606.db2.gz XCBNZSCOZULKOP-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP CCc1cc(NCC2([NH2+]C)CCC2)nc(CC)[nH+]1 ZINC000894051225 583289248 /nfs/dbraw/zinc/28/92/48/583289248.db2.gz BTQXULBXNRDKDK-UHFFFAOYSA-N 2 2 248.374 2.155 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+]Cc1cccs1 ZINC000894140637 583316983 /nfs/dbraw/zinc/31/69/83/583316983.db2.gz NDRJBYITBRFAGS-UHFFFAOYSA-N 2 2 233.340 2.324 20 0 BEADLP C[C@H](C[NH2+]Cc1c[nH+]c[nH]1)N(C)c1ccccc1 ZINC000894175052 583326421 /nfs/dbraw/zinc/32/64/21/583326421.db2.gz CKXUSPRBPXPGOC-GFCCVEGCSA-N 2 2 244.342 2.024 20 0 BEADLP Cc1cccc(OC[C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894199838 583336541 /nfs/dbraw/zinc/33/65/41/583336541.db2.gz REPIZJXVBNQPPK-LBPRGKRZSA-N 2 2 245.326 2.275 20 0 BEADLP Cc1ncoc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000894204265 583339374 /nfs/dbraw/zinc/33/93/74/583339374.db2.gz LMQUEJBDSLOXLS-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP CCc1cc(NCC2([NH+](C)C)CC2)nc(CC)[nH+]1 ZINC000894232626 583385198 /nfs/dbraw/zinc/38/51/98/583385198.db2.gz XWSMYBHEWHHABP-UHFFFAOYSA-N 2 2 248.374 2.108 20 0 BEADLP CC(C)[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000894325053 583422932 /nfs/dbraw/zinc/42/29/32/583422932.db2.gz CXSQATQBQWIMFA-CQSZACIVSA-N 2 2 244.342 2.334 20 0 BEADLP c1[nH]c(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c[nH+]1 ZINC000894337963 583427477 /nfs/dbraw/zinc/42/74/77/583427477.db2.gz YTXJWHZAFRBXFP-RBSFLKMASA-N 2 2 239.322 2.085 20 0 BEADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CCC2 ZINC000894430996 583457406 /nfs/dbraw/zinc/45/74/06/583457406.db2.gz INQRTYLQGFUDFR-JTQLQIEISA-N 2 2 248.355 2.342 20 0 BEADLP COC1CCC(CC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000894459650 583464561 /nfs/dbraw/zinc/46/45/61/583464561.db2.gz VNJVHKCAXRTWPJ-UHFFFAOYSA-N 2 2 237.347 2.095 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)co1 ZINC000894778181 583519301 /nfs/dbraw/zinc/51/93/01/583519301.db2.gz YMSCFVHTNIUCRQ-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)co1 ZINC000894778181 583519302 /nfs/dbraw/zinc/51/93/02/583519302.db2.gz YMSCFVHTNIUCRQ-UHFFFAOYSA-N 2 2 224.348 2.362 20 0 BEADLP Cc1coc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000894783414 583521148 /nfs/dbraw/zinc/52/11/48/583521148.db2.gz UALYBFXGTUGXJP-JSGCOSHPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000894783414 583521149 /nfs/dbraw/zinc/52/11/49/583521149.db2.gz UALYBFXGTUGXJP-JSGCOSHPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000894783414 583521150 /nfs/dbraw/zinc/52/11/50/583521150.db2.gz UALYBFXGTUGXJP-JSGCOSHPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000894783414 583521151 /nfs/dbraw/zinc/52/11/51/583521151.db2.gz UALYBFXGTUGXJP-JSGCOSHPSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000894783416 583521605 /nfs/dbraw/zinc/52/16/05/583521605.db2.gz UALYBFXGTUGXJP-TZMCWYRMSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000894783416 583521606 /nfs/dbraw/zinc/52/16/06/583521606.db2.gz UALYBFXGTUGXJP-TZMCWYRMSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000894783416 583521607 /nfs/dbraw/zinc/52/16/07/583521607.db2.gz UALYBFXGTUGXJP-TZMCWYRMSA-N 2 2 236.359 2.360 20 0 BEADLP Cc1coc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000894783416 583521608 /nfs/dbraw/zinc/52/16/08/583521608.db2.gz UALYBFXGTUGXJP-TZMCWYRMSA-N 2 2 236.359 2.360 20 0 BEADLP C[C@H]1C[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068469 583578838 /nfs/dbraw/zinc/57/88/38/583578838.db2.gz ASFFGKKXGNBCEY-WDEREUQCSA-N 2 2 231.343 2.303 20 0 BEADLP C[C@H]1C[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068469 583578839 /nfs/dbraw/zinc/57/88/39/583578839.db2.gz ASFFGKKXGNBCEY-WDEREUQCSA-N 2 2 231.343 2.303 20 0 BEADLP CC(C)C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068324 583578927 /nfs/dbraw/zinc/57/89/27/583578927.db2.gz UDQUVNOGNHIHAH-UHFFFAOYSA-N 2 2 219.332 2.303 20 0 BEADLP CC(C)C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068324 583578928 /nfs/dbraw/zinc/57/89/28/583578928.db2.gz UDQUVNOGNHIHAH-UHFFFAOYSA-N 2 2 219.332 2.303 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068467 583579009 /nfs/dbraw/zinc/57/90/09/583579009.db2.gz ASFFGKKXGNBCEY-MNOVXSKESA-N 2 2 231.343 2.303 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068467 583579010 /nfs/dbraw/zinc/57/90/10/583579010.db2.gz ASFFGKKXGNBCEY-MNOVXSKESA-N 2 2 231.343 2.303 20 0 BEADLP Cc1[nH+]ccn1CCNc1nc(C)[nH+]c(C)c1C ZINC000895113824 583591783 /nfs/dbraw/zinc/59/17/83/583591783.db2.gz AVRFDVWPAVDDIX-UHFFFAOYSA-N 2 2 245.330 2.019 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H](C)[NH+](C)C ZINC000895294474 583638179 /nfs/dbraw/zinc/63/81/79/583638179.db2.gz QCQUHPHQIUOGOM-AWEZNQCLSA-N 3 2 249.402 2.252 20 0 BEADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)CC(F)(F)F ZINC000895360670 583659801 /nfs/dbraw/zinc/65/98/01/583659801.db2.gz UGNNTARBXGOAPH-UHFFFAOYSA-N 2 2 235.253 2.478 20 0 BEADLP C1=C[C@@H](CCC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000895475619 583679456 /nfs/dbraw/zinc/67/94/56/583679456.db2.gz YSKOLDUDAAFYKT-LLVKDONJSA-N 2 2 205.305 2.246 20 0 BEADLP FC[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895571825 583691810 /nfs/dbraw/zinc/69/18/10/583691810.db2.gz AAOKPPIWIRSZST-NSHDSACASA-N 2 2 233.290 2.126 20 0 BEADLP FC[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895571825 583691811 /nfs/dbraw/zinc/69/18/11/583691811.db2.gz AAOKPPIWIRSZST-NSHDSACASA-N 2 2 233.290 2.126 20 0 BEADLP CCN1CC[C@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000895668614 583705618 /nfs/dbraw/zinc/70/56/18/583705618.db2.gz PAGCKVMJFUDEGH-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+]CCc1ccc(C)cc1 ZINC000895670083 583706093 /nfs/dbraw/zinc/70/60/93/583706093.db2.gz BEPVVONHGLMUON-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+]CCc1ccc(C)cc1 ZINC000895670083 583706094 /nfs/dbraw/zinc/70/60/94/583706094.db2.gz BEPVVONHGLMUON-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP CC1([NH+]2CCC2)CC[NH+](CC2(F)CC2)CC1 ZINC000895670416 583706355 /nfs/dbraw/zinc/70/63/55/583706355.db2.gz HGKJPTFCERBRBY-UHFFFAOYSA-N 2 2 226.339 2.049 20 0 BEADLP CC[N@@H+]1CC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000895672361 583706843 /nfs/dbraw/zinc/70/68/43/583706843.db2.gz SJHWKOKLJIBAJZ-LBPRGKRZSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000895672361 583706845 /nfs/dbraw/zinc/70/68/45/583706845.db2.gz SJHWKOKLJIBAJZ-LBPRGKRZSA-N 2 2 208.349 2.003 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000895739975 583713998 /nfs/dbraw/zinc/71/39/98/583713998.db2.gz KXICZGRXNPYVLE-ZYHUDNBSSA-N 2 2 246.358 2.167 20 0 BEADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000895739975 583713999 /nfs/dbraw/zinc/71/39/99/583713999.db2.gz KXICZGRXNPYVLE-ZYHUDNBSSA-N 2 2 246.358 2.167 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000896555598 583811398 /nfs/dbraw/zinc/81/13/98/583811398.db2.gz PGJPIEQZJSNZCZ-OEAJRASXSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000896555598 583811400 /nfs/dbraw/zinc/81/14/00/583811400.db2.gz PGJPIEQZJSNZCZ-OEAJRASXSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1[C@H]([NH2+]CC2Cc3ccccc3C2)CC[N@@H+]1C ZINC000896555563 583811519 /nfs/dbraw/zinc/81/15/19/583811519.db2.gz OPRMNVFOZGQDSW-BLLLJJGKSA-N 2 2 244.382 2.084 20 0 BEADLP C[C@H]1[C@H]([NH2+]CC2Cc3ccccc3C2)CC[N@H+]1C ZINC000896555563 583811520 /nfs/dbraw/zinc/81/15/20/583811520.db2.gz OPRMNVFOZGQDSW-BLLLJJGKSA-N 2 2 244.382 2.084 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H]2C)cn1 ZINC000896555944 583811590 /nfs/dbraw/zinc/81/15/90/583811590.db2.gz SKIMVAFFDBRXHJ-ZFWWWQNUSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)cn1 ZINC000896555944 583811592 /nfs/dbraw/zinc/81/15/92/583811592.db2.gz SKIMVAFFDBRXHJ-ZFWWWQNUSA-N 2 2 247.386 2.005 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000896553609 583811838 /nfs/dbraw/zinc/81/18/38/583811838.db2.gz DPMCBRZIJLJVFG-ZFWWWQNUSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000896553609 583811839 /nfs/dbraw/zinc/81/18/39/583811839.db2.gz DPMCBRZIJLJVFG-ZFWWWQNUSA-N 2 2 232.371 2.220 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@@H+]1C ZINC000896554147 583812006 /nfs/dbraw/zinc/81/20/06/583812006.db2.gz HUFFABBIENMPJL-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC3(CCC3)C2)CC[N@H+]1C ZINC000896554147 583812008 /nfs/dbraw/zinc/81/20/08/583812008.db2.gz HUFFABBIENMPJL-JQWIXIFHSA-N 2 2 208.349 2.001 20 0 BEADLP CCn1c[nH+]c2c1CCN(c1cccc(C)[nH+]1)C2 ZINC000896661194 583820818 /nfs/dbraw/zinc/82/08/18/583820818.db2.gz ZZXSNOCBUSRUGJ-UHFFFAOYSA-N 2 2 242.326 2.169 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000840721723 583920688 /nfs/dbraw/zinc/92/06/88/583920688.db2.gz WFBVPVUEXIQMLW-QWHCGFSZSA-N 2 2 248.370 2.358 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000840721723 583920689 /nfs/dbraw/zinc/92/06/89/583920689.db2.gz WFBVPVUEXIQMLW-QWHCGFSZSA-N 2 2 248.370 2.358 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438316 583983488 /nfs/dbraw/zinc/98/34/88/583983488.db2.gz AEIKBXBAYCSMSI-BXUZGUMPSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000897438316 583983490 /nfs/dbraw/zinc/98/34/90/583983490.db2.gz AEIKBXBAYCSMSI-BXUZGUMPSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCCCO1 ZINC000858367597 588948897 /nfs/dbraw/zinc/94/88/97/588948897.db2.gz SJCSPVAYVBBSDO-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1CCCCO1 ZINC000858367597 588948898 /nfs/dbraw/zinc/94/88/98/588948898.db2.gz SJCSPVAYVBBSDO-IHRRRGAJSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841020743 584021316 /nfs/dbraw/zinc/02/13/16/584021316.db2.gz UWPKTVVSYZWOMA-CYBMUJFWSA-N 2 2 247.386 2.259 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000841020743 584021318 /nfs/dbraw/zinc/02/13/18/584021318.db2.gz UWPKTVVSYZWOMA-CYBMUJFWSA-N 2 2 247.386 2.259 20 0 BEADLP CCn1c[nH+]cc1C[NH2+][C@H](C)c1cncs1 ZINC000897930263 584061237 /nfs/dbraw/zinc/06/12/37/584061237.db2.gz LTJWQQNBVIBOQW-SECBINFHSA-N 2 2 236.344 2.210 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)C[N@@H+]1C1CC1 ZINC000897954354 584064611 /nfs/dbraw/zinc/06/46/11/584064611.db2.gz CSYGSFXDMQMJBA-RKEKIRQTSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)C[N@H+]1C1CC1 ZINC000897954354 584064612 /nfs/dbraw/zinc/06/46/12/584064612.db2.gz CSYGSFXDMQMJBA-RKEKIRQTSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)C[N@@H+]1C1CC1 ZINC000897954353 584064742 /nfs/dbraw/zinc/06/47/42/584064742.db2.gz CSYGSFXDMQMJBA-GGUBGCTKSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)C[N@H+]1C1CC1 ZINC000897954353 584064744 /nfs/dbraw/zinc/06/47/44/584064744.db2.gz CSYGSFXDMQMJBA-GGUBGCTKSA-N 2 2 234.387 2.390 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1C[C@@H]3CCC[C@H]13)CCC2 ZINC000897959909 584067458 /nfs/dbraw/zinc/06/74/58/584067458.db2.gz XXEGAESJHFOLKM-WCFLWFBJSA-N 2 2 231.343 2.108 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCC1 ZINC000898034500 584078280 /nfs/dbraw/zinc/07/82/80/584078280.db2.gz RBGGFSYWWFHMLY-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC000898034500 584078281 /nfs/dbraw/zinc/07/82/81/584078281.db2.gz RBGGFSYWWFHMLY-GFCCVEGCSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC=CC[C@H]2C)n1C ZINC000898223966 584102257 /nfs/dbraw/zinc/10/22/57/584102257.db2.gz LBJRJFNJSAVVAX-ZWNOBZJWSA-N 2 2 219.332 2.173 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C ZINC000898316285 584110969 /nfs/dbraw/zinc/11/09/69/584110969.db2.gz OGYWXLJQVDFWDZ-AGIUHOORSA-N 2 2 212.381 2.351 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+]C/C=C/Cl)s1 ZINC000898427986 584133292 /nfs/dbraw/zinc/13/32/92/584133292.db2.gz FXMNXTRFTGDVKZ-ONEGZZNKSA-N 2 2 245.779 2.047 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858532057 588963240 /nfs/dbraw/zinc/96/32/40/588963240.db2.gz KKNAYNZMCLSOAT-MRVWCRGKSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000858532057 588963241 /nfs/dbraw/zinc/96/32/41/588963241.db2.gz KKNAYNZMCLSOAT-MRVWCRGKSA-N 2 2 222.376 2.391 20 0 BEADLP Cc1cc2[nH+]ccn2c(C2=CC[NH2+]CC2)c1 ZINC000899324483 584196375 /nfs/dbraw/zinc/19/63/75/584196375.db2.gz XVBFIDSFLHUWOM-UHFFFAOYSA-N 2 2 213.284 2.019 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000858567302 588967319 /nfs/dbraw/zinc/96/73/19/588967319.db2.gz VMMIBVITZBHPMJ-XQQFMLRXSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000858567302 588967320 /nfs/dbraw/zinc/96/73/20/588967320.db2.gz VMMIBVITZBHPMJ-XQQFMLRXSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@H](C)[NH2+]1 ZINC000858822187 588977595 /nfs/dbraw/zinc/97/75/95/588977595.db2.gz IZQAELQZQCBXDK-NWDGAFQWSA-N 2 2 248.374 2.177 20 0 BEADLP CCNc1ccccc1C[NH2+]CC[NH+]1CCCC1 ZINC000902038433 584515199 /nfs/dbraw/zinc/51/51/99/584515199.db2.gz UBUOYYCNKSAUFA-UHFFFAOYSA-N 2 2 247.386 2.304 20 0 BEADLP CNc1ccccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000902063854 584522203 /nfs/dbraw/zinc/52/22/03/584522203.db2.gz JWBFMPQPKBNMDM-GFCCVEGCSA-N 2 2 244.342 2.103 20 0 BEADLP CCNc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000902104279 584523973 /nfs/dbraw/zinc/52/39/73/584523973.db2.gz ODCAXXUDEKQWDV-AWEZNQCLSA-N 2 2 247.386 2.302 20 0 BEADLP CCNc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000902104279 584523974 /nfs/dbraw/zinc/52/39/74/584523974.db2.gz ODCAXXUDEKQWDV-AWEZNQCLSA-N 2 2 247.386 2.302 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000902089987 584524216 /nfs/dbraw/zinc/52/42/16/584524216.db2.gz LMPDPVWIPIZVRV-AWEZNQCLSA-N 2 2 247.386 2.221 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000902089987 584524217 /nfs/dbraw/zinc/52/42/17/584524217.db2.gz LMPDPVWIPIZVRV-AWEZNQCLSA-N 2 2 247.386 2.221 20 0 BEADLP CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)nc(C)[nH+]1 ZINC000902229591 584541811 /nfs/dbraw/zinc/54/18/11/584541811.db2.gz VHGNEMTWNISMNM-UHFFFAOYSA-N 2 2 245.330 2.299 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1nccc2ccccc21 ZINC000902408189 584574943 /nfs/dbraw/zinc/57/49/43/584574943.db2.gz YDKJADXUJRBWJV-NSHDSACASA-N 2 2 241.338 2.377 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(F)F ZINC000902401697 584587398 /nfs/dbraw/zinc/58/73/98/584587398.db2.gz BJRWNKHYIZYMCQ-BDAKNGLRSA-N 2 2 220.307 2.008 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CC2)oc1C ZINC000902403699 584588021 /nfs/dbraw/zinc/58/80/21/584588021.db2.gz AORUFEPGVFJGEQ-SECBINFHSA-N 2 2 208.305 2.038 20 0 BEADLP [NH3+]C1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000902404895 584589289 /nfs/dbraw/zinc/58/92/89/584589289.db2.gz GSSDPRLWZTXGTL-GFCCVEGCSA-N 2 2 248.374 2.112 20 0 BEADLP COc1cc(C)ccc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415438 584589523 /nfs/dbraw/zinc/58/95/23/584589523.db2.gz NWVODEYAYMMTIO-NSHDSACASA-N 2 2 234.343 2.146 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000902433366 584595922 /nfs/dbraw/zinc/59/59/22/584595922.db2.gz JNEIRUIRVFULLL-LCGIIJARSA-N 2 2 242.366 2.389 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902435312 584596607 /nfs/dbraw/zinc/59/66/07/584596607.db2.gz BJEZECAQTUPINK-DZGBDDFRSA-N 2 2 230.355 2.389 20 0 BEADLP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000902443196 584598109 /nfs/dbraw/zinc/59/81/09/584598109.db2.gz DODQCZIGYAOOBC-FZMZJTMJSA-N 2 2 248.370 2.344 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000902444305 584598474 /nfs/dbraw/zinc/59/84/74/584598474.db2.gz NBDBVBSCHQMPLS-YPMHNXCESA-N 2 2 234.343 2.245 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902472499 584601370 /nfs/dbraw/zinc/60/13/70/584601370.db2.gz BHGAXDNSLYWGSY-WBMYTEFPSA-N 2 2 234.318 2.369 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccs1 ZINC000902473485 584602060 /nfs/dbraw/zinc/60/20/60/584602060.db2.gz ZYDKNQUERCMRLY-ZRUFSTJUSA-N 2 2 222.357 2.292 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902477881 584603600 /nfs/dbraw/zinc/60/36/00/584603600.db2.gz USXWENJWLLLWCW-TTYNXUAHSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902477879 584603641 /nfs/dbraw/zinc/60/36/41/584603641.db2.gz USXWENJWLLLWCW-HJRAGWGGSA-N 2 2 242.366 2.402 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902447031 584604181 /nfs/dbraw/zinc/60/41/81/584604181.db2.gz QHBKSSLVCYUQKK-YPMHNXCESA-N 2 2 218.344 2.335 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccncc1 ZINC000902464094 584612313 /nfs/dbraw/zinc/61/23/13/584612313.db2.gz AELAFRVWAYTADB-YIYPIFLZSA-N 2 2 231.343 2.015 20 0 BEADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465306 584613545 /nfs/dbraw/zinc/61/35/45/584613545.db2.gz FJDLFYOTOXLUFK-ZGKBOVNRSA-N 2 2 246.329 2.296 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccnc1 ZINC000902470249 584616286 /nfs/dbraw/zinc/61/62/86/584616286.db2.gz VIOCDYZTYWZASW-GBJTYRQASA-N 2 2 245.370 2.405 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccoc1 ZINC000902481707 584624184 /nfs/dbraw/zinc/62/41/84/584624184.db2.gz FYWQUTOWMPLVGF-AAEUAGOBSA-N 2 2 222.332 2.462 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cncs1 ZINC000902482175 584624324 /nfs/dbraw/zinc/62/43/24/584624324.db2.gz KBHCCJUGHPFAQL-WDEREUQCSA-N 2 2 239.388 2.326 20 0 BEADLP C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902521280 584631530 /nfs/dbraw/zinc/63/15/30/584631530.db2.gz QYFFCTKFXXOCOS-BYCMXARLSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902521283 584631658 /nfs/dbraw/zinc/63/16/58/584631658.db2.gz QYFFCTKFXXOCOS-CQDKDKBSSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902521288 584631695 /nfs/dbraw/zinc/63/16/95/584631695.db2.gz QYFFCTKFXXOCOS-UGFHNGPFSA-N 2 2 245.370 2.263 20 0 BEADLP CCNc1ccccc1C[NH2+]CC1([NH+](C)C)CC1 ZINC000902600118 584640669 /nfs/dbraw/zinc/64/06/69/584640669.db2.gz CJZAVVVBLVITCP-UHFFFAOYSA-N 2 2 247.386 2.302 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000902653876 584651471 /nfs/dbraw/zinc/65/14/71/584651471.db2.gz SELXAQMUSCEEFT-GXTWGEPZSA-N 2 2 247.386 2.219 20 0 BEADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000902653876 584651472 /nfs/dbraw/zinc/65/14/72/584651472.db2.gz SELXAQMUSCEEFT-GXTWGEPZSA-N 2 2 247.386 2.219 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902742733 584663521 /nfs/dbraw/zinc/66/35/21/584663521.db2.gz XCMOPCUMSSWTFK-YIYPIFLZSA-N 2 2 233.359 2.440 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902742731 584663967 /nfs/dbraw/zinc/66/39/67/584663967.db2.gz XCMOPCUMSSWTFK-FQUUOJAGSA-N 2 2 233.359 2.440 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902988708 584708778 /nfs/dbraw/zinc/70/87/78/584708778.db2.gz VALUFKXLHSUCPQ-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c1 ZINC000903017130 584713448 /nfs/dbraw/zinc/71/34/48/584713448.db2.gz PQSIACLLCPRFCH-DABQJJPHSA-N 2 2 233.359 2.131 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCC[C@H]1OC)[NH+]1CCCC1 ZINC000903067022 584723427 /nfs/dbraw/zinc/72/34/27/584723427.db2.gz QQAGKQTVYJLPDY-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000903071040 584726317 /nfs/dbraw/zinc/72/63/17/584726317.db2.gz GSVCSFJBWGRPLB-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CCO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000903071040 584726318 /nfs/dbraw/zinc/72/63/18/584726318.db2.gz GSVCSFJBWGRPLB-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198648 584734692 /nfs/dbraw/zinc/73/46/92/584734692.db2.gz NWNHEIRRJKTCGQ-RISCZKNCSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000903253959 584739588 /nfs/dbraw/zinc/73/95/88/584739588.db2.gz NBNYTIKFXXYXJU-JMDLWMOSSA-N 2 2 234.387 2.246 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000903253959 584739589 /nfs/dbraw/zinc/73/95/89/584739589.db2.gz NBNYTIKFXXYXJU-JMDLWMOSSA-N 2 2 234.387 2.246 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300547 584743862 /nfs/dbraw/zinc/74/38/62/584743862.db2.gz HUXACVBSVJZPRM-SGMGOOAPSA-N 2 2 233.359 2.133 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300547 584743863 /nfs/dbraw/zinc/74/38/63/584743863.db2.gz HUXACVBSVJZPRM-SGMGOOAPSA-N 2 2 233.359 2.133 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903302293 584744391 /nfs/dbraw/zinc/74/43/91/584744391.db2.gz YQKBOCKAMAHYLZ-GRYCIOLGSA-N 2 2 212.381 2.493 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903302293 584744392 /nfs/dbraw/zinc/74/43/92/584744392.db2.gz YQKBOCKAMAHYLZ-GRYCIOLGSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@@H+]1C ZINC000903300968 584744696 /nfs/dbraw/zinc/74/46/96/584744696.db2.gz LVIBIKGKRYEQNW-WTIISPKJSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H]1[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)CC[N@H+]1C ZINC000903300968 584744697 /nfs/dbraw/zinc/74/46/97/584744697.db2.gz LVIBIKGKRYEQNW-WTIISPKJSA-N 2 2 240.391 2.015 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903301727 584744708 /nfs/dbraw/zinc/74/47/08/584744708.db2.gz SZQZHELTIWVDPF-MDZLAQPJSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301727 584744709 /nfs/dbraw/zinc/74/47/09/584744709.db2.gz SZQZHELTIWVDPF-MDZLAQPJSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429811 584761792 /nfs/dbraw/zinc/76/17/92/584761792.db2.gz WUPZUQWKJHNSQZ-DFBGVHRSSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccncc1)C1CC1 ZINC000903429811 584761793 /nfs/dbraw/zinc/76/17/93/584761793.db2.gz WUPZUQWKJHNSQZ-DFBGVHRSSA-N 2 2 245.370 2.072 20 0 BEADLP CC(C)C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439537 584762508 /nfs/dbraw/zinc/76/25/08/584762508.db2.gz JVSLUFYULHOBSS-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439537 584762509 /nfs/dbraw/zinc/76/25/09/584762509.db2.gz JVSLUFYULHOBSS-ZIAGYGMSSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439698 584762513 /nfs/dbraw/zinc/76/25/13/584762513.db2.gz LUTLMXBOCNQGGP-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1CCC[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903439698 584762514 /nfs/dbraw/zinc/76/25/14/584762514.db2.gz LUTLMXBOCNQGGP-RWMBFGLXSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440415 584763179 /nfs/dbraw/zinc/76/31/79/584763179.db2.gz XAMLJKHLZAFGAF-IUODEOHRSA-N 2 2 230.355 2.185 20 0 BEADLP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440415 584763181 /nfs/dbraw/zinc/76/31/81/584763181.db2.gz XAMLJKHLZAFGAF-IUODEOHRSA-N 2 2 230.355 2.185 20 0 BEADLP CC[C@](C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(F)(F)F ZINC000903441356 584763970 /nfs/dbraw/zinc/76/39/70/584763970.db2.gz OPMOHLOALWGUKN-UTLUCORTSA-N 2 2 238.297 2.434 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903460092 584766449 /nfs/dbraw/zinc/76/64/49/584766449.db2.gz XBPTTWKYZLFZCO-GFCCVEGCSA-N 2 2 232.318 2.250 20 0 BEADLP CC(F)(F)CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903460092 584766450 /nfs/dbraw/zinc/76/64/50/584766450.db2.gz XBPTTWKYZLFZCO-GFCCVEGCSA-N 2 2 232.318 2.250 20 0 BEADLP FC(F)(F)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481409 584778171 /nfs/dbraw/zinc/77/81/71/584778171.db2.gz AZQAFCVEPRJSLL-VIFPVBQESA-N 2 2 236.281 2.203 20 0 BEADLP FC(F)(F)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481408 584778235 /nfs/dbraw/zinc/77/82/35/584778235.db2.gz AZQAFCVEPRJSLL-SECBINFHSA-N 2 2 236.281 2.203 20 0 BEADLP CC1(C)C[N@H+](CCCCC(F)(F)F)C[C@H]1[NH3+] ZINC000903556571 584782767 /nfs/dbraw/zinc/78/27/67/584782767.db2.gz AGLXUGURCVJVGZ-SECBINFHSA-N 2 2 238.297 2.388 20 0 BEADLP CC1(C)C[N@@H+](CCCCC(F)(F)F)C[C@H]1[NH3+] ZINC000903556571 584782768 /nfs/dbraw/zinc/78/27/68/584782768.db2.gz AGLXUGURCVJVGZ-SECBINFHSA-N 2 2 238.297 2.388 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903713296 584793528 /nfs/dbraw/zinc/79/35/28/584793528.db2.gz LTZBVIQZAGNWDV-PYNQCMFNSA-N 2 2 210.365 2.234 20 0 BEADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903713296 584793530 /nfs/dbraw/zinc/79/35/30/584793530.db2.gz LTZBVIQZAGNWDV-PYNQCMFNSA-N 2 2 210.365 2.234 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1CF)C2 ZINC000903770197 584798053 /nfs/dbraw/zinc/79/80/53/584798053.db2.gz UGBFFDJSPSWHIJ-CABCVRRESA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1CF)C2 ZINC000903770197 584798054 /nfs/dbraw/zinc/79/80/54/584798054.db2.gz UGBFFDJSPSWHIJ-CABCVRRESA-N 2 2 248.345 2.469 20 0 BEADLP CC1CC(C[N@@H+]2CC[NH2+]CCC2(C)C)C1 ZINC000903779459 584799516 /nfs/dbraw/zinc/79/95/16/584799516.db2.gz ZYLZGWMWNSTFHZ-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP CC1CC(C[N@H+]2CC[NH2+]CCC2(C)C)C1 ZINC000903779459 584799518 /nfs/dbraw/zinc/79/95/18/584799518.db2.gz ZYLZGWMWNSTFHZ-UHFFFAOYSA-N 2 2 210.365 2.106 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903780841 584799733 /nfs/dbraw/zinc/79/97/33/584799733.db2.gz MNXNHRXLOJDRBL-GJZGRUSLSA-N 2 2 248.345 2.482 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000903780841 584799734 /nfs/dbraw/zinc/79/97/34/584799734.db2.gz MNXNHRXLOJDRBL-GJZGRUSLSA-N 2 2 248.345 2.482 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000903782134 584800371 /nfs/dbraw/zinc/80/03/71/584800371.db2.gz ZWNPHONXCMZZTQ-CABCVRRESA-N 2 2 245.370 2.025 20 0 BEADLP CC(C)CC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796822 584800715 /nfs/dbraw/zinc/80/07/15/584800715.db2.gz YZQXOFVSLTXHMU-CHWSQXEVSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)CC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903796822 584800718 /nfs/dbraw/zinc/80/07/18/584800718.db2.gz YZQXOFVSLTXHMU-CHWSQXEVSA-N 2 2 210.365 2.236 20 0 BEADLP CCCCOCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903797889 584800785 /nfs/dbraw/zinc/80/07/85/584800785.db2.gz KRBUMDJCBXOJBP-KBPBESRZSA-N 2 2 240.391 2.006 20 0 BEADLP CCCCOCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903797889 584800787 /nfs/dbraw/zinc/80/07/87/584800787.db2.gz KRBUMDJCBXOJBP-KBPBESRZSA-N 2 2 240.391 2.006 20 0 BEADLP CC(C)CC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796824 584801154 /nfs/dbraw/zinc/80/11/54/584801154.db2.gz YZQXOFVSLTXHMU-QWHCGFSZSA-N 2 2 210.365 2.236 20 0 BEADLP CC(C)CC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903796824 584801155 /nfs/dbraw/zinc/80/11/55/584801155.db2.gz YZQXOFVSLTXHMU-QWHCGFSZSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799779 584801413 /nfs/dbraw/zinc/80/14/13/584801413.db2.gz SNIDZJCIGYYVGS-RWMBFGLXSA-N 2 2 210.365 2.236 20 0 BEADLP CC[C@H](C)C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903799779 584801414 /nfs/dbraw/zinc/80/14/14/584801414.db2.gz SNIDZJCIGYYVGS-RWMBFGLXSA-N 2 2 210.365 2.236 20 0 BEADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccon2)CCC1 ZINC000903810353 584803557 /nfs/dbraw/zinc/80/35/57/584803557.db2.gz BHOAKEOLVLZWKE-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccon2)CCC1 ZINC000903810353 584803558 /nfs/dbraw/zinc/80/35/58/584803558.db2.gz BHOAKEOLVLZWKE-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c(C)s1 ZINC000903822314 584804013 /nfs/dbraw/zinc/80/40/13/584804013.db2.gz ZROCTZKNFGJNHJ-LBPRGKRZSA-N 2 2 238.400 2.453 20 0 BEADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903859861 584810659 /nfs/dbraw/zinc/81/06/59/584810659.db2.gz PEHYJLYAXCQQJS-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP COc1ccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903859861 584810660 /nfs/dbraw/zinc/81/06/60/584810660.db2.gz PEHYJLYAXCQQJS-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP FCc1ccccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870307 584814495 /nfs/dbraw/zinc/81/44/95/584814495.db2.gz MQODTTZJROTEKN-HNNXBMFYSA-N 2 2 248.345 2.484 20 0 BEADLP FCc1ccccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870307 584814497 /nfs/dbraw/zinc/81/44/97/584814497.db2.gz MQODTTZJROTEKN-HNNXBMFYSA-N 2 2 248.345 2.484 20 0 BEADLP CCCOc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960251 584827599 /nfs/dbraw/zinc/82/75/99/584827599.db2.gz ATPYZOJJGXLBAG-IUODEOHRSA-N 2 2 248.370 2.173 20 0 BEADLP CC(C)C[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951468 584830565 /nfs/dbraw/zinc/83/05/65/584830565.db2.gz YHCVGEHTZBLYDE-JTQLQIEISA-N 2 2 207.321 2.188 20 0 BEADLP CCC[C@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951263 584830783 /nfs/dbraw/zinc/83/07/83/584830783.db2.gz VHWCMQATZDGFDQ-NSHDSACASA-N 2 2 207.321 2.332 20 0 BEADLP C[C@@H](CCC1CC1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954797 584832070 /nfs/dbraw/zinc/83/20/70/584832070.db2.gz WDZGYZUPGADRAO-JTQLQIEISA-N 2 2 219.332 2.332 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000903964272 584833959 /nfs/dbraw/zinc/83/39/59/584833959.db2.gz HBRFVQRFTMWNKQ-IAQYHMDHSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000903964652 584833990 /nfs/dbraw/zinc/83/39/90/584833990.db2.gz NDKIVEMRJQXYDJ-IAQYHMDHSA-N 2 2 230.355 2.262 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000903964428 584834002 /nfs/dbraw/zinc/83/40/02/584834002.db2.gz QNYUJCOXIZWOAJ-PRHODGIISA-N 2 2 242.725 2.177 20 0 BEADLP CO[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309245 584862847 /nfs/dbraw/zinc/86/28/47/584862847.db2.gz FEXXYYZSOQXYQG-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP CO[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C1 ZINC000904309245 584862848 /nfs/dbraw/zinc/86/28/48/584862848.db2.gz FEXXYYZSOQXYQG-QWHCGFSZSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316830 584864008 /nfs/dbraw/zinc/86/40/08/584864008.db2.gz URZHCHJENXYXBV-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H]1C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CCCO1 ZINC000904316830 584864009 /nfs/dbraw/zinc/86/40/09/584864009.db2.gz URZHCHJENXYXBV-CHWSQXEVSA-N 2 2 242.407 2.251 20 0 BEADLP CCC([NH3+])(CC)C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904350685 584869267 /nfs/dbraw/zinc/86/92/67/584869267.db2.gz PAKHVJGGCMDKHP-LBPRGKRZSA-N 3 2 243.439 2.247 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904350889 584869287 /nfs/dbraw/zinc/86/92/87/584869287.db2.gz RXARTPBFROFUIA-STQMWFEESA-N 3 2 243.439 2.247 20 0 BEADLP COc1cc(NC[C@]2(C)CCC[NH2+]C2)ccc1[NH3+] ZINC000904354003 584870264 /nfs/dbraw/zinc/87/02/64/584870264.db2.gz TVCVIUFLKPIRPC-CQSZACIVSA-N 2 2 249.358 2.079 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904353610 584870510 /nfs/dbraw/zinc/87/05/10/584870510.db2.gz OODLWKJRQMCLTF-UHFFFAOYSA-N 2 2 246.276 2.462 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)on1 ZINC000904368675 584872661 /nfs/dbraw/zinc/87/26/61/584872661.db2.gz SVFUJMFMAHVIOE-NSHDSACASA-N 2 2 239.363 2.226 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000904375661 584875191 /nfs/dbraw/zinc/87/51/91/584875191.db2.gz DWTHNSKUOUNOFB-GARJFASQSA-N 2 2 246.345 2.337 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000904375661 584875192 /nfs/dbraw/zinc/87/51/92/584875192.db2.gz DWTHNSKUOUNOFB-GARJFASQSA-N 2 2 246.345 2.337 20 0 BEADLP Cc1cc([NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1N ZINC000904378663 584875999 /nfs/dbraw/zinc/87/59/99/584875999.db2.gz HAVOIRQPBVMBAT-AWEZNQCLSA-N 2 2 233.359 2.379 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000904378979 584876868 /nfs/dbraw/zinc/87/68/68/584876868.db2.gz OOVCWXATWSDWAP-UPJWGTAASA-N 2 2 224.392 2.482 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000904378979 584876869 /nfs/dbraw/zinc/87/68/69/584876869.db2.gz OOVCWXATWSDWAP-UPJWGTAASA-N 2 2 224.392 2.482 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000754130848 584913603 /nfs/dbraw/zinc/91/36/03/584913603.db2.gz SADXIEUJBBNYHZ-WCQYABFASA-N 2 2 242.326 2.013 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000764767452 584928596 /nfs/dbraw/zinc/92/85/96/584928596.db2.gz IRXDUAHSUOTXEP-YWPYICTPSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000764767452 584928597 /nfs/dbraw/zinc/92/85/97/584928597.db2.gz IRXDUAHSUOTXEP-YWPYICTPSA-N 2 2 248.370 2.283 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccnc1Cl ZINC000133598652 584942817 /nfs/dbraw/zinc/94/28/17/584942817.db2.gz VEYWXCLSOXFNTI-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccnc1Cl ZINC000133598652 584942818 /nfs/dbraw/zinc/94/28/18/584942818.db2.gz VEYWXCLSOXFNTI-KOLCDFICSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098243 585028690 /nfs/dbraw/zinc/02/86/90/585028690.db2.gz JYSHMLZERCRRKE-MQYQWHSLSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000824098243 585028691 /nfs/dbraw/zinc/02/86/91/585028691.db2.gz JYSHMLZERCRRKE-MQYQWHSLSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000738430791 585045952 /nfs/dbraw/zinc/04/59/52/585045952.db2.gz QDWUCTVGESRFMK-CQSZACIVSA-N 2 2 249.402 2.328 20 0 BEADLP CC(C)CCn1cccc1C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000738430791 585045953 /nfs/dbraw/zinc/04/59/53/585045953.db2.gz QDWUCTVGESRFMK-CQSZACIVSA-N 2 2 249.402 2.328 20 0 BEADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000747530976 585180208 /nfs/dbraw/zinc/18/02/08/585180208.db2.gz ASXONKRLFQMDAK-ZABGRMTBSA-N 2 2 242.794 2.403 20 0 BEADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC000747530976 585180209 /nfs/dbraw/zinc/18/02/09/585180209.db2.gz ASXONKRLFQMDAK-ZABGRMTBSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC000747530976 585180210 /nfs/dbraw/zinc/18/02/10/585180210.db2.gz ASXONKRLFQMDAK-ZABGRMTBSA-N 2 2 242.794 2.403 20 0 BEADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC000747530976 585180211 /nfs/dbraw/zinc/18/02/11/585180211.db2.gz ASXONKRLFQMDAK-ZABGRMTBSA-N 2 2 242.794 2.403 20 0 BEADLP Cc1[nH+]cn(Cc2cc[nH+]c(N(C)C)c2)c1C ZINC000754044790 585276146 /nfs/dbraw/zinc/27/61/46/585276146.db2.gz ZLTYPLRNBNQTCJ-UHFFFAOYSA-N 2 2 230.315 2.009 20 0 BEADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000759343107 585369519 /nfs/dbraw/zinc/36/95/19/585369519.db2.gz QFZDQQRDETTWSJ-AWEZNQCLSA-N 2 2 242.382 2.400 20 0 BEADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000759343107 585369520 /nfs/dbraw/zinc/36/95/20/585369520.db2.gz QFZDQQRDETTWSJ-AWEZNQCLSA-N 2 2 242.382 2.400 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000759968263 585383489 /nfs/dbraw/zinc/38/34/89/585383489.db2.gz WWXUVQZAZLVRFB-MEQVVJDKSA-N 2 2 216.756 2.155 20 0 BEADLP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000759968263 585383490 /nfs/dbraw/zinc/38/34/90/585383490.db2.gz WWXUVQZAZLVRFB-MEQVVJDKSA-N 2 2 216.756 2.155 20 0 BEADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000761088501 585407685 /nfs/dbraw/zinc/40/76/85/585407685.db2.gz GOPXYRWQQQNSNA-DZGCQCFKSA-N 2 2 239.322 2.467 20 0 BEADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4C[C@H]43)cc2)c[nH+]1 ZINC000761088501 585407686 /nfs/dbraw/zinc/40/76/86/585407686.db2.gz GOPXYRWQQQNSNA-DZGCQCFKSA-N 2 2 239.322 2.467 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000764589687 585468568 /nfs/dbraw/zinc/46/85/68/585468568.db2.gz IWCVQGKGTYNFFM-OAHLLOKOSA-N 2 2 241.338 2.469 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000765765896 585492581 /nfs/dbraw/zinc/49/25/81/585492581.db2.gz ANKINZOJOSBLFN-VNHYZAJKSA-N 2 2 232.371 2.472 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000765765896 585492582 /nfs/dbraw/zinc/49/25/82/585492582.db2.gz ANKINZOJOSBLFN-VNHYZAJKSA-N 2 2 232.371 2.472 20 0 BEADLP COC[C@H](CC(C)C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766270387 585499741 /nfs/dbraw/zinc/49/97/41/585499741.db2.gz BEJVOHMULZODCA-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COC[C@H](CC(C)C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766270387 585499742 /nfs/dbraw/zinc/49/97/42/585499742.db2.gz BEJVOHMULZODCA-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000766247019 585500030 /nfs/dbraw/zinc/50/00/30/585500030.db2.gz LOYLJQOAVRIZCV-JTQLQIEISA-N 2 2 247.264 2.076 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000766247019 585500031 /nfs/dbraw/zinc/50/00/31/585500031.db2.gz LOYLJQOAVRIZCV-JTQLQIEISA-N 2 2 247.264 2.076 20 0 BEADLP CC[NH+]1CCC([NH2+]Cc2cc(C)oc2C)CC1 ZINC000767337832 585516338 /nfs/dbraw/zinc/51/63/38/585516338.db2.gz BVDRTNMZYJISLE-UHFFFAOYSA-N 2 2 236.359 2.470 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ccoc2)CC1 ZINC000768232458 585534492 /nfs/dbraw/zinc/53/44/92/585534492.db2.gz AKCONVSJTGRJJC-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ccoc2)CC1 ZINC000768232458 585534493 /nfs/dbraw/zinc/53/44/93/585534493.db2.gz AKCONVSJTGRJJC-UHFFFAOYSA-N 2 2 222.332 2.196 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccccc1N(C)C ZINC000769689627 585561875 /nfs/dbraw/zinc/56/18/75/585561875.db2.gz SKVRQEKLEYUSOL-CHWSQXEVSA-N 2 2 247.386 2.107 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccccc1N(C)C ZINC000769689627 585561876 /nfs/dbraw/zinc/56/18/76/585561876.db2.gz SKVRQEKLEYUSOL-CHWSQXEVSA-N 2 2 247.386 2.107 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000775956675 585688142 /nfs/dbraw/zinc/68/81/42/585688142.db2.gz ZJVXUJNYQLIGDG-HIFRSBDPSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000775956675 585688143 /nfs/dbraw/zinc/68/81/43/585688143.db2.gz ZJVXUJNYQLIGDG-HIFRSBDPSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@@H](C1CC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000777841425 585721231 /nfs/dbraw/zinc/72/12/31/585721231.db2.gz MJNAQGXRSIYUMK-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP C[C@@H](C1CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000777841425 585721232 /nfs/dbraw/zinc/72/12/32/585721232.db2.gz MJNAQGXRSIYUMK-JSGCOSHPSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C)o1 ZINC000778188746 585726937 /nfs/dbraw/zinc/72/69/37/585726937.db2.gz INRPPHOUFUSBQD-CYBMUJFWSA-N 2 2 245.326 2.198 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000783209107 585831007 /nfs/dbraw/zinc/83/10/07/585831007.db2.gz AYPRHWJFCNIYPQ-YPMHNXCESA-N 2 2 242.326 2.155 20 0 BEADLP CCC1(CC)[C@H]([NH2+]Cc2c[nH+]c[nH]2)C[C@@H]1OC ZINC000796456255 586104201 /nfs/dbraw/zinc/10/42/01/586104201.db2.gz LRUXYOQEYONCQH-NEPJUHHUSA-N 2 2 237.347 2.093 20 0 BEADLP C[NH+]1CCC(CNc2cc3cc[nH]c3c[nH+]2)CC1 ZINC000804403972 586395583 /nfs/dbraw/zinc/39/55/83/586395583.db2.gz CHMDNUKPAVAPBA-UHFFFAOYSA-N 2 2 244.342 2.317 20 0 BEADLP CC(C)C(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000808718725 586484514 /nfs/dbraw/zinc/48/45/14/586484514.db2.gz AWZNULCVIACGBX-ZDUSSCGKSA-N 2 2 249.358 2.135 20 0 BEADLP CC(C)C(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000808718725 586484516 /nfs/dbraw/zinc/48/45/16/586484516.db2.gz AWZNULCVIACGBX-ZDUSSCGKSA-N 2 2 249.358 2.135 20 0 BEADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000809730062 586515557 /nfs/dbraw/zinc/51/55/57/586515557.db2.gz YPPIZKUNZQUXCY-UHFFFAOYSA-N 2 2 224.348 2.280 20 0 BEADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000809730062 586515558 /nfs/dbraw/zinc/51/55/58/586515558.db2.gz YPPIZKUNZQUXCY-UHFFFAOYSA-N 2 2 224.348 2.280 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000809756778 586517856 /nfs/dbraw/zinc/51/78/56/586517856.db2.gz JJKMBTLCSXHOGC-LBPRGKRZSA-N 2 2 231.299 2.003 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccoc2)C1 ZINC000809756778 586517859 /nfs/dbraw/zinc/51/78/59/586517859.db2.gz JJKMBTLCSXHOGC-LBPRGKRZSA-N 2 2 231.299 2.003 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817897311 586835261 /nfs/dbraw/zinc/83/52/61/586835261.db2.gz JXJXRJUVZYGWBN-RISCZKNCSA-N 2 2 236.334 2.364 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccnc(Cl)c1 ZINC000817941249 586845222 /nfs/dbraw/zinc/84/52/22/586845222.db2.gz OQFAQPCDLYPNDJ-KOLCDFICSA-N 2 2 239.750 2.138 20 0 BEADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000817940533 586845517 /nfs/dbraw/zinc/84/55/17/586845517.db2.gz IQBNKIOUBUEHFQ-DZGCQCFKSA-N 2 2 230.355 2.324 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000817945105 586846261 /nfs/dbraw/zinc/84/62/61/586846261.db2.gz UKMPERXWKPWBNK-UONOGXRCSA-N 2 2 246.354 2.024 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCO2 ZINC000817951912 586848305 /nfs/dbraw/zinc/84/83/05/586848305.db2.gz KZJDIHGPUDTWQG-SMDDNHRTSA-N 2 2 246.354 2.024 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000817952880 586849106 /nfs/dbraw/zinc/84/91/06/586849106.db2.gz WETFEVGTBKBYPU-JTQLQIEISA-N 2 2 218.410 2.106 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817958201 586850757 /nfs/dbraw/zinc/85/07/57/586850757.db2.gz IPDXIKAVMVUCDZ-GXSJLCMTSA-N 2 2 241.766 2.369 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817961605 586853398 /nfs/dbraw/zinc/85/33/98/586853398.db2.gz ANFAUNQGAHXCKK-LBPRGKRZSA-N 2 2 248.370 2.272 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccnc(Cl)c1 ZINC000817965442 586854296 /nfs/dbraw/zinc/85/42/96/586854296.db2.gz QLRXLJHNVIKHFS-KCJUWKMLSA-N 2 2 239.750 2.123 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817974130 586860458 /nfs/dbraw/zinc/86/04/58/586860458.db2.gz ZDYHCZMMOWQCFP-VXGBXAGGSA-N 2 2 248.370 2.270 20 0 BEADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817976496 586860469 /nfs/dbraw/zinc/86/04/69/586860469.db2.gz MBCFTVROQUTBTJ-YDHLFZDLSA-N 2 2 248.345 2.272 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)[C@H](C)[NH3+] ZINC000817977777 586861632 /nfs/dbraw/zinc/86/16/32/586861632.db2.gz ONAGTMWMRPDVGW-YIZRAAEISA-N 2 2 227.739 2.121 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000826868678 587364501 /nfs/dbraw/zinc/36/45/01/587364501.db2.gz VRMSLTSMWBQJLX-YVNMAJEFSA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000826868678 587364502 /nfs/dbraw/zinc/36/45/02/587364502.db2.gz VRMSLTSMWBQJLX-YVNMAJEFSA-N 2 2 246.345 2.493 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000827006350 587367718 /nfs/dbraw/zinc/36/77/18/587367718.db2.gz OYACIHTZYCIRGL-SHTZXODSSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000834566695 587759536 /nfs/dbraw/zinc/75/95/36/587759536.db2.gz QHAQKAHDUCKMMJ-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000834566695 587759537 /nfs/dbraw/zinc/75/95/37/587759537.db2.gz QHAQKAHDUCKMMJ-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+](CCc1ccccn1)C[C@H]([NH3+])CC(C)C ZINC000841007156 587934961 /nfs/dbraw/zinc/93/49/61/587934961.db2.gz BYBXSARMAHFCSN-CQSZACIVSA-N 2 2 249.402 2.319 20 0 BEADLP CC[N@@H+](CCc1ccccn1)C[C@H]([NH3+])CC(C)C ZINC000841007156 587934962 /nfs/dbraw/zinc/93/49/62/587934962.db2.gz BYBXSARMAHFCSN-CQSZACIVSA-N 2 2 249.402 2.319 20 0 BEADLP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000841035161 587937252 /nfs/dbraw/zinc/93/72/52/587937252.db2.gz INORUIMQMGUYND-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP c1ccc2c(c1)cncc2C[NH2+][C@H]1CCC[NH2+]C1 ZINC000841043496 587939091 /nfs/dbraw/zinc/93/90/91/587939091.db2.gz RSFJVNQKPZEMDM-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP COc1cccc2cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])oc21 ZINC000841077031 587943819 /nfs/dbraw/zinc/94/38/19/587943819.db2.gz XAYVSBISMSGSSA-NXEZZACHSA-N 2 2 248.326 2.267 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000843046909 588075876 /nfs/dbraw/zinc/07/58/76/588075876.db2.gz DNPUGYPYVDDDOW-OAHLLOKOSA-N 2 2 246.354 2.030 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000843046909 588075878 /nfs/dbraw/zinc/07/58/78/588075878.db2.gz DNPUGYPYVDDDOW-OAHLLOKOSA-N 2 2 246.354 2.030 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000843046908 588076037 /nfs/dbraw/zinc/07/60/37/588076037.db2.gz DNPUGYPYVDDDOW-HNNXBMFYSA-N 2 2 246.354 2.030 20 0 BEADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000843046908 588076039 /nfs/dbraw/zinc/07/60/39/588076039.db2.gz DNPUGYPYVDDDOW-HNNXBMFYSA-N 2 2 246.354 2.030 20 0 BEADLP Cc1cc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)no1 ZINC000843060097 588077496 /nfs/dbraw/zinc/07/74/96/588077496.db2.gz CMBHLDWVBROCCU-KBPBESRZSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)no1 ZINC000843060097 588077497 /nfs/dbraw/zinc/07/74/97/588077497.db2.gz CMBHLDWVBROCCU-KBPBESRZSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)no1 ZINC000843060055 588078044 /nfs/dbraw/zinc/07/80/44/588078044.db2.gz AYEXIBNYRJCFMR-GXTWGEPZSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)no1 ZINC000843060055 588078046 /nfs/dbraw/zinc/07/80/46/588078046.db2.gz AYEXIBNYRJCFMR-GXTWGEPZSA-N 2 2 249.358 2.120 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000844328926 588184804 /nfs/dbraw/zinc/18/48/04/588184804.db2.gz YSQQLXDQVRVWQE-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000844328926 588184806 /nfs/dbraw/zinc/18/48/06/588184806.db2.gz YSQQLXDQVRVWQE-XQHKEYJVSA-N 2 2 210.365 2.105 20 0 BEADLP FC1(F)[C@H]2C[N@H+](Cc3cccc4[nH+]ccn43)C[C@H]21 ZINC000846109503 588257122 /nfs/dbraw/zinc/25/71/22/588257122.db2.gz CZKLAOLNJXGFHP-PHIMTYICSA-N 2 2 249.264 2.031 20 0 BEADLP FC1(F)[C@H]2C[N@@H+](Cc3cccc4[nH+]ccn43)C[C@H]21 ZINC000846109503 588257123 /nfs/dbraw/zinc/25/71/23/588257123.db2.gz CZKLAOLNJXGFHP-PHIMTYICSA-N 2 2 249.264 2.031 20 0 BEADLP C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000848568430 588398204 /nfs/dbraw/zinc/39/82/04/588398204.db2.gz IGBMQUBXCOPNJJ-CHWSQXEVSA-N 2 2 208.349 2.145 20 0 BEADLP C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000848568430 588398207 /nfs/dbraw/zinc/39/82/07/588398207.db2.gz IGBMQUBXCOPNJJ-CHWSQXEVSA-N 2 2 208.349 2.145 20 0 BEADLP C[NH2+]CC[N@H+](C)CCCc1c(F)cccc1F ZINC000848599731 588401317 /nfs/dbraw/zinc/40/13/17/588401317.db2.gz PKGYWHZJKZUQQS-UHFFFAOYSA-N 2 2 242.313 2.049 20 0 BEADLP C[NH2+]CC[N@@H+](C)CCCc1c(F)cccc1F ZINC000848599731 588401318 /nfs/dbraw/zinc/40/13/18/588401318.db2.gz PKGYWHZJKZUQQS-UHFFFAOYSA-N 2 2 242.313 2.049 20 0 BEADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C=CCC3)n2c1 ZINC000850359176 588540149 /nfs/dbraw/zinc/54/01/49/588540149.db2.gz ZOIQADKNDUAWBJ-LBPRGKRZSA-N 2 2 227.311 2.451 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000850556144 588559814 /nfs/dbraw/zinc/55/98/14/588559814.db2.gz QYVCWWSWJAWRQA-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000850556144 588559815 /nfs/dbraw/zinc/55/98/15/588559815.db2.gz QYVCWWSWJAWRQA-MJBXVCDLSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000850556923 588560279 /nfs/dbraw/zinc/56/02/79/588560279.db2.gz UKLGOCKWOPTTSK-BFHYXJOUSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000850556923 588560281 /nfs/dbraw/zinc/56/02/81/588560281.db2.gz UKLGOCKWOPTTSK-BFHYXJOUSA-N 2 2 222.376 2.249 20 0 BEADLP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845811 588634535 /nfs/dbraw/zinc/63/45/35/588634535.db2.gz NSELVNPBCHTENR-FRRDWIJNSA-N 2 2 249.358 2.157 20 0 BEADLP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845811 588634536 /nfs/dbraw/zinc/63/45/36/588634536.db2.gz NSELVNPBCHTENR-FRRDWIJNSA-N 2 2 249.358 2.157 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC=C(Cl)Cl ZINC000852750210 588699836 /nfs/dbraw/zinc/69/98/36/588699836.db2.gz NYVZNNKHBHXCEJ-KHQFGBGNSA-N 2 2 237.174 2.282 20 0 BEADLP COCC1([NH2+]CC[NH+]2CCCC2)CCCCC1 ZINC000852771543 588701250 /nfs/dbraw/zinc/70/12/50/588701250.db2.gz RSFCGWFXGDZYIQ-UHFFFAOYSA-N 2 2 240.391 2.021 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000862295366 589200592 /nfs/dbraw/zinc/20/05/92/589200592.db2.gz DJBYFOWSGPGTQV-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@]1(C)CCCS1 ZINC000862295366 589200593 /nfs/dbraw/zinc/20/05/93/589200593.db2.gz DJBYFOWSGPGTQV-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP C/C=C\C[NH2+]CCCc1c[nH+]ccc1C ZINC000862529961 589218279 /nfs/dbraw/zinc/21/82/79/589218279.db2.gz IEJAFCTVLKWMSH-ARJAWSKDSA-N 2 2 204.317 2.488 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCCC1(C)C ZINC000863567792 589295517 /nfs/dbraw/zinc/29/55/17/589295517.db2.gz GWFIWHGPBBFLRB-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCCC1(C)C ZINC000863567792 589295518 /nfs/dbraw/zinc/29/55/18/589295518.db2.gz GWFIWHGPBBFLRB-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863545872 589297910 /nfs/dbraw/zinc/29/79/10/589297910.db2.gz AGOICZJLMZKMAQ-TYNCELHUSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2c(c1)CCO2 ZINC000863547689 589298337 /nfs/dbraw/zinc/29/83/37/589298337.db2.gz VOVOMOPKIBMOCB-COPLHBTASA-N 2 2 246.354 2.023 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000863569648 589300589 /nfs/dbraw/zinc/30/05/89/589300589.db2.gz ZCQJDDBDUGZHRF-HZMBPMFUSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000863569648 589300591 /nfs/dbraw/zinc/30/05/91/589300591.db2.gz ZCQJDDBDUGZHRF-HZMBPMFUSA-N 2 2 236.334 2.482 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc2cnccc2c1 ZINC000863651219 589307088 /nfs/dbraw/zinc/30/70/88/589307088.db2.gz DSGLUSFOXTXKSL-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000863651219 589307090 /nfs/dbraw/zinc/30/70/90/589307090.db2.gz DSGLUSFOXTXKSL-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)Cc1nccc2ccccc21 ZINC000863652089 589307643 /nfs/dbraw/zinc/30/76/43/589307643.db2.gz QFWAFYJURWTLAJ-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1nccc2ccccc21 ZINC000863652089 589307644 /nfs/dbraw/zinc/30/76/44/589307644.db2.gz QFWAFYJURWTLAJ-LLVKDONJSA-N 2 2 229.327 2.014 20 0 BEADLP c1[nH]c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c[nH+]1 ZINC000864050095 589335027 /nfs/dbraw/zinc/33/50/27/589335027.db2.gz UTGDWFDEHGMGGH-CYBMUJFWSA-N 2 2 249.358 2.239 20 0 BEADLP C[C@@]1(CC[NH2+]Cc2c[nH+]c[nH]2)C[C@@]1(F)Cl ZINC000864050189 589335512 /nfs/dbraw/zinc/33/55/12/589335512.db2.gz XXRJRVCVVYQJJM-ZJUUUORDSA-N 2 2 231.702 2.204 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000864097501 589344634 /nfs/dbraw/zinc/34/46/34/589344634.db2.gz XNPYDDSCDPODOB-OCCSQVGLSA-N 2 2 248.370 2.186 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000864097501 589344635 /nfs/dbraw/zinc/34/46/35/589344635.db2.gz XNPYDDSCDPODOB-OCCSQVGLSA-N 2 2 248.370 2.186 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000864097502 589344712 /nfs/dbraw/zinc/34/47/12/589344712.db2.gz XNPYDDSCDPODOB-TZMCWYRMSA-N 2 2 248.370 2.186 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000864097502 589344714 /nfs/dbraw/zinc/34/47/14/589344714.db2.gz XNPYDDSCDPODOB-TZMCWYRMSA-N 2 2 248.370 2.186 20 0 BEADLP Cc1cn(Cc2cc[nH+]c(N(C)C)c2)c(C)[nH+]1 ZINC000865361777 589426279 /nfs/dbraw/zinc/42/62/79/589426279.db2.gz ZVDMBBHBLOKWBF-UHFFFAOYSA-N 2 2 230.315 2.009 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(C)o1 ZINC000120977961 589483121 /nfs/dbraw/zinc/48/31/21/589483121.db2.gz XOKGQSZNIOOLCG-YGRLFVJLSA-N 2 2 236.359 2.469 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)o1 ZINC000120977961 589483122 /nfs/dbraw/zinc/48/31/22/589483122.db2.gz XOKGQSZNIOOLCG-YGRLFVJLSA-N 2 2 236.359 2.469 20 0 BEADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000866666960 589509478 /nfs/dbraw/zinc/50/94/78/589509478.db2.gz YANTVIBTBRJFGB-GFCCVEGCSA-N 2 2 249.358 2.030 20 0 BEADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(C2CC2)n1 ZINC000866664915 589509690 /nfs/dbraw/zinc/50/96/90/589509690.db2.gz PVDGZAUKQQQCMQ-ZDUSSCGKSA-N 2 2 249.358 2.255 20 0 BEADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(C2CC2)n1 ZINC000866664915 589509692 /nfs/dbraw/zinc/50/96/92/589509692.db2.gz PVDGZAUKQQQCMQ-ZDUSSCGKSA-N 2 2 249.358 2.255 20 0 BEADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000866666962 589509737 /nfs/dbraw/zinc/50/97/37/589509737.db2.gz YANTVIBTBRJFGB-LBPRGKRZSA-N 2 2 249.358 2.030 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CCCOC1 ZINC000872016328 589856031 /nfs/dbraw/zinc/85/60/31/589856031.db2.gz IKAIZSXSSSGORO-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(O)ccc1F ZINC000872018231 589856599 /nfs/dbraw/zinc/85/65/99/589856599.db2.gz KBNUNVXNSULTJU-JTQLQIEISA-N 2 2 249.289 2.079 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]cc1C1CC1 ZINC000872408571 589936325 /nfs/dbraw/zinc/93/63/25/589936325.db2.gz ASZIJZNMORTNDP-LLVKDONJSA-N 2 2 242.326 2.078 20 0 BEADLP Cc1cccc2c1CC[N@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000873204492 589994464 /nfs/dbraw/zinc/99/44/64/589994464.db2.gz DNUUXNUODPAHNL-UHFFFAOYSA-N 2 2 242.366 2.105 20 0 BEADLP Cc1cccc2c1CC[N@@H+](CC13CC(C1)C[NH2+]3)C2 ZINC000873204492 589994465 /nfs/dbraw/zinc/99/44/65/589994465.db2.gz DNUUXNUODPAHNL-UHFFFAOYSA-N 2 2 242.366 2.105 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1F ZINC000873215878 589998245 /nfs/dbraw/zinc/99/82/45/589998245.db2.gz GDEKEOMXPHYMJK-WDEREUQCSA-N 2 2 216.344 2.245 20 0 BEADLP [NH3+]CCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000873220878 589999506 /nfs/dbraw/zinc/99/95/06/589999506.db2.gz ZJOTYWLXSMGLEQ-CQSZACIVSA-N 2 2 236.334 2.296 20 0 BEADLP [NH3+]CCC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000873220878 589999508 /nfs/dbraw/zinc/99/95/08/589999508.db2.gz ZJOTYWLXSMGLEQ-CQSZACIVSA-N 2 2 236.334 2.296 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221958 589999817 /nfs/dbraw/zinc/99/98/17/589999817.db2.gz VCWKGORQTZUNDY-AGIUHOORSA-N 2 2 242.432 2.045 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000873221958 589999818 /nfs/dbraw/zinc/99/98/18/589999818.db2.gz VCWKGORQTZUNDY-AGIUHOORSA-N 2 2 242.432 2.045 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000873221959 589999872 /nfs/dbraw/zinc/99/98/72/589999872.db2.gz VCWKGORQTZUNDY-AVGNSLFASA-N 2 2 242.432 2.045 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000873221959 589999874 /nfs/dbraw/zinc/99/98/74/589999874.db2.gz VCWKGORQTZUNDY-AVGNSLFASA-N 2 2 242.432 2.045 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000873221961 590000013 /nfs/dbraw/zinc/00/00/13/590000013.db2.gz VCWKGORQTZUNDY-XQQFMLRXSA-N 2 2 242.432 2.045 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000873221961 590000016 /nfs/dbraw/zinc/00/00/16/590000016.db2.gz VCWKGORQTZUNDY-XQQFMLRXSA-N 2 2 242.432 2.045 20 0 BEADLP Fc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873229287 590000754 /nfs/dbraw/zinc/00/07/54/590000754.db2.gz RRNALBYJCSCFQO-KGLIPLIRSA-N 2 2 234.318 2.200 20 0 BEADLP Fc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873229288 590001029 /nfs/dbraw/zinc/00/10/29/590001029.db2.gz RRNALBYJCSCFQO-UONOGXRCSA-N 2 2 234.318 2.200 20 0 BEADLP COc1ccccc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230393 590001502 /nfs/dbraw/zinc/00/15/02/590001502.db2.gz QSBOKPUFQGSUFF-GJZGRUSLSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccccc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229390 590001703 /nfs/dbraw/zinc/00/17/03/590001703.db2.gz WANBITOFAPFHOQ-LSDHHAIUSA-N 2 2 230.355 2.369 20 0 BEADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000873294232 590023669 /nfs/dbraw/zinc/02/36/69/590023669.db2.gz QRVASNFMEFFTRZ-DAXOMENPSA-N 2 2 244.382 2.479 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000020091919 590073318 /nfs/dbraw/zinc/07/33/18/590073318.db2.gz ZDCNYWKDPCKHTA-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000020091919 590073320 /nfs/dbraw/zinc/07/33/20/590073320.db2.gz ZDCNYWKDPCKHTA-UONOGXRCSA-N 2 2 222.376 2.417 20 0 BEADLP Cc1cc(C)cc(CC[NH2+]C[C@@H](C)[NH+](C)C)c1 ZINC000877149641 590292765 /nfs/dbraw/zinc/29/27/65/590292765.db2.gz FGVTXYUMJVMFEJ-CQSZACIVSA-N 2 2 234.387 2.386 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)OC ZINC000877152960 590292992 /nfs/dbraw/zinc/29/29/92/590292992.db2.gz DFIOKEHWIMAXLY-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)OC ZINC000877152960 590292993 /nfs/dbraw/zinc/29/29/93/590292993.db2.gz DFIOKEHWIMAXLY-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000126397218 590298025 /nfs/dbraw/zinc/29/80/25/590298025.db2.gz PESWKGQJZWDBMF-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC000126397218 590298026 /nfs/dbraw/zinc/29/80/26/590298026.db2.gz PESWKGQJZWDBMF-LBPRGKRZSA-N 2 2 206.333 2.082 20 0 BEADLP ClC1(Cl)C[C@@H]1C[NH2+]CC[N@H+]1CC=CCC1 ZINC000877490703 590340529 /nfs/dbraw/zinc/34/05/29/590340529.db2.gz DLDVBVNCICFFKP-SNVBAGLBSA-N 2 2 249.185 2.032 20 0 BEADLP ClC1(Cl)C[C@@H]1C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000877490703 590340530 /nfs/dbraw/zinc/34/05/30/590340530.db2.gz DLDVBVNCICFFKP-SNVBAGLBSA-N 2 2 249.185 2.032 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c(C)o1 ZINC000877744420 590410654 /nfs/dbraw/zinc/41/06/54/590410654.db2.gz SSIZDARIOFRBIY-DZGCQCFKSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(C)o1 ZINC000877744420 590410655 /nfs/dbraw/zinc/41/06/55/590410655.db2.gz SSIZDARIOFRBIY-DZGCQCFKSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744420 590410656 /nfs/dbraw/zinc/41/06/56/590410656.db2.gz SSIZDARIOFRBIY-DZGCQCFKSA-N 2 2 248.370 2.422 20 0 BEADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c(C)o1 ZINC000877744420 590410657 /nfs/dbraw/zinc/41/06/57/590410657.db2.gz SSIZDARIOFRBIY-DZGCQCFKSA-N 2 2 248.370 2.422 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC2CC2)C1 ZINC000878302013 590538792 /nfs/dbraw/zinc/53/87/92/590538792.db2.gz GLPDWNIWWJQVCJ-ZDUSSCGKSA-N 2 2 233.359 2.400 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000878302013 590538794 /nfs/dbraw/zinc/53/87/94/590538794.db2.gz GLPDWNIWWJQVCJ-ZDUSSCGKSA-N 2 2 233.359 2.400 20 0 BEADLP C=C/C=C\CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000878319345 590544309 /nfs/dbraw/zinc/54/43/09/590544309.db2.gz PIHBPUFVVRBRHN-PLNGDYQASA-N 2 2 219.332 2.337 20 0 BEADLP C=C/C=C\CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878319345 590544310 /nfs/dbraw/zinc/54/43/10/590544310.db2.gz PIHBPUFVVRBRHN-PLNGDYQASA-N 2 2 219.332 2.337 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1ccccc1 ZINC000880130990 590931282 /nfs/dbraw/zinc/93/12/82/590931282.db2.gz IYVQSGTZNNJJEN-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1ccccc1 ZINC000880130990 590931283 /nfs/dbraw/zinc/93/12/83/590931283.db2.gz IYVQSGTZNNJJEN-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1ccccc1 ZINC000880130990 590931287 /nfs/dbraw/zinc/93/12/87/590931287.db2.gz IYVQSGTZNNJJEN-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccccc1 ZINC000880130990 590931288 /nfs/dbraw/zinc/93/12/88/590931288.db2.gz IYVQSGTZNNJJEN-JKSUJKDBSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC000880130513 590932478 /nfs/dbraw/zinc/93/24/78/590932478.db2.gz GPSDZYJMOCJWNH-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCC1 ZINC000880130513 590932481 /nfs/dbraw/zinc/93/24/81/590932481.db2.gz GPSDZYJMOCJWNH-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC000880130513 590932482 /nfs/dbraw/zinc/93/24/82/590932482.db2.gz GPSDZYJMOCJWNH-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1 ZINC000880130513 590932484 /nfs/dbraw/zinc/93/24/84/590932484.db2.gz GPSDZYJMOCJWNH-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131691 590935241 /nfs/dbraw/zinc/93/52/41/590935241.db2.gz LOEYSOMBIXCIEV-CHWSQXEVSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131691 590935243 /nfs/dbraw/zinc/93/52/43/590935243.db2.gz LOEYSOMBIXCIEV-CHWSQXEVSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880131691 590935244 /nfs/dbraw/zinc/93/52/44/590935244.db2.gz LOEYSOMBIXCIEV-CHWSQXEVSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880131691 590935246 /nfs/dbraw/zinc/93/52/46/590935246.db2.gz LOEYSOMBIXCIEV-CHWSQXEVSA-N 2 2 210.365 2.201 20 0 BEADLP CCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133509 590935627 /nfs/dbraw/zinc/93/56/27/590935627.db2.gz PBWUYDVHIAPGBG-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133509 590935629 /nfs/dbraw/zinc/93/56/29/590935629.db2.gz PBWUYDVHIAPGBG-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133509 590935631 /nfs/dbraw/zinc/93/56/31/590935631.db2.gz PBWUYDVHIAPGBG-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP CCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880133509 590935633 /nfs/dbraw/zinc/93/56/33/590935633.db2.gz PBWUYDVHIAPGBG-STQMWFEESA-N 2 2 210.365 2.345 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)nc1 ZINC000880138549 590939244 /nfs/dbraw/zinc/93/92/44/590939244.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)nc1 ZINC000880138549 590939248 /nfs/dbraw/zinc/93/92/48/590939248.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)nc1 ZINC000880138549 590939249 /nfs/dbraw/zinc/93/92/49/590939249.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)nc1 ZINC000880138549 590939253 /nfs/dbraw/zinc/93/92/53/590939253.db2.gz YJCCXXNXWBVLRS-HUUCEWRRSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccsc1 ZINC000880142363 590941504 /nfs/dbraw/zinc/94/15/04/590941504.db2.gz NJBMCNMPKUCFKX-QWHCGFSZSA-N 2 2 236.384 2.417 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccsc1 ZINC000880142363 590941509 /nfs/dbraw/zinc/94/15/09/590941509.db2.gz NJBMCNMPKUCFKX-QWHCGFSZSA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccsc1 ZINC000880142363 590941513 /nfs/dbraw/zinc/94/15/13/590941513.db2.gz NJBMCNMPKUCFKX-QWHCGFSZSA-N 2 2 236.384 2.417 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccsc1 ZINC000880142363 590941515 /nfs/dbraw/zinc/94/15/15/590941515.db2.gz NJBMCNMPKUCFKX-QWHCGFSZSA-N 2 2 236.384 2.417 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC=CC1 ZINC000880142742 590942009 /nfs/dbraw/zinc/94/20/09/590942009.db2.gz UAFKDBGJVIWKHD-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC=CC1 ZINC000880142742 590942012 /nfs/dbraw/zinc/94/20/12/590942012.db2.gz UAFKDBGJVIWKHD-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC=CC1 ZINC000880142742 590942015 /nfs/dbraw/zinc/94/20/15/590942015.db2.gz UAFKDBGJVIWKHD-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC=CC1 ZINC000880142742 590942019 /nfs/dbraw/zinc/94/20/19/590942019.db2.gz UAFKDBGJVIWKHD-UONOGXRCSA-N 2 2 220.360 2.121 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cn1 ZINC000880142772 590943171 /nfs/dbraw/zinc/94/31/71/590943171.db2.gz UHXCPAJRWRCHQT-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cn1 ZINC000880142772 590943174 /nfs/dbraw/zinc/94/31/74/590943174.db2.gz UHXCPAJRWRCHQT-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cn1 ZINC000880142772 590943175 /nfs/dbraw/zinc/94/31/75/590943175.db2.gz UHXCPAJRWRCHQT-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cn1 ZINC000880142772 590943177 /nfs/dbraw/zinc/94/31/77/590943177.db2.gz UHXCPAJRWRCHQT-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CC1 ZINC000880141547 590943336 /nfs/dbraw/zinc/94/33/36/590943336.db2.gz QQGTYTNOXGFYRB-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CC1 ZINC000880141547 590943338 /nfs/dbraw/zinc/94/33/38/590943338.db2.gz QQGTYTNOXGFYRB-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CC1 ZINC000880141547 590943340 /nfs/dbraw/zinc/94/33/40/590943340.db2.gz QQGTYTNOXGFYRB-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CC1 ZINC000880141547 590943343 /nfs/dbraw/zinc/94/33/43/590943343.db2.gz QQGTYTNOXGFYRB-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000128900252 591176800 /nfs/dbraw/zinc/17/68/00/591176800.db2.gz NVTMKDWXXIZURB-HNNXBMFYSA-N 2 2 230.355 2.358 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000128900252 591176802 /nfs/dbraw/zinc/17/68/02/591176802.db2.gz NVTMKDWXXIZURB-HNNXBMFYSA-N 2 2 230.355 2.358 20 0 BEADLP CC[C@@H](C)[N@H+](C)CCNc1nc[nH+]c(C)c1C ZINC000881909438 591278210 /nfs/dbraw/zinc/27/82/10/591278210.db2.gz YPRURAQUGRMEKR-SNVBAGLBSA-N 2 2 236.363 2.236 20 0 BEADLP CC[C@@H](C)[N@@H+](C)CCNc1nc[nH+]c(C)c1C ZINC000881909438 591278211 /nfs/dbraw/zinc/27/82/11/591278211.db2.gz YPRURAQUGRMEKR-SNVBAGLBSA-N 2 2 236.363 2.236 20 0 BEADLP CCCC[N@H+](C)CCNc1nc[nH+]c(C)c1C ZINC000881976920 591284755 /nfs/dbraw/zinc/28/47/55/591284755.db2.gz OSVIHHURDZJTRG-UHFFFAOYSA-N 2 2 236.363 2.237 20 0 BEADLP CCCC[N@@H+](C)CCNc1nc[nH+]c(C)c1C ZINC000881976920 591284757 /nfs/dbraw/zinc/28/47/57/591284757.db2.gz OSVIHHURDZJTRG-UHFFFAOYSA-N 2 2 236.363 2.237 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000882056728 591293068 /nfs/dbraw/zinc/29/30/68/591293068.db2.gz DGPLTPXPAJIQHC-CHWSQXEVSA-N 2 2 248.374 2.378 20 0 BEADLP CC1([NH+]2CCC2)CCN(c2cccc[nH+]2)CC1 ZINC000882966302 591487494 /nfs/dbraw/zinc/48/74/94/591487494.db2.gz ZUDOZKJXJPHJQZ-UHFFFAOYSA-N 2 2 231.343 2.146 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246759 591588430 /nfs/dbraw/zinc/58/84/30/591588430.db2.gz PXDNDUIOXOAXFH-DYEKYZERSA-N 2 2 220.360 2.025 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000883246759 591588432 /nfs/dbraw/zinc/58/84/32/591588432.db2.gz PXDNDUIOXOAXFH-DYEKYZERSA-N 2 2 220.360 2.025 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000883267451 591600924 /nfs/dbraw/zinc/60/09/24/591600924.db2.gz FNZHTLYGMIPICY-YKEDUJKTSA-N 2 2 220.360 2.191 20 0 BEADLP C=C/C=C\CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000883267451 591600927 /nfs/dbraw/zinc/60/09/27/591600927.db2.gz FNZHTLYGMIPICY-YKEDUJKTSA-N 2 2 220.360 2.191 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883319204 591614096 /nfs/dbraw/zinc/61/40/96/591614096.db2.gz SQQRDXWUKYFSMD-YHQUGGNUSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883319204 591614098 /nfs/dbraw/zinc/61/40/98/591614098.db2.gz SQQRDXWUKYFSMD-YHQUGGNUSA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000883354819 591626599 /nfs/dbraw/zinc/62/65/99/591626599.db2.gz CSBOWVTUDUKVRI-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@H](C)CCC(F)(F)F ZINC000883354819 591626603 /nfs/dbraw/zinc/62/66/03/591626603.db2.gz CSBOWVTUDUKVRI-NXEZZACHSA-N 2 2 238.297 2.401 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883438714 591667292 /nfs/dbraw/zinc/66/72/92/591667292.db2.gz ZYHUSMUREUXGPC-CFVMTHIKSA-N 2 2 248.370 2.186 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000883438714 591667295 /nfs/dbraw/zinc/66/72/95/591667295.db2.gz ZYHUSMUREUXGPC-CFVMTHIKSA-N 2 2 248.370 2.186 20 0 BEADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1scnc1Cl ZINC000883441510 591668122 /nfs/dbraw/zinc/66/81/22/591668122.db2.gz QGNKSFJMUHEJJR-YUMQZZPRSA-N 2 2 245.779 2.012 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)n1 ZINC000133593107 591831062 /nfs/dbraw/zinc/83/10/62/591831062.db2.gz AQPGMTOTHHIPRU-VHSXEESVSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)n1 ZINC000133593107 591831064 /nfs/dbraw/zinc/83/10/64/591831064.db2.gz AQPGMTOTHHIPRU-VHSXEESVSA-N 2 2 239.750 2.047 20 0 BEADLP CCc1nc(NCC2([NH2+]C)CCCCC2)cc[nH+]1 ZINC000884577643 591985379 /nfs/dbraw/zinc/98/53/79/591985379.db2.gz JQXVRADUEKBMFR-UHFFFAOYSA-N 2 2 248.374 2.373 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCSC(C)(C)C1 ZINC000135214361 591997305 /nfs/dbraw/zinc/99/73/05/591997305.db2.gz IDRVVBSKQJPCRH-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCSC(C)(C)C1 ZINC000135214361 591997306 /nfs/dbraw/zinc/99/73/06/591997306.db2.gz IDRVVBSKQJPCRH-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccncc1 ZINC000075861536 592312722 /nfs/dbraw/zinc/31/27/22/592312722.db2.gz QKPKOOZXETWDJF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccncc1 ZINC000075861536 592312726 /nfs/dbraw/zinc/31/27/26/592312726.db2.gz QKPKOOZXETWDJF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccncc1 ZINC000075861536 592312730 /nfs/dbraw/zinc/31/27/30/592312730.db2.gz QKPKOOZXETWDJF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccncc1 ZINC000075861536 592312735 /nfs/dbraw/zinc/31/27/35/592312735.db2.gz QKPKOOZXETWDJF-HNNXBMFYSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccn1 ZINC000075860152 592313185 /nfs/dbraw/zinc/31/31/85/592313185.db2.gz GPZYGALZQOBNNF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccn1 ZINC000075860152 592313193 /nfs/dbraw/zinc/31/31/93/592313193.db2.gz GPZYGALZQOBNNF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccn1 ZINC000075860152 592313198 /nfs/dbraw/zinc/31/31/98/592313198.db2.gz GPZYGALZQOBNNF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccn1 ZINC000075860152 592313201 /nfs/dbraw/zinc/31/32/01/592313201.db2.gz GPZYGALZQOBNNF-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP [NH3+]CC[N@H+](CCCF)Cc1cccc(Cl)c1 ZINC000886863677 592374013 /nfs/dbraw/zinc/37/40/13/592374013.db2.gz OKYHVQBTXOKAOC-UHFFFAOYSA-N 2 2 244.741 2.460 20 0 BEADLP [NH3+]CC[N@@H+](CCCF)Cc1cccc(Cl)c1 ZINC000886863677 592374016 /nfs/dbraw/zinc/37/40/16/592374016.db2.gz OKYHVQBTXOKAOC-UHFFFAOYSA-N 2 2 244.741 2.460 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000223193942 592519856 /nfs/dbraw/zinc/51/98/56/592519856.db2.gz XQMXTAOGZQLCKV-SMDDNHRTSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000223193942 592519858 /nfs/dbraw/zinc/51/98/58/592519858.db2.gz XQMXTAOGZQLCKV-SMDDNHRTSA-N 2 2 236.334 2.050 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1C ZINC000925716206 634447121 /nfs/dbraw/zinc/44/71/21/634447121.db2.gz LVKCNQVCDHAJQC-JSGCOSHPSA-N 2 2 248.370 2.234 20 0 BEADLP COc1cccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1C ZINC000925716207 634447948 /nfs/dbraw/zinc/44/79/48/634447948.db2.gz LVKCNQVCDHAJQC-OCCSQVGLSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccsc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257692988 634468509 /nfs/dbraw/zinc/46/85/09/634468509.db2.gz OAIACBJGUZEKIG-ZDUSSCGKSA-N 2 2 236.384 2.384 20 0 BEADLP Cc1ccsc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257692988 634468514 /nfs/dbraw/zinc/46/85/14/634468514.db2.gz OAIACBJGUZEKIG-ZDUSSCGKSA-N 2 2 236.384 2.384 20 0 BEADLP c1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000257709986 634477658 /nfs/dbraw/zinc/47/76/58/634477658.db2.gz SOFGACQQXQSQOD-MRXNPFEDSA-N 2 2 244.382 2.447 20 0 BEADLP c1ccc(CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000257709986 634477663 /nfs/dbraw/zinc/47/76/63/634477663.db2.gz SOFGACQQXQSQOD-MRXNPFEDSA-N 2 2 244.382 2.447 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000054110858 635393367 /nfs/dbraw/zinc/39/33/67/635393367.db2.gz WHXVJKHYYUQOBQ-LBPRGKRZSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)C[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000054110858 635393376 /nfs/dbraw/zinc/39/33/76/635393376.db2.gz WHXVJKHYYUQOBQ-LBPRGKRZSA-N 2 2 200.370 2.351 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000041213135 635471725 /nfs/dbraw/zinc/47/17/25/635471725.db2.gz RKSJQMNRKQKFRA-WCQYABFASA-N 2 2 204.317 2.089 20 0 BEADLP c1csc(CC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257732644 631215771 /nfs/dbraw/zinc/21/57/71/631215771.db2.gz XLPUDPPYYYKDMW-CYBMUJFWSA-N 2 2 236.384 2.119 20 0 BEADLP c1csc(CC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257732644 631215772 /nfs/dbraw/zinc/21/57/72/631215772.db2.gz XLPUDPPYYYKDMW-CYBMUJFWSA-N 2 2 236.384 2.119 20 0 BEADLP Cc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1C ZINC000309032956 631805868 /nfs/dbraw/zinc/80/58/68/631805868.db2.gz CUIJBLCIMLDOSJ-NSHDSACASA-N 2 2 206.333 2.082 20 0 BEADLP Cc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1C ZINC000309032956 631805869 /nfs/dbraw/zinc/80/58/69/631805869.db2.gz CUIJBLCIMLDOSJ-NSHDSACASA-N 2 2 206.333 2.082 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc2cccnc21 ZINC000111380963 632133657 /nfs/dbraw/zinc/13/36/57/632133657.db2.gz OZLZCZKDKBVJPQ-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc2cccnc21 ZINC000111380963 632133660 /nfs/dbraw/zinc/13/36/60/632133660.db2.gz OZLZCZKDKBVJPQ-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccccn1)C1CC1 ZINC000924904276 635759524 /nfs/dbraw/zinc/75/95/24/635759524.db2.gz PNIVYHMLCKPGRO-CYBMUJFWSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccccn1)C1CC1 ZINC000924904276 635759526 /nfs/dbraw/zinc/75/95/26/635759526.db2.gz PNIVYHMLCKPGRO-CYBMUJFWSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000924968498 635815777 /nfs/dbraw/zinc/81/57/77/635815777.db2.gz ZJNIZLLXBTVSJW-CZXHOFHRSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H](C[NH2+][C@H]1[C@H](C)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000924968498 635815781 /nfs/dbraw/zinc/81/57/81/635815781.db2.gz ZJNIZLLXBTVSJW-CZXHOFHRSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC1 ZINC000309732682 632662783 /nfs/dbraw/zinc/66/27/83/632662783.db2.gz BMKPAWHAEQEAMQ-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1CCC1 ZINC000309732682 632662789 /nfs/dbraw/zinc/66/27/89/632662789.db2.gz BMKPAWHAEQEAMQ-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000080232583 633047270 /nfs/dbraw/zinc/04/72/70/633047270.db2.gz IBOGDDOUDUDOPZ-YPMHNXCESA-N 2 2 218.344 2.417 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000080232583 633047275 /nfs/dbraw/zinc/04/72/75/633047275.db2.gz IBOGDDOUDUDOPZ-YPMHNXCESA-N 2 2 218.344 2.417 20 0 BEADLP C[NH+](C)C1(C[NH2+]C2CC(C(F)F)C2)CCC1 ZINC000309489691 633173647 /nfs/dbraw/zinc/17/36/47/633173647.db2.gz WREPJEUYBWJWJC-UHFFFAOYSA-N 2 2 232.318 2.104 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000165970263 636085574 /nfs/dbraw/zinc/08/55/74/636085574.db2.gz QIHHGAMNGJNSQU-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000165970263 636085578 /nfs/dbraw/zinc/08/55/78/636085578.db2.gz QIHHGAMNGJNSQU-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000309768764 633726956 /nfs/dbraw/zinc/72/69/56/633726956.db2.gz JZBLQMJCDLVWGM-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000309768764 633726964 /nfs/dbraw/zinc/72/69/64/633726964.db2.gz JZBLQMJCDLVWGM-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)c(C)o1 ZINC000163177493 636135201 /nfs/dbraw/zinc/13/52/01/636135201.db2.gz DSZNWIWJNPWEQL-UHFFFAOYSA-N 2 2 233.315 2.273 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000053201906 634073383 /nfs/dbraw/zinc/07/33/83/634073383.db2.gz ACMKKCJSPSDGKR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC000053201906 634073389 /nfs/dbraw/zinc/07/33/89/634073389.db2.gz ACMKKCJSPSDGKR-HNNXBMFYSA-N 2 2 232.371 2.487 20 0 BEADLP COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000925583167 634088790 /nfs/dbraw/zinc/08/87/90/634088790.db2.gz JQESXAUTLBUGLR-WFASDCNBSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1ccc(CC[NH2+]C[C@H](C)[NH+](C)C)cc1C ZINC000893344990 634236000 /nfs/dbraw/zinc/23/60/00/634236000.db2.gz RDJPSBGANMKBKU-AWEZNQCLSA-N 2 2 234.387 2.386 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1=CCOCC1)c1ccccc1 ZINC000925679000 634276357 /nfs/dbraw/zinc/27/63/57/634276357.db2.gz GZDQNDVEMLPGMN-SWLSCSKDSA-N 2 2 246.354 2.011 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1=CCOCC1)c1ccccc1 ZINC000925678996 634277486 /nfs/dbraw/zinc/27/74/86/634277486.db2.gz GZDQNDVEMLPGMN-DOMZBBRYSA-N 2 2 246.354 2.011 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000925685053 634296284 /nfs/dbraw/zinc/29/62/84/634296284.db2.gz FDLDQBVIPWAOOB-WXHSDQCUSA-N 2 2 218.344 2.463 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693166 634326676 /nfs/dbraw/zinc/32/66/76/634326676.db2.gz LSJZTQIPFWAFGQ-AYRXBEOTSA-N 2 2 248.370 2.232 20 0 BEADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000925693168 634327236 /nfs/dbraw/zinc/32/72/36/634327236.db2.gz LSJZTQIPFWAFGQ-GBOPCIDUSA-N 2 2 248.370 2.232 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000925786225 635305819 /nfs/dbraw/zinc/30/58/19/635305819.db2.gz SHTJVWCYJMNMNI-YIKOMLBNSA-N 2 2 230.355 2.432 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174801 636352341 /nfs/dbraw/zinc/35/23/41/636352341.db2.gz BXMQBPRIKAWXPK-LXTVHRRPSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925174801 636352346 /nfs/dbraw/zinc/35/23/46/636352346.db2.gz BXMQBPRIKAWXPK-LXTVHRRPSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197061 636375858 /nfs/dbraw/zinc/37/58/58/636375858.db2.gz JZTRBAPIDZAKIL-LXTVHRRPSA-N 2 2 234.387 2.273 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000925197061 636375867 /nfs/dbraw/zinc/37/58/67/636375867.db2.gz JZTRBAPIDZAKIL-LXTVHRRPSA-N 2 2 234.387 2.273 20 0 BEADLP CCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041042034 636956241 /nfs/dbraw/zinc/95/62/41/636956241.db2.gz GRZWHFZFJIVJLR-LBPRGKRZSA-N 2 2 209.337 2.442 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cccnc21 ZINC000904429083 637398824 /nfs/dbraw/zinc/39/88/24/637398824.db2.gz WIKBCBNBLBKIMY-UONOGXRCSA-N 2 2 247.386 2.422 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000904462503 637406200 /nfs/dbraw/zinc/40/62/00/637406200.db2.gz KULHHHNIVDSMBN-LLVKDONJSA-N 2 2 224.373 2.144 20 0 BEADLP CC1(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CCC1 ZINC000904459117 637420730 /nfs/dbraw/zinc/42/07/30/637420730.db2.gz OFAJNUGWLYPZQU-ZIAGYGMSSA-N 2 2 230.355 2.391 20 0 BEADLP [NH3+]C1CC([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000906509507 638180803 /nfs/dbraw/zinc/18/08/03/638180803.db2.gz GVYBISNYHQFJEK-UHFFFAOYSA-N 2 2 228.698 2.058 20 0 BEADLP CCCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000906534483 638202369 /nfs/dbraw/zinc/20/23/69/638202369.db2.gz RKKMTHPJVQWGAD-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000906534483 638202376 /nfs/dbraw/zinc/20/23/76/638202376.db2.gz RKKMTHPJVQWGAD-ZDUSSCGKSA-N 2 2 210.365 2.393 20 0 BEADLP C=C/C=C\CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517187 640245303 /nfs/dbraw/zinc/24/53/03/640245303.db2.gz UYPOOVYPWHEMCS-ARJAWSKDSA-N 2 2 229.327 2.154 20 0 BEADLP C=C/C=C\CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517187 640245305 /nfs/dbraw/zinc/24/53/05/640245305.db2.gz UYPOOVYPWHEMCS-ARJAWSKDSA-N 2 2 229.327 2.154 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1(C)CCC1 ZINC000931721161 640339138 /nfs/dbraw/zinc/33/91/38/640339138.db2.gz KACHSOCFVDJVRQ-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1(C)CCC1 ZINC000931721161 640339147 /nfs/dbraw/zinc/33/91/47/640339147.db2.gz KACHSOCFVDJVRQ-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1(C)CCC1 ZINC000931721161 640339151 /nfs/dbraw/zinc/33/91/51/640339151.db2.gz KACHSOCFVDJVRQ-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1(C)CCC1 ZINC000931721161 640339158 /nfs/dbraw/zinc/33/91/58/640339158.db2.gz KACHSOCFVDJVRQ-QWHCGFSZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCCC1 ZINC000931720624 640341566 /nfs/dbraw/zinc/34/15/66/640341566.db2.gz UKVJXOWEMFQTCJ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCCC1 ZINC000931720624 640341569 /nfs/dbraw/zinc/34/15/69/640341569.db2.gz UKVJXOWEMFQTCJ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CCCC1 ZINC000931720624 640341574 /nfs/dbraw/zinc/34/15/74/640341574.db2.gz UKVJXOWEMFQTCJ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CCCC1 ZINC000931720624 640341577 /nfs/dbraw/zinc/34/15/77/640341577.db2.gz UKVJXOWEMFQTCJ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP c1ccc2c(c1)cncc2C[N@@H+]1CCC[NH2+]CC1 ZINC000165067373 640530409 /nfs/dbraw/zinc/53/04/09/640530409.db2.gz RQNMXXRQTABXTN-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1ccc2c(c1)cncc2C[N@H+]1CCC[NH2+]CC1 ZINC000165067373 640530418 /nfs/dbraw/zinc/53/04/18/640530418.db2.gz RQNMXXRQTABXTN-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740223 640756497 /nfs/dbraw/zinc/75/64/97/640756497.db2.gz HFWCYTOMWPRROS-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccncc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740223 640756501 /nfs/dbraw/zinc/75/65/01/640756501.db2.gz HFWCYTOMWPRROS-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccncc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740223 640756506 /nfs/dbraw/zinc/75/65/06/640756506.db2.gz HFWCYTOMWPRROS-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[C@@H](c1ccncc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740223 640756510 /nfs/dbraw/zinc/75/65/10/640756510.db2.gz HFWCYTOMWPRROS-AEGPPILISA-N 2 2 245.370 2.026 20 0 BEADLP C[NH+](C)CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000921474046 642632851 /nfs/dbraw/zinc/63/28/51/642632851.db2.gz LCWGWIIYSFYKKH-UHFFFAOYSA-N 2 2 247.386 2.002 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1c(C)cccc1C ZINC000233091570 642652148 /nfs/dbraw/zinc/65/21/48/642652148.db2.gz JWBRGJSXTWJGJN-UHFFFAOYSA-N 2 2 220.360 2.393 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000070356771 643018147 /nfs/dbraw/zinc/01/81/47/643018147.db2.gz CDUJPAWRSSODBD-MJBXVCDLSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000049687878 643186812 /nfs/dbraw/zinc/18/68/12/643186812.db2.gz LAGUKXVKVWATIF-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000049687878 643186816 /nfs/dbraw/zinc/18/68/16/643186816.db2.gz LAGUKXVKVWATIF-LBPRGKRZSA-N 2 2 224.373 2.288 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC000254972072 643193338 /nfs/dbraw/zinc/19/33/38/643193338.db2.gz SCUBPZPEJFITGF-SMYYYNMVSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000254972072 643193341 /nfs/dbraw/zinc/19/33/41/643193341.db2.gz SCUBPZPEJFITGF-SMYYYNMVSA-N 2 2 230.783 2.403 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c(C)c1 ZINC000082595025 643350929 /nfs/dbraw/zinc/35/09/29/643350929.db2.gz FIRZTMBWMTWMRS-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c(C)c1 ZINC000082595025 643350938 /nfs/dbraw/zinc/35/09/38/643350938.db2.gz FIRZTMBWMTWMRS-ZDUSSCGKSA-N 2 2 220.360 2.391 20 0 BEADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733393 643390170 /nfs/dbraw/zinc/39/01/70/643390170.db2.gz HHIRPWHVXKIPMW-WDEREUQCSA-N 2 2 239.388 2.183 20 0 BEADLP Cc1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000289532525 643577356 /nfs/dbraw/zinc/57/73/56/643577356.db2.gz NLPFNLRWQKZWPO-RYUDHWBXSA-N 2 2 247.342 2.059 20 0 BEADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc[nH+]1 ZINC000289532525 643577358 /nfs/dbraw/zinc/57/73/58/643577358.db2.gz NLPFNLRWQKZWPO-RYUDHWBXSA-N 2 2 247.342 2.059 20 0 BEADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1C ZINC000084011087 643643520 /nfs/dbraw/zinc/64/35/20/643643520.db2.gz IORZNSJPYLTJLK-AWEZNQCLSA-N 2 2 218.344 2.399 20 0 BEADLP Cc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1C ZINC000084011087 643643524 /nfs/dbraw/zinc/64/35/24/643643524.db2.gz IORZNSJPYLTJLK-AWEZNQCLSA-N 2 2 218.344 2.399 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000922284368 643952660 /nfs/dbraw/zinc/95/26/60/643952660.db2.gz BKESIJXIILLXPT-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000922284368 643952663 /nfs/dbraw/zinc/95/26/63/643952663.db2.gz BKESIJXIILLXPT-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCS[C@@H](C)C2)n1C ZINC000922836473 644113945 /nfs/dbraw/zinc/11/39/45/644113945.db2.gz CMOCXRCAHBNLPT-GXSJLCMTSA-N 2 2 239.388 2.102 20 0 BEADLP CCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923280094 644312975 /nfs/dbraw/zinc/31/29/75/644312975.db2.gz FBBCBPCGHPPHPL-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000923280094 644312981 /nfs/dbraw/zinc/31/29/81/644312981.db2.gz FBBCBPCGHPPHPL-ZIAGYGMSSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462272 644446020 /nfs/dbraw/zinc/44/60/20/644446020.db2.gz ABOJNJTXRPWHMT-AEGPPILISA-N 2 2 230.355 2.431 20 0 BEADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923462272 644446026 /nfs/dbraw/zinc/44/60/26/644446026.db2.gz ABOJNJTXRPWHMT-AEGPPILISA-N 2 2 230.355 2.431 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000087259122 644485886 /nfs/dbraw/zinc/48/58/86/644485886.db2.gz KIVJUTYIMVAAPM-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000087259122 644485890 /nfs/dbraw/zinc/48/58/90/644485890.db2.gz KIVJUTYIMVAAPM-LBPRGKRZSA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)OCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532944 644489683 /nfs/dbraw/zinc/48/96/83/644489683.db2.gz APVVXFYCGWIXRX-AWEZNQCLSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)OCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923532944 644489688 /nfs/dbraw/zinc/48/96/88/644489688.db2.gz APVVXFYCGWIXRX-AWEZNQCLSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])c2ccccc2n1 ZINC000092365277 644655471 /nfs/dbraw/zinc/65/54/71/644655471.db2.gz PWUKBTUNEQZCGN-NSHDSACASA-N 2 2 243.354 2.322 20 0 BEADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])c2ccccc2n1 ZINC000092365277 644655473 /nfs/dbraw/zinc/65/54/73/644655473.db2.gz PWUKBTUNEQZCGN-NSHDSACASA-N 2 2 243.354 2.322 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccoc2)CC[N@@H+]1C ZINC000093644822 644696535 /nfs/dbraw/zinc/69/65/35/644696535.db2.gz HPWGCJQESPUINC-AAEUAGOBSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccoc2)CC[N@H+]1C ZINC000093644822 644696541 /nfs/dbraw/zinc/69/65/41/644696541.db2.gz HPWGCJQESPUINC-AAEUAGOBSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644822 644696545 /nfs/dbraw/zinc/69/65/45/644696545.db2.gz HPWGCJQESPUINC-AAEUAGOBSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccoc2)CC[NH+]1C ZINC000093644822 644696549 /nfs/dbraw/zinc/69/65/49/644696549.db2.gz HPWGCJQESPUINC-AAEUAGOBSA-N 2 2 222.332 2.194 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)[NH+](C)C ZINC000094371218 644716784 /nfs/dbraw/zinc/71/67/84/644716784.db2.gz LOQCCOJTONXCIP-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+](CCC[NH2+]C1CC1)Cc1ccccn1 ZINC000094912892 644732847 /nfs/dbraw/zinc/73/28/47/644732847.db2.gz RSGYFMAFIMGZPF-UHFFFAOYSA-N 2 2 233.359 2.046 20 0 BEADLP CC[N@@H+](CCC[NH2+]C1CC1)Cc1ccccn1 ZINC000094912892 644732854 /nfs/dbraw/zinc/73/28/54/644732854.db2.gz RSGYFMAFIMGZPF-UHFFFAOYSA-N 2 2 233.359 2.046 20 0 BEADLP C/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926764232 645412666 /nfs/dbraw/zinc/41/26/66/645412666.db2.gz CIPXRLVCRTXPGW-XDYXTIEYSA-N 2 2 208.349 2.169 20 0 BEADLP C/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926764232 645412670 /nfs/dbraw/zinc/41/26/70/645412670.db2.gz CIPXRLVCRTXPGW-XDYXTIEYSA-N 2 2 208.349 2.169 20 0 BEADLP CC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925487067 645457906 /nfs/dbraw/zinc/45/79/06/645457906.db2.gz BJDZCFAWFUAANM-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925487067 645457913 /nfs/dbraw/zinc/45/79/13/645457913.db2.gz BJDZCFAWFUAANM-CHWSQXEVSA-N 2 2 222.376 2.393 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000852749554 645487404 /nfs/dbraw/zinc/48/74/04/645487404.db2.gz MMZOBZKZZBJMAY-AWEZNQCLSA-N 2 2 232.371 2.258 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000852749554 645487410 /nfs/dbraw/zinc/48/74/10/645487410.db2.gz MMZOBZKZZBJMAY-AWEZNQCLSA-N 2 2 232.371 2.258 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1CC=CC1 ZINC000926951951 645498511 /nfs/dbraw/zinc/49/85/11/645498511.db2.gz HLRCAXZNJPRGEA-IUODEOHRSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1CC=CC1 ZINC000926951951 645498518 /nfs/dbraw/zinc/49/85/18/645498518.db2.gz HLRCAXZNJPRGEA-IUODEOHRSA-N 2 2 234.387 2.415 20 0 BEADLP C[C@H](C[NH2+][C@H](CCC[NH3+])c1ccccc1)[NH+](C)C ZINC000925494608 645924231 /nfs/dbraw/zinc/92/42/31/645924231.db2.gz KPXMDYGPIKHYNU-UKRRQHHQSA-N 3 2 249.402 2.006 20 0 BEADLP CCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924531190 646051539 /nfs/dbraw/zinc/05/15/39/646051539.db2.gz JVHOREGZSSULCN-QWHCGFSZSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924531190 646051544 /nfs/dbraw/zinc/05/15/44/646051544.db2.gz JVHOREGZSSULCN-QWHCGFSZSA-N 2 2 210.365 2.393 20 0 BEADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000924540423 646059564 /nfs/dbraw/zinc/05/95/64/646059564.db2.gz IFVJIZNLDBDZGD-OCCSQVGLSA-N 2 2 244.423 2.246 20 0 BEADLP c1coc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924555433 646069063 /nfs/dbraw/zinc/06/90/63/646069063.db2.gz NMPNDMCUJDUBPO-CABCVRRESA-N 2 2 248.370 2.429 20 0 BEADLP c1coc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924555433 646069065 /nfs/dbraw/zinc/06/90/65/646069065.db2.gz NMPNDMCUJDUBPO-CABCVRRESA-N 2 2 248.370 2.429 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000929638153 646217413 /nfs/dbraw/zinc/21/74/13/646217413.db2.gz AZXMBWPYSLPIJI-AWEZNQCLSA-N 2 2 247.386 2.082 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000929638153 646217417 /nfs/dbraw/zinc/21/74/17/646217417.db2.gz AZXMBWPYSLPIJI-AWEZNQCLSA-N 2 2 247.386 2.082 20 0 BEADLP C(CC1CC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925482533 646294378 /nfs/dbraw/zinc/29/43/78/646294378.db2.gz VSJSQAMPALUONT-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925482533 646294383 /nfs/dbraw/zinc/29/43/83/646294383.db2.gz VSJSQAMPALUONT-ZIAGYGMSSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000925481909 646294840 /nfs/dbraw/zinc/29/48/40/646294840.db2.gz OWFDLOSQVMYUEA-QEJZJMRPSA-N 2 2 248.370 2.234 20 0 BEADLP C(CC1CC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925482531 646295419 /nfs/dbraw/zinc/29/54/19/646295419.db2.gz VSJSQAMPALUONT-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C(CC1CC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925482531 646295422 /nfs/dbraw/zinc/29/54/22/646295422.db2.gz VSJSQAMPALUONT-KGLIPLIRSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000925535217 646322326 /nfs/dbraw/zinc/32/23/26/646322326.db2.gz DEQJELRFFYHXDL-CFVMTHIKSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+]CCOCC1CC1)c1ccccc1 ZINC000925557328 646332869 /nfs/dbraw/zinc/33/28/69/646332869.db2.gz OMFUNITYWUDOIZ-SWLSCSKDSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)Oc1ccccc1 ZINC000925603206 646354312 /nfs/dbraw/zinc/35/43/12/646354312.db2.gz JPIHNIRAMNFGAO-JSGCOSHPSA-N 2 2 248.370 2.184 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925622204 646370111 /nfs/dbraw/zinc/37/01/11/646370111.db2.gz LPRYEPKXBPPRLH-AWEZNQCLSA-N 2 2 248.370 2.234 20 0 BEADLP COC/C(C)=C\C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992153 646386405 /nfs/dbraw/zinc/38/64/05/646386405.db2.gz NARURACTYHWVSZ-QWGHSUKYSA-N 2 2 249.358 2.182 20 0 BEADLP COC/C(C)=C\C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992153 646386410 /nfs/dbraw/zinc/38/64/10/646386410.db2.gz NARURACTYHWVSZ-QWGHSUKYSA-N 2 2 249.358 2.182 20 0 BEADLP C[C@H](F)CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925676879 646404908 /nfs/dbraw/zinc/40/49/08/646404908.db2.gz MGTKSKGSBDPYLG-GMXVVIOVSA-N 2 2 224.323 2.413 20 0 BEADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1 ZINC000925684948 646410905 /nfs/dbraw/zinc/41/09/05/646410905.db2.gz FDLDQBVIPWAOOB-WCFLWFBJSA-N 2 2 218.344 2.463 20 0 BEADLP Cc1cc(N[C@@H]2CC[NH2+]C2(C)C)c[nH+]c1C ZINC000925768265 646468484 /nfs/dbraw/zinc/46/84/84/646468484.db2.gz IQFSEXDMNOYKMY-GFCCVEGCSA-N 2 2 219.332 2.251 20 0 BEADLP C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1F)C1C[NH2+]C1 ZINC000925769499 646471163 /nfs/dbraw/zinc/47/11/63/646471163.db2.gz FDOUZVUCYBCAIO-VQISRLSMSA-N 2 2 248.345 2.210 20 0 BEADLP Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])c[nH+]c1C ZINC000925770520 646471308 /nfs/dbraw/zinc/47/13/08/646471308.db2.gz USJWBFJVJIJFEC-AAEUAGOBSA-N 2 2 219.332 2.238 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925787864 646483318 /nfs/dbraw/zinc/48/33/18/646483318.db2.gz VYSJLIGTNNMRNT-YRGRVCCFSA-N 2 2 218.344 2.254 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccns1 ZINC000926230543 646599764 /nfs/dbraw/zinc/59/97/64/646599764.db2.gz VCEPNKQNFCGGPY-VHSXEESVSA-N 2 2 248.355 2.005 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000926236127 646603301 /nfs/dbraw/zinc/60/33/01/646603301.db2.gz AMOLPJUUZGJAGA-ITGUQSILSA-N 2 2 224.392 2.495 20 0 BEADLP FC1(F)CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926284168 646611342 /nfs/dbraw/zinc/61/13/42/646611342.db2.gz TXHSKZVHKBGRPK-NEPJUHHUSA-N 2 2 244.329 2.391 20 0 BEADLP FC1(F)CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926284168 646611343 /nfs/dbraw/zinc/61/13/43/646611343.db2.gz TXHSKZVHKBGRPK-NEPJUHHUSA-N 2 2 244.329 2.391 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@H]3C=C[C@@H]1CC3)C2 ZINC000926448769 646640462 /nfs/dbraw/zinc/64/04/62/646640462.db2.gz BIHBKJONYQCUEH-OPDFLTKYSA-N 2 2 243.354 2.211 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccns1 ZINC000926451159 646641806 /nfs/dbraw/zinc/64/18/06/646641806.db2.gz WPBOFRKQLDPJQW-BDAKNGLRSA-N 2 2 248.355 2.074 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)OC ZINC000926461035 646648229 /nfs/dbraw/zinc/64/82/29/646648229.db2.gz IQLAGGRXFDTHHQ-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)OC ZINC000926461035 646648233 /nfs/dbraw/zinc/64/82/33/646648233.db2.gz IQLAGGRXFDTHHQ-RDBSUJKOSA-N 2 2 240.391 2.018 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000718862972 711665056 /nfs/dbraw/zinc/66/50/56/711665056.db2.gz XUAHPPDNKUNODO-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000718862972 711665057 /nfs/dbraw/zinc/66/50/57/711665057.db2.gz XUAHPPDNKUNODO-ZIAGYGMSSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H](C[NH2+]Cc1ccc(Cl)cn1)C[NH+](C)C ZINC000703855175 712090615 /nfs/dbraw/zinc/09/06/15/712090615.db2.gz GJNLRNRMXUBSJB-JTQLQIEISA-N 2 2 241.766 2.022 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000390480012 712418988 /nfs/dbraw/zinc/41/89/88/712418988.db2.gz MJPNOFXPZGMTIE-MDZLAQPJSA-N 2 2 242.432 2.200 20 0 BEADLP CSCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000390480012 712418990 /nfs/dbraw/zinc/41/89/90/712418990.db2.gz MJPNOFXPZGMTIE-MDZLAQPJSA-N 2 2 242.432 2.200 20 0 BEADLP CC1(C)C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714351302 712483210 /nfs/dbraw/zinc/48/32/10/712483210.db2.gz YRIDXYSOIDXIMO-RYUDHWBXSA-N 2 2 240.391 2.003 20 0 BEADLP CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714351302 712483212 /nfs/dbraw/zinc/48/32/12/712483212.db2.gz YRIDXYSOIDXIMO-RYUDHWBXSA-N 2 2 240.391 2.003 20 0 BEADLP CC1(C[NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000379954277 712636118 /nfs/dbraw/zinc/63/61/18/712636118.db2.gz FXRZSGHXVDANJH-UHFFFAOYSA-N 2 2 207.321 2.053 20 0 BEADLP Cc1coc(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000718117646 712744387 /nfs/dbraw/zinc/74/43/87/712744387.db2.gz XEKFJZVAODKNKN-LLVKDONJSA-N 2 2 210.321 2.018 20 0 BEADLP C[C@H]([NH2+]CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000037712596 712745001 /nfs/dbraw/zinc/74/50/01/712745001.db2.gz JZYNGVQTNDHIDC-QMMMGPOBSA-N 2 2 232.249 2.315 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000380719480 712902719 /nfs/dbraw/zinc/90/27/19/712902719.db2.gz OGUWPZDWNNPMRO-MXWKQRLJSA-N 2 2 232.318 2.233 20 0 BEADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000380719480 712902720 /nfs/dbraw/zinc/90/27/20/712902720.db2.gz OGUWPZDWNNPMRO-MXWKQRLJSA-N 2 2 232.318 2.233 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000389941449 711099720 /nfs/dbraw/zinc/09/97/20/711099720.db2.gz OSCQCEPTQFTVCM-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000389941449 711099724 /nfs/dbraw/zinc/09/97/24/711099724.db2.gz OSCQCEPTQFTVCM-XQQFMLRXSA-N 2 2 210.365 2.249 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000390279619 711111123 /nfs/dbraw/zinc/11/11/23/711111123.db2.gz UVTDKGBECBDPKN-MYSGNRETSA-N 2 2 216.328 2.123 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000390279619 711111124 /nfs/dbraw/zinc/11/11/24/711111124.db2.gz UVTDKGBECBDPKN-MYSGNRETSA-N 2 2 216.328 2.123 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000393804968 711175924 /nfs/dbraw/zinc/17/59/24/711175924.db2.gz VYUWAODSUQMIGK-STQMWFEESA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cocn1 ZINC000395197602 711205244 /nfs/dbraw/zinc/20/52/44/711205244.db2.gz TZHKCNUNYXDZLJ-LBPRGKRZSA-N 2 2 248.330 2.076 20 0 BEADLP Cc1ccc(OCC[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000395527852 711211448 /nfs/dbraw/zinc/21/14/48/711211448.db2.gz ZVCPLDWDXOOUPI-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(OCC[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000395527852 711211452 /nfs/dbraw/zinc/21/14/52/711211452.db2.gz ZVCPLDWDXOOUPI-UHFFFAOYSA-N 2 2 248.370 2.187 20 0 BEADLP [NH3+]CCCCCC[N@H+](CC(F)F)C1CC1 ZINC000386003350 711021241 /nfs/dbraw/zinc/02/12/41/711021241.db2.gz FEGYBMQEFFQWNK-UHFFFAOYSA-N 2 2 220.307 2.235 20 0 BEADLP [NH3+]CCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000386003350 711021243 /nfs/dbraw/zinc/02/12/43/711021243.db2.gz FEGYBMQEFFQWNK-UHFFFAOYSA-N 2 2 220.307 2.235 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000723641678 711529415 /nfs/dbraw/zinc/52/94/15/711529415.db2.gz MZUVGUOOMMBSQK-LBPRGKRZSA-N 2 2 239.363 2.097 20 0 BEADLP Cc1nc(C)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000723641678 711529416 /nfs/dbraw/zinc/52/94/16/711529416.db2.gz MZUVGUOOMMBSQK-LBPRGKRZSA-N 2 2 239.363 2.097 20 0 BEADLP CCCN(Cc1cc(C)cc(C)[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000723846166 711538873 /nfs/dbraw/zinc/53/88/73/711538873.db2.gz OGIOPLIVZGWCPQ-OAHLLOKOSA-N 2 2 247.386 2.272 20 0 BEADLP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000724678125 711607631 /nfs/dbraw/zinc/60/76/31/711607631.db2.gz STDZWSZKJFOEOU-GRYCIOLGSA-N 2 2 219.332 2.305 20 0 BEADLP FC1(F)CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000313279820 711715963 /nfs/dbraw/zinc/71/59/63/711715963.db2.gz KATKCUYSAWULRP-YOGCLGLASA-N 2 2 244.329 2.248 20 0 BEADLP FC1(F)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000313279820 711715964 /nfs/dbraw/zinc/71/59/64/711715964.db2.gz KATKCUYSAWULRP-YOGCLGLASA-N 2 2 244.329 2.248 20 0 BEADLP [NH3+]CCCCCCC[N@@H+]1CCC(F)(F)C1 ZINC000313316179 711716767 /nfs/dbraw/zinc/71/67/67/711716767.db2.gz TYWNUZZJXUFZDH-UHFFFAOYSA-N 2 2 220.307 2.237 20 0 BEADLP [NH3+]CCCCCCC[N@H+]1CCC(F)(F)C1 ZINC000313316179 711716768 /nfs/dbraw/zinc/71/67/68/711716768.db2.gz TYWNUZZJXUFZDH-UHFFFAOYSA-N 2 2 220.307 2.237 20 0 BEADLP C[N@H+](CCSC(F)(F)F)C1(C[NH3+])CCC1 ZINC000385371853 711771358 /nfs/dbraw/zinc/77/13/58/711771358.db2.gz QPZDHORSVZXYAY-UHFFFAOYSA-N 2 2 242.310 2.053 20 0 BEADLP C[N@@H+](CCSC(F)(F)F)C1(C[NH3+])CCC1 ZINC000385371853 711771359 /nfs/dbraw/zinc/77/13/59/711771359.db2.gz QPZDHORSVZXYAY-UHFFFAOYSA-N 2 2 242.310 2.053 20 0 BEADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000164897481 711825523 /nfs/dbraw/zinc/82/55/23/711825523.db2.gz IBOGDDOUDUDOPZ-DGCLKSJQSA-N 2 2 218.344 2.417 20 0 BEADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000164897481 711825524 /nfs/dbraw/zinc/82/55/24/711825524.db2.gz IBOGDDOUDUDOPZ-DGCLKSJQSA-N 2 2 218.344 2.417 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H](C)C[NH+](C)C)cc1C ZINC000228130469 711833638 /nfs/dbraw/zinc/83/36/38/711833638.db2.gz DBDFDXMASNQUSY-AWEZNQCLSA-N 2 2 234.387 2.386 20 0 BEADLP CC1(C)C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1[NH3+] ZINC000388161535 711845466 /nfs/dbraw/zinc/84/54/66/711845466.db2.gz UCKIONVZFLUUSC-OAHLLOKOSA-N 2 2 244.382 2.344 20 0 BEADLP CC1(C)C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1[NH3+] ZINC000388161535 711845469 /nfs/dbraw/zinc/84/54/69/711845469.db2.gz UCKIONVZFLUUSC-OAHLLOKOSA-N 2 2 244.382 2.344 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000423377658 711957869 /nfs/dbraw/zinc/95/78/69/711957869.db2.gz VYUPYNWVABUQQN-KWQFWETISA-N 2 2 240.347 2.299 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000701828030 712029923 /nfs/dbraw/zinc/02/99/23/712029923.db2.gz KNCJXPGXAFPIQA-UWVGGRQHSA-N 2 2 238.297 2.041 20 0 BEADLP CSC1CC([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000706740463 712153303 /nfs/dbraw/zinc/15/33/03/712153303.db2.gz CLQMWTCZJBUOLO-CPCZMJQVSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@]12C[C@H]1CCCC2 ZINC000709140016 712209764 /nfs/dbraw/zinc/20/97/64/712209764.db2.gz FBTHHWXUSZSGHK-MJBXVCDLSA-N 2 2 233.359 2.442 20 0 BEADLP C[C@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000379780211 712398755 /nfs/dbraw/zinc/39/87/55/712398755.db2.gz BZXSKLAPOGMFBU-RYUDHWBXSA-N 2 2 207.321 2.051 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000390436037 712417226 /nfs/dbraw/zinc/41/72/26/712417226.db2.gz SDWLKFGTJPNAOF-MRVWCRGKSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000390436037 712417228 /nfs/dbraw/zinc/41/72/28/712417228.db2.gz SDWLKFGTJPNAOF-MRVWCRGKSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+](Cc1ccccn1)C1(C[NH3+])CCCCC1 ZINC000036777258 712494595 /nfs/dbraw/zinc/49/45/95/712494595.db2.gz QIVLJKIMYJMRFT-UHFFFAOYSA-N 2 2 233.359 2.175 20 0 BEADLP C[N@@H+](Cc1ccccn1)C1(C[NH3+])CCCCC1 ZINC000036777258 712494597 /nfs/dbraw/zinc/49/45/97/712494597.db2.gz QIVLJKIMYJMRFT-UHFFFAOYSA-N 2 2 233.359 2.175 20 0 BEADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)C ZINC000037220377 712553293 /nfs/dbraw/zinc/55/32/93/712553293.db2.gz UHZNFJKPLGIAQO-LLVKDONJSA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717042049 712624697 /nfs/dbraw/zinc/62/46/97/712624697.db2.gz DQBNQGCNZKPWIN-UWVGGRQHSA-N 2 2 238.297 2.244 20 0 BEADLP CC(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717042049 712624698 /nfs/dbraw/zinc/62/46/98/712624698.db2.gz DQBNQGCNZKPWIN-UWVGGRQHSA-N 2 2 238.297 2.244 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000718036107 712737220 /nfs/dbraw/zinc/73/72/20/712737220.db2.gz OMPJWSXAVFPKEK-VXGBXAGGSA-N 2 2 222.332 2.160 20 0 BEADLP Cc1coc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000718036107 712737222 /nfs/dbraw/zinc/73/72/22/712737222.db2.gz OMPJWSXAVFPKEK-VXGBXAGGSA-N 2 2 222.332 2.160 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)s1 ZINC000037712776 712744684 /nfs/dbraw/zinc/74/46/84/712744684.db2.gz ULUZMERZBUSTEH-ZCFIWIBFSA-N 2 2 204.726 2.011 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000718130641 712747181 /nfs/dbraw/zinc/74/71/81/712747181.db2.gz ISQDVTRJCUBAIC-STQMWFEESA-N 2 2 234.343 2.304 20 0 BEADLP Cc1coc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000718130641 712747183 /nfs/dbraw/zinc/74/71/83/712747183.db2.gz ISQDVTRJCUBAIC-STQMWFEESA-N 2 2 234.343 2.304 20 0 BEADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)CC1 ZINC000718791896 712784119 /nfs/dbraw/zinc/78/41/19/712784119.db2.gz RFIXEUYELPHVAZ-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)CC1 ZINC000718791892 712784273 /nfs/dbraw/zinc/78/42/73/712784273.db2.gz RFIXEUYELPHVAZ-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]1[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1C ZINC000719575786 712811599 /nfs/dbraw/zinc/81/15/99/712811599.db2.gz QNGKLEFJUUQIBT-MNOVXSKESA-N 2 2 244.342 2.078 20 0 BEADLP C[C@@H]1[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1C ZINC000719575786 712811600 /nfs/dbraw/zinc/81/16/00/712811600.db2.gz QNGKLEFJUUQIBT-MNOVXSKESA-N 2 2 244.342 2.078 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCC1 ZINC000380354065 712892881 /nfs/dbraw/zinc/89/28/81/712892881.db2.gz WHKOPDFPNJLOJR-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCC1 ZINC000380354065 712892883 /nfs/dbraw/zinc/89/28/83/712892883.db2.gz WHKOPDFPNJLOJR-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(F)[C@H](F)C2)C1 ZINC001208609115 957099201 /nfs/dbraw/zinc/09/92/01/957099201.db2.gz YDDFORKMBDPBSR-YNEHKIRRSA-N 2 2 246.345 2.100 20 0 BEADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@](C)(F)[C@H](F)C2)C1 ZINC001208609115 957099213 /nfs/dbraw/zinc/09/92/13/957099213.db2.gz YDDFORKMBDPBSR-YNEHKIRRSA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)C1 ZINC001208609115 957099226 /nfs/dbraw/zinc/09/92/26/957099226.db2.gz YDDFORKMBDPBSR-YNEHKIRRSA-N 2 2 246.345 2.100 20 0 BEADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)C1 ZINC001208609115 957099242 /nfs/dbraw/zinc/09/92/42/957099242.db2.gz YDDFORKMBDPBSR-YNEHKIRRSA-N 2 2 246.345 2.100 20 0 BEADLP CSc1cc[nH+]c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001158626867 963894609 /nfs/dbraw/zinc/89/46/09/963894609.db2.gz GUTPYOCJEYSDJV-SNVBAGLBSA-N 2 2 237.372 2.358 20 0 BEADLP COc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697919583 964678369 /nfs/dbraw/zinc/67/83/69/964678369.db2.gz HYNLFNXRIVSEFO-LBPRGKRZSA-N 2 2 236.359 2.125 20 0 BEADLP CCOc1ccc(C)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001236907490 966614593 /nfs/dbraw/zinc/61/45/93/966614593.db2.gz ACNZPCQNOMLBOW-LBPRGKRZSA-N 2 2 236.359 2.173 20 0 BEADLP CCOc1ccc(C)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001236907490 966614603 /nfs/dbraw/zinc/61/46/03/966614603.db2.gz ACNZPCQNOMLBOW-LBPRGKRZSA-N 2 2 236.359 2.173 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)CC1 ZINC001205101180 967348366 /nfs/dbraw/zinc/34/83/66/967348366.db2.gz AVMOPDLGVLBMEU-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)C1 ZINC001658311090 1165990380 /nfs/dbraw/zinc/99/03/80/1165990380.db2.gz UABDKYXSMBTDOV-MELADBBJSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)C1 ZINC001658311090 1165990382 /nfs/dbraw/zinc/99/03/82/1165990382.db2.gz UABDKYXSMBTDOV-MELADBBJSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000822128248 968507478 /nfs/dbraw/zinc/50/74/78/968507478.db2.gz NUAHMNOZOHSELU-IJLUTSLNSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCOC2CCCCC2)C[NH2+]1 ZINC000399080737 1166125790 /nfs/dbraw/zinc/12/57/90/1166125790.db2.gz RSYPQZYGFPGJEH-CHWSQXEVSA-N 2 2 240.391 2.066 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1C ZINC000227675980 1166263586 /nfs/dbraw/zinc/26/35/86/1166263586.db2.gz XYPPCUNVMIQOSY-XHDPSFHLSA-N 2 2 232.371 2.473 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1C ZINC000227675980 1166263592 /nfs/dbraw/zinc/26/35/92/1166263592.db2.gz XYPPCUNVMIQOSY-XHDPSFHLSA-N 2 2 232.371 2.473 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000253187428 1166408428 /nfs/dbraw/zinc/40/84/28/1166408428.db2.gz JFVZTDGQJHNWCQ-XBFCOCLRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000253187428 1166408435 /nfs/dbraw/zinc/40/84/35/1166408435.db2.gz JFVZTDGQJHNWCQ-XBFCOCLRSA-N 2 2 222.376 2.249 20 0 BEADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1C1CCCC1 ZINC000167865114 1166423443 /nfs/dbraw/zinc/42/34/43/1166423443.db2.gz KXTFAWZPDBWQDU-OAHLLOKOSA-N 2 2 230.355 2.315 20 0 BEADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1C1CCCC1 ZINC000167865114 1166423447 /nfs/dbraw/zinc/42/34/47/1166423447.db2.gz KXTFAWZPDBWQDU-OAHLLOKOSA-N 2 2 230.355 2.315 20 0 BEADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209731570 969596557 /nfs/dbraw/zinc/59/65/57/969596557.db2.gz TXXHAGQTRZYAIT-MNOVXSKESA-N 2 2 219.332 2.115 20 0 BEADLP C[N@H+](Cc1cncs1)[C@H]1CCC[NH+](C)CC1 ZINC001254532367 969727015 /nfs/dbraw/zinc/72/70/15/969727015.db2.gz RVZOXPCSIJPVNQ-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP C[N@@H+](Cc1cncs1)[C@H]1CCC[NH+](C)CC1 ZINC001254532367 969727019 /nfs/dbraw/zinc/72/70/19/969727019.db2.gz RVZOXPCSIJPVNQ-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](Cc1cncs1)[C@H]1CCC[N@H+](C)CC1 ZINC001254532367 969727024 /nfs/dbraw/zinc/72/70/24/969727024.db2.gz RVZOXPCSIJPVNQ-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP C[NH+](Cc1cncs1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532367 969727027 /nfs/dbraw/zinc/72/70/27/969727027.db2.gz RVZOXPCSIJPVNQ-NSHDSACASA-N 2 2 239.388 2.059 20 0 BEADLP CC(C)C[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839233 969802364 /nfs/dbraw/zinc/80/23/64/969802364.db2.gz OHMIDKRULPFWPR-OCCSQVGLSA-N 2 2 224.392 2.495 20 0 BEADLP COC1(C[NH2+]C(C)(C)C[NH+]2CCCC2)CCC1 ZINC000452097335 1166548485 /nfs/dbraw/zinc/54/84/85/1166548485.db2.gz QCJOSJHXXWQZDD-UHFFFAOYSA-N 2 2 240.391 2.020 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@H+](CCC[NH3+])C(C)C ZINC001255940438 970571802 /nfs/dbraw/zinc/57/18/02/970571802.db2.gz CALIYQBIJQYBGQ-CQSZACIVSA-N 3 2 243.439 2.166 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C ZINC001255940438 970571812 /nfs/dbraw/zinc/57/18/12/970571812.db2.gz CALIYQBIJQYBGQ-CQSZACIVSA-N 3 2 243.439 2.166 20 0 BEADLP CCC[C@@H](C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251266603 1166852226 /nfs/dbraw/zinc/85/22/26/1166852226.db2.gz DMLOIQOVZBXXQB-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCC[C@@H](C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000251266603 1166852231 /nfs/dbraw/zinc/85/22/31/1166852231.db2.gz DMLOIQOVZBXXQB-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCC[C@@H](C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000251266603 1166852236 /nfs/dbraw/zinc/85/22/36/1166852236.db2.gz DMLOIQOVZBXXQB-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP CCC[C@@H](C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000251266603 1166852242 /nfs/dbraw/zinc/85/22/42/1166852242.db2.gz DMLOIQOVZBXXQB-OLZOCXBDSA-N 2 2 210.365 2.345 20 0 BEADLP Cc1ccc(N[C@@H]2C[N@@H+](C)C[C@H]2C)c(C)[nH+]1 ZINC000381530654 1166942050 /nfs/dbraw/zinc/94/20/50/1166942050.db2.gz YWHVBXFUOGQHIL-NOZJJQNGSA-N 2 2 219.332 2.060 20 0 BEADLP Cc1ccc(N[C@@H]2C[N@H+](C)C[C@H]2C)c(C)[nH+]1 ZINC000381530654 1166942054 /nfs/dbraw/zinc/94/20/54/1166942054.db2.gz YWHVBXFUOGQHIL-NOZJJQNGSA-N 2 2 219.332 2.060 20 0 BEADLP CCSC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001173316537 975303639 /nfs/dbraw/zinc/30/36/39/975303639.db2.gz XVHNLQQTTOJDRT-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001173316537 975303645 /nfs/dbraw/zinc/30/36/45/975303645.db2.gz XVHNLQQTTOJDRT-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001173316537 975303649 /nfs/dbraw/zinc/30/36/49/975303649.db2.gz XVHNLQQTTOJDRT-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CCSC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001173316537 975303655 /nfs/dbraw/zinc/30/36/55/975303655.db2.gz XVHNLQQTTOJDRT-AVGNSLFASA-N 2 2 242.432 2.154 20 0 BEADLP CC(C)SCC[NH2+]CC1([NH+](C)C)CCC1 ZINC000308804801 1167200848 /nfs/dbraw/zinc/20/08/48/1167200848.db2.gz OEHSTDGECKSIIH-UHFFFAOYSA-N 2 2 230.421 2.202 20 0 BEADLP CC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000251941197 1167464532 /nfs/dbraw/zinc/46/45/32/1167464532.db2.gz SMXYWULJWIGYEQ-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP CC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000251941197 1167464535 /nfs/dbraw/zinc/46/45/35/1167464535.db2.gz SMXYWULJWIGYEQ-RISCZKNCSA-N 2 2 218.344 2.171 20 0 BEADLP C[N@H+](C[C@H]1CCC[NH2+]1)[C@H]1CCc2ccccc21 ZINC000300127455 1167471799 /nfs/dbraw/zinc/47/17/99/1167471799.db2.gz JOJKZODNYXITNH-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@@H+](C[C@H]1CCC[NH2+]1)[C@H]1CCc2ccccc21 ZINC000300127455 1167471802 /nfs/dbraw/zinc/47/18/02/1167471802.db2.gz JOJKZODNYXITNH-HIFRSBDPSA-N 2 2 230.355 2.358 20 0 BEADLP c1ccc(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000213346713 1167716161 /nfs/dbraw/zinc/71/61/61/1167716161.db2.gz CBKJBDVTPIDJFY-CQSZACIVSA-N 2 2 245.370 2.013 20 0 BEADLP Cc1cccnc1[C@@H]([NH2+]C[C@H](C)[NH3+])C(C)(C)C ZINC001337823727 978515487 /nfs/dbraw/zinc/51/54/87/978515487.db2.gz DRUDECBLJUCPHO-WCQYABFASA-N 2 2 235.375 2.414 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCC1CCCC1)C2 ZINC001235164562 978985102 /nfs/dbraw/zinc/98/51/02/978985102.db2.gz AVEXSLDZPBSDTC-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCC1CCCC1)C2 ZINC001235164562 978985106 /nfs/dbraw/zinc/98/51/06/978985106.db2.gz AVEXSLDZPBSDTC-UONOGXRCSA-N 2 2 222.376 2.380 20 0 BEADLP C/C(=C\C=C\[NH3+])N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168548153 1168272579 /nfs/dbraw/zinc/27/25/79/1168272579.db2.gz DHWSAKDGRQADOD-LFZRPOOFSA-N 2 2 243.354 2.315 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cc(OC)c1 ZINC001236868307 979770341 /nfs/dbraw/zinc/77/03/41/979770341.db2.gz APRWSDHUWSGRFU-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cc(OC)c1 ZINC001236868307 979770348 /nfs/dbraw/zinc/77/03/48/979770348.db2.gz APRWSDHUWSGRFU-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CCOc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1C ZINC001236908397 979794449 /nfs/dbraw/zinc/79/44/49/979794449.db2.gz HNTHJTKXMKGUBW-LBPRGKRZSA-N 2 2 236.359 2.173 20 0 BEADLP CCOc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1C ZINC001236908397 979794455 /nfs/dbraw/zinc/79/44/55/979794455.db2.gz HNTHJTKXMKGUBW-LBPRGKRZSA-N 2 2 236.359 2.173 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086935191 1168409207 /nfs/dbraw/zinc/40/92/07/1168409207.db2.gz JTOHFWFQBVOXBU-AVGNSLFASA-N 2 2 244.448 2.446 20 0 BEADLP CCc1[nH]c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(C)[nH+]1 ZINC001203236184 1168777476 /nfs/dbraw/zinc/77/74/76/1168777476.db2.gz FHQWPSCUIURSJG-DCAQKATOSA-N 2 2 237.322 2.070 20 0 BEADLP CCc1[nH]c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(C)[nH+]1 ZINC001203236184 1168777483 /nfs/dbraw/zinc/77/74/83/1168777483.db2.gz FHQWPSCUIURSJG-DCAQKATOSA-N 2 2 237.322 2.070 20 0 BEADLP CCC(CC)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201535152 983291941 /nfs/dbraw/zinc/29/19/41/983291941.db2.gz YPYRJDKJFKRBDA-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201535152 983291948 /nfs/dbraw/zinc/29/19/48/983291948.db2.gz YPYRJDKJFKRBDA-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201535152 983291958 /nfs/dbraw/zinc/29/19/58/983291958.db2.gz YPYRJDKJFKRBDA-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CCC(CC)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201535152 983291966 /nfs/dbraw/zinc/29/19/66/983291966.db2.gz YPYRJDKJFKRBDA-UONOGXRCSA-N 2 2 224.392 2.449 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCC ZINC000053345003 1169134474 /nfs/dbraw/zinc/13/44/74/1169134474.db2.gz SGJGCTWAGGGOMU-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCC ZINC000053345003 1169134476 /nfs/dbraw/zinc/13/44/76/1169134476.db2.gz SGJGCTWAGGGOMU-GFCCVEGCSA-N 2 2 200.370 2.497 20 0 BEADLP CSc1cc[nH+]c(NCCn2cc[nH+]c2C)c1 ZINC001156010594 1169422318 /nfs/dbraw/zinc/42/23/18/1169422318.db2.gz MCIYEZDVADLHIM-UHFFFAOYSA-N 2 2 248.355 2.421 20 0 BEADLP Nc1[nH+]cccc1-c1ccc2c(c1)[C@H]([NH3+])CC2 ZINC001243476374 970768808 /nfs/dbraw/zinc/76/88/08/970768808.db2.gz CVJYVGYZTZSQBR-CYBMUJFWSA-N 2 2 225.295 2.277 20 0 BEADLP CCCc1cc(N2CCC[C@@H]([NH3+])[C@H]2C)nc(C)[nH+]1 ZINC001157749098 970783187 /nfs/dbraw/zinc/78/31/87/970783187.db2.gz YSLKTDMMFLZZKN-ZWNOBZJWSA-N 2 2 248.374 2.054 20 0 BEADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC=C(Cl)Cl)C2 ZINC000403580895 970989728 /nfs/dbraw/zinc/98/97/28/970989728.db2.gz ZYKKQVLKNMRCCH-ONGXEEELSA-N 2 2 249.185 2.366 20 0 BEADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC=C(Cl)Cl)C2 ZINC000403580895 970989737 /nfs/dbraw/zinc/98/97/37/970989737.db2.gz ZYKKQVLKNMRCCH-ONGXEEELSA-N 2 2 249.185 2.366 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257070892 971086417 /nfs/dbraw/zinc/08/64/17/971086417.db2.gz RBVZRNSDDVFQJT-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257070892 971086422 /nfs/dbraw/zinc/08/64/22/971086422.db2.gz RBVZRNSDDVFQJT-BZPMIXESSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC001257219755 971133723 /nfs/dbraw/zinc/13/37/23/971133723.db2.gz JCAAFWRNQFMRDL-GFCCVEGCSA-N 2 2 228.355 2.293 20 0 BEADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001257219755 971133729 /nfs/dbraw/zinc/13/37/29/971133729.db2.gz JCAAFWRNQFMRDL-GFCCVEGCSA-N 2 2 228.355 2.293 20 0 BEADLP CCC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001257315394 971213261 /nfs/dbraw/zinc/21/32/61/971213261.db2.gz WVAPWLALLKSEJM-LLVKDONJSA-N 2 2 208.305 2.239 20 0 BEADLP CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001257324854 971228281 /nfs/dbraw/zinc/22/82/81/971228281.db2.gz VFCZDOYDGITVNB-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001257324854 971228283 /nfs/dbraw/zinc/22/82/83/971228283.db2.gz VFCZDOYDGITVNB-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001257324854 971228285 /nfs/dbraw/zinc/22/82/85/971228285.db2.gz VFCZDOYDGITVNB-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001257324854 971228288 /nfs/dbraw/zinc/22/82/88/971228288.db2.gz VFCZDOYDGITVNB-UPJWGTAASA-N 2 2 210.365 2.344 20 0 BEADLP CCCCCC[C@@H](CC)[NH2+]C1(C[NH3+])COC1 ZINC001170578504 971245204 /nfs/dbraw/zinc/24/52/04/971245204.db2.gz JJYAEGSLALDTMN-GFCCVEGCSA-N 2 2 228.380 2.053 20 0 BEADLP Cc1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)cn1 ZINC000405721971 971300258 /nfs/dbraw/zinc/30/02/58/971300258.db2.gz UPMXYIMKSUVKJC-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP Cc1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)cn1 ZINC000405721971 971300262 /nfs/dbraw/zinc/30/02/62/971300262.db2.gz UPMXYIMKSUVKJC-UHFFFAOYSA-N 2 2 247.386 2.483 20 0 BEADLP C[C@]1([NH3+])CC[N@H+](Cc2coc3ccccc23)C1 ZINC000405848043 971315643 /nfs/dbraw/zinc/31/56/43/971315643.db2.gz WHIXHYHROCHHMB-AWEZNQCLSA-N 2 2 230.311 2.356 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+](Cc2coc3ccccc23)C1 ZINC000405848043 971315646 /nfs/dbraw/zinc/31/56/46/971315646.db2.gz WHIXHYHROCHHMB-AWEZNQCLSA-N 2 2 230.311 2.356 20 0 BEADLP Cc1[nH+]c2c(n1C1CCCCC1)CC[NH2+]CC2 ZINC001257456560 971377220 /nfs/dbraw/zinc/37/72/20/971377220.db2.gz UNBROARKXIZCAM-UHFFFAOYSA-N 2 2 233.359 2.385 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCSC1 ZINC001257684138 971490700 /nfs/dbraw/zinc/49/07/00/971490700.db2.gz RSVNTHDKRPXSMA-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCSC1 ZINC001257684138 971490707 /nfs/dbraw/zinc/49/07/07/971490707.db2.gz RSVNTHDKRPXSMA-GFCCVEGCSA-N 2 2 239.388 2.101 20 0 BEADLP CC[C@H](C)OCC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC001172322857 974534552 /nfs/dbraw/zinc/53/45/52/974534552.db2.gz ZCQVBXCFKATITO-UPJWGTAASA-N 2 2 230.396 2.120 20 0 BEADLP c1cn(C2CC[NH+]([C@H]3CCCOCC3)CC2)c[nH+]1 ZINC001170831044 971951431 /nfs/dbraw/zinc/95/14/31/971951431.db2.gz KTROLNYYTLQRMB-ZDUSSCGKSA-N 2 2 249.358 2.089 20 0 BEADLP CC[C@]([NH3+])(CO)Nc1ccc2c(C)cc[nH+]c2c1 ZINC001170864078 971999415 /nfs/dbraw/zinc/99/94/15/971999415.db2.gz RBYSBZRNCDDSGQ-CQSZACIVSA-N 2 2 245.326 2.012 20 0 BEADLP C[C@@H]([NH3+])CCNc1cc(-c2ccncc2)cc[nH+]1 ZINC001170889038 972043593 /nfs/dbraw/zinc/04/35/93/972043593.db2.gz HYFGFVHLGXHDLY-LLVKDONJSA-N 2 2 242.326 2.293 20 0 BEADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246085109 972139507 /nfs/dbraw/zinc/13/95/07/972139507.db2.gz GQYQAHCRRYXEKO-RVMXOQNASA-N 2 2 230.371 2.491 20 0 BEADLP CCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246095194 972149113 /nfs/dbraw/zinc/14/91/13/972149113.db2.gz ZVKFYWBOBTUIHT-UONOGXRCSA-N 2 2 242.407 2.313 20 0 BEADLP CC1(C)CCC[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)C1 ZINC001246114284 972180769 /nfs/dbraw/zinc/18/07/69/972180769.db2.gz VHXUDCFDPABLEQ-WOPDTQHZSA-N 2 2 228.355 2.245 20 0 BEADLP Cc1cc(F)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246236398 972242467 /nfs/dbraw/zinc/24/24/67/972242467.db2.gz RSJVZDIQVNCAMC-AWEZNQCLSA-N 2 2 236.334 2.366 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C[NH2+]1 ZINC001246248539 972248349 /nfs/dbraw/zinc/24/83/49/972248349.db2.gz YNOYVXDSTGRKTR-WCQYABFASA-N 2 2 243.354 2.398 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc(F)ccc12 ZINC000705546648 957324441 /nfs/dbraw/zinc/32/44/41/957324441.db2.gz OAKFPFFBQJYWIB-GFCCVEGCSA-N 2 2 247.317 2.230 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1c[nH]c2cc(F)ccc12 ZINC000705546648 957324453 /nfs/dbraw/zinc/32/44/53/957324453.db2.gz OAKFPFFBQJYWIB-GFCCVEGCSA-N 2 2 247.317 2.230 20 0 BEADLP Cc1ncccc1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC001246444732 972317907 /nfs/dbraw/zinc/31/79/07/972317907.db2.gz KXVAZUBWOOFJNI-ZFWWWQNUSA-N 2 2 245.370 2.183 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cnccc32)C[NH2+]1 ZINC001246461107 972332384 /nfs/dbraw/zinc/33/23/84/972332384.db2.gz CMUXXVNGKSIJRN-ZLDLUXBVSA-N 2 2 245.370 2.189 20 0 BEADLP Cc1cccc(OCC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399226116 958572906 /nfs/dbraw/zinc/57/29/06/958572906.db2.gz NBJXGHVBJFJNMS-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246507218 972366464 /nfs/dbraw/zinc/36/64/64/972366464.db2.gz LOZKCAUBECOOKD-BXUZGUMPSA-N 2 2 218.344 2.465 20 0 BEADLP Cc1[nH]c(C[N@@H+]2CC3CCC2CC3)c(C)[nH+]1 ZINC000724775116 959441738 /nfs/dbraw/zinc/44/17/38/959441738.db2.gz VQRHGGBQMUQQMG-UHFFFAOYSA-N 2 2 219.332 2.401 20 0 BEADLP Cc1[nH]c(C[N@H+]2CC3CCC2CC3)c(C)[nH+]1 ZINC000724775116 959441748 /nfs/dbraw/zinc/44/17/48/959441748.db2.gz VQRHGGBQMUQQMG-UHFFFAOYSA-N 2 2 219.332 2.401 20 0 BEADLP Cc1cccc(C)c1[N@@H+]1C=CC(C[NH3+])=CC1=N ZINC001167691859 959818634 /nfs/dbraw/zinc/81/86/34/959818634.db2.gz AVAJCBTXGREOHZ-UHFFFAOYSA-N 2 2 227.311 2.032 20 0 BEADLP Cc1cccc(C)c1[N@H+]1C=CC(C[NH3+])=CC1=N ZINC001167691859 959818635 /nfs/dbraw/zinc/81/86/35/959818635.db2.gz AVAJCBTXGREOHZ-UHFFFAOYSA-N 2 2 227.311 2.032 20 0 BEADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCCO1 ZINC001140802197 959886674 /nfs/dbraw/zinc/88/66/74/959886674.db2.gz QLFAYURNWRAKOX-LLVKDONJSA-N 2 2 245.326 2.174 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCCO1 ZINC001140802197 959886684 /nfs/dbraw/zinc/88/66/84/959886684.db2.gz QLFAYURNWRAKOX-LLVKDONJSA-N 2 2 245.326 2.174 20 0 BEADLP C[NH2+]CCNc1cccc(N2CCCC[C@H]2C)[nH+]1 ZINC001167723383 960224710 /nfs/dbraw/zinc/22/47/10/960224710.db2.gz RMBBZQXLTXIADZ-GFCCVEGCSA-N 2 2 248.374 2.092 20 0 BEADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1(Cl)CC1 ZINC000695656292 960329354 /nfs/dbraw/zinc/32/93/54/960329354.db2.gz PMOCQGAAFZENGV-NSHDSACASA-N 2 2 241.766 2.413 20 0 BEADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000709280337 960468291 /nfs/dbraw/zinc/46/82/91/960468291.db2.gz FBRVLRDNKNPCJE-LSJOCFKGSA-N 2 2 239.388 2.243 20 0 BEADLP COC[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802131 960586943 /nfs/dbraw/zinc/58/69/43/960586943.db2.gz OCNJMGWQNDBUGQ-LLVKDONJSA-N 2 2 245.326 2.031 20 0 BEADLP COC[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802131 960586947 /nfs/dbraw/zinc/58/69/47/960586947.db2.gz OCNJMGWQNDBUGQ-LLVKDONJSA-N 2 2 245.326 2.031 20 0 BEADLP FC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802121 960590075 /nfs/dbraw/zinc/59/00/75/960590075.db2.gz NUQCJUBURJTCEY-UHFFFAOYSA-N 2 2 233.290 2.497 20 0 BEADLP C[N@H+](CCF)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141245318 961020439 /nfs/dbraw/zinc/02/04/39/961020439.db2.gz IVWGXVVRKWHPRM-UHFFFAOYSA-N 2 2 233.290 2.274 20 0 BEADLP C[N@@H+](CCF)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141245318 961020468 /nfs/dbraw/zinc/02/04/68/961020468.db2.gz IVWGXVVRKWHPRM-UHFFFAOYSA-N 2 2 233.290 2.274 20 0 BEADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC=[NH2+])nc1 ZINC001167865778 961346188 /nfs/dbraw/zinc/34/61/88/961346188.db2.gz ZBTHCZZYXUZMLT-NSHDSACASA-N 2 2 232.331 2.475 20 0 BEADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC=[NH2+])nc1 ZINC001167865778 961346226 /nfs/dbraw/zinc/34/62/26/961346226.db2.gz ZBTHCZZYXUZMLT-NSHDSACASA-N 2 2 232.331 2.475 20 0 BEADLP Cc1nc(NCC[C@H]2CCC[NH2+]2)cc(C(C)C)[nH+]1 ZINC000709783510 961575443 /nfs/dbraw/zinc/57/54/43/961575443.db2.gz DKDLLKKWLSBFOV-GFCCVEGCSA-N 2 2 248.374 2.462 20 0 BEADLP Cc1nc(N2CCC[C@H]([NH3+])[C@H]2C)cc(C(C)C)[nH+]1 ZINC000709843891 961711343 /nfs/dbraw/zinc/71/13/43/961711343.db2.gz XKGFVERTKKYOOJ-PWSUYJOCSA-N 2 2 248.374 2.224 20 0 BEADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167904698 961722083 /nfs/dbraw/zinc/72/20/83/961722083.db2.gz KJXTYYKOHMIUFO-APIJFGDWSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167904702 961724958 /nfs/dbraw/zinc/72/49/58/961724958.db2.gz KJXTYYKOHMIUFO-XQLPTFJDSA-N 2 2 236.403 2.495 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(C2CCC2)CC1 ZINC000692926084 961744224 /nfs/dbraw/zinc/74/42/24/961744224.db2.gz ZLKHPUVMIXQYCG-LBPRGKRZSA-N 2 2 246.345 2.481 20 0 BEADLP CC(C)[NH+]1CC(Nc2ccc3c([nH+]2)CCCC3)C1 ZINC000712382832 962878722 /nfs/dbraw/zinc/87/87/22/962878722.db2.gz STEFFTHGNPJQSA-UHFFFAOYSA-N 2 2 245.370 2.465 20 0 BEADLP Cc1c(F)cc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001154987911 962932478 /nfs/dbraw/zinc/93/24/78/962932478.db2.gz YUDWURUCXCZYBN-VHSXEESVSA-N 2 2 223.295 2.211 20 0 BEADLP Cc1c(F)cc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001154987910 962934884 /nfs/dbraw/zinc/93/48/84/962934884.db2.gz YUDWURUCXCZYBN-UWVGGRQHSA-N 2 2 223.295 2.211 20 0 BEADLP Cc1cccnc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713167537 963098939 /nfs/dbraw/zinc/09/89/39/963098939.db2.gz JEZZZZIRZZOZDU-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1cccnc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713167537 963098944 /nfs/dbraw/zinc/09/89/44/963098944.db2.gz JEZZZZIRZZOZDU-UHFFFAOYSA-N 2 2 245.370 2.108 20 0 BEADLP Cc1ccc(N[C@H](C)C[NH+](C)C)[nH+]c1C ZINC001155917564 963199328 /nfs/dbraw/zinc/19/93/28/963199328.db2.gz YCTKEYLNQZCZLH-SNVBAGLBSA-N 2 2 207.321 2.060 20 0 BEADLP Cc1c(F)cc[nH+]c1NC1(C)CC[NH2+]CC1 ZINC001157401962 963597027 /nfs/dbraw/zinc/59/70/27/963597027.db2.gz ZLBISGVFUUBOAF-UHFFFAOYSA-N 2 2 223.295 2.083 20 0 BEADLP CCC1(Nc2cc(C)[nH+]c(C(C)C)n2)C[NH2+]C1 ZINC001157784912 963725219 /nfs/dbraw/zinc/72/52/19/963725219.db2.gz PJPJCEYMSUGAOD-UHFFFAOYSA-N 2 2 234.347 2.072 20 0 BEADLP C[C@@H]1C[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CCO1 ZINC001168135130 963827333 /nfs/dbraw/zinc/82/73/33/963827333.db2.gz FGAIMTMPGVTPBC-JHJVBQTASA-N 2 2 249.358 2.090 20 0 BEADLP C[C@@H]1C[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC001168139443 963842550 /nfs/dbraw/zinc/84/25/50/963842550.db2.gz SRNKHBQTGQMFCL-OCCSQVGLSA-N 2 2 249.358 2.088 20 0 BEADLP CCCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088178 963897231 /nfs/dbraw/zinc/89/72/31/963897231.db2.gz RFWQLIZCEFEJPY-RYUDHWBXSA-N 2 2 200.370 2.495 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+]C1(C2CCC2)CC1 ZINC000697402019 963904209 /nfs/dbraw/zinc/90/42/09/963904209.db2.gz IWUYJXXUUVNPFX-UHFFFAOYSA-N 2 2 208.349 2.005 20 0 BEADLP c1cc(C2CC2)[nH+]c(N2CC3(C2)CCC[NH2+]C3)c1 ZINC001159025467 963976286 /nfs/dbraw/zinc/97/62/86/963976286.db2.gz VSSJHNUEKYOSQR-UHFFFAOYSA-N 2 2 243.354 2.149 20 0 BEADLP COc1cc(NC2=CCC[NH2+]CC2)cc(C)[nH+]1 ZINC001159288771 964051257 /nfs/dbraw/zinc/05/12/57/964051257.db2.gz ZHFVCUWJRCYUQZ-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP COc1cc(NC=C2CC[NH2+]CC2)c(C)c[nH+]1 ZINC001159416169 964078165 /nfs/dbraw/zinc/07/81/65/964078165.db2.gz LWCWQEOHOXDABB-UHFFFAOYSA-N 2 2 233.315 2.078 20 0 BEADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000721246924 964088383 /nfs/dbraw/zinc/08/83/83/964088383.db2.gz UEZBXTJJRGDKKJ-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP COc1ccc2ccc(NCC[C@@H](C)[NH3+])[nH+]c2c1 ZINC001159773086 964186261 /nfs/dbraw/zinc/18/62/61/964186261.db2.gz VOVUJTLPXLFXTI-SNVBAGLBSA-N 2 2 245.326 2.393 20 0 BEADLP Cc1cc(NC/C=C/C[NH3+])nc(C(C)(C)C)[nH+]1 ZINC001160983104 964470387 /nfs/dbraw/zinc/47/03/87/964470387.db2.gz YVXDOZDREJQLBT-AATRIKPKSA-N 2 2 234.347 2.009 20 0 BEADLP c1cn(CCCNc2cccn3c[nH+]cc23)c[nH+]1 ZINC001161688062 964687383 /nfs/dbraw/zinc/68/73/83/964687383.db2.gz IATXNQXKBHSZLQ-UHFFFAOYSA-N 2 2 241.298 2.033 20 0 BEADLP Cc1nc(N[C@H]2C[C@@](C)([NH3+])C2)cc(C(C)C)[nH+]1 ZINC001162325053 964932253 /nfs/dbraw/zinc/93/22/53/964932253.db2.gz NUMKGUYOLJXWSO-GSJFWJNXSA-N 2 2 234.347 2.200 20 0 BEADLP Cc1nc(N[C@]2(C)CCC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC001162339152 964937180 /nfs/dbraw/zinc/93/71/80/964937180.db2.gz ICIRYNDEVWMAEL-CQSZACIVSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1nc(N[C@]2(C)CCC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC001162339152 964937184 /nfs/dbraw/zinc/93/71/84/964937184.db2.gz ICIRYNDEVWMAEL-CQSZACIVSA-N 2 2 248.374 2.298 20 0 BEADLP Cc1cc[nH+]cc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162457385 964984393 /nfs/dbraw/zinc/98/43/93/964984393.db2.gz OKFMZSDRVVXUCK-CHWSQXEVSA-N 2 2 233.359 2.438 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250992772 965191056 /nfs/dbraw/zinc/19/10/56/965191056.db2.gz PLGSIMVYMBZANR-KGLIPLIRSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250992772 965191070 /nfs/dbraw/zinc/19/10/70/965191070.db2.gz PLGSIMVYMBZANR-KGLIPLIRSA-N 2 2 245.370 2.106 20 0 BEADLP CC(C)Oc1cc[nH+]c(NCC2([NH3+])CCC2)c1 ZINC001163326713 965335751 /nfs/dbraw/zinc/33/57/51/965335751.db2.gz HTMDQXCETUEGNL-UHFFFAOYSA-N 2 2 235.331 2.162 20 0 BEADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCCCC3)C[C@H]21 ZINC001257461550 1169867918 /nfs/dbraw/zinc/86/79/18/1169867918.db2.gz VDNIWBMEYLLABW-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCCC3)C[C@H]21 ZINC001257461550 1169867934 /nfs/dbraw/zinc/86/79/34/1169867934.db2.gz VDNIWBMEYLLABW-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCCC3)C[C@H]21 ZINC001257461550 1169867950 /nfs/dbraw/zinc/86/79/50/1169867950.db2.gz VDNIWBMEYLLABW-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCCC3)C[C@H]21 ZINC001257461550 1169867965 /nfs/dbraw/zinc/86/79/65/1169867965.db2.gz VDNIWBMEYLLABW-TZMCWYRMSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1c[nH+]cc(N[C@H]2C[NH+]3CCC2CC3)c1C ZINC001163393245 965392938 /nfs/dbraw/zinc/39/29/38/965392938.db2.gz SADYNCAZIMRQLH-AWEZNQCLSA-N 2 2 231.343 2.205 20 0 BEADLP Cc1ccc(C)c(N[C@H](C)C[NH+](C)C)[nH+]1 ZINC001163772102 965579290 /nfs/dbraw/zinc/57/92/90/965579290.db2.gz JCGFGDUSDOHZSW-LLVKDONJSA-N 2 2 207.321 2.060 20 0 BEADLP Cc1cc(N[C@@H](C)C[NH+](C)C)c[nH+]c1C ZINC001163777472 965581335 /nfs/dbraw/zinc/58/13/35/965581335.db2.gz WGOPKHVYTUEHFC-JTQLQIEISA-N 2 2 207.321 2.060 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC001205083676 965609912 /nfs/dbraw/zinc/60/99/12/965609912.db2.gz YEQQFRMAZLAAPP-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1cc(C)c(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])cn1 ZINC001205083676 965609917 /nfs/dbraw/zinc/60/99/17/965609917.db2.gz YEQQFRMAZLAAPP-JSGCOSHPSA-N 2 2 233.359 2.010 20 0 BEADLP Cc1[nH+]ccn1CCNc1c(C)cc[nH+]c1C ZINC001163923051 965637752 /nfs/dbraw/zinc/63/77/52/965637752.db2.gz DPPAUFFBNSNBMW-UHFFFAOYSA-N 2 2 230.315 2.315 20 0 BEADLP Cc1cc2cc(N(CCC[NH3+])C(C)C)[nH+]cc2[nH]1 ZINC001164121856 965742866 /nfs/dbraw/zinc/74/28/66/965742866.db2.gz ZTGDVAHGGWNVNG-UHFFFAOYSA-N 2 2 246.358 2.435 20 0 BEADLP CC(C)N(CCC[NH3+])c1cc2cc[nH]c2c[nH+]1 ZINC001164116820 965743005 /nfs/dbraw/zinc/74/30/05/965743005.db2.gz WKZGMKLVIDBVDY-UHFFFAOYSA-N 2 2 232.331 2.127 20 0 BEADLP Cc1c(F)cc[nH+]c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165238765 966002671 /nfs/dbraw/zinc/00/26/71/966002671.db2.gz HFOMVQGLDPYGMA-AWEZNQCLSA-N 2 2 249.333 2.109 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(C)c1 ZINC001235166549 966021238 /nfs/dbraw/zinc/02/12/38/966021238.db2.gz SZDXCTUMLMTYDS-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(C)c1 ZINC001235166549 966021251 /nfs/dbraw/zinc/02/12/51/966021251.db2.gz SZDXCTUMLMTYDS-LSDHHAIUSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)c2c1 ZINC001236025281 966242852 /nfs/dbraw/zinc/24/28/52/966242852.db2.gz VYFZOEBUEBMMMD-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4C[C@]4([NH3+])C3)c2c1 ZINC001236025281 966242868 /nfs/dbraw/zinc/24/28/68/966242868.db2.gz VYFZOEBUEBMMMD-WFASDCNBSA-N 2 2 241.338 2.009 20 0 BEADLP CC(C)Oc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206711694 966253809 /nfs/dbraw/zinc/25/38/09/966253809.db2.gz NEOUXZRKKGEYKB-UHFFFAOYSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1C ZINC001236168420 966283192 /nfs/dbraw/zinc/28/31/92/966283192.db2.gz JACVQAJWWYKJQI-ZDUSSCGKSA-N 2 2 248.370 2.153 20 0 BEADLP COc1cc(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1C ZINC001236168420 966283208 /nfs/dbraw/zinc/28/32/08/966283208.db2.gz JACVQAJWWYKJQI-ZDUSSCGKSA-N 2 2 248.370 2.153 20 0 BEADLP CCCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236170911 966289513 /nfs/dbraw/zinc/28/95/13/966289513.db2.gz MLRQZSXKMJXJPF-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP CCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236170911 966289526 /nfs/dbraw/zinc/28/95/26/966289526.db2.gz MLRQZSXKMJXJPF-CQSZACIVSA-N 2 2 218.344 2.172 20 0 BEADLP Cc1cc(N2CCC([NH3+])CC2)nc(C(C)(C)C)[nH+]1 ZINC001166665552 966355936 /nfs/dbraw/zinc/35/59/36/966355936.db2.gz CFSNNJHKCJDFMI-UHFFFAOYSA-N 2 2 248.374 2.010 20 0 BEADLP CCCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236330053 966368132 /nfs/dbraw/zinc/36/81/32/966368132.db2.gz SZJLGPLENNPKJG-CQSZACIVSA-N 2 2 242.407 2.267 20 0 BEADLP CCCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236330053 966368144 /nfs/dbraw/zinc/36/81/44/966368144.db2.gz SZJLGPLENNPKJG-CQSZACIVSA-N 2 2 242.407 2.267 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2cc[nH]c21 ZINC001236883802 966603661 /nfs/dbraw/zinc/60/36/61/966603661.db2.gz LUTPTLMFRSKWJI-NSHDSACASA-N 2 2 249.333 2.476 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2cc[nH]c21 ZINC001236883802 966603665 /nfs/dbraw/zinc/60/36/65/966603665.db2.gz LUTPTLMFRSKWJI-NSHDSACASA-N 2 2 249.333 2.476 20 0 BEADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2C1 ZINC001203918038 966820941 /nfs/dbraw/zinc/82/09/41/966820941.db2.gz NCJYKDPXVCVQPP-ZIAGYGMSSA-N 2 2 248.345 2.209 20 0 BEADLP CCC1(Nc2cc[nH+]c(OCC(C)C)c2)C[NH2+]C1 ZINC001168586537 966942524 /nfs/dbraw/zinc/94/25/24/966942524.db2.gz JTQZBXWXLWLRNH-UHFFFAOYSA-N 2 2 249.358 2.280 20 0 BEADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)o1 ZINC001204393978 966990415 /nfs/dbraw/zinc/99/04/15/966990415.db2.gz GIZFZGSZSBYLMC-CHWSQXEVSA-N 2 2 248.370 2.226 20 0 BEADLP Cc1[nH+]c2ccccn2c1Nc1ccc[nH+]c1N ZINC001212393893 967014609 /nfs/dbraw/zinc/01/46/09/967014609.db2.gz QPFPJUMGZZYQEG-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)o3)C[C@@H]2C1 ZINC001204540812 967038535 /nfs/dbraw/zinc/03/85/35/967038535.db2.gz CGKJCXLTBHUVPP-OKILXGFUSA-N 2 2 248.370 2.280 20 0 BEADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C)c(C)o3)C[C@@H]2C1 ZINC001204540812 967038544 /nfs/dbraw/zinc/03/85/44/967038544.db2.gz CGKJCXLTBHUVPP-OKILXGFUSA-N 2 2 248.370 2.280 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)c(C)o3)C[C@@H]2C1 ZINC001204540812 967038549 /nfs/dbraw/zinc/03/85/49/967038549.db2.gz CGKJCXLTBHUVPP-OKILXGFUSA-N 2 2 248.370 2.280 20 0 BEADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)c(C)o3)C[C@@H]2C1 ZINC001204540812 967038557 /nfs/dbraw/zinc/03/85/57/967038557.db2.gz CGKJCXLTBHUVPP-OKILXGFUSA-N 2 2 248.370 2.280 20 0 BEADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc(C)c(C)o3)C[C@@H]2C1 ZINC001204540811 967040175 /nfs/dbraw/zinc/04/01/75/967040175.db2.gz CGKJCXLTBHUVPP-KBPBESRZSA-N 2 2 248.370 2.280 20 0 BEADLP C[NH+](C)Cc1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001204631504 967107150 /nfs/dbraw/zinc/10/71/50/967107150.db2.gz CEGSUFOQFHJYLO-UHFFFAOYSA-N 2 2 227.311 2.392 20 0 BEADLP COc1cc[nH+]cc1NCC(C)(C)C[NH+](C)C ZINC001168767865 967164170 /nfs/dbraw/zinc/16/41/70/967164170.db2.gz KWVZHSSUNLEHIZ-UHFFFAOYSA-N 2 2 237.347 2.090 20 0 BEADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3cnccc32)C1 ZINC001204782280 967166979 /nfs/dbraw/zinc/16/69/79/967166979.db2.gz CKIIBFGNIMRDQM-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001204782280 967167001 /nfs/dbraw/zinc/16/70/01/967167001.db2.gz CKIIBFGNIMRDQM-OAHLLOKOSA-N 2 2 241.338 2.158 20 0 BEADLP CSc1ccccc1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204791148 967172658 /nfs/dbraw/zinc/17/26/58/967172658.db2.gz OTENIHOOMYFRPD-ZDUSSCGKSA-N 2 2 236.384 2.332 20 0 BEADLP CSc1ccccc1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204791148 967172665 /nfs/dbraw/zinc/17/26/65/967172665.db2.gz OTENIHOOMYFRPD-ZDUSSCGKSA-N 2 2 236.384 2.332 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1C ZINC001204904740 967222062 /nfs/dbraw/zinc/22/20/62/967222062.db2.gz YOYPXTYBFRZXJT-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1C ZINC001204904740 967222074 /nfs/dbraw/zinc/22/20/74/967222074.db2.gz YOYPXTYBFRZXJT-CQSZACIVSA-N 2 2 230.355 2.227 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1CCc1ccccc1F ZINC001205058003 967313568 /nfs/dbraw/zinc/31/35/68/967313568.db2.gz BYBJMAAIVSOSGD-AAEUAGOBSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1CCc1ccccc1F ZINC001205058003 967313572 /nfs/dbraw/zinc/31/35/72/967313572.db2.gz BYBJMAAIVSOSGD-AAEUAGOBSA-N 2 2 236.334 2.180 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cccs1 ZINC001205064483 967321725 /nfs/dbraw/zinc/32/17/25/967321725.db2.gz PZSJIUMUVAOKHN-UWVGGRQHSA-N 2 2 210.346 2.060 20 0 BEADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cccs1 ZINC001205064483 967321736 /nfs/dbraw/zinc/32/17/36/967321736.db2.gz PZSJIUMUVAOKHN-UWVGGRQHSA-N 2 2 210.346 2.060 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)CC1 ZINC001205101180 967348361 /nfs/dbraw/zinc/34/83/61/967348361.db2.gz AVMOPDLGVLBMEU-NSHDSACASA-N 2 2 239.750 2.048 20 0 BEADLP c1cn2ccc(CC[NH+]3CCCCC3)cc2[nH+]1 ZINC001250242241 967552878 /nfs/dbraw/zinc/55/28/78/967552878.db2.gz WGXNZQQTWJHHRW-UHFFFAOYSA-N 2 2 229.327 2.363 20 0 BEADLP [NH3+][C@@H]1CCC[C@H](Nc2cc3cc[nH]c3c[nH+]2)C1 ZINC001162385835 967821269 /nfs/dbraw/zinc/82/12/69/967821269.db2.gz RQWFJGZBEWWDKG-MNOVXSKESA-N 2 2 230.315 2.245 20 0 BEADLP Cn1c[nH+]c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)cc21 ZINC001162396561 967826419 /nfs/dbraw/zinc/82/64/19/967826419.db2.gz LIVVCCAYZPKUPC-WDEREUQCSA-N 2 2 244.342 2.255 20 0 BEADLP Cc1c[nH]c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1C ZINC001205829331 967842095 /nfs/dbraw/zinc/84/20/95/967842095.db2.gz OMPFRTBTVQNHQY-MFKMUULPSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1c[nH]c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1C ZINC001205829331 967842098 /nfs/dbraw/zinc/84/20/98/967842098.db2.gz OMPFRTBTVQNHQY-MFKMUULPSA-N 2 2 235.375 2.191 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cn1 ZINC001205838309 967847940 /nfs/dbraw/zinc/84/79/40/967847940.db2.gz CAEUYGPRMMWLHM-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cn1 ZINC001205838309 967847942 /nfs/dbraw/zinc/84/79/42/967847942.db2.gz CAEUYGPRMMWLHM-ABAIWWIYSA-N 2 2 247.386 2.258 20 0 BEADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001205930616 967891368 /nfs/dbraw/zinc/89/13/68/967891368.db2.gz BHDYENQIWUXGCG-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001205930616 967891369 /nfs/dbraw/zinc/89/13/69/967891369.db2.gz BHDYENQIWUXGCG-MRXNPFEDSA-N 2 2 244.382 2.489 20 0 BEADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)sc1C ZINC001206070652 968040570 /nfs/dbraw/zinc/04/05/70/968040570.db2.gz ONEYVFJZXIILSQ-BXKDBHETSA-N 2 2 224.373 2.144 20 0 BEADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)sc1C ZINC001206070652 968040581 /nfs/dbraw/zinc/04/05/81/968040581.db2.gz ONEYVFJZXIILSQ-BXKDBHETSA-N 2 2 224.373 2.144 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(F)c3cc[nH]c32)C[C@H]1[NH3+] ZINC001206075352 968044915 /nfs/dbraw/zinc/04/49/15/968044915.db2.gz HRFKGFCCLFBCPE-NOZJJQNGSA-N 2 2 247.317 2.086 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c3cc[nH]c32)C[C@H]1[NH3+] ZINC001206075352 968044930 /nfs/dbraw/zinc/04/49/30/968044930.db2.gz HRFKGFCCLFBCPE-NOZJJQNGSA-N 2 2 247.317 2.086 20 0 BEADLP CS[C@@H](C)CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334964 968237106 /nfs/dbraw/zinc/23/71/06/968237106.db2.gz BIVFUTXTSFMPHV-NWDGAFQWSA-N 2 2 248.411 2.281 20 0 BEADLP CS[C@@H](C)CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206334964 968237113 /nfs/dbraw/zinc/23/71/13/968237113.db2.gz BIVFUTXTSFMPHV-NWDGAFQWSA-N 2 2 248.411 2.281 20 0 BEADLP CC(C)CC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337937 968243691 /nfs/dbraw/zinc/24/36/91/968243691.db2.gz XAVJWUXFGMKVRF-GFCCVEGCSA-N 2 2 216.344 2.185 20 0 BEADLP CC(C)CC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337937 968243705 /nfs/dbraw/zinc/24/37/05/968243705.db2.gz XAVJWUXFGMKVRF-GFCCVEGCSA-N 2 2 216.344 2.185 20 0 BEADLP COc1cc(Nc2cc[nH+]c(N)c2)cc(C)[nH+]1 ZINC001206535774 968361761 /nfs/dbraw/zinc/36/17/61/968361761.db2.gz RRUJEISZMZGCCH-UHFFFAOYSA-N 2 2 230.271 2.119 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCCOC(C)(C)C)C1 ZINC001206578442 968394926 /nfs/dbraw/zinc/39/49/26/968394926.db2.gz WAQBQMNBYRDCFE-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCCOC(C)(C)C)C1 ZINC001206578442 968394931 /nfs/dbraw/zinc/39/49/31/968394931.db2.gz WAQBQMNBYRDCFE-CYBMUJFWSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822128248 968507468 /nfs/dbraw/zinc/50/74/68/968507468.db2.gz NUAHMNOZOHSELU-IJLUTSLNSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC1(F)F ZINC001207391355 968747548 /nfs/dbraw/zinc/74/75/48/968747548.db2.gz HTMSHVDGSSQQRM-LLVKDONJSA-N 2 2 246.345 2.305 20 0 BEADLP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC1(F)F ZINC001207391355 968747559 /nfs/dbraw/zinc/74/75/59/968747559.db2.gz HTMSHVDGSSQQRM-LLVKDONJSA-N 2 2 246.345 2.305 20 0 BEADLP Cc1cc(C)c(C=C2CC[NH2+]CC2)c[nH+]1 ZINC001240877485 968784677 /nfs/dbraw/zinc/78/46/77/968784677.db2.gz XENPMMMSHRFMMU-UHFFFAOYSA-N 2 2 202.301 2.465 20 0 BEADLP C[NH+]1CCC(C)(C[NH+]2CC(F)(C3CC3)C2)CC1 ZINC001208108685 969003206 /nfs/dbraw/zinc/00/32/06/969003206.db2.gz YRDOZMSPXGJGHZ-UHFFFAOYSA-N 2 2 240.366 2.152 20 0 BEADLP Cc1cc(N(CC[NH3+])c2cccnc2)c[nH+]c1C ZINC001168835688 969231823 /nfs/dbraw/zinc/23/18/23/969231823.db2.gz BVLKJVMNKISPGG-UHFFFAOYSA-N 2 2 242.326 2.190 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3CCC1CC3)C2 ZINC001169142637 969451138 /nfs/dbraw/zinc/45/11/38/969451138.db2.gz DYSMVBOPNLXHGR-YJIWRGBVSA-N 2 2 234.387 2.486 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3CCC1CC3)C2 ZINC001169142637 969451160 /nfs/dbraw/zinc/45/11/60/969451160.db2.gz DYSMVBOPNLXHGR-YJIWRGBVSA-N 2 2 234.387 2.486 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC3CCC1CC3)C2 ZINC001169142637 969451169 /nfs/dbraw/zinc/45/11/69/969451169.db2.gz DYSMVBOPNLXHGR-YJIWRGBVSA-N 2 2 234.387 2.486 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC3CCC1CC3)C2 ZINC001169142637 969451181 /nfs/dbraw/zinc/45/11/81/969451181.db2.gz DYSMVBOPNLXHGR-YJIWRGBVSA-N 2 2 234.387 2.486 20 0 BEADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccncc3C1)C2 ZINC001169142314 969451820 /nfs/dbraw/zinc/45/18/20/969451820.db2.gz TUBQULHGCYYCIX-FICVDOATSA-N 2 2 243.354 2.022 20 0 BEADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1Cc3ccncc3C1)C2 ZINC001169142314 969451827 /nfs/dbraw/zinc/45/18/27/969451827.db2.gz TUBQULHGCYYCIX-FICVDOATSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1Cc3ccncc3C1)C2 ZINC001169142314 969451837 /nfs/dbraw/zinc/45/18/37/969451837.db2.gz TUBQULHGCYYCIX-FICVDOATSA-N 2 2 243.354 2.022 20 0 BEADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1Cc3ccncc3C1)C2 ZINC001169142314 969451841 /nfs/dbraw/zinc/45/18/41/969451841.db2.gz TUBQULHGCYYCIX-FICVDOATSA-N 2 2 243.354 2.022 20 0 BEADLP CC(C)[N@H+](C[C@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209427595 969497287 /nfs/dbraw/zinc/49/72/87/969497287.db2.gz POUKDTVIHKBEIZ-CHWSQXEVSA-N 2 2 224.392 2.447 20 0 BEADLP CC(C)[N@@H+](C[C@H]1C[C@H]1C)C1CC[NH+](C)CC1 ZINC001209427595 969497290 /nfs/dbraw/zinc/49/72/90/969497290.db2.gz POUKDTVIHKBEIZ-CHWSQXEVSA-N 2 2 224.392 2.447 20 0 BEADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccncc1 ZINC001209447699 969520069 /nfs/dbraw/zinc/52/00/69/969520069.db2.gz CQQUUNSYTDWENC-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccncc1 ZINC001209447699 969520077 /nfs/dbraw/zinc/52/00/77/969520077.db2.gz CQQUUNSYTDWENC-UHFFFAOYSA-N 2 2 247.386 2.389 20 0 BEADLP CC[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001169264527 969521957 /nfs/dbraw/zinc/52/19/57/969521957.db2.gz GZYCSEXTVRKORC-UHFFFAOYSA-N 2 2 222.376 2.489 20 0 BEADLP CC[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001169264527 969521960 /nfs/dbraw/zinc/52/19/60/969521960.db2.gz GZYCSEXTVRKORC-UHFFFAOYSA-N 2 2 222.376 2.489 20 0 BEADLP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c[nH+]ccc1N ZINC001209728385 969580634 /nfs/dbraw/zinc/58/06/34/969580634.db2.gz SMZITWRTIXFNRX-GHMZBOCLSA-N 2 2 219.332 2.257 20 0 BEADLP C[C@]1(F)CCC[N@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209728328 969583424 /nfs/dbraw/zinc/58/34/24/969583424.db2.gz QZVXVANVODRKCG-ZDUSSCGKSA-N 2 2 237.322 2.208 20 0 BEADLP C[C@]1(F)CCC[N@@H+](Cc2c[nH+]ccc2N)CC1 ZINC001209728328 969583426 /nfs/dbraw/zinc/58/34/26/969583426.db2.gz QZVXVANVODRKCG-ZDUSSCGKSA-N 2 2 237.322 2.208 20 0 BEADLP C[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)[C@@H](C)C1 ZINC001209731570 969596551 /nfs/dbraw/zinc/59/65/51/969596551.db2.gz TXXHAGQTRZYAIT-MNOVXSKESA-N 2 2 219.332 2.115 20 0 BEADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209737362 969597580 /nfs/dbraw/zinc/59/75/80/969597580.db2.gz LBPZEWBROQGUPD-ZDUSSCGKSA-N 2 2 219.332 2.115 20 0 BEADLP CC(C)[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209737362 969597583 /nfs/dbraw/zinc/59/75/83/969597583.db2.gz LBPZEWBROQGUPD-ZDUSSCGKSA-N 2 2 219.332 2.115 20 0 BEADLP Cn1cc[nH+]c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841409 969655668 /nfs/dbraw/zinc/65/56/68/969655668.db2.gz NGNGSVLMICUROV-UHFFFAOYSA-N 2 2 213.244 2.040 20 0 BEADLP c1[nH]c2ccc(Nc3cc[nH+]cc3)cc2[nH+]1 ZINC001209841642 969655903 /nfs/dbraw/zinc/65/59/03/969655903.db2.gz ZHFWPQGTNPNJDB-UHFFFAOYSA-N 2 2 210.240 2.123 20 0 BEADLP Cc1cc(N)[nH+]cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001209962705 969725606 /nfs/dbraw/zinc/72/56/06/969725606.db2.gz YTEWFQMKLWPZTD-UHFFFAOYSA-N 2 2 243.314 2.177 20 0 BEADLP Cc1cc(N)[nH+]cc1Nc1ccn2cc[nH+]c2c1 ZINC001209965446 969728390 /nfs/dbraw/zinc/72/83/90/969728390.db2.gz CCDNQZABQJPPAZ-UHFFFAOYSA-N 2 2 239.282 2.364 20 0 BEADLP C1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833153 969795154 /nfs/dbraw/zinc/79/51/54/969795154.db2.gz VOVBEXVTIOPWJW-CYBMUJFWSA-N 2 2 208.349 2.003 20 0 BEADLP F[C@H]1CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254832549 969796900 /nfs/dbraw/zinc/79/69/00/969796900.db2.gz HCJXMHHBCRNPJA-HZSPNIEDSA-N 2 2 240.366 2.341 20 0 BEADLP C1=C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254848448 969803733 /nfs/dbraw/zinc/80/37/33/969803733.db2.gz QNVFXGOQVHMPEB-KBPBESRZSA-N 2 2 220.360 2.169 20 0 BEADLP c1ccc2c(c1)C[NH+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254851933 969805889 /nfs/dbraw/zinc/80/58/89/969805889.db2.gz DDRXLMZEMGKOFR-INIZCTEOSA-N 2 2 242.366 2.487 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCC1 ZINC001254850511 969806598 /nfs/dbraw/zinc/80/65/98/969806598.db2.gz GXWTVDCMDUJRDR-BXUZGUMPSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865068 969813248 /nfs/dbraw/zinc/81/32/48/969813248.db2.gz WKBLIHGZZROELY-TZMCWYRMSA-N 2 2 234.387 2.345 20 0 BEADLP C[C@H]1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C2(CC2)C1 ZINC001254865068 969813251 /nfs/dbraw/zinc/81/32/51/969813251.db2.gz WKBLIHGZZROELY-TZMCWYRMSA-N 2 2 234.387 2.345 20 0 BEADLP CCOc1cc[nH+]cc1Nc1cc[nH+]cc1OC ZINC001211260950 970209439 /nfs/dbraw/zinc/20/94/39/970209439.db2.gz XYWGFZAZFWZAFB-UHFFFAOYSA-N 2 2 245.282 2.049 20 0 BEADLP COc1c[nH+]ccc1-n1c[nH+]c2cccc(N)c21 ZINC001211260434 970213747 /nfs/dbraw/zinc/21/37/47/970213747.db2.gz MOAIXCLCNFQEIQ-UHFFFAOYSA-N 2 2 240.266 2.011 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001170118691 970343311 /nfs/dbraw/zinc/34/33/11/970343311.db2.gz UIBNJFRMXCTKKR-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001170118691 970343323 /nfs/dbraw/zinc/34/33/23/970343323.db2.gz UIBNJFRMXCTKKR-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124229 970368565 /nfs/dbraw/zinc/36/85/65/970368565.db2.gz FVPPQXYIYHLJOA-DGCLKSJQSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001170124229 970368574 /nfs/dbraw/zinc/36/85/74/970368574.db2.gz FVPPQXYIYHLJOA-DGCLKSJQSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001170126332 970378401 /nfs/dbraw/zinc/37/84/01/970378401.db2.gz VZAJFQRBHVDIKT-RYUDHWBXSA-N 2 2 220.316 2.239 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@H]1C(C)=O ZINC001255969187 970608694 /nfs/dbraw/zinc/60/86/94/970608694.db2.gz UZVXVHSJDBQKLN-OCCSQVGLSA-N 2 2 240.391 2.160 20 0 BEADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@H]1C(C)=O ZINC001255969187 970608701 /nfs/dbraw/zinc/60/87/01/970608701.db2.gz UZVXVHSJDBQKLN-OCCSQVGLSA-N 2 2 240.391 2.160 20 0 BEADLP CC[C@@H](C)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256075080 970641114 /nfs/dbraw/zinc/64/11/14/970641114.db2.gz CDOFMMPIINIJCT-LLVKDONJSA-N 2 2 210.365 2.344 20 0 BEADLP CC[C@@H](C)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256075080 970641119 /nfs/dbraw/zinc/64/11/19/970641119.db2.gz CDOFMMPIINIJCT-LLVKDONJSA-N 2 2 210.365 2.344 20 0 BEADLP C[NH+]1CC(CNc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001170252906 970659526 /nfs/dbraw/zinc/65/95/26/970659526.db2.gz SVSOCGPIXQRJPX-UHFFFAOYSA-N 2 2 245.301 2.347 20 0 BEADLP C[C@H]1CCC[C@H](C)[NH+]1C1CC[NH+](C)CC1 ZINC001256201637 970684065 /nfs/dbraw/zinc/68/40/65/970684065.db2.gz JMYJVYYGUAZYRB-RYUDHWBXSA-N 2 2 210.365 2.344 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)nc1 ZINC001256196833 970689138 /nfs/dbraw/zinc/68/91/38/970689138.db2.gz YSLJRNFJTIODDF-LBPRGKRZSA-N 2 2 233.359 2.135 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256207229 970711415 /nfs/dbraw/zinc/71/14/15/970711415.db2.gz DAHXUSYAADEEHS-NWDGAFQWSA-N 2 2 210.365 2.201 20 0 BEADLP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256207229 970711404 /nfs/dbraw/zinc/71/14/04/970711404.db2.gz DAHXUSYAADEEHS-NWDGAFQWSA-N 2 2 210.365 2.201 20 0 BEADLP C[NH+]1CCC([N@@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001256207167 970711797 /nfs/dbraw/zinc/71/17/97/970711797.db2.gz ARFXAQUHCVRZOM-UHFFFAOYSA-N 2 2 234.318 2.236 20 0 BEADLP C[NH+]1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001256207167 970711802 /nfs/dbraw/zinc/71/18/02/970711802.db2.gz ARFXAQUHCVRZOM-UHFFFAOYSA-N 2 2 234.318 2.236 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256211035 970718802 /nfs/dbraw/zinc/71/88/02/970718802.db2.gz QFUCFJVSAVNRHH-CYBMUJFWSA-N 2 2 210.365 2.201 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1C1CC[NH+](C)CC1 ZINC001256211035 970718822 /nfs/dbraw/zinc/71/88/22/970718822.db2.gz QFUCFJVSAVNRHH-CYBMUJFWSA-N 2 2 210.365 2.201 20 0 BEADLP Cc1cc(NCC(C)(C)[NH3+])ccc1[NH+](C)C ZINC001171193923 972850388 /nfs/dbraw/zinc/85/03/88/972850388.db2.gz HIYIBESTYKAKGZ-UHFFFAOYSA-N 2 2 221.348 2.210 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854165 973159424 /nfs/dbraw/zinc/15/94/24/973159424.db2.gz PCNHZNJFIFLZQM-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854165 973159431 /nfs/dbraw/zinc/15/94/31/973159431.db2.gz PCNHZNJFIFLZQM-OSAQELSMSA-N 2 2 248.345 2.180 20 0 BEADLP [NH3+]C/C=C/CNc1cc2ccccc2c[nH+]1 ZINC001160976869 973192921 /nfs/dbraw/zinc/19/29/21/973192921.db2.gz MASBBOVTHRXBFX-ONEGZZNKSA-N 2 2 213.284 2.162 20 0 BEADLP Cc1c[nH+]cc(NC[C@H]2CCCC[NH2+]2)c1C ZINC001171335603 973880049 /nfs/dbraw/zinc/88/00/49/973880049.db2.gz ZBWAUSVLJPSFPI-GFCCVEGCSA-N 2 2 219.332 2.252 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171402407 974007029 /nfs/dbraw/zinc/00/70/29/974007029.db2.gz RHZHOQJCGPHYRU-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1CCc2c(F)cccc2C1 ZINC001171402407 974007041 /nfs/dbraw/zinc/00/70/41/974007041.db2.gz RHZHOQJCGPHYRU-STQMWFEESA-N 2 2 248.345 2.106 20 0 BEADLP CC[NH+](CC)C[C@@H](C)Oc1cc[nH+]cc1 ZINC001225290581 974361127 /nfs/dbraw/zinc/36/11/27/974361127.db2.gz BNUDJCJHTIJHEM-LLVKDONJSA-N 2 2 208.305 2.191 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172182973 974394929 /nfs/dbraw/zinc/39/49/29/974394929.db2.gz APNFWYGJFICGQB-QWHCGFSZSA-N 2 2 248.395 2.127 20 0 BEADLP [NH3+][C@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172182973 974394934 /nfs/dbraw/zinc/39/49/34/974394934.db2.gz APNFWYGJFICGQB-QWHCGFSZSA-N 2 2 248.395 2.127 20 0 BEADLP CCCCCC[C@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001172379198 974584781 /nfs/dbraw/zinc/58/47/81/974584781.db2.gz SCBZKAXURDXNSY-ZDUSSCGKSA-N 2 2 242.407 2.443 20 0 BEADLP CCOCC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172424227 974700578 /nfs/dbraw/zinc/70/05/78/974700578.db2.gz RLNAXXFSOMEKBL-LBPRGKRZSA-N 2 2 247.342 2.239 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172384177 974729075 /nfs/dbraw/zinc/72/90/75/974729075.db2.gz FCZGMCVUFNOBDY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](CC(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172384177 974729078 /nfs/dbraw/zinc/72/90/78/974729078.db2.gz FCZGMCVUFNOBDY-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC001331836502 974831529 /nfs/dbraw/zinc/83/15/29/974831529.db2.gz WQYBQDNJVQMYJH-IUCAKERBSA-N 2 2 241.404 2.266 20 0 BEADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CC2 ZINC001172825328 974948010 /nfs/dbraw/zinc/94/80/10/974948010.db2.gz GDZOIOWSPYITKI-BBRMVZONSA-N 2 2 246.398 2.392 20 0 BEADLP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1C[NH+](C)C1)CC2 ZINC001172840883 974954784 /nfs/dbraw/zinc/95/47/84/974954784.db2.gz FBXHCRQTQNVHAM-INIZCTEOSA-N 2 2 244.382 2.004 20 0 BEADLP CCc1ccc(C[C@H](C)[NH2+]CC2C[NH+](C)C2)cc1 ZINC001173236881 975158993 /nfs/dbraw/zinc/15/89/93/975158993.db2.gz BFEZKRWATIMXAN-ZDUSSCGKSA-N 2 2 246.398 2.331 20 0 BEADLP CCSC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001173302426 975205383 /nfs/dbraw/zinc/20/53/83/975205383.db2.gz RDXAMZNTJBNJEP-NSHDSACASA-N 2 2 230.421 2.154 20 0 BEADLP CCSC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001173302426 975205390 /nfs/dbraw/zinc/20/53/90/975205390.db2.gz RDXAMZNTJBNJEP-NSHDSACASA-N 2 2 230.421 2.154 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CSCC ZINC001173290211 975258607 /nfs/dbraw/zinc/25/86/07/975258607.db2.gz CFIIEIKSRCJJAL-LBPRGKRZSA-N 2 2 232.437 2.450 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CSCC ZINC001173290211 975258613 /nfs/dbraw/zinc/25/86/13/975258613.db2.gz CFIIEIKSRCJJAL-LBPRGKRZSA-N 2 2 232.437 2.450 20 0 BEADLP CSc1cc(Nc2cc[nH+]cc2)cc[nH+]1 ZINC001173882599 975933827 /nfs/dbraw/zinc/93/38/27/975933827.db2.gz RBIQNIHHQDUKQY-UHFFFAOYSA-N 2 2 217.297 2.364 20 0 BEADLP Cn1c[nH+]c2cc(Nc3cc[nH+]cc3)ccc21 ZINC001173883291 975958323 /nfs/dbraw/zinc/95/83/23/975958323.db2.gz GGTWCVSLEDHPQW-UHFFFAOYSA-N 2 2 224.267 2.134 20 0 BEADLP Cc1[nH+]cn(C)c1Nc1cc[nH+]c2ccccc12 ZINC001174038369 976247236 /nfs/dbraw/zinc/24/72/36/976247236.db2.gz SUHYWBIAGGTAGS-UHFFFAOYSA-N 2 2 238.294 2.442 20 0 BEADLP Cc1c[nH+]ccc1Nc1ccn2cc[nH+]c2c1 ZINC001174537229 976820266 /nfs/dbraw/zinc/82/02/66/976820266.db2.gz CTKVXBFPLPIFHA-UHFFFAOYSA-N 2 2 224.267 2.203 20 0 BEADLP CCOc1cc[nH+]cc1Nc1cc[nH+]cc1C ZINC001174536900 976821122 /nfs/dbraw/zinc/82/11/22/976821122.db2.gz NPKSOCJCXJIUIV-UHFFFAOYSA-N 2 2 229.283 2.349 20 0 BEADLP Cc1c[nH+]c(Nc2cc(C)[nH+]c(C)c2)c(N)c1 ZINC001176054554 977902157 /nfs/dbraw/zinc/90/21/57/977902157.db2.gz FTERXNFXQNICKU-UHFFFAOYSA-N 2 2 228.299 2.150 20 0 BEADLP COc1cc[nH+]cc1Nc1c[nH+]c2ccccn12 ZINC001176118971 977950394 /nfs/dbraw/zinc/95/03/94/977950394.db2.gz RMSMHMAHHXFYKE-UHFFFAOYSA-N 2 2 240.266 2.482 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+]CCc1ccc(F)cc1 ZINC001337412782 978327914 /nfs/dbraw/zinc/32/79/14/978327914.db2.gz GUTPNLVCMHFTHM-UHFFFAOYSA-N 2 2 238.350 2.298 20 0 BEADLP Cc1cccnc1[C@H]([NH2+]C[C@@H](C)[NH3+])C(C)(C)C ZINC001337823728 978514768 /nfs/dbraw/zinc/51/47/68/978514768.db2.gz DRUDECBLJUCPHO-YPMHNXCESA-N 2 2 235.375 2.414 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CCO1 ZINC000070359886 978832905 /nfs/dbraw/zinc/83/29/05/978832905.db2.gz IQDXUIRAEAWAPM-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP Fc1ccc(CCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038437 978958144 /nfs/dbraw/zinc/95/81/44/978958144.db2.gz MVRBXRWPRXLMJX-LSDHHAIUSA-N 2 2 248.345 2.195 20 0 BEADLP Fc1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038437 978958156 /nfs/dbraw/zinc/95/81/56/978958156.db2.gz MVRBXRWPRXLMJX-LSDHHAIUSA-N 2 2 248.345 2.195 20 0 BEADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235073805 978970188 /nfs/dbraw/zinc/97/01/88/978970188.db2.gz XJVCFOKLRGDLFQ-BPLDGKMQSA-N 2 2 230.355 2.226 20 0 BEADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC001235073805 978970193 /nfs/dbraw/zinc/97/01/93/978970193.db2.gz XJVCFOKLRGDLFQ-BPLDGKMQSA-N 2 2 230.355 2.226 20 0 BEADLP CC1=CC[C@H](CC[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C1(C)C ZINC001235147389 978981900 /nfs/dbraw/zinc/98/19/00/978981900.db2.gz SEHHBNHCNWZTSL-IPYPFGDCSA-N 2 2 234.387 2.402 20 0 BEADLP CC1=CC[C@H](CC[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C1(C)C ZINC001235147389 978981906 /nfs/dbraw/zinc/98/19/06/978981906.db2.gz SEHHBNHCNWZTSL-IPYPFGDCSA-N 2 2 234.387 2.402 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCc1ccccc1F)C2 ZINC001235166199 978986837 /nfs/dbraw/zinc/98/68/37/978986837.db2.gz PVJJLFYEJRNTGM-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCc1ccccc1F)C2 ZINC001235166199 978986843 /nfs/dbraw/zinc/98/68/43/978986843.db2.gz PVJJLFYEJRNTGM-DZGCQCFKSA-N 2 2 248.345 2.181 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235172119 978990911 /nfs/dbraw/zinc/99/09/11/978990911.db2.gz KIPPZIZFERIGMR-GOEBONIOSA-N 2 2 242.366 2.098 20 0 BEADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235172119 978990918 /nfs/dbraw/zinc/99/09/18/978990918.db2.gz KIPPZIZFERIGMR-GOEBONIOSA-N 2 2 242.366 2.098 20 0 BEADLP C(CC1CCCC1)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187553 978991528 /nfs/dbraw/zinc/99/15/28/978991528.db2.gz BZBGPHFVTAJRHD-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP C(CC1CCCC1)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187553 978991532 /nfs/dbraw/zinc/99/15/32/978991532.db2.gz BZBGPHFVTAJRHD-UONOGXRCSA-N 2 2 222.376 2.251 20 0 BEADLP Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 ZINC001235689911 979116635 /nfs/dbraw/zinc/11/66/35/979116635.db2.gz DQRMDDFUXBUBDF-UONOGXRCSA-N 2 2 248.370 2.185 20 0 BEADLP Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 ZINC001235689911 979116641 /nfs/dbraw/zinc/11/66/41/979116641.db2.gz DQRMDDFUXBUBDF-UONOGXRCSA-N 2 2 248.370 2.185 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CSC2)CC1 ZINC001181612772 979205638 /nfs/dbraw/zinc/20/56/38/979205638.db2.gz YSAJZZHXFSSJCZ-NSHDSACASA-N 2 2 242.432 2.202 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976394 979240210 /nfs/dbraw/zinc/24/02/10/979240210.db2.gz BNMQEIFPJNJUNB-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976394 979240219 /nfs/dbraw/zinc/24/02/19/979240219.db2.gz BNMQEIFPJNJUNB-LSDHHAIUSA-N 2 2 230.355 2.172 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982923 979267285 /nfs/dbraw/zinc/26/72/85/979267285.db2.gz XTWXVUFLGAELAR-UKRRQHHQSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC001235982923 979267290 /nfs/dbraw/zinc/26/72/90/979267290.db2.gz XTWXVUFLGAELAR-UKRRQHHQSA-N 2 2 241.338 2.091 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC001235988599 979273052 /nfs/dbraw/zinc/27/30/52/979273052.db2.gz HQCVKAWLAMVMEE-DOMZBBRYSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC001235988599 979273065 /nfs/dbraw/zinc/27/30/65/979273065.db2.gz HQCVKAWLAMVMEE-DOMZBBRYSA-N 2 2 242.322 2.356 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235991090 979281444 /nfs/dbraw/zinc/28/14/44/979281444.db2.gz OAGGDQMQWRPWKD-WFASDCNBSA-N 2 2 248.345 2.366 20 0 BEADLP Cc1cc(F)cc(C)c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235991090 979281464 /nfs/dbraw/zinc/28/14/64/979281464.db2.gz OAGGDQMQWRPWKD-WFASDCNBSA-N 2 2 248.345 2.366 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc3occc31)C2 ZINC001235994161 979283324 /nfs/dbraw/zinc/28/33/24/979283324.db2.gz SLNOHQYPMOEJLE-IUODEOHRSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3occc31)C2 ZINC001235994161 979283338 /nfs/dbraw/zinc/28/33/38/979283338.db2.gz SLNOHQYPMOEJLE-IUODEOHRSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc3occc3c1)C2 ZINC001235997899 979292451 /nfs/dbraw/zinc/29/24/51/979292451.db2.gz XBHNZTSOJYQFOR-ZFWWWQNUSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC001235997899 979292463 /nfs/dbraw/zinc/29/24/63/979292463.db2.gz XBHNZTSOJYQFOR-ZFWWWQNUSA-N 2 2 242.322 2.356 20 0 BEADLP [NH3+]CC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001236007898 979300016 /nfs/dbraw/zinc/30/00/16/979300016.db2.gz FBXAYPKAFWVPLW-ZDUSSCGKSA-N 2 2 236.334 2.039 20 0 BEADLP [NH3+]CC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001236007898 979300025 /nfs/dbraw/zinc/30/00/25/979300025.db2.gz FBXAYPKAFWVPLW-ZDUSSCGKSA-N 2 2 236.334 2.039 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(C)c1 ZINC001236017225 979308162 /nfs/dbraw/zinc/30/81/62/979308162.db2.gz QWUUAZZJNVMOMC-ZFWWWQNUSA-N 2 2 230.355 2.145 20 0 BEADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c(C)c1 ZINC001236017225 979308170 /nfs/dbraw/zinc/30/81/70/979308170.db2.gz QWUUAZZJNVMOMC-ZFWWWQNUSA-N 2 2 230.355 2.145 20 0 BEADLP CNc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236209356 979449755 /nfs/dbraw/zinc/44/97/55/979449755.db2.gz KWOWAVQEHWYIIX-OAHLLOKOSA-N 2 2 247.386 2.302 20 0 BEADLP CNc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236209356 979449762 /nfs/dbraw/zinc/44/97/62/979449762.db2.gz KWOWAVQEHWYIIX-OAHLLOKOSA-N 2 2 247.386 2.302 20 0 BEADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1C ZINC001236243005 979461443 /nfs/dbraw/zinc/46/14/43/979461443.db2.gz UDPSBNZZWXWDDV-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP COc1cc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])cc1C ZINC001236243005 979461449 /nfs/dbraw/zinc/46/14/49/979461449.db2.gz UDPSBNZZWXWDDV-CQSZACIVSA-N 2 2 248.370 2.235 20 0 BEADLP CCOc1ccc(C)c(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236253692 979469779 /nfs/dbraw/zinc/46/97/79/979469779.db2.gz YQPZVQRNKLKPDG-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP CCOc1ccc(C)c(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001236253692 979469783 /nfs/dbraw/zinc/46/97/83/979469783.db2.gz YQPZVQRNKLKPDG-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP C[C@H]([NH3+])c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236317480 979534289 /nfs/dbraw/zinc/53/42/89/979534289.db2.gz RHLAKWZHXVJAEN-VIFPVBQESA-N 2 2 213.284 2.351 20 0 BEADLP CC(C)[N@H+](Cc1ccccc1N)[C@@H]1CCC[NH2+]C1 ZINC001236470735 979604460 /nfs/dbraw/zinc/60/44/60/979604460.db2.gz NTOGHRBTCXMXJS-CQSZACIVSA-N 2 2 247.386 2.231 20 0 BEADLP CC(C)[N@@H+](Cc1ccccc1N)[C@@H]1CCC[NH2+]C1 ZINC001236470735 979604467 /nfs/dbraw/zinc/60/44/67/979604467.db2.gz NTOGHRBTCXMXJS-CQSZACIVSA-N 2 2 247.386 2.231 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC(C)(C)F)C1 ZINC001182796660 979640821 /nfs/dbraw/zinc/64/08/21/979640821.db2.gz XVBXHWFZYYDPPB-NSHDSACASA-N 2 2 216.344 2.199 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCC(C)(C)F)C1 ZINC001182796660 979640826 /nfs/dbraw/zinc/64/08/26/979640826.db2.gz XVBXHWFZYYDPPB-NSHDSACASA-N 2 2 216.344 2.199 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)[nH]c2ncccc12 ZINC001236865324 979769615 /nfs/dbraw/zinc/76/96/15/979769615.db2.gz ITHKYEUVSZDCPW-NSHDSACASA-N 2 2 246.358 2.040 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)[nH]c2ncccc12 ZINC001236865324 979769618 /nfs/dbraw/zinc/76/96/18/979769618.db2.gz ITHKYEUVSZDCPW-NSHDSACASA-N 2 2 246.358 2.040 20 0 BEADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC001236868266 979772134 /nfs/dbraw/zinc/77/21/34/979772134.db2.gz JPNRUOVKKYPSQF-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC001236868266 979772145 /nfs/dbraw/zinc/77/21/45/979772145.db2.gz JPNRUOVKKYPSQF-ZDUSSCGKSA-N 2 2 236.359 2.173 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(F)cc2cc[nH]c21 ZINC001236911580 979793065 /nfs/dbraw/zinc/79/30/65/979793065.db2.gz FFTPDZVREBBGAW-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(F)cc2cc[nH]c21 ZINC001236911580 979793077 /nfs/dbraw/zinc/79/30/77/979793077.db2.gz FFTPDZVREBBGAW-VIFPVBQESA-N 2 2 235.306 2.086 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2ncsc2c1 ZINC001236904981 979793427 /nfs/dbraw/zinc/79/34/27/979793427.db2.gz XDZLPNWDBBXCCR-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ncsc2c1 ZINC001236904981 979793444 /nfs/dbraw/zinc/79/34/44/979793444.db2.gz XDZLPNWDBBXCCR-VIFPVBQESA-N 2 2 235.356 2.075 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2ccoc21 ZINC001236909056 979794211 /nfs/dbraw/zinc/79/42/11/979794211.db2.gz OOUPANFCABBOJA-VIFPVBQESA-N 2 2 236.290 2.351 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2ccoc21 ZINC001236909056 979794219 /nfs/dbraw/zinc/79/42/19/979794219.db2.gz OOUPANFCABBOJA-VIFPVBQESA-N 2 2 236.290 2.351 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cs1 ZINC001205264727 979811460 /nfs/dbraw/zinc/81/14/60/979811460.db2.gz LDHSKHGBIRVXGE-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cs1 ZINC001205264727 979811465 /nfs/dbraw/zinc/81/14/65/979811465.db2.gz LDHSKHGBIRVXGE-GFCCVEGCSA-N 2 2 239.388 2.155 20 0 BEADLP C[NH+](C)CCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250164857 980129915 /nfs/dbraw/zinc/12/99/15/980129915.db2.gz PQCNCSXAFSHCAV-UHFFFAOYSA-N 2 2 243.354 2.426 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102622 980152964 /nfs/dbraw/zinc/15/29/64/980152964.db2.gz GEDZTWOTFLCKHO-GHMZBOCLSA-N 2 2 233.290 2.267 20 0 BEADLP C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc2c[nH+]cn21 ZINC001238102622 980152966 /nfs/dbraw/zinc/15/29/66/980152966.db2.gz GEDZTWOTFLCKHO-GHMZBOCLSA-N 2 2 233.290 2.267 20 0 BEADLP Cc1cn2cc(C3=CCC[NH2+]CC3)ccc2[nH+]1 ZINC001238940464 980380254 /nfs/dbraw/zinc/38/02/54/980380254.db2.gz BDENKGBSPQDNMV-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345104230 980550555 /nfs/dbraw/zinc/55/05/55/980550555.db2.gz LVIDPHKTTLBDNY-GFCCVEGCSA-N 2 2 232.371 2.263 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccsc1Cl ZINC001345103542 980550849 /nfs/dbraw/zinc/55/08/49/980550849.db2.gz GOXQMVULVRTIEY-QMMMGPOBSA-N 2 2 232.780 2.489 20 0 BEADLP C[NH+](C)Cc1ccccc1-c1cc[nH+]c(N)c1 ZINC001239681829 980840646 /nfs/dbraw/zinc/84/06/46/980840646.db2.gz UBHWBEUGHLXNHY-UHFFFAOYSA-N 2 2 227.311 2.392 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccoc3)cc2)C1 ZINC001239690584 980848710 /nfs/dbraw/zinc/84/87/10/980848710.db2.gz KMFGFSLIZHNVJO-OAHLLOKOSA-N 2 2 242.322 2.480 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccoc3)cc2)C1 ZINC001239690584 980848712 /nfs/dbraw/zinc/84/87/12/980848712.db2.gz KMFGFSLIZHNVJO-OAHLLOKOSA-N 2 2 242.322 2.480 20 0 BEADLP Cn1c[nH+]cc1-c1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240469234 981405791 /nfs/dbraw/zinc/40/57/91/981405791.db2.gz RPBLRCRSKMRHBA-UHFFFAOYSA-N 2 2 239.322 2.464 20 0 BEADLP Cc1c(C=C2CC[NH2+]CC2)ccc2[nH+]ccn21 ZINC001240879113 981934775 /nfs/dbraw/zinc/93/47/75/981934775.db2.gz KFXGDLJFRUKCER-UHFFFAOYSA-N 2 2 227.311 2.410 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC001350955948 982134757 /nfs/dbraw/zinc/13/47/57/982134757.db2.gz KLMQSRRFPRSTBB-HNNXBMFYSA-N 3 2 249.402 2.056 20 0 BEADLP Nc1cc(-c2ccc3c(N)cc[nH+]c3c2)cc[nH+]1 ZINC001241169908 982312084 /nfs/dbraw/zinc/31/20/84/982312084.db2.gz QWISWFKVYVNQOH-UHFFFAOYSA-N 2 2 236.278 2.461 20 0 BEADLP Nc1cc(-c2cccc3c2CC[C@H]3[NH3+])cc[nH+]1 ZINC001241169878 982312122 /nfs/dbraw/zinc/31/21/22/982312122.db2.gz QESAJYGGOADWDP-CYBMUJFWSA-N 2 2 225.295 2.277 20 0 BEADLP COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205804091 982558505 /nfs/dbraw/zinc/55/85/05/982558505.db2.gz LPONOTANCZVDJV-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP COc1cccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205804091 982558509 /nfs/dbraw/zinc/55/85/09/982558509.db2.gz LPONOTANCZVDJV-GXTWGEPZSA-N 2 2 248.370 2.254 20 0 BEADLP CNc1ccccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205838156 982699151 /nfs/dbraw/zinc/69/91/51/982699151.db2.gz BABYIKWGRISICC-GXTWGEPZSA-N 2 2 247.386 2.288 20 0 BEADLP CNc1ccccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205838156 982699165 /nfs/dbraw/zinc/69/91/65/982699165.db2.gz BABYIKWGRISICC-GXTWGEPZSA-N 2 2 247.386 2.288 20 0 BEADLP Nc1ccc(Nc2c[nH+]c3ccccn23)c[nH+]1 ZINC001201275896 983175551 /nfs/dbraw/zinc/17/55/51/983175551.db2.gz MNTGYLDQCFKMGN-UHFFFAOYSA-N 2 2 225.255 2.055 20 0 BEADLP CCc1ccc(N(CC)CCC[NH+](C)C)[nH+]c1 ZINC001354171197 983183346 /nfs/dbraw/zinc/18/33/46/983183346.db2.gz JPKGFHMMVMFSOB-UHFFFAOYSA-N 2 2 235.375 2.422 20 0 BEADLP Cc1cc(N)[nH+]cc1-c1cccn2c[nH+]cc12 ZINC001242095183 983336713 /nfs/dbraw/zinc/33/67/13/983336713.db2.gz AFIOEBDBCQXHNZ-UHFFFAOYSA-N 2 2 224.267 2.287 20 0 BEADLP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccccc3)C[C@@H]21 ZINC001201606093 983371945 /nfs/dbraw/zinc/37/19/45/983371945.db2.gz IJZYYHDXBSEGEN-HOTGVXAUSA-N 2 2 244.382 2.255 20 0 BEADLP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]21 ZINC001201606093 983371978 /nfs/dbraw/zinc/37/19/78/983371978.db2.gz IJZYYHDXBSEGEN-HOTGVXAUSA-N 2 2 244.382 2.255 20 0 BEADLP COCC[N@H+](CCC(C)C)C1CC[NH+](C)CC1 ZINC001201620824 983377669 /nfs/dbraw/zinc/37/76/69/983377669.db2.gz TZNMPBPRPIYZQB-UHFFFAOYSA-N 2 2 242.407 2.075 20 0 BEADLP COCC[N@@H+](CCC(C)C)C1CC[NH+](C)CC1 ZINC001201620824 983377673 /nfs/dbraw/zinc/37/76/73/983377673.db2.gz TZNMPBPRPIYZQB-UHFFFAOYSA-N 2 2 242.407 2.075 20 0 BEADLP CCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201737330 983442582 /nfs/dbraw/zinc/44/25/82/983442582.db2.gz IQEHDCHAHXTDRX-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201737330 983442583 /nfs/dbraw/zinc/44/25/83/983442583.db2.gz IQEHDCHAHXTDRX-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201737330 983442587 /nfs/dbraw/zinc/44/25/87/983442587.db2.gz IQEHDCHAHXTDRX-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201737330 983442588 /nfs/dbraw/zinc/44/25/88/983442588.db2.gz IQEHDCHAHXTDRX-QWHCGFSZSA-N 2 2 210.365 2.203 20 0 BEADLP CN(C)c1cc(-c2cccc3c2C[NH2+]C3)cc[nH+]1 ZINC001356092752 983573002 /nfs/dbraw/zinc/57/30/02/983573002.db2.gz YQKDUEABXQOZKA-UHFFFAOYSA-N 2 2 239.322 2.418 20 0 BEADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ncccc2C)C1 ZINC001560844187 984012443 /nfs/dbraw/zinc/01/24/43/984012443.db2.gz VLANHPUSABQRFV-CQSZACIVSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2ncccc2C)C1 ZINC001560844187 984012455 /nfs/dbraw/zinc/01/24/55/984012455.db2.gz VLANHPUSABQRFV-CQSZACIVSA-N 2 2 247.386 2.006 20 0 BEADLP Cn1c[nH+]cc1-c1ccc2c(N)cc[nH+]c2c1 ZINC001243070022 984491890 /nfs/dbraw/zinc/49/18/90/984491890.db2.gz DZBFQRXMWPECEP-UHFFFAOYSA-N 2 2 224.267 2.218 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H](CCOC)c1ccccc1 ZINC001577720900 984661051 /nfs/dbraw/zinc/66/10/51/984661051.db2.gz AOJUHHWSVWLFEK-AWEZNQCLSA-N 2 2 236.359 2.045 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H](CCOC)c1ccccc1 ZINC001577720900 984661065 /nfs/dbraw/zinc/66/10/65/984661065.db2.gz AOJUHHWSVWLFEK-AWEZNQCLSA-N 2 2 236.359 2.045 20 0 BEADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccco1 ZINC001258198633 985593567 /nfs/dbraw/zinc/59/35/67/985593567.db2.gz IXCFEAFOBUZPMI-ZDUSSCGKSA-N 2 2 247.342 2.429 20 0 BEADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccco1 ZINC001258198633 985593576 /nfs/dbraw/zinc/59/35/76/985593576.db2.gz IXCFEAFOBUZPMI-ZDUSSCGKSA-N 2 2 247.342 2.429 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]CCOc1cc[nH+]cc1 ZINC001258458002 985901613 /nfs/dbraw/zinc/90/16/13/985901613.db2.gz NNRDFTXWCBFNMX-NSHDSACASA-N 2 2 220.316 2.239 20 0 BEADLP Cn1c[nH+]cc1C1CC[NH+](CC2CCC2)CC1 ZINC001460958412 985967445 /nfs/dbraw/zinc/96/74/45/985967445.db2.gz DWGPCKVVURCRRB-UHFFFAOYSA-N 2 2 233.359 2.400 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccn1C1CC1 ZINC001579499884 986027509 /nfs/dbraw/zinc/02/75/09/986027509.db2.gz JBFICGVQIZNXDK-BXUZGUMPSA-N 2 2 233.359 2.053 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccn1C(F)F ZINC001579500002 986034053 /nfs/dbraw/zinc/03/40/53/986034053.db2.gz OMYHCDCAIVUPHI-MWLCHTKSSA-N 2 2 243.301 2.113 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC001462248235 986324844 /nfs/dbraw/zinc/32/48/44/986324844.db2.gz OGRPANFRAFQZRX-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC001462248235 986324854 /nfs/dbraw/zinc/32/48/54/986324854.db2.gz OGRPANFRAFQZRX-NEPJUHHUSA-N 2 2 246.345 2.496 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC2(OC)CCC2)C1 ZINC001462280671 986336834 /nfs/dbraw/zinc/33/68/34/986336834.db2.gz CYZQVSKXSFBMSY-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCC2(OC)CCC2)C1 ZINC001462280671 986336852 /nfs/dbraw/zinc/33/68/52/986336852.db2.gz CYZQVSKXSFBMSY-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC001462480791 986404723 /nfs/dbraw/zinc/40/47/23/986404723.db2.gz QGPYJWPTWMTZIP-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCS2)C1 ZINC001462480791 986404730 /nfs/dbraw/zinc/40/47/30/986404730.db2.gz QGPYJWPTWMTZIP-QWHCGFSZSA-N 2 2 242.432 2.346 20 0 BEADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC001462647185 986477131 /nfs/dbraw/zinc/47/71/31/986477131.db2.gz PZBMOCAIJSMDDX-VQXHTEKXSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC001462647185 986477137 /nfs/dbraw/zinc/47/71/37/986477137.db2.gz PZBMOCAIJSMDDX-VQXHTEKXSA-N 2 2 232.318 2.104 20 0 BEADLP CNc1cc(-c2ccc3c(c2)C[NH2+]CC3)cc[nH+]1 ZINC001244972528 986551382 /nfs/dbraw/zinc/55/13/82/986551382.db2.gz GWZWCKFYCJRVGT-UHFFFAOYSA-N 2 2 239.322 2.436 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001254515994 986657665 /nfs/dbraw/zinc/65/76/65/986657665.db2.gz IJEOJKKHVIGMHM-XQQFMLRXSA-N 2 2 246.345 2.243 20 0 BEADLP C[N@H+]1CCC[C@H]([NH+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001254515994 986657669 /nfs/dbraw/zinc/65/76/69/986657669.db2.gz IJEOJKKHVIGMHM-XQQFMLRXSA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001254515994 986657672 /nfs/dbraw/zinc/65/76/72/986657672.db2.gz IJEOJKKHVIGMHM-XQQFMLRXSA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001254515994 986657674 /nfs/dbraw/zinc/65/76/74/986657674.db2.gz IJEOJKKHVIGMHM-XQQFMLRXSA-N 2 2 246.345 2.243 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001254515993 986659183 /nfs/dbraw/zinc/65/91/83/986659183.db2.gz IJEOJKKHVIGMHM-RWMBFGLXSA-N 2 2 246.345 2.243 20 0 BEADLP C[N@H+]1CCC[C@H]([NH+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001254515993 986659191 /nfs/dbraw/zinc/65/91/91/986659191.db2.gz IJEOJKKHVIGMHM-RWMBFGLXSA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001254515993 986659200 /nfs/dbraw/zinc/65/92/00/986659200.db2.gz IJEOJKKHVIGMHM-RWMBFGLXSA-N 2 2 246.345 2.243 20 0 BEADLP C[NH+]1CCC[C@H]([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001254515993 986659211 /nfs/dbraw/zinc/65/92/11/986659211.db2.gz IJEOJKKHVIGMHM-RWMBFGLXSA-N 2 2 246.345 2.243 20 0 BEADLP C/C(=C\C=C\[NH3+])C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245425387 986847006 /nfs/dbraw/zinc/84/70/06/986847006.db2.gz ODJFMNNCODHGDI-FVGAGIMQSA-N 2 2 248.370 2.216 20 0 BEADLP Cc1cc(-c2cncc(C[NH+](C)C)c2)c[nH+]c1N ZINC001245540594 986926876 /nfs/dbraw/zinc/92/68/76/986926876.db2.gz WFAOWLWRRWAXSH-UHFFFAOYSA-N 2 2 242.326 2.096 20 0 BEADLP Cc1cc(-c2ccc([C@H](C)[NH3+])nc2)c[nH+]c1N ZINC001245541250 986929534 /nfs/dbraw/zinc/92/95/34/986929534.db2.gz OPABYTBDLMDIMN-VIFPVBQESA-N 2 2 228.299 2.054 20 0 BEADLP C[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1F ZINC001256072282 987127843 /nfs/dbraw/zinc/12/78/43/987127843.db2.gz ABLPGVUOGBDGBI-BXUZGUMPSA-N 2 2 240.366 2.293 20 0 BEADLP C[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1F ZINC001256072282 987127857 /nfs/dbraw/zinc/12/78/57/987127857.db2.gz ABLPGVUOGBDGBI-BXUZGUMPSA-N 2 2 240.366 2.293 20 0 BEADLP CCCC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246085716 987385616 /nfs/dbraw/zinc/38/56/16/987385616.db2.gz AOINVDDQAXGZKU-UONOGXRCSA-N 2 2 242.407 2.169 20 0 BEADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088300 987390968 /nfs/dbraw/zinc/39/09/68/987390968.db2.gz SXKQUEIQEVADMZ-RWMBFGLXSA-N 2 2 228.355 2.411 20 0 BEADLP CCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246088836 987391445 /nfs/dbraw/zinc/39/14/45/987391445.db2.gz XXEKPPLVSDIEGI-TUUUFIMRSA-N 2 2 228.355 2.245 20 0 BEADLP CCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088163 987391576 /nfs/dbraw/zinc/39/15/76/987391576.db2.gz RQAOMDQFSZBOAB-TUAOUCFPSA-N 2 2 216.344 2.245 20 0 BEADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246091574 987397329 /nfs/dbraw/zinc/39/73/29/987397329.db2.gz DSVINJBQTZEMJQ-MELADBBJSA-N 2 2 242.407 2.169 20 0 BEADLP FC(F)c1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246124412 987470913 /nfs/dbraw/zinc/47/09/13/987470913.db2.gz FGDAEPBXKZGPST-LBPRGKRZSA-N 2 2 240.297 2.466 20 0 BEADLP Cc1ccc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246157813 987522089 /nfs/dbraw/zinc/52/20/89/987522089.db2.gz IESLQXGHHRHPBQ-ZDUSSCGKSA-N 2 2 238.762 2.490 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246168837 987530873 /nfs/dbraw/zinc/53/08/73/987530873.db2.gz LHTYJQHUSRAAEP-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246168839 987531940 /nfs/dbraw/zinc/53/19/40/987531940.db2.gz LHTYJQHUSRAAEP-UONOGXRCSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cn1 ZINC001246182940 987556141 /nfs/dbraw/zinc/55/61/41/987556141.db2.gz BWBHLAJNKHOVOW-KYTZWMPUSA-N 2 2 249.333 2.154 20 0 BEADLP c1cc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001246231928 987630072 /nfs/dbraw/zinc/63/00/72/987630072.db2.gz VEPWRNSOTPVQNU-CYBMUJFWSA-N 2 2 229.327 2.010 20 0 BEADLP c1[nH]c2ccccc2c1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246242768 987645042 /nfs/dbraw/zinc/64/50/42/987645042.db2.gz HBZSBPBEHZXZCH-ZDUSSCGKSA-N 2 2 243.354 2.400 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccncc2)C2CC2)C[NH2+]1 ZINC001246281412 987675506 /nfs/dbraw/zinc/67/55/06/987675506.db2.gz UXXWPXUMOALPRV-UGFHNGPFSA-N 2 2 245.370 2.263 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc(N)c1 ZINC001246298248 987694173 /nfs/dbraw/zinc/69/41/73/987694173.db2.gz VQSNWXNAPGVWOR-MJVIPROJSA-N 2 2 233.359 2.060 20 0 BEADLP CC1(C)CCC[C@@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C1 ZINC001246334493 987741493 /nfs/dbraw/zinc/74/14/93/987741493.db2.gz DBYVWLVLKBGRSQ-VXGBXAGGSA-N 2 2 242.432 2.250 20 0 BEADLP c1cc2cc(CC[NH2+][C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC001246362064 987769541 /nfs/dbraw/zinc/76/95/41/987769541.db2.gz DOTFLLBYKDWBED-AWEZNQCLSA-N 2 2 243.354 2.052 20 0 BEADLP Fc1ccccc1CC1([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246440442 987799538 /nfs/dbraw/zinc/79/95/38/987799538.db2.gz UBUATPUKZRQQSJ-CYBMUJFWSA-N 2 2 248.345 2.242 20 0 BEADLP Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC001117584829 987849629 /nfs/dbraw/zinc/84/96/29/987849629.db2.gz WRSCBZWPOVJKAL-KBPBESRZSA-N 2 2 234.387 2.466 20 0 BEADLP CC[C@H]1C[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)CCO1 ZINC001246506468 987859824 /nfs/dbraw/zinc/85/98/24/987859824.db2.gz HIRZNMCIRBIGGI-SOUVJXGZSA-N 2 2 248.370 2.234 20 0 BEADLP CC[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)CCO1 ZINC001246506466 987860093 /nfs/dbraw/zinc/86/00/93/987860093.db2.gz HIRZNMCIRBIGGI-RBSFLKMASA-N 2 2 248.370 2.234 20 0 BEADLP C[C@@H]1CC([NH2+][C@H](C[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC001246508182 987861679 /nfs/dbraw/zinc/86/16/79/987861679.db2.gz QWUGCKOHVKYLFP-LALPHHSUSA-N 2 2 248.370 2.232 20 0 BEADLP CC1(C)C[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)CCO1 ZINC001246508170 987863505 /nfs/dbraw/zinc/86/35/05/987863505.db2.gz QGCVUXGVVQKMGS-ZIAGYGMSSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cc([C@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525580 987878846 /nfs/dbraw/zinc/87/88/46/987878846.db2.gz JUMSNOXVPSGFBC-MPKXVKKWSA-N 2 2 249.358 2.260 20 0 BEADLP Cc1cc([C@H]2CCC[N@@H+]2[C@@H]2CC[NH2+][C@H](C)C2)no1 ZINC001246525580 987878849 /nfs/dbraw/zinc/87/88/49/987878849.db2.gz JUMSNOXVPSGFBC-MPKXVKKWSA-N 2 2 249.358 2.260 20 0 BEADLP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246532588 987891626 /nfs/dbraw/zinc/89/16/26/987891626.db2.gz WZXJGHNFBHNYJP-DOMZBBRYSA-N 2 2 248.345 2.106 20 0 BEADLP C[C@]1([NH3+])CC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001246532588 987891633 /nfs/dbraw/zinc/89/16/33/987891633.db2.gz WZXJGHNFBHNYJP-DOMZBBRYSA-N 2 2 248.345 2.106 20 0 BEADLP Cc1cccc2c1C[N@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246569025 988037745 /nfs/dbraw/zinc/03/77/45/988037745.db2.gz UPWIGPLXTNBPFT-TZMCWYRMSA-N 2 2 230.355 2.451 20 0 BEADLP Cc1cccc2c1C[N@@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246569025 988037761 /nfs/dbraw/zinc/03/77/61/988037761.db2.gz UPWIGPLXTNBPFT-TZMCWYRMSA-N 2 2 230.355 2.451 20 0 BEADLP [NH3+][C@@H]1C[C@@H](F)C[N@@H+](C2CCCCCC2)C1 ZINC001246575426 988076212 /nfs/dbraw/zinc/07/62/12/988076212.db2.gz MLJYVNVNNNYJOQ-GHMZBOCLSA-N 2 2 214.328 2.080 20 0 BEADLP [NH3+][C@@H]1C[C@@H](F)C[N@H+](C2CCCCCC2)C1 ZINC001246575426 988076231 /nfs/dbraw/zinc/07/62/31/988076231.db2.gz MLJYVNVNNNYJOQ-GHMZBOCLSA-N 2 2 214.328 2.080 20 0 BEADLP CC(C)CCC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246611247 988224504 /nfs/dbraw/zinc/22/45/04/988224504.db2.gz BMGKWOAPJMZTSC-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP CCC[C@@H](C)CC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246615237 988259680 /nfs/dbraw/zinc/25/96/80/988259680.db2.gz RUXBZNUKHDVSEE-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637002 988327499 /nfs/dbraw/zinc/32/74/99/988327499.db2.gz IIZLUQXGDFMESW-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001246637002 988327517 /nfs/dbraw/zinc/32/75/17/988327517.db2.gz IIZLUQXGDFMESW-IGQOVBAYSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC(F)C3)CC2)C[NH2+]1 ZINC001246644434 988356101 /nfs/dbraw/zinc/35/61/01/988356101.db2.gz PYTZHLFVZHATLY-DGCLKSJQSA-N 2 2 240.366 2.341 20 0 BEADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663522 988398356 /nfs/dbraw/zinc/39/83/56/988398356.db2.gz NIDYKEGLMBMONL-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663522 988398367 /nfs/dbraw/zinc/39/83/67/988398367.db2.gz NIDYKEGLMBMONL-BFHYXJOUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665861 988406866 /nfs/dbraw/zinc/40/68/66/988406866.db2.gz UVBQHDOEKMHLFU-WYUUTHIRSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC[NH2+]1 ZINC001246665861 988406873 /nfs/dbraw/zinc/40/68/73/988406873.db2.gz UVBQHDOEKMHLFU-WYUUTHIRSA-N 2 2 244.329 2.104 20 0 BEADLP CCCOC1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246793488 988473636 /nfs/dbraw/zinc/47/36/36/988473636.db2.gz ZTRDTCGFMFNDFK-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CCc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC001246814828 988495667 /nfs/dbraw/zinc/49/56/67/988495667.db2.gz UTLDUHXJAGJUAN-CZUORRHYSA-N 2 2 246.398 2.474 20 0 BEADLP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]([NH2+]C)C2)cc1 ZINC001246814828 988495669 /nfs/dbraw/zinc/49/56/69/988495669.db2.gz UTLDUHXJAGJUAN-CZUORRHYSA-N 2 2 246.398 2.474 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001246917510 988713016 /nfs/dbraw/zinc/71/30/16/988713016.db2.gz RHZHOQJCGPHYRU-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1[C@@H]1CCc2c(F)cccc2C1 ZINC001246917510 988713026 /nfs/dbraw/zinc/71/30/26/988713026.db2.gz RHZHOQJCGPHYRU-CHWSQXEVSA-N 2 2 248.345 2.106 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246920456 988723657 /nfs/dbraw/zinc/72/36/57/988723657.db2.gz PKILCQGRLSPQER-ARFHVFGLSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001246920456 988723688 /nfs/dbraw/zinc/72/36/88/988723688.db2.gz PKILCQGRLSPQER-ARFHVFGLSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001246920462 988728468 /nfs/dbraw/zinc/72/84/68/988728468.db2.gz PKILCQGRLSPQER-XHSDSOJGSA-N 2 2 244.382 2.301 20 0 BEADLP CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001246920462 988728492 /nfs/dbraw/zinc/72/84/92/988728492.db2.gz PKILCQGRLSPQER-XHSDSOJGSA-N 2 2 244.382 2.301 20 0 BEADLP CCCCCC[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982950 988816195 /nfs/dbraw/zinc/81/61/95/988816195.db2.gz KQXMPFKAWPEVQP-FRRDWIJNSA-N 2 2 228.380 2.003 20 0 BEADLP CCCCCC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001246982950 988816196 /nfs/dbraw/zinc/81/61/96/988816196.db2.gz KQXMPFKAWPEVQP-FRRDWIJNSA-N 2 2 228.380 2.003 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)cc1 ZINC001325036101 989065783 /nfs/dbraw/zinc/06/57/83/989065783.db2.gz AFJONSZJFNBXRD-LBPRGKRZSA-N 2 2 247.317 2.243 20 0 BEADLP CC[C@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@H]1CCCO1 ZINC001119733196 989376682 /nfs/dbraw/zinc/37/66/82/989376682.db2.gz ZGIOHSSKZXEFMJ-WCQYABFASA-N 2 2 237.347 2.074 20 0 BEADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1nc(C)sc1C ZINC001326473922 989574205 /nfs/dbraw/zinc/57/42/05/989574205.db2.gz QLWSLZYAHFEGIN-DTWKUNHWSA-N 2 2 241.404 2.409 20 0 BEADLP FC(F)(F)CCC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001120039857 989575076 /nfs/dbraw/zinc/57/50/76/989575076.db2.gz MKJUZPUPAPECCB-VIFPVBQESA-N 2 2 247.264 2.130 20 0 BEADLP Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)cc[nH+]1 ZINC001120820172 989899625 /nfs/dbraw/zinc/89/96/25/989899625.db2.gz AOQCMQPGCGGRNN-UHFFFAOYSA-N 2 2 242.326 2.497 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)[nH+]c1 ZINC001121009045 990000772 /nfs/dbraw/zinc/00/07/72/990000772.db2.gz MZXGBMBLCNMHTB-MGPQQGTHSA-N 2 2 245.370 2.396 20 0 BEADLP CCc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)[nH+]c1 ZINC001121009045 990000778 /nfs/dbraw/zinc/00/07/78/990000778.db2.gz MZXGBMBLCNMHTB-MGPQQGTHSA-N 2 2 245.370 2.396 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001258182693 991084772 /nfs/dbraw/zinc/08/47/72/991084772.db2.gz APZJIHQTAKGSTK-OCCSQVGLSA-N 2 2 236.359 2.285 20 0 BEADLP C[C@H](Cc1ccco1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001258182693 991084779 /nfs/dbraw/zinc/08/47/79/991084779.db2.gz APZJIHQTAKGSTK-OCCSQVGLSA-N 2 2 236.359 2.285 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCSC ZINC001258199300 991115852 /nfs/dbraw/zinc/11/58/52/991115852.db2.gz FCNZUWLZGMCWMV-LBPRGKRZSA-N 2 2 232.437 2.450 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCSC ZINC001258199300 991115856 /nfs/dbraw/zinc/11/58/56/991115856.db2.gz FCNZUWLZGMCWMV-LBPRGKRZSA-N 2 2 232.437 2.450 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258213355 991131135 /nfs/dbraw/zinc/13/11/35/991131135.db2.gz ZTJGVJDDTWUIIH-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CSCC[C@@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258213355 991131143 /nfs/dbraw/zinc/13/11/43/991131143.db2.gz ZTJGVJDDTWUIIH-VXGBXAGGSA-N 2 2 230.421 2.202 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC001308803252 991140466 /nfs/dbraw/zinc/14/04/66/991140466.db2.gz CGPSEGHXRUPQDQ-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC001308803252 991140473 /nfs/dbraw/zinc/14/04/73/991140473.db2.gz CGPSEGHXRUPQDQ-HNNXBMFYSA-N 2 2 247.386 2.006 20 0 BEADLP c1cn(-c2ccc(C[NH+]3CCC3)cc2)c[nH+]1 ZINC001139358128 991226540 /nfs/dbraw/zinc/22/65/40/991226540.db2.gz MNSCMCOQXXANCM-UHFFFAOYSA-N 2 2 213.284 2.078 20 0 BEADLP c1cn(-c2ccc(C[NH+]3CC=CC3)cc2)c[nH+]1 ZINC001139358141 991227581 /nfs/dbraw/zinc/22/75/81/991227581.db2.gz NUOOWJCQDXRIDG-UHFFFAOYSA-N 2 2 225.295 2.244 20 0 BEADLP CCCCC(CCCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258378407 991330139 /nfs/dbraw/zinc/33/01/39/991330139.db2.gz LAYJOUJWAFAOIR-CHWSQXEVSA-N 2 2 228.380 2.051 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001258610270 991532249 /nfs/dbraw/zinc/53/22/49/991532249.db2.gz IXZADXWNQRVLFB-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001258610270 991532266 /nfs/dbraw/zinc/53/22/66/991532266.db2.gz IXZADXWNQRVLFB-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001258617385 991544304 /nfs/dbraw/zinc/54/43/04/991544304.db2.gz FKTKXJDMNNGNAV-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1cccnc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001258617385 991544316 /nfs/dbraw/zinc/54/43/16/991544316.db2.gz FKTKXJDMNNGNAV-UKRRQHHQSA-N 2 2 247.386 2.087 20 0 BEADLP CCC[NH+]1CCC([N@@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001258771669 991740638 /nfs/dbraw/zinc/74/06/38/991740638.db2.gz NTPBAFOUGGXIBY-NEPJUHHUSA-N 2 2 228.355 2.293 20 0 BEADLP CCC[NH+]1CCC([N@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001258771669 991740646 /nfs/dbraw/zinc/74/06/46/991740646.db2.gz NTPBAFOUGGXIBY-NEPJUHHUSA-N 2 2 228.355 2.293 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001261297811 992262498 /nfs/dbraw/zinc/26/24/98/992262498.db2.gz PHAYISNJMVZJBR-KGLIPLIRSA-N 2 2 247.386 2.475 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001261297811 992262508 /nfs/dbraw/zinc/26/25/08/992262508.db2.gz PHAYISNJMVZJBR-KGLIPLIRSA-N 2 2 247.386 2.475 20 0 BEADLP CC(C)c1nc(C[NH2+][C@H](C)CC[NH3+])cs1 ZINC001261370462 992263953 /nfs/dbraw/zinc/26/39/53/992263953.db2.gz KEYFLAALRKBLAD-SECBINFHSA-N 2 2 227.377 2.093 20 0 BEADLP C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC001574979904 992959395 /nfs/dbraw/zinc/95/93/95/992959395.db2.gz NDHPQTHQNJDQOR-CNELAYHGSA-N 2 2 218.344 2.369 20 0 BEADLP C/C(=C\c1ccccc1)C[N@H+](C)C[C@@H](C)[NH3+] ZINC001574979904 992959404 /nfs/dbraw/zinc/95/94/04/992959404.db2.gz NDHPQTHQNJDQOR-CNELAYHGSA-N 2 2 218.344 2.369 20 0 BEADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C/C=C/Cl ZINC001575130782 992992732 /nfs/dbraw/zinc/99/27/32/992992732.db2.gz PWUOGOZTBLWGFC-QBBOHKLWSA-N 2 2 218.772 2.482 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001576005545 993153386 /nfs/dbraw/zinc/15/33/86/993153386.db2.gz MCSGNCGBXRHXCY-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001576005545 993153391 /nfs/dbraw/zinc/15/33/91/993153391.db2.gz MCSGNCGBXRHXCY-QWHCGFSZSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001576005542 993153532 /nfs/dbraw/zinc/15/35/32/993153532.db2.gz MCSGNCGBXRHXCY-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H]1CC2(CO1)CCCCC2 ZINC001576005542 993153539 /nfs/dbraw/zinc/15/35/39/993153539.db2.gz MCSGNCGBXRHXCY-CHWSQXEVSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C/C=C/c1cccc(F)c1 ZINC001576005237 993154197 /nfs/dbraw/zinc/15/41/97/993154197.db2.gz KQFNMIJFIXIVRY-MALLOTDXSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C/c1cccc(F)c1 ZINC001576005237 993154198 /nfs/dbraw/zinc/15/41/98/993154198.db2.gz KQFNMIJFIXIVRY-MALLOTDXSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)C/C=C\c1cccc(F)c1 ZINC001576005241 993155121 /nfs/dbraw/zinc/15/51/21/993155121.db2.gz KQFNMIJFIXIVRY-VLWUPBBWSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)C/C=C\c1cccc(F)c1 ZINC001576005241 993155125 /nfs/dbraw/zinc/15/51/25/993155125.db2.gz KQFNMIJFIXIVRY-VLWUPBBWSA-N 2 2 222.307 2.118 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC001576476819 993313993 /nfs/dbraw/zinc/31/39/93/993313993.db2.gz MTZGTFVZKDVLCR-AWEZNQCLSA-N 2 2 243.354 2.256 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001576489576 993320575 /nfs/dbraw/zinc/32/05/75/993320575.db2.gz QJZHSFQQMVMTKR-AWEZNQCLSA-N 2 2 243.354 2.398 20 0 BEADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333613 993389339 /nfs/dbraw/zinc/38/93/39/993389339.db2.gz CFRFCZPYAZYXQM-BLLLJJGKSA-N 2 2 244.382 2.487 20 0 BEADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000381333613 993389343 /nfs/dbraw/zinc/38/93/43/993389343.db2.gz CFRFCZPYAZYXQM-BLLLJJGKSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cc(N2CCC[C@H]([NH3+])[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000381424496 993393560 /nfs/dbraw/zinc/39/35/60/993393560.db2.gz BGGVTPJKXMARKJ-RYUDHWBXSA-N 2 2 248.374 2.224 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccn1C1CC1 ZINC001576748406 993411760 /nfs/dbraw/zinc/41/17/60/993411760.db2.gz KHTVDQMEMFSCDL-LALPHHSUSA-N 2 2 247.386 2.299 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccn1C1CC1 ZINC001576748407 993412620 /nfs/dbraw/zinc/41/26/20/993412620.db2.gz KHTVDQMEMFSCDL-TYNCELHUSA-N 2 2 247.386 2.299 20 0 BEADLP CCC[C@H](C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC001577357661 993613697 /nfs/dbraw/zinc/61/36/97/993613697.db2.gz DQWVYJCPRIZSQE-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CCC[C@H](C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)OC ZINC001577357661 993613712 /nfs/dbraw/zinc/61/37/12/993613712.db2.gz DQWVYJCPRIZSQE-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389474940 993746336 /nfs/dbraw/zinc/74/63/36/993746336.db2.gz VWJZNAXREOIMIY-CRWXNKLISA-N 2 2 240.391 2.015 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389474940 993746345 /nfs/dbraw/zinc/74/63/45/993746345.db2.gz VWJZNAXREOIMIY-CRWXNKLISA-N 2 2 240.391 2.015 20 0 BEADLP C=C/C=C\CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001621502011 1170829802 /nfs/dbraw/zinc/82/98/02/1170829802.db2.gz JKIZFGLDPDVOGX-SZZPACECSA-N 2 2 208.349 2.193 20 0 BEADLP C=C/C=C\CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001621502011 1170829810 /nfs/dbraw/zinc/82/98/10/1170829810.db2.gz JKIZFGLDPDVOGX-SZZPACECSA-N 2 2 208.349 2.193 20 0 BEADLP CC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000037080160 1170930378 /nfs/dbraw/zinc/93/03/78/1170930378.db2.gz STOLAYZYLJOJSH-CYBMUJFWSA-N 2 2 218.344 2.041 20 0 BEADLP CC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000037080160 1170930386 /nfs/dbraw/zinc/93/03/86/1170930386.db2.gz STOLAYZYLJOJSH-CYBMUJFWSA-N 2 2 218.344 2.041 20 0 BEADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000045653456 1171453662 /nfs/dbraw/zinc/45/36/62/1171453662.db2.gz LXPWXYNTYROZCQ-STQMWFEESA-N 2 2 236.359 2.283 20 0 BEADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccco2)C1 ZINC000045653456 1171453664 /nfs/dbraw/zinc/45/36/64/1171453664.db2.gz LXPWXYNTYROZCQ-STQMWFEESA-N 2 2 236.359 2.283 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000050228023 1171779267 /nfs/dbraw/zinc/77/92/67/1171779267.db2.gz SNLVWYLPNRWNOW-LLVKDONJSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000050228023 1171779270 /nfs/dbraw/zinc/77/92/70/1171779270.db2.gz SNLVWYLPNRWNOW-LLVKDONJSA-N 2 2 229.327 2.009 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000161733141 349492178 /nfs/dbraw/zinc/49/21/78/349492178.db2.gz BRCNEILKYAHILI-UKRRQHHQSA-N 2 2 245.370 2.106 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000161733141 349492181 /nfs/dbraw/zinc/49/21/81/349492181.db2.gz BRCNEILKYAHILI-UKRRQHHQSA-N 2 2 245.370 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000378721930 346813367 /nfs/dbraw/zinc/81/33/67/346813367.db2.gz GQHXOXSOCJSENT-FDYHWXHSSA-N 2 2 228.355 2.197 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000378721930 346813371 /nfs/dbraw/zinc/81/33/71/346813371.db2.gz GQHXOXSOCJSENT-FDYHWXHSSA-N 2 2 228.355 2.197 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000378721933 346813647 /nfs/dbraw/zinc/81/36/47/346813647.db2.gz GQHXOXSOCJSENT-UMSGYPCISA-N 2 2 228.355 2.197 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2F)C1 ZINC000378721933 346813652 /nfs/dbraw/zinc/81/36/52/346813652.db2.gz GQHXOXSOCJSENT-UMSGYPCISA-N 2 2 228.355 2.197 20 0 BEADLP C[C@@H]([NH2+]CCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272802821 398148446 /nfs/dbraw/zinc/14/84/46/398148446.db2.gz FDMXEZGEMJMLKJ-LLVKDONJSA-N 2 2 233.290 2.492 20 0 BEADLP CSCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245628685 398167775 /nfs/dbraw/zinc/16/77/75/398167775.db2.gz PLYQLPCKNDMLQN-VXGBXAGGSA-N 2 2 239.388 2.129 20 0 BEADLP CSCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245628685 398167776 /nfs/dbraw/zinc/16/77/76/398167776.db2.gz PLYQLPCKNDMLQN-VXGBXAGGSA-N 2 2 239.388 2.129 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cs1 ZINC000309316223 178033072 /nfs/dbraw/zinc/03/30/72/178033072.db2.gz PFZOFHCPVAGHLM-GFCCVEGCSA-N 2 2 236.384 2.383 20 0 BEADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000309316223 178033077 /nfs/dbraw/zinc/03/30/77/178033077.db2.gz PFZOFHCPVAGHLM-GFCCVEGCSA-N 2 2 236.384 2.383 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000415118781 398163646 /nfs/dbraw/zinc/16/36/46/398163646.db2.gz HPMDOFPTSFXHAV-NEPJUHHUSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC(C)(C)C[C@H]1C ZINC000415118781 398163648 /nfs/dbraw/zinc/16/36/48/398163648.db2.gz HPMDOFPTSFXHAV-NEPJUHHUSA-N 2 2 212.381 2.480 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+](C)CC[NH3+] ZINC000234278335 178067071 /nfs/dbraw/zinc/06/70/71/178067071.db2.gz RSUGYGYEEWUQKJ-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+](C)CC[NH3+] ZINC000234278335 178067073 /nfs/dbraw/zinc/06/70/73/178067073.db2.gz RSUGYGYEEWUQKJ-UHFFFAOYSA-N 2 2 212.724 2.039 20 0 BEADLP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235357421 178067210 /nfs/dbraw/zinc/06/72/10/178067210.db2.gz XBGPOQWFJDSJPL-MFKMUULPSA-N 2 2 238.762 2.427 20 0 BEADLP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235357421 178067212 /nfs/dbraw/zinc/06/72/12/178067212.db2.gz XBGPOQWFJDSJPL-MFKMUULPSA-N 2 2 238.762 2.427 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336745908 398187446 /nfs/dbraw/zinc/18/74/46/398187446.db2.gz AQCTWOKZSADUOA-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336745908 398187450 /nfs/dbraw/zinc/18/74/50/398187450.db2.gz AQCTWOKZSADUOA-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(F)ccc1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000094951113 178084182 /nfs/dbraw/zinc/08/41/82/178084182.db2.gz HHMYPSNZYKQISA-AWEZNQCLSA-N 2 2 236.334 2.018 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747143 398190559 /nfs/dbraw/zinc/19/05/59/398190559.db2.gz RURVMIPOHKFHAO-YRGRVCCFSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000336747143 398190561 /nfs/dbraw/zinc/19/05/61/398190561.db2.gz RURVMIPOHKFHAO-YRGRVCCFSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+]C1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000086333503 398191082 /nfs/dbraw/zinc/19/10/82/398191082.db2.gz DMSJIGVDGFYNLS-UHFFFAOYSA-N 2 2 230.764 2.325 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCC2)[C@H]1C ZINC000336712898 398204972 /nfs/dbraw/zinc/20/49/72/398204972.db2.gz VHKJNFMYZVHXSO-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1cc(NC2CC[NH+](CC(C)C)CC2)nc[nH+]1 ZINC000301221321 178155371 /nfs/dbraw/zinc/15/53/71/178155371.db2.gz AIEWYJNIBTYYNJ-UHFFFAOYSA-N 2 2 248.374 2.317 20 0 BEADLP CC(C)C1(C[NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000386479172 398210876 /nfs/dbraw/zinc/21/08/76/398210876.db2.gz WEKNKCPCCYTNLM-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP CC(C)C1(C[NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000386479172 398210880 /nfs/dbraw/zinc/21/08/80/398210880.db2.gz WEKNKCPCCYTNLM-LBPRGKRZSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(NCC[N@@H+](C)C2CCCC2)nc[nH+]1 ZINC000071377578 178159624 /nfs/dbraw/zinc/15/96/24/178159624.db2.gz RYGKYEQZJNPPLT-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1cc(NCC[N@H+](C)C2CCCC2)nc[nH+]1 ZINC000071377578 178159626 /nfs/dbraw/zinc/15/96/26/178159626.db2.gz RYGKYEQZJNPPLT-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP Cc1cc(NCCCn2cc[nH+]c2)cc[nH+]1 ZINC000167617120 178160367 /nfs/dbraw/zinc/16/03/67/178160367.db2.gz PONNKBRKFXQJIP-UHFFFAOYSA-N 2 2 216.288 2.089 20 0 BEADLP Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000040727042 178160656 /nfs/dbraw/zinc/16/06/56/178160656.db2.gz KTFSGMZEELMEGO-ZDUSSCGKSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000040727042 178160658 /nfs/dbraw/zinc/16/06/58/178160658.db2.gz KTFSGMZEELMEGO-ZDUSSCGKSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc[nH+]1 ZINC000301251553 178166002 /nfs/dbraw/zinc/16/60/02/178166002.db2.gz PVWLVKUXVGAQPF-NSHDSACASA-N 2 2 246.314 2.093 20 0 BEADLP Cc1cc(NC[C@H](C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000037988036 178168730 /nfs/dbraw/zinc/16/87/30/178168730.db2.gz PFHWCYVMKOBLRM-NSHDSACASA-N 2 2 236.363 2.270 20 0 BEADLP Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)nc[nH+]1 ZINC000040727366 178169244 /nfs/dbraw/zinc/16/92/44/178169244.db2.gz MSERCNIKLJOWHH-LBPRGKRZSA-N 2 2 248.374 2.319 20 0 BEADLP Cc1cc(NC[C@H]2CCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC000116260332 178169861 /nfs/dbraw/zinc/16/98/61/178169861.db2.gz QXGZULOTCXDRCA-GFCCVEGCSA-N 2 2 246.358 2.169 20 0 BEADLP Cc1cc(NC[C@H]2CCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC000116260332 178169862 /nfs/dbraw/zinc/16/98/62/178169862.db2.gz QXGZULOTCXDRCA-GFCCVEGCSA-N 2 2 246.358 2.169 20 0 BEADLP CCC(CC)C[N@H+](CC)CC(C)(C)[NH3+] ZINC000042488339 168349061 /nfs/dbraw/zinc/34/90/61/168349061.db2.gz HXSXAQIXQMKMEE-UHFFFAOYSA-N 2 2 200.370 2.482 20 0 BEADLP CCC(CC)C[N@@H+](CC)CC(C)(C)[NH3+] ZINC000042488339 168349063 /nfs/dbraw/zinc/34/90/63/168349063.db2.gz HXSXAQIXQMKMEE-UHFFFAOYSA-N 2 2 200.370 2.482 20 0 BEADLP Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)nc[nH+]1 ZINC000130855388 178180380 /nfs/dbraw/zinc/18/03/80/178180380.db2.gz HCFLAHSWOMUOMG-LBPRGKRZSA-N 2 2 234.347 2.105 20 0 BEADLP Cc1c[nH+]c(C)nc1N(C)CC1([NH+](C)C)CCC1 ZINC000576412816 365591403 /nfs/dbraw/zinc/59/14/03/365591403.db2.gz ROZYDYKSLDFSLL-UHFFFAOYSA-N 2 2 248.374 2.014 20 0 BEADLP CCC(CC)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291570314 168351613 /nfs/dbraw/zinc/35/16/13/168351613.db2.gz NXXBZFPMTPVOQW-UHFFFAOYSA-N 2 2 207.321 2.135 20 0 BEADLP CCC(CC)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291570314 168351616 /nfs/dbraw/zinc/35/16/16/168351616.db2.gz NXXBZFPMTPVOQW-UHFFFAOYSA-N 2 2 207.321 2.135 20 0 BEADLP c1cn(CC[NH+](CC2CC2)CC2CC2)c[nH+]1 ZINC000161924153 349521389 /nfs/dbraw/zinc/52/13/89/349521389.db2.gz UIIWFPHYKFAUHU-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP C[C@@](C[NH3+])([NH2+]Cc1cc(F)ccc1F)C1CC1 ZINC000430575480 398227952 /nfs/dbraw/zinc/22/79/52/398227952.db2.gz UXJPPVWRECRGMI-ZDUSSCGKSA-N 2 2 240.297 2.182 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)o1 ZINC000044730069 178233409 /nfs/dbraw/zinc/23/34/09/178233409.db2.gz XPSHMHXKOODOAF-PWSUYJOCSA-N 2 2 222.332 2.299 20 0 BEADLP CC1CCC(C[N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000381214299 398235468 /nfs/dbraw/zinc/23/54/68/398235468.db2.gz HRSPTPZMPOFWNJ-UHFFFAOYSA-N 2 2 212.381 2.482 20 0 BEADLP CC1CCC(C[N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000381214299 398235470 /nfs/dbraw/zinc/23/54/70/398235470.db2.gz HRSPTPZMPOFWNJ-UHFFFAOYSA-N 2 2 212.381 2.482 20 0 BEADLP CCc1cc(NCC[N@H+]2CC=CCC2)nc(C)[nH+]1 ZINC000280345535 538937060 /nfs/dbraw/zinc/93/70/60/538937060.db2.gz WAZNSSFFWBIMQN-UHFFFAOYSA-N 2 2 246.358 2.021 20 0 BEADLP CCc1cc(NCC[N@@H+]2CC=CCC2)nc(C)[nH+]1 ZINC000280345535 538937062 /nfs/dbraw/zinc/93/70/62/538937062.db2.gz WAZNSSFFWBIMQN-UHFFFAOYSA-N 2 2 246.358 2.021 20 0 BEADLP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473029 136229216 /nfs/dbraw/zinc/22/92/16/136229216.db2.gz XTIDLHCHVYXWPZ-AWEZNQCLSA-N 2 2 241.338 2.076 20 0 BEADLP Cn1c[nH+]cc1C[NH2+]Cc1sccc1Cl ZINC000289771088 538946092 /nfs/dbraw/zinc/94/60/92/538946092.db2.gz ITTNHUAGWVKIKI-UHFFFAOYSA-N 2 2 241.747 2.425 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@H+]1CCc1c[nH+]cn1C ZINC000334559522 136231096 /nfs/dbraw/zinc/23/10/96/136231096.db2.gz HTYGYZYYCILWLN-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP C[C@@H]1CC[C@H](C)C[N@@H+]1CCc1c[nH+]cn1C ZINC000334559522 136231097 /nfs/dbraw/zinc/23/10/97/136231097.db2.gz HTYGYZYYCILWLN-NWDGAFQWSA-N 2 2 221.348 2.083 20 0 BEADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000162218827 349591855 /nfs/dbraw/zinc/59/18/55/349591855.db2.gz JGRSNDSZABPNLN-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000162218827 349591859 /nfs/dbraw/zinc/59/18/59/349591859.db2.gz JGRSNDSZABPNLN-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000162218827 349591863 /nfs/dbraw/zinc/59/18/63/349591863.db2.gz JGRSNDSZABPNLN-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000162218827 349591869 /nfs/dbraw/zinc/59/18/69/349591869.db2.gz JGRSNDSZABPNLN-OAHLLOKOSA-N 2 2 247.386 2.388 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]CC[NH+]1CCCC1 ZINC000035117182 538956012 /nfs/dbraw/zinc/95/60/12/538956012.db2.gz BGSRLTDQDOLIKP-ZDUSSCGKSA-N 2 2 236.359 2.286 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671836 538972285 /nfs/dbraw/zinc/97/22/85/538972285.db2.gz HGSLDUOYXCJEAV-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671836 538972287 /nfs/dbraw/zinc/97/22/87/538972287.db2.gz HGSLDUOYXCJEAV-TZMCWYRMSA-N 2 2 218.344 2.431 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040671993 538972982 /nfs/dbraw/zinc/97/29/82/538972982.db2.gz IODVGRCQFCJVOE-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040671993 538972983 /nfs/dbraw/zinc/97/29/83/538972983.db2.gz IODVGRCQFCJVOE-DZGCQCFKSA-N 2 2 230.355 2.358 20 0 BEADLP Cc1cc(-c2[nH+]ccn2C)cc2c1C[NH2+]CC2 ZINC000630052565 361921170 /nfs/dbraw/zinc/92/11/70/361921170.db2.gz MBGZAJQLFPFQIK-UHFFFAOYSA-N 2 2 227.311 2.041 20 0 BEADLP CO[C@H](c1ccc(-c2[nH+]ccn2C)cc1)[C@@H](C)[NH3+] ZINC000630052937 361922831 /nfs/dbraw/zinc/92/28/31/361922831.db2.gz NRLNCKAMTWUVDY-MFKMUULPSA-N 2 2 245.326 2.122 20 0 BEADLP C[NH2+]CC1(c2ccc(-c3[nH+]ccn3C)cc2)CC1 ZINC000630053246 361922846 /nfs/dbraw/zinc/92/28/46/361922846.db2.gz RCBKORDFZDZTNT-UHFFFAOYSA-N 2 2 241.338 2.338 20 0 BEADLP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(C)n1 ZINC000186659874 538973927 /nfs/dbraw/zinc/97/39/27/538973927.db2.gz PGMVROIVEKSFPR-UHFFFAOYSA-N 2 2 247.386 2.224 20 0 BEADLP C[C@@H]1CC[C@H]([NH+]2[C@@H](C)CCC[C@@H]2C)C[NH2+]1 ZINC000378915641 538974865 /nfs/dbraw/zinc/97/48/65/538974865.db2.gz YWJMNVKJNKBVBU-VOAKCMCISA-N 2 2 210.365 2.390 20 0 BEADLP CC1(C)CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000336479249 342807470 /nfs/dbraw/zinc/80/74/70/342807470.db2.gz GWQZUGUPBZDGGJ-NWDGAFQWSA-N 2 2 233.359 2.366 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000393920908 344004249 /nfs/dbraw/zinc/00/42/49/344004249.db2.gz HTADNLOOGBRVAS-ZDUSSCGKSA-N 2 2 242.407 2.264 20 0 BEADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000393920908 344004252 /nfs/dbraw/zinc/00/42/52/344004252.db2.gz HTADNLOOGBRVAS-ZDUSSCGKSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000381472253 539001555 /nfs/dbraw/zinc/00/15/55/539001555.db2.gz NDEBTCLTUNYTES-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CC1 ZINC000381472253 539001556 /nfs/dbraw/zinc/00/15/56/539001556.db2.gz NDEBTCLTUNYTES-FZMZJTMJSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948528 539017370 /nfs/dbraw/zinc/01/73/70/539017370.db2.gz CPSPBZDFXOPRSP-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CCCCC2)C[NH2+]1 ZINC000062948528 539017371 /nfs/dbraw/zinc/01/73/71/539017371.db2.gz CPSPBZDFXOPRSP-YPMHNXCESA-N 2 2 210.365 2.391 20 0 BEADLP Cc1cc(Cl)cc(C)c1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335644925 136243274 /nfs/dbraw/zinc/24/32/74/136243274.db2.gz YPKWBWWPZIHHFN-GFCCVEGCSA-N 2 2 238.762 2.408 20 0 BEADLP CSC1(C[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000309867595 398324927 /nfs/dbraw/zinc/32/49/27/398324927.db2.gz PDSGMFJTQMPVSP-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP CSC1(C[NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000309867595 398324928 /nfs/dbraw/zinc/32/49/28/398324928.db2.gz PDSGMFJTQMPVSP-GFCCVEGCSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410871 398329330 /nfs/dbraw/zinc/32/93/30/398329330.db2.gz CGHDCCSWLFATNJ-RNCFNFMXSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000354410871 398329331 /nfs/dbraw/zinc/32/93/31/398329331.db2.gz CGHDCCSWLFATNJ-RNCFNFMXSA-N 2 2 248.374 2.296 20 0 BEADLP C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313274340 259332808 /nfs/dbraw/zinc/33/28/08/259332808.db2.gz UKONLHILLAXFRZ-ZDUSSCGKSA-N 2 2 243.354 2.356 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@H+](C)C1CC1 ZINC000304590698 259335395 /nfs/dbraw/zinc/33/53/95/259335395.db2.gz PGLQBNDWVQBBJV-CDGCEXEKSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[N@@H+](C)C1CC1 ZINC000304590698 259335396 /nfs/dbraw/zinc/33/53/96/259335396.db2.gz PGLQBNDWVQBBJV-CDGCEXEKSA-N 2 2 222.376 2.247 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000020127479 342970599 /nfs/dbraw/zinc/97/05/99/342970599.db2.gz YHROHFSMBVVDNX-LBPRGKRZSA-N 2 2 233.359 2.217 20 0 BEADLP CCc1cc(N[C@H](C)Cn2cc[nH+]c2)cc[nH+]1 ZINC000307766387 529561249 /nfs/dbraw/zinc/56/12/49/529561249.db2.gz DJQLGMMLLPJFRB-LLVKDONJSA-N 2 2 230.315 2.341 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000233485745 259336747 /nfs/dbraw/zinc/33/67/47/259336747.db2.gz GIWZAELPCHDQOS-RUXDESIVSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000233485745 259336749 /nfs/dbraw/zinc/33/67/49/259336749.db2.gz GIWZAELPCHDQOS-RUXDESIVSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506083 342988539 /nfs/dbraw/zinc/98/85/39/342988539.db2.gz BBGMTXWRJIQWBK-VXGBXAGGSA-N 2 2 209.337 2.297 20 0 BEADLP CC[NH+](CC)CCCNc1cccc[nH+]1 ZINC000021008610 343002095 /nfs/dbraw/zinc/00/20/95/343002095.db2.gz YFKREUAYKONUSE-UHFFFAOYSA-N 2 2 207.321 2.225 20 0 BEADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](C)C1(F)F ZINC000625656199 344025771 /nfs/dbraw/zinc/02/57/71/344025771.db2.gz ZVPZDRNEFVWLLQ-PHIMTYICSA-N 2 2 243.301 2.106 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000575208767 343053162 /nfs/dbraw/zinc/05/31/62/343053162.db2.gz LPAIFLGEHJZKFH-ITGUQSILSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000580034213 343065411 /nfs/dbraw/zinc/06/54/11/343065411.db2.gz DIIIJFODYKIJPX-QWHCGFSZSA-N 2 2 236.359 2.142 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000580034213 343065415 /nfs/dbraw/zinc/06/54/15/343065415.db2.gz DIIIJFODYKIJPX-QWHCGFSZSA-N 2 2 236.359 2.142 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)CC(F)(F)F)n1C ZINC000576837552 365701141 /nfs/dbraw/zinc/70/11/41/365701141.db2.gz IQNOHRZFLOXWDG-MRVPVSSYSA-N 2 2 249.280 2.407 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)CC(F)(F)F)n1C ZINC000576837553 365701248 /nfs/dbraw/zinc/70/12/48/365701248.db2.gz IQNOHRZFLOXWDG-QMMMGPOBSA-N 2 2 249.280 2.407 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccnc2ccccc12 ZINC000123774383 343165731 /nfs/dbraw/zinc/16/57/31/343165731.db2.gz NJGJYNCGKUYVCM-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccnc2ccccc12 ZINC000123774383 343165733 /nfs/dbraw/zinc/16/57/33/343165733.db2.gz NJGJYNCGKUYVCM-NSHDSACASA-N 2 2 229.327 2.014 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000310024239 343214840 /nfs/dbraw/zinc/21/48/40/343214840.db2.gz ONCHHAKUDJMKCP-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cccc(F)c1F ZINC000087472178 136281455 /nfs/dbraw/zinc/28/14/55/136281455.db2.gz JOCSNQPZPLKDDZ-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(F)c1F ZINC000087472178 136281456 /nfs/dbraw/zinc/28/14/56/136281456.db2.gz JOCSNQPZPLKDDZ-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP CCC(C)(C)[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000069015563 343256804 /nfs/dbraw/zinc/25/68/04/343256804.db2.gz YUIQLUVQRVLCPZ-LLVKDONJSA-N 2 2 200.370 2.480 20 0 BEADLP CCC(C)(C)[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000069015563 343256806 /nfs/dbraw/zinc/25/68/06/343256806.db2.gz YUIQLUVQRVLCPZ-LLVKDONJSA-N 2 2 200.370 2.480 20 0 BEADLP CC1=C(C)C[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000297575118 136291217 /nfs/dbraw/zinc/29/12/17/136291217.db2.gz IDIYNSGKVCDAPJ-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP CC1=C(C)C[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000297575118 136291218 /nfs/dbraw/zinc/29/12/18/136291218.db2.gz IDIYNSGKVCDAPJ-UHFFFAOYSA-N 2 2 219.332 2.005 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1 ZINC000035274864 343292064 /nfs/dbraw/zinc/29/20/64/343292064.db2.gz XQICYLDSKJHTAQ-NSHDSACASA-N 2 2 233.290 2.201 20 0 BEADLP C[NH+]1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000035276555 343292408 /nfs/dbraw/zinc/29/24/08/343292408.db2.gz MVUPUQPYGIJBFK-UHFFFAOYSA-N 2 2 240.297 2.149 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000668154130 488210836 /nfs/dbraw/zinc/21/08/36/488210836.db2.gz GBIKKAPZACIWOM-FPMFFAJLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H](CCc1ccco1)[NH2+]CCCn1cc[nH+]c1 ZINC000035451972 343297033 /nfs/dbraw/zinc/29/70/33/343297033.db2.gz BDFUJLVNTNMIMU-ZDUSSCGKSA-N 2 2 247.342 2.477 20 0 BEADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397665606 262929213 /nfs/dbraw/zinc/92/92/13/262929213.db2.gz PACUPNNQXXEOFE-NEPJUHHUSA-N 2 2 221.348 2.297 20 0 BEADLP Cc1ccoc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000335607639 136298679 /nfs/dbraw/zinc/29/86/79/136298679.db2.gz BROJHOBMMUHKOC-NEPJUHHUSA-N 2 2 222.332 2.338 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)n1 ZINC000335608050 136298699 /nfs/dbraw/zinc/29/86/99/136298699.db2.gz CSKQIQZDEONAFW-HIFRSBDPSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)n1 ZINC000335608050 136298700 /nfs/dbraw/zinc/29/87/00/136298700.db2.gz CSKQIQZDEONAFW-HIFRSBDPSA-N 2 2 247.386 2.271 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccn1 ZINC000037157273 343337251 /nfs/dbraw/zinc/33/72/51/343337251.db2.gz DYABQNMPXYQIRP-VXGBXAGGSA-N 2 2 230.315 2.017 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccnc1 ZINC000037157815 343337572 /nfs/dbraw/zinc/33/75/72/343337572.db2.gz NXAFWULSZBNDMI-VXGBXAGGSA-N 2 2 230.315 2.017 20 0 BEADLP CCC[C@@H](C)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000070902218 343339078 /nfs/dbraw/zinc/33/90/78/343339078.db2.gz ZKYAMCJDTOCFRP-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H](C)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC000070902218 343339081 /nfs/dbraw/zinc/33/90/81/343339081.db2.gz ZKYAMCJDTOCFRP-CHWSQXEVSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1sccc1Cl ZINC000335638527 136303005 /nfs/dbraw/zinc/30/30/05/136303005.db2.gz SYKPBVSULXUFDC-WCBMZHEXSA-N 2 2 244.791 2.489 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037408313 343344729 /nfs/dbraw/zinc/34/47/29/343344729.db2.gz MSGRZRWQQGXTLQ-GFCCVEGCSA-N 2 2 234.343 2.162 20 0 BEADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037408313 343344730 /nfs/dbraw/zinc/34/47/30/343344730.db2.gz MSGRZRWQQGXTLQ-GFCCVEGCSA-N 2 2 234.343 2.162 20 0 BEADLP C[C@H](CCc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000041063991 343414865 /nfs/dbraw/zinc/41/48/65/343414865.db2.gz KNVSQQHQLRDQLY-CQSZACIVSA-N 2 2 243.354 2.494 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1cccnc1C ZINC000349383799 136344138 /nfs/dbraw/zinc/34/41/38/136344138.db2.gz MKSMPWKNNVVJKA-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccnc1C ZINC000349383799 136344139 /nfs/dbraw/zinc/34/41/39/136344139.db2.gz MKSMPWKNNVVJKA-UHFFFAOYSA-N 2 2 235.375 2.164 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000350480755 136361022 /nfs/dbraw/zinc/36/10/22/136361022.db2.gz PXBHVJBBTISCEQ-SLEUVZQESA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccncc1 ZINC000350480755 136361023 /nfs/dbraw/zinc/36/10/23/136361023.db2.gz PXBHVJBBTISCEQ-SLEUVZQESA-N 2 2 245.370 2.215 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCCCC1 ZINC000130216348 136372645 /nfs/dbraw/zinc/37/26/45/136372645.db2.gz GPTOJWYZJHRPEM-RYUDHWBXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC1 ZINC000247980694 136373599 /nfs/dbraw/zinc/37/35/99/136373599.db2.gz MOPCFMKQGJCNNG-IUODEOHRSA-N 2 2 245.370 2.044 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC1 ZINC000247980694 136373600 /nfs/dbraw/zinc/37/36/00/136373600.db2.gz MOPCFMKQGJCNNG-IUODEOHRSA-N 2 2 245.370 2.044 20 0 BEADLP C[N@H+](Cc1ccc(F)c(F)c1)CC(C)(C)[NH3+] ZINC000258747912 136373736 /nfs/dbraw/zinc/37/37/36/136373736.db2.gz GDPBYZZKVSOAKO-UHFFFAOYSA-N 2 2 228.286 2.134 20 0 BEADLP C[N@@H+](Cc1ccc(F)c(F)c1)CC(C)(C)[NH3+] ZINC000258747912 136373737 /nfs/dbraw/zinc/37/37/37/136373737.db2.gz GDPBYZZKVSOAKO-UHFFFAOYSA-N 2 2 228.286 2.134 20 0 BEADLP CCC1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000042543885 343443358 /nfs/dbraw/zinc/44/33/58/343443358.db2.gz QLTGJGXKKXMTST-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP CCC1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000042543885 343443360 /nfs/dbraw/zinc/44/33/60/343443360.db2.gz QLTGJGXKKXMTST-WXRRBKDZSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC000043324978 343468245 /nfs/dbraw/zinc/46/82/45/343468245.db2.gz XDASWPIDMKGUAP-ZJUUUORDSA-N 2 2 210.346 2.151 20 0 BEADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1F ZINC000049553847 343602572 /nfs/dbraw/zinc/60/25/72/343602572.db2.gz IYSQPQLEYOPEJW-SNVBAGLBSA-N 2 2 242.313 2.395 20 0 BEADLP CC(C)C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000053660793 343651258 /nfs/dbraw/zinc/65/12/58/343651258.db2.gz SWHADQZCKZWEDZ-UHFFFAOYSA-N 2 2 234.334 2.209 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000087769583 343659947 /nfs/dbraw/zinc/65/99/47/343659947.db2.gz JHYUYVOXLPZESL-NSHDSACASA-N 2 2 212.381 2.495 20 0 BEADLP CC1(C)CC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000087769590 343660121 /nfs/dbraw/zinc/66/01/21/343660121.db2.gz BWLXSBCJKDXRDO-GFCCVEGCSA-N 2 2 210.365 2.251 20 0 BEADLP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C(C)C ZINC000053651586 346954966 /nfs/dbraw/zinc/95/49/66/346954966.db2.gz SQFMJIBZTNVYKD-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C(C)C ZINC000053651586 346954968 /nfs/dbraw/zinc/95/49/68/346954968.db2.gz SQFMJIBZTNVYKD-CYBMUJFWSA-N 2 2 212.381 2.495 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000625434724 343735737 /nfs/dbraw/zinc/73/57/37/343735737.db2.gz GMBOTZMJDZRKCY-WFASDCNBSA-N 2 2 239.322 2.324 20 0 BEADLP c1[nH]c2c([nH+]1)CC[N@H+]([C@H]1C[C@H]1c1ccccc1)C2 ZINC000625434724 343735738 /nfs/dbraw/zinc/73/57/38/343735738.db2.gz GMBOTZMJDZRKCY-WFASDCNBSA-N 2 2 239.322 2.324 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000221279648 259369869 /nfs/dbraw/zinc/36/98/69/259369869.db2.gz UVOCNJMCZWVSMX-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@H](C)C[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000221279648 259369871 /nfs/dbraw/zinc/36/98/71/259369871.db2.gz UVOCNJMCZWVSMX-QWHCGFSZSA-N 2 2 212.381 2.354 20 0 BEADLP COc1cc[nH+]c(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000517758787 343711059 /nfs/dbraw/zinc/71/10/59/343711059.db2.gz FCWDHUGGIOUPMX-UHFFFAOYSA-N 2 2 232.287 2.042 20 0 BEADLP CC(C)[C@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336663794 537817398 /nfs/dbraw/zinc/81/73/98/537817398.db2.gz KYYVBDUUYKZNLG-CHWSQXEVSA-N 2 2 221.348 2.297 20 0 BEADLP CC[NH+]1CCC([NH2+][C@@H]2COc3ccccc32)CC1 ZINC000070528544 343952542 /nfs/dbraw/zinc/95/25/42/343952542.db2.gz PPHKWMLSNLFDFB-CQSZACIVSA-N 2 2 246.354 2.194 20 0 BEADLP CC(C)[NH+](CCNc1cc[nH+]cc1F)C(C)C ZINC000641254202 362334786 /nfs/dbraw/zinc/33/47/86/362334786.db2.gz KDEZUMHGRMZHTA-UHFFFAOYSA-N 2 2 239.338 2.173 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671750 344161700 /nfs/dbraw/zinc/16/17/00/344161700.db2.gz NQBAYGDGERBKPR-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671750 344161705 /nfs/dbraw/zinc/16/17/05/344161705.db2.gz NQBAYGDGERBKPR-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000130264887 344219651 /nfs/dbraw/zinc/21/96/51/344219651.db2.gz GNCMUZWSUWGTTG-NDBYEHHHSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCC1 ZINC000133302173 344316767 /nfs/dbraw/zinc/31/67/67/344316767.db2.gz XRRCJXMGQJGBNP-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCC1 ZINC000133302173 344316769 /nfs/dbraw/zinc/31/67/69/344316769.db2.gz XRRCJXMGQJGBNP-CMPLNLGQSA-N 2 2 208.349 2.001 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000385200210 344376603 /nfs/dbraw/zinc/37/66/03/344376603.db2.gz QYHMDURVEVIISZ-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000385200210 344376605 /nfs/dbraw/zinc/37/66/05/344376605.db2.gz QYHMDURVEVIISZ-SMDDNHRTSA-N 2 2 218.344 2.171 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000309962723 344481981 /nfs/dbraw/zinc/48/19/81/344481981.db2.gz MCFZJIHKTPIDAU-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000309962723 344481984 /nfs/dbraw/zinc/48/19/84/344481984.db2.gz MCFZJIHKTPIDAU-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323661 344488047 /nfs/dbraw/zinc/48/80/47/344488047.db2.gz VYBVHHNPDZRPCJ-YPMHNXCESA-N 2 2 204.317 2.089 20 0 BEADLP C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326275 344488620 /nfs/dbraw/zinc/48/86/20/344488620.db2.gz XSFBMNDDGMXXMZ-QWRGUYRKSA-N 2 2 224.373 2.021 20 0 BEADLP C[N@H+](CC[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000037267993 344496916 /nfs/dbraw/zinc/49/69/16/344496916.db2.gz JBNMXTAPDSMHTM-UHFFFAOYSA-N 2 2 220.360 2.375 20 0 BEADLP C[N@@H+](CC[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000037267993 344496918 /nfs/dbraw/zinc/49/69/18/344496918.db2.gz JBNMXTAPDSMHTM-UHFFFAOYSA-N 2 2 220.360 2.375 20 0 BEADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3F)CC[C@H]21 ZINC000641444180 362422024 /nfs/dbraw/zinc/42/20/24/362422024.db2.gz PCPRYQZTPOTXTP-WCQYABFASA-N 2 2 249.333 2.141 20 0 BEADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3F)CC[C@H]21 ZINC000641444180 362422027 /nfs/dbraw/zinc/42/20/27/362422027.db2.gz PCPRYQZTPOTXTP-WCQYABFASA-N 2 2 249.333 2.141 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCC1 ZINC000336781646 537852864 /nfs/dbraw/zinc/85/28/64/537852864.db2.gz VETCTOPJVIKOBK-STQMWFEESA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@@H]1CCCC[N@@H+]1CCNc1cc[nH+]c(C)n1 ZINC000078257774 344839096 /nfs/dbraw/zinc/83/90/96/344839096.db2.gz UVVYZSOSVSQECX-CYBMUJFWSA-N 2 2 248.374 2.461 20 0 BEADLP CC[C@@H]1CCCC[N@H+]1CCNc1cc[nH+]c(C)n1 ZINC000078257774 344839098 /nfs/dbraw/zinc/83/90/98/344839098.db2.gz UVVYZSOSVSQECX-CYBMUJFWSA-N 2 2 248.374 2.461 20 0 BEADLP Cc1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000628147055 344831177 /nfs/dbraw/zinc/83/11/77/344831177.db2.gz HUHAOYYQTSKDCX-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP Cc1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000628147055 344831180 /nfs/dbraw/zinc/83/11/80/344831180.db2.gz HUHAOYYQTSKDCX-LLVKDONJSA-N 2 2 246.314 2.086 20 0 BEADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cccc[nH+]1 ZINC000078456168 344870211 /nfs/dbraw/zinc/87/02/11/344870211.db2.gz FTGNMPNKVNZTDE-ZDUSSCGKSA-N 2 2 233.359 2.392 20 0 BEADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cccc[nH+]1 ZINC000078456168 344870213 /nfs/dbraw/zinc/87/02/13/344870213.db2.gz FTGNMPNKVNZTDE-ZDUSSCGKSA-N 2 2 233.359 2.392 20 0 BEADLP Cc1scc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000631089642 344896153 /nfs/dbraw/zinc/89/61/53/344896153.db2.gz XCNVRTSAAPMTOD-RNCFNFMXSA-N 2 2 238.400 2.405 20 0 BEADLP Cc1scc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000631089642 344896154 /nfs/dbraw/zinc/89/61/54/344896154.db2.gz XCNVRTSAAPMTOD-RNCFNFMXSA-N 2 2 238.400 2.405 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@@H+]1C1CC1 ZINC000308721566 323081025 /nfs/dbraw/zinc/08/10/25/323081025.db2.gz DMMPFPBXGWCSMG-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)C[N@H+]1C1CC1 ZINC000308721566 323081026 /nfs/dbraw/zinc/08/10/26/323081026.db2.gz DMMPFPBXGWCSMG-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304597867 344953401 /nfs/dbraw/zinc/95/34/01/344953401.db2.gz QDGFRCIEMGHVEV-WUHRBBMRSA-N 2 2 219.332 2.050 20 0 BEADLP CC[C@@H](COC)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153796104 344975900 /nfs/dbraw/zinc/97/59/00/344975900.db2.gz VHRJZKLJYNECHM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](COC)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153796104 344975903 /nfs/dbraw/zinc/97/59/03/344975903.db2.gz VHRJZKLJYNECHM-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP Cc1nc(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000385610412 345007347 /nfs/dbraw/zinc/00/73/47/345007347.db2.gz NMFYDSNBNJDHSF-UHFFFAOYSA-N 2 2 249.358 2.008 20 0 BEADLP c1cn(CCCC[NH2+]Cc2ccccc2)c[nH+]1 ZINC000044353277 345032515 /nfs/dbraw/zinc/03/25/15/345032515.db2.gz YXNAWENMRTUVDH-UHFFFAOYSA-N 2 2 229.327 2.453 20 0 BEADLP CC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641630150 362560061 /nfs/dbraw/zinc/56/00/61/362560061.db2.gz TUCULHTVFRFCHB-NSHDSACASA-N 2 2 237.322 2.141 20 0 BEADLP CC(C)[C@@H](C)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634991349 345176715 /nfs/dbraw/zinc/17/67/15/345176715.db2.gz ANBLUGWBKBILEG-LKSINWNRSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)[C@@H](C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634991349 345176719 /nfs/dbraw/zinc/17/67/19/345176719.db2.gz ANBLUGWBKBILEG-LKSINWNRSA-N 2 2 222.376 2.247 20 0 BEADLP c1ccc(C[N@H+](CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000634991606 345178320 /nfs/dbraw/zinc/17/83/20/345178320.db2.gz KRUOVDRFDJSHTN-UHFFFAOYSA-N 2 2 242.366 2.403 20 0 BEADLP c1ccc(C[N@@H+](CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000634991606 345178322 /nfs/dbraw/zinc/17/83/22/345178322.db2.gz KRUOVDRFDJSHTN-UHFFFAOYSA-N 2 2 242.366 2.403 20 0 BEADLP C[C@@H]([N@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000634992182 345179874 /nfs/dbraw/zinc/17/98/74/345179874.db2.gz HKKDTKXWAAAKCR-XSRFYTQQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]([N@@H+](C)CC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000634992182 345179875 /nfs/dbraw/zinc/17/98/75/345179875.db2.gz HKKDTKXWAAAKCR-XSRFYTQQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H](C1CC1)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992178 345179900 /nfs/dbraw/zinc/17/99/00/345179900.db2.gz GZVBBXIGKJSYPY-IFQILLTASA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H](C1CC1)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992178 345179901 /nfs/dbraw/zinc/17/99/01/345179901.db2.gz GZVBBXIGKJSYPY-IFQILLTASA-N 2 2 220.360 2.001 20 0 BEADLP CC(C)(C)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992588 345180845 /nfs/dbraw/zinc/18/08/45/345180845.db2.gz UUINOAXZFXCTCP-MBHSVXNSSA-N 2 2 222.376 2.249 20 0 BEADLP CC(C)(C)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992588 345180849 /nfs/dbraw/zinc/18/08/49/345180849.db2.gz UUINOAXZFXCTCP-MBHSVXNSSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994615 345181476 /nfs/dbraw/zinc/18/14/76/345181476.db2.gz IYFXJRZXLQVYES-PGDPNYEUSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994615 345181479 /nfs/dbraw/zinc/18/14/79/345181479.db2.gz IYFXJRZXLQVYES-PGDPNYEUSA-N 2 2 222.376 2.105 20 0 BEADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995125 345183522 /nfs/dbraw/zinc/18/35/22/345183522.db2.gz VTSQCCWARUBCEU-QPBDYMMBSA-N 2 2 248.292 2.011 20 0 BEADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634995125 345183524 /nfs/dbraw/zinc/18/35/24/345183524.db2.gz VTSQCCWARUBCEU-QPBDYMMBSA-N 2 2 248.292 2.011 20 0 BEADLP CC(C)C1(C)CC[NH+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634995073 345183672 /nfs/dbraw/zinc/18/36/72/345183672.db2.gz UITOEUZOJXHIKO-UHFFFAOYSA-N 2 2 236.403 2.497 20 0 BEADLP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)no1 ZINC000634959180 345132992 /nfs/dbraw/zinc/13/29/92/345132992.db2.gz JZWGLCPOOHLKRY-UHFFFAOYSA-N 2 2 246.314 2.052 20 0 BEADLP C[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CC(C)(C)C1 ZINC000634993813 345191856 /nfs/dbraw/zinc/19/18/56/345191856.db2.gz HGDKLISMDVJPHK-DCBWTQNWSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CC(C)(C)C1 ZINC000634993813 345191860 /nfs/dbraw/zinc/19/18/60/345191860.db2.gz HGDKLISMDVJPHK-DCBWTQNWSA-N 2 2 222.376 2.106 20 0 BEADLP CC(C)(F)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000635004563 345207510 /nfs/dbraw/zinc/20/75/10/345207510.db2.gz PNUWGNDUEIIVEU-NWDGAFQWSA-N 2 2 222.307 2.469 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000635011195 345212604 /nfs/dbraw/zinc/21/26/04/345212604.db2.gz DIBGPUWYBMTUTQ-DOLQZWNJSA-N 2 2 236.281 2.057 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635011781 345213360 /nfs/dbraw/zinc/21/33/60/345213360.db2.gz HMUCSGKBWKLUAE-XHDPSFHLSA-N 2 2 243.354 2.256 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368097866 345217805 /nfs/dbraw/zinc/21/78/05/345217805.db2.gz AATLVHJBATZHBS-QWRGUYRKSA-N 2 2 221.348 2.435 20 0 BEADLP CCCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368097866 345217810 /nfs/dbraw/zinc/21/78/10/345217810.db2.gz AATLVHJBATZHBS-QWRGUYRKSA-N 2 2 221.348 2.435 20 0 BEADLP C[C@H](C[NH2+]CC[NH+]1CCCC1)C(C)(C)C ZINC000235455292 537893283 /nfs/dbraw/zinc/89/32/83/537893283.db2.gz SVKSROXHUSIXGG-GFCCVEGCSA-N 2 2 212.381 2.354 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cnccn1 ZINC000090847207 345577243 /nfs/dbraw/zinc/57/72/43/345577243.db2.gz BSEIFNYJWHLINE-GFCCVEGCSA-N 2 2 242.326 2.073 20 0 BEADLP COCc1cccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000159765696 345523653 /nfs/dbraw/zinc/52/36/53/345523653.db2.gz XQEVRYGEFNGFGB-OAHLLOKOSA-N 2 2 248.370 2.002 20 0 BEADLP COCc1cccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000159765696 345523655 /nfs/dbraw/zinc/52/36/55/345523655.db2.gz XQEVRYGEFNGFGB-OAHLLOKOSA-N 2 2 248.370 2.002 20 0 BEADLP CC[NH+]1CCC([N@H+](C)Cc2ncccc2C)CC1 ZINC000093178530 345659454 /nfs/dbraw/zinc/65/94/54/345659454.db2.gz FSJINQTYXLYFNZ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[NH+]1CCC([N@@H+](C)Cc2ncccc2C)CC1 ZINC000093178530 345659458 /nfs/dbraw/zinc/65/94/58/345659458.db2.gz FSJINQTYXLYFNZ-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC[C@@H](C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000093055366 345656436 /nfs/dbraw/zinc/65/64/36/345656436.db2.gz WBCPSGCTPSNJDE-GFCCVEGCSA-N 2 2 244.342 2.403 20 0 BEADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000113606783 345674322 /nfs/dbraw/zinc/67/43/22/345674322.db2.gz LXGYIEMPXLUBRM-NSHDSACASA-N 2 2 222.332 2.037 20 0 BEADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000113606783 345674325 /nfs/dbraw/zinc/67/43/25/345674325.db2.gz LXGYIEMPXLUBRM-NSHDSACASA-N 2 2 222.332 2.037 20 0 BEADLP [NH3+]CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000216090235 345743466 /nfs/dbraw/zinc/74/34/66/345743466.db2.gz LSDYOSZPCSEPGO-UHFFFAOYSA-N 2 2 232.371 2.290 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000070643846 345794151 /nfs/dbraw/zinc/79/41/51/345794151.db2.gz JHPFTLZSKUWDOU-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@@H+]1C ZINC000628223410 345964252 /nfs/dbraw/zinc/96/42/52/345964252.db2.gz CYPPSQQJZIHXGW-CMPLNLGQSA-N 2 2 249.358 2.124 20 0 BEADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)o2)CC[N@H+]1C ZINC000628223410 345964253 /nfs/dbraw/zinc/96/42/53/345964253.db2.gz CYPPSQQJZIHXGW-CMPLNLGQSA-N 2 2 249.358 2.124 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358282167 179032555 /nfs/dbraw/zinc/03/25/55/179032555.db2.gz BKVASGSFAVGZJQ-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C)c1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358282167 179032557 /nfs/dbraw/zinc/03/25/57/179032557.db2.gz BKVASGSFAVGZJQ-ZBFHGGJFSA-N 2 2 246.398 2.386 20 0 BEADLP Cc1cccc(C)c1C[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000122157446 179033210 /nfs/dbraw/zinc/03/32/10/179033210.db2.gz CISYLWUWETZNCL-ZDUSSCGKSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cccc(C)c1C[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000122157446 179033213 /nfs/dbraw/zinc/03/32/13/179033213.db2.gz CISYLWUWETZNCL-ZDUSSCGKSA-N 2 2 218.344 2.097 20 0 BEADLP CC[C@@H]([NH2+]CC[NH+](C)C)C1CCCCC1 ZINC000052340211 346314164 /nfs/dbraw/zinc/31/41/64/346314164.db2.gz YGNGRFFXZNSRCR-CYBMUJFWSA-N 2 2 212.381 2.497 20 0 BEADLP CSCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309087729 349951591 /nfs/dbraw/zinc/95/15/91/349951591.db2.gz ZZGUHPRXCBCQOT-UHFFFAOYSA-N 2 2 224.373 2.275 20 0 BEADLP Cc1cccc(CC[C@@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000040500383 179061435 /nfs/dbraw/zinc/06/14/35/179061435.db2.gz GSPYEUGPEKUOSI-CQSZACIVSA-N 2 2 234.387 2.467 20 0 BEADLP C[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1F ZINC000679225066 488316641 /nfs/dbraw/zinc/31/66/41/488316641.db2.gz WISCUFNWBSWABN-UPJWGTAASA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1F ZINC000679225066 488316643 /nfs/dbraw/zinc/31/66/43/488316643.db2.gz WISCUFNWBSWABN-UPJWGTAASA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1F ZINC000679225066 488316644 /nfs/dbraw/zinc/31/66/44/488316644.db2.gz WISCUFNWBSWABN-UPJWGTAASA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1F ZINC000679225066 488316646 /nfs/dbraw/zinc/31/66/46/488316646.db2.gz WISCUFNWBSWABN-UPJWGTAASA-N 2 2 228.355 2.151 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811365 179083938 /nfs/dbraw/zinc/08/39/38/179083938.db2.gz LUXMIKZAIBOPAW-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811365 179083939 /nfs/dbraw/zinc/08/39/39/179083939.db2.gz LUXMIKZAIBOPAW-LSDHHAIUSA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1C ZINC000219798780 179083973 /nfs/dbraw/zinc/08/39/73/179083973.db2.gz QOQRPDWKCQTVGQ-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1C ZINC000219798780 179083974 /nfs/dbraw/zinc/08/39/74/179083974.db2.gz QOQRPDWKCQTVGQ-JKSUJKDBSA-N 2 2 244.382 2.487 20 0 BEADLP CCc1nc(C)c(C[NH2+][C@@](C)(C[NH3+])C(C)C)o1 ZINC000641797835 362738652 /nfs/dbraw/zinc/73/86/52/362738652.db2.gz JLEJGSYUEPXVCF-ZDUSSCGKSA-N 2 2 239.363 2.008 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000641798332 362744342 /nfs/dbraw/zinc/74/43/42/362744342.db2.gz FTONQIUYQNHAQN-MXWKQRLJSA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000641798332 362744345 /nfs/dbraw/zinc/74/43/45/362744345.db2.gz FTONQIUYQNHAQN-MXWKQRLJSA-N 2 2 234.334 2.337 20 0 BEADLP CCC(F)(F)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000641798190 362745292 /nfs/dbraw/zinc/74/52/92/362745292.db2.gz ILOKJTKXFQDECF-LBPRGKRZSA-N 2 2 246.345 2.496 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641799812 362750261 /nfs/dbraw/zinc/75/02/61/362750261.db2.gz ZYLJXXZXRQDIME-HBNTYKKESA-N 2 2 232.318 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641799812 362750266 /nfs/dbraw/zinc/75/02/66/362750266.db2.gz ZYLJXXZXRQDIME-HBNTYKKESA-N 2 2 232.318 2.091 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000641797155 362741706 /nfs/dbraw/zinc/74/17/06/362741706.db2.gz WBNPSWSEIXXOMS-VHSXEESVSA-N 2 2 220.307 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000641797155 362741709 /nfs/dbraw/zinc/74/17/09/362741709.db2.gz WBNPSWSEIXXOMS-VHSXEESVSA-N 2 2 220.307 2.091 20 0 BEADLP CCC(F)(F)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641799809 362750395 /nfs/dbraw/zinc/75/03/95/362750395.db2.gz ZYLJXXZXRQDIME-AXFHLTTASA-N 2 2 232.318 2.091 20 0 BEADLP CCC(F)(F)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641799809 362750402 /nfs/dbraw/zinc/75/04/02/362750402.db2.gz ZYLJXXZXRQDIME-AXFHLTTASA-N 2 2 232.318 2.091 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000580066567 346506954 /nfs/dbraw/zinc/50/69/54/346506954.db2.gz YRBWPDJUBICLPA-NEPJUHHUSA-N 2 2 239.388 2.147 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000641803540 362759703 /nfs/dbraw/zinc/75/97/03/362759703.db2.gz SRTQYYWRVKUSCF-NEPJUHHUSA-N 2 2 240.297 2.180 20 0 BEADLP Cc1cc(C[N@@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806402 362763963 /nfs/dbraw/zinc/76/39/63/362763963.db2.gz RQZBKVHLRBCZFM-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP Cc1cc(C[N@H+]2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])ccn1 ZINC000641806402 362763966 /nfs/dbraw/zinc/76/39/66/362763966.db2.gz RQZBKVHLRBCZFM-KYOSRNDESA-N 2 2 247.386 2.338 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cccnc2)[C@@H]1C ZINC000641807528 362764487 /nfs/dbraw/zinc/76/44/87/362764487.db2.gz KEXGLZOSCPLNSZ-BZPMIXESSA-N 2 2 233.359 2.029 20 0 BEADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cccnc2)[C@@H]1C ZINC000641807528 362764495 /nfs/dbraw/zinc/76/44/95/362764495.db2.gz KEXGLZOSCPLNSZ-BZPMIXESSA-N 2 2 233.359 2.029 20 0 BEADLP Cc1ncccc1C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809497 362766162 /nfs/dbraw/zinc/76/61/62/362766162.db2.gz QRXSWCIHEBFFKW-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP Cc1ncccc1C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809497 362766167 /nfs/dbraw/zinc/76/61/67/362766167.db2.gz QRXSWCIHEBFFKW-ZLDLUXBVSA-N 2 2 247.386 2.338 20 0 BEADLP CC[NH+]1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000164545662 346608653 /nfs/dbraw/zinc/60/86/53/346608653.db2.gz IOPXZDWQLKLXKA-UHFFFAOYSA-N 2 2 219.332 2.286 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000580153518 346567376 /nfs/dbraw/zinc/56/73/76/346567376.db2.gz QOTUHKJXHULFGK-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H](COC)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580153518 346567380 /nfs/dbraw/zinc/56/73/80/346567380.db2.gz QOTUHKJXHULFGK-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1cccc(NCC[N@@H+](C)C(C)C)[nH+]1 ZINC000054128115 179145480 /nfs/dbraw/zinc/14/54/80/179145480.db2.gz DREMGHSEEDIDHZ-UHFFFAOYSA-N 2 2 207.321 2.142 20 0 BEADLP Cc1cccc(NCC[N@H+](C)C(C)C)[nH+]1 ZINC000054128115 179145481 /nfs/dbraw/zinc/14/54/81/179145481.db2.gz DREMGHSEEDIDHZ-UHFFFAOYSA-N 2 2 207.321 2.142 20 0 BEADLP Cc1cccc(N[C@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000049235994 179156218 /nfs/dbraw/zinc/15/62/18/179156218.db2.gz SWLXITQTGIDTNY-LLVKDONJSA-N 2 2 216.288 2.087 20 0 BEADLP Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301564535 187371562 /nfs/dbraw/zinc/37/15/62/187371562.db2.gz JHFKXACJAILZKR-NEPJUHHUSA-N 2 2 234.347 2.070 20 0 BEADLP C[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000580657636 365852407 /nfs/dbraw/zinc/85/24/07/365852407.db2.gz SYYMLJOOXIUCDL-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000580657636 365852413 /nfs/dbraw/zinc/85/24/13/365852413.db2.gz SYYMLJOOXIUCDL-ZDUSSCGKSA-N 2 2 235.375 2.475 20 0 BEADLP Cc1cccc(N[C@H]2CCC[N@H+](C)[C@@H]2C)[nH+]1 ZINC000309503999 179157948 /nfs/dbraw/zinc/15/79/48/179157948.db2.gz VLRLTVMTGMEXDJ-NEPJUHHUSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1cccc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)[nH+]1 ZINC000309503999 179157949 /nfs/dbraw/zinc/15/79/49/179157949.db2.gz VLRLTVMTGMEXDJ-NEPJUHHUSA-N 2 2 219.332 2.285 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688379 346806805 /nfs/dbraw/zinc/80/68/05/346806805.db2.gz GQIUXJHTFIUHML-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378688379 346806808 /nfs/dbraw/zinc/80/68/08/346806808.db2.gz GQIUXJHTFIUHML-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004666 370655487 /nfs/dbraw/zinc/65/54/87/370655487.db2.gz SHDLVZOGITZRBL-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004666 370655489 /nfs/dbraw/zinc/65/54/89/370655489.db2.gz SHDLVZOGITZRBL-DZGCQCFKSA-N 2 2 248.345 2.447 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ncc(Cl)s1 ZINC000582062634 347160215 /nfs/dbraw/zinc/16/02/15/347160215.db2.gz SHHKDBJHBWNCOG-NKWVEPMBSA-N 2 2 233.768 2.012 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccsc1)C2 ZINC000622005673 370657153 /nfs/dbraw/zinc/65/71/53/370657153.db2.gz JKQTXZDTPHXOPA-NWDGAFQWSA-N 2 2 222.357 2.061 20 0 BEADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000622005673 370657155 /nfs/dbraw/zinc/65/71/55/370657155.db2.gz JKQTXZDTPHXOPA-NWDGAFQWSA-N 2 2 222.357 2.061 20 0 BEADLP CCC(F)(F)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000641821640 362772473 /nfs/dbraw/zinc/77/24/73/362772473.db2.gz NEPHSXFKSRWXJG-WDEREUQCSA-N 2 2 234.334 2.481 20 0 BEADLP CCC(F)(F)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000641821640 362772477 /nfs/dbraw/zinc/77/24/77/362772477.db2.gz NEPHSXFKSRWXJG-WDEREUQCSA-N 2 2 234.334 2.481 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250598259 362811801 /nfs/dbraw/zinc/81/18/01/362811801.db2.gz JHHZYWWNPKQDTE-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250598259 362811803 /nfs/dbraw/zinc/81/18/03/362811803.db2.gz JHHZYWWNPKQDTE-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP C[C@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000020127028 347354638 /nfs/dbraw/zinc/35/46/38/347354638.db2.gz ZKHKOKRUBODMCY-CQSZACIVSA-N 2 2 232.371 2.476 20 0 BEADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CC[NH+](C)C ZINC000019266305 347310037 /nfs/dbraw/zinc/31/00/37/347310037.db2.gz VSOZEDLIDKKJEG-VXGBXAGGSA-N 2 2 200.370 2.352 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@@H](C)C1CCCC1 ZINC000054077394 347436444 /nfs/dbraw/zinc/43/64/44/347436444.db2.gz LQYLQRFVAZMIOG-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CCc1nc(N[C@H]2CCC[N@@H+](CC)C2)cc(C)[nH+]1 ZINC000302519901 347576981 /nfs/dbraw/zinc/57/69/81/347576981.db2.gz OSQLSEGYWXFNHS-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP CCc1nc(N[C@H]2CCC[N@H+](CC)C2)cc(C)[nH+]1 ZINC000302519901 347576983 /nfs/dbraw/zinc/57/69/83/347576983.db2.gz OSQLSEGYWXFNHS-LBPRGKRZSA-N 2 2 248.374 2.244 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]CCC1CCCCC1 ZINC000159070015 347650681 /nfs/dbraw/zinc/65/06/81/347650681.db2.gz HDKKPNWEKZDBOY-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000061989162 179290936 /nfs/dbraw/zinc/29/09/36/179290936.db2.gz HNFBPYLOHAUOFT-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000061989162 179290940 /nfs/dbraw/zinc/29/09/40/179290940.db2.gz HNFBPYLOHAUOFT-DZGCQCFKSA-N 2 2 232.371 2.220 20 0 BEADLP CC(C)C[C@@H](C)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000368665014 187384261 /nfs/dbraw/zinc/38/42/61/187384261.db2.gz ABEOIYBKJQZBDG-GFCCVEGCSA-N 2 2 221.348 2.381 20 0 BEADLP CC(C)C[C@@H](C)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000368665014 187384263 /nfs/dbraw/zinc/38/42/63/187384263.db2.gz ABEOIYBKJQZBDG-GFCCVEGCSA-N 2 2 221.348 2.381 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000235530899 179337760 /nfs/dbraw/zinc/33/77/60/179337760.db2.gz GPOMRGYMJMZDEP-STQMWFEESA-N 2 2 218.344 2.398 20 0 BEADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000088162536 179339073 /nfs/dbraw/zinc/33/90/73/179339073.db2.gz NXILAOZYLQFMOZ-QWHCGFSZSA-N 2 2 218.344 2.398 20 0 BEADLP CC[C@@H](O)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354517699 347977953 /nfs/dbraw/zinc/97/79/53/347977953.db2.gz YMJCNOVYCIUCBB-CQSZACIVSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1[nH+]ccn1Cc1cn2cccc(C)c2[nH+]1 ZINC000111198075 179356114 /nfs/dbraw/zinc/35/61/14/179356114.db2.gz ZSINAJQLWCMIPK-UHFFFAOYSA-N 2 2 226.283 2.196 20 0 BEADLP CSCC1(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000594963603 348145915 /nfs/dbraw/zinc/14/59/15/348145915.db2.gz RWULWNYIQQEDSV-VXGBXAGGSA-N 2 2 242.432 2.059 20 0 BEADLP CSCC1(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000594963603 348145917 /nfs/dbraw/zinc/14/59/17/348145917.db2.gz RWULWNYIQQEDSV-VXGBXAGGSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@@H](CSCCF)[NH2+]CC(C)(C)[NH+](C)C ZINC000595005734 348157340 /nfs/dbraw/zinc/15/73/40/348157340.db2.gz DJCIYPZFGCXZFG-JTQLQIEISA-N 2 2 236.400 2.007 20 0 BEADLP C[C@H](CSCCF)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000595009841 348159976 /nfs/dbraw/zinc/15/99/76/348159976.db2.gz DQIQVNDWWIPJON-MNOVXSKESA-N 2 2 248.411 2.150 20 0 BEADLP C[C@H](CSCCF)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000595009841 348159981 /nfs/dbraw/zinc/15/99/81/348159981.db2.gz DQIQVNDWWIPJON-MNOVXSKESA-N 2 2 248.411 2.150 20 0 BEADLP CC[C@@H](CSC)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000597132438 348660779 /nfs/dbraw/zinc/66/07/79/348660779.db2.gz HQDUEQHNANWENZ-NSHDSACASA-N 2 2 241.404 2.302 20 0 BEADLP CC[C@@H](CSC)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000597132438 348660783 /nfs/dbraw/zinc/66/07/83/348660783.db2.gz HQDUEQHNANWENZ-NSHDSACASA-N 2 2 241.404 2.302 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCC2)[C@H](C)C1 ZINC000082857570 348850450 /nfs/dbraw/zinc/85/04/50/348850450.db2.gz SRLIAXABVISXIZ-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862727 348855678 /nfs/dbraw/zinc/85/56/78/348855678.db2.gz POPSZLQEKQDSCZ-VHSXEESVSA-N 2 2 238.297 2.259 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000070562819 323200161 /nfs/dbraw/zinc/20/01/61/323200161.db2.gz VMFMZGOCYJUGLC-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000070562819 323200162 /nfs/dbraw/zinc/20/01/62/323200162.db2.gz VMFMZGOCYJUGLC-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCCC13CC3)CCC2 ZINC000623825699 349086197 /nfs/dbraw/zinc/08/61/97/349086197.db2.gz JJTQXVHCOAXHFC-GFCCVEGCSA-N 2 2 245.370 2.499 20 0 BEADLP COC1([C@H](C)[NH2+]CC[NH+]2CCCC2)CCCC1 ZINC000421817628 192388852 /nfs/dbraw/zinc/38/88/52/192388852.db2.gz VXRZSAZUPHDMDK-ZDUSSCGKSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccncc1Cl ZINC000421800460 192384615 /nfs/dbraw/zinc/38/46/15/192384615.db2.gz HKJWEDKASGNYMW-JTQLQIEISA-N 2 2 241.766 2.337 20 0 BEADLP COC1([C@H](C)[NH2+]C[C@H](C)[NH+](C)C)CCCCC1 ZINC000421824170 192386875 /nfs/dbraw/zinc/38/68/75/192386875.db2.gz HJEMPFOCBCIBHF-STQMWFEESA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000249905240 349165532 /nfs/dbraw/zinc/16/55/32/349165532.db2.gz YBPBQUFGULXXQW-OLZOCXBDSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000249905240 349165535 /nfs/dbraw/zinc/16/55/35/349165535.db2.gz YBPBQUFGULXXQW-OLZOCXBDSA-N 2 2 210.365 2.393 20 0 BEADLP CC1=CC[C@H]([NH2+]CC[NH+]2CCCC2)CC1 ZINC000309128044 350078744 /nfs/dbraw/zinc/07/87/44/350078744.db2.gz QJJUOMKXYJLNCM-ZDUSSCGKSA-N 2 2 208.349 2.171 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@@H]2CCC[C@@H]21 ZINC000382333282 350109921 /nfs/dbraw/zinc/10/99/21/350109921.db2.gz XEUGTHICVOZFJU-DCAQKATOSA-N 2 2 232.318 2.104 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CC(C)(F)F)[C@@H]2CCC[C@@H]21 ZINC000382333282 350109923 /nfs/dbraw/zinc/10/99/23/350109923.db2.gz XEUGTHICVOZFJU-DCAQKATOSA-N 2 2 232.318 2.104 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304490234 350160291 /nfs/dbraw/zinc/16/02/91/350160291.db2.gz BSHMZEDMYZXZCZ-MJBXVCDLSA-N 2 2 222.376 2.251 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304556193 350163085 /nfs/dbraw/zinc/16/30/85/350163085.db2.gz KRPSYXSZWCOBNW-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304556193 350163087 /nfs/dbraw/zinc/16/30/87/350163087.db2.gz KRPSYXSZWCOBNW-IGQOVBAYSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C(C)(C)C ZINC000152631067 191071465 /nfs/dbraw/zinc/07/14/65/191071465.db2.gz BMAFJSAEMNIDOF-JTQLQIEISA-N 2 2 200.370 2.351 20 0 BEADLP Cc1nc(NC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC000266340719 180198924 /nfs/dbraw/zinc/19/89/24/180198924.db2.gz IDLUOSSCSLAZMK-UHFFFAOYSA-N 2 2 246.358 2.071 20 0 BEADLP Cc1nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)cc[nH+]1 ZINC000174921538 180206032 /nfs/dbraw/zinc/20/60/32/180206032.db2.gz BQPXMGJXPDAMLY-RYUDHWBXSA-N 2 2 234.347 2.070 20 0 BEADLP Cc1[nH+]cccc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226832451 180228169 /nfs/dbraw/zinc/22/81/69/180228169.db2.gz GHJCZCWODRTUHJ-JQWIXIFHSA-N 2 2 219.332 2.285 20 0 BEADLP Cc1[nH+]cccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226832451 180228171 /nfs/dbraw/zinc/22/81/71/180228171.db2.gz GHJCZCWODRTUHJ-JQWIXIFHSA-N 2 2 219.332 2.285 20 0 BEADLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)C[NH2+]1 ZINC000252150692 538079647 /nfs/dbraw/zinc/07/96/47/538079647.db2.gz MLNYXWZTLWUOFA-RNJOBUHISA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)C[NH2+]1 ZINC000252150692 538079650 /nfs/dbraw/zinc/07/96/50/538079650.db2.gz MLNYXWZTLWUOFA-RNJOBUHISA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1CC([NH2+][C@H]2CCC[N@H+](C)C2)C[C@H](C)C1 ZINC000252145550 538079704 /nfs/dbraw/zinc/07/97/04/538079704.db2.gz NVVXFAOZYWBBFG-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@H](C)C1 ZINC000252145550 538079705 /nfs/dbraw/zinc/07/97/05/538079705.db2.gz NVVXFAOZYWBBFG-UPJWGTAASA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336303056 180254325 /nfs/dbraw/zinc/25/43/25/180254325.db2.gz WTEZCQRNVWBOBD-JTQLQIEISA-N 2 2 243.301 2.169 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000336303056 180254326 /nfs/dbraw/zinc/25/43/26/180254326.db2.gz WTEZCQRNVWBOBD-JTQLQIEISA-N 2 2 243.301 2.169 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086725157 490417064 /nfs/dbraw/zinc/41/70/64/490417064.db2.gz GNJJLOWUXNZQIM-CABZTGNLSA-N 2 2 224.735 2.353 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252214265 538085912 /nfs/dbraw/zinc/08/59/12/538085912.db2.gz XFNYCVJQODUTLV-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252214265 538085917 /nfs/dbraw/zinc/08/59/17/538085917.db2.gz XFNYCVJQODUTLV-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427870911 191098069 /nfs/dbraw/zinc/09/80/69/191098069.db2.gz HCQSMJHCZZAHTE-AGIUHOORSA-N 2 2 233.359 2.366 20 0 BEADLP Cc1ncsc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000071213745 180320680 /nfs/dbraw/zinc/32/06/80/180320680.db2.gz PHPJQGSCRGLREG-GFCCVEGCSA-N 2 2 247.367 2.241 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](OC)C1)C1CC1 ZINC000300514466 490564882 /nfs/dbraw/zinc/56/48/82/490564882.db2.gz HECFJNHCCBHNAF-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](OC)C1)C1CC1 ZINC000300514466 490564887 /nfs/dbraw/zinc/56/48/87/490564887.db2.gz HECFJNHCCBHNAF-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP CSCCC[N@H+](C)CC[NH2+]C(C)(C)C ZINC000163049888 350498129 /nfs/dbraw/zinc/49/81/29/350498129.db2.gz SCKVWTWLSWMGMX-UHFFFAOYSA-N 2 2 218.410 2.059 20 0 BEADLP CSCCC[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000163049888 350498132 /nfs/dbraw/zinc/49/81/32/350498132.db2.gz SCKVWTWLSWMGMX-UHFFFAOYSA-N 2 2 218.410 2.059 20 0 BEADLP Cc1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000092349792 362968681 /nfs/dbraw/zinc/96/86/81/362968681.db2.gz CYZJRBWVDGWTGJ-LBPRGKRZSA-N 2 2 247.342 2.108 20 0 BEADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(C)C ZINC000019919334 350852560 /nfs/dbraw/zinc/85/25/60/350852560.db2.gz HDIPZTDCWSYTBZ-GFCCVEGCSA-N 2 2 200.370 2.352 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000336677872 350887463 /nfs/dbraw/zinc/88/74/63/350887463.db2.gz CCIOURCLDOOMOZ-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000336677872 350887465 /nfs/dbraw/zinc/88/74/65/350887465.db2.gz CCIOURCLDOOMOZ-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000252711139 538099868 /nfs/dbraw/zinc/09/98/68/538099868.db2.gz IQSAQDPZYMVFKO-OBJOEFQTSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000252711139 538099869 /nfs/dbraw/zinc/09/98/69/538099869.db2.gz IQSAQDPZYMVFKO-OBJOEFQTSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336727864 351547022 /nfs/dbraw/zinc/54/70/22/351547022.db2.gz GXIBLKKTYONVOZ-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336727864 351547027 /nfs/dbraw/zinc/54/70/27/351547027.db2.gz GXIBLKKTYONVOZ-MQYQWHSLSA-N 2 2 224.392 2.495 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337990320 191140970 /nfs/dbraw/zinc/14/09/70/191140970.db2.gz BDZWLFNQBPWEIO-QEJZJMRPSA-N 2 2 234.387 2.391 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000337990320 191140973 /nfs/dbraw/zinc/14/09/73/191140973.db2.gz BDZWLFNQBPWEIO-QEJZJMRPSA-N 2 2 234.387 2.391 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000252196269 535167604 /nfs/dbraw/zinc/16/76/04/535167604.db2.gz SKBLASTUPTVFOX-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000252196269 535167609 /nfs/dbraw/zinc/16/76/09/535167609.db2.gz SKBLASTUPTVFOX-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)sn1 ZINC000637983565 351858273 /nfs/dbraw/zinc/85/82/73/351858273.db2.gz PVKSGUJDYAJTFI-UHFFFAOYSA-N 2 2 248.355 2.177 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1CC12CC2 ZINC000527856010 323710324 /nfs/dbraw/zinc/71/03/24/323710324.db2.gz ZPCZODSIHYGDLP-KBPBESRZSA-N 2 2 236.403 2.497 20 0 BEADLP CC(C)C[C@H](C[NH2+]CCC[C@@H]1CCO1)[NH+](C)C ZINC000638348915 352165898 /nfs/dbraw/zinc/16/58/98/352165898.db2.gz DIGPGUZKZZQYCZ-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC[C@@H]1CCO1 ZINC000638355943 352168439 /nfs/dbraw/zinc/16/84/39/352168439.db2.gz SUYNBLJYWKTVRA-UONOGXRCSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC[C@@H]1CCO1 ZINC000638355944 352168523 /nfs/dbraw/zinc/16/85/23/352168523.db2.gz SUYNBLJYWKTVRA-ZIAGYGMSSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccncc1 ZINC000037157803 358468398 /nfs/dbraw/zinc/46/83/98/358468398.db2.gz OIPISVNFWPDSNP-NEPJUHHUSA-N 2 2 230.315 2.017 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362697 352173207 /nfs/dbraw/zinc/17/32/07/352173207.db2.gz CJRFKPSAJYQSBH-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CS1 ZINC000638362697 352173209 /nfs/dbraw/zinc/17/32/09/352173209.db2.gz CJRFKPSAJYQSBH-AGIUHOORSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638364186 352177136 /nfs/dbraw/zinc/17/71/36/352177136.db2.gz WULHWVXVUCFVCY-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638364186 352177138 /nfs/dbraw/zinc/17/71/38/352177138.db2.gz WULHWVXVUCFVCY-XQLPTFJDSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1CC1(F)F ZINC000638364210 352177185 /nfs/dbraw/zinc/17/71/85/352177185.db2.gz XLMHURLVQKBELY-RYUDHWBXSA-N 2 2 246.345 2.352 20 0 BEADLP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000638443373 352253196 /nfs/dbraw/zinc/25/31/96/352253196.db2.gz LUDBUAFGKBJJAW-CYBMUJFWSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cccc(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000638443373 352253198 /nfs/dbraw/zinc/25/31/98/352253198.db2.gz LUDBUAFGKBJJAW-CYBMUJFWSA-N 2 2 248.370 2.187 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000044535251 352352024 /nfs/dbraw/zinc/35/20/24/352352024.db2.gz RJOQMJCTPDCGOP-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000044535251 352352027 /nfs/dbraw/zinc/35/20/27/352352027.db2.gz RJOQMJCTPDCGOP-LBPRGKRZSA-N 2 2 222.332 2.019 20 0 BEADLP C([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582507 352413566 /nfs/dbraw/zinc/41/35/66/352413566.db2.gz PBOYNYHRGHNYQG-XUWVNRHRSA-N 2 2 248.414 2.497 20 0 BEADLP C([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638582507 352413569 /nfs/dbraw/zinc/41/35/69/352413569.db2.gz PBOYNYHRGHNYQG-XUWVNRHRSA-N 2 2 248.414 2.497 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000638603046 352439136 /nfs/dbraw/zinc/43/91/36/352439136.db2.gz GXXJAOTWFCXGIH-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000638603046 352439141 /nfs/dbraw/zinc/43/91/41/352439141.db2.gz GXXJAOTWFCXGIH-JHJVBQTASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000415000373 352465579 /nfs/dbraw/zinc/46/55/79/352465579.db2.gz XADUOODFXOIFFO-VWYCJHECSA-N 2 2 234.334 2.385 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCCF)C1 ZINC000367133765 180757994 /nfs/dbraw/zinc/75/79/94/180757994.db2.gz PXFIDQDOOWWCLJ-LBPRGKRZSA-N 2 2 239.338 2.349 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCCF)C1 ZINC000367133765 180757996 /nfs/dbraw/zinc/75/79/96/180757996.db2.gz PXFIDQDOOWWCLJ-LBPRGKRZSA-N 2 2 239.338 2.349 20 0 BEADLP CCOc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027992 352599986 /nfs/dbraw/zinc/59/99/86/352599986.db2.gz UXZQPUCAMFDEQE-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP CCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000041027992 352599989 /nfs/dbraw/zinc/59/99/89/352599989.db2.gz UXZQPUCAMFDEQE-ZDUSSCGKSA-N 2 2 234.343 2.008 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000043324478 352636267 /nfs/dbraw/zinc/63/62/67/352636267.db2.gz OEZDULNIQNOYTN-GWCFXTLKSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000043324955 352636335 /nfs/dbraw/zinc/63/63/35/352636335.db2.gz WXGBUUFJXVQAJR-ZWNOBZJWSA-N 2 2 222.307 2.228 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000043325962 352636356 /nfs/dbraw/zinc/63/63/56/352636356.db2.gz PXKLFHJFJWNKAF-MWLCHTKSSA-N 2 2 240.297 2.367 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043326738 352637512 /nfs/dbraw/zinc/63/75/12/352637512.db2.gz VZJFADGTFMELPP-GXTWGEPZSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000638759247 352690724 /nfs/dbraw/zinc/69/07/24/352690724.db2.gz JDMGUNXMFKHWDT-RGDJUOJXSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C[N@H+]1C1CC1 ZINC000638759247 352690725 /nfs/dbraw/zinc/69/07/25/352690725.db2.gz JDMGUNXMFKHWDT-RGDJUOJXSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]1CC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000412035563 191248143 /nfs/dbraw/zinc/24/81/43/191248143.db2.gz GAIDHJFMZNLELV-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H]1CC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000412035563 191248146 /nfs/dbraw/zinc/24/81/46/191248146.db2.gz GAIDHJFMZNLELV-LBPRGKRZSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000334192769 352784244 /nfs/dbraw/zinc/78/42/44/352784244.db2.gz JQFCCRBHAUPEAK-ZYHUDNBSSA-N 2 2 233.359 2.435 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000334192769 352784248 /nfs/dbraw/zinc/78/42/48/352784248.db2.gz JQFCCRBHAUPEAK-ZYHUDNBSSA-N 2 2 233.359 2.435 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000336747452 352898906 /nfs/dbraw/zinc/89/89/06/352898906.db2.gz BULWCIAZVYIGNB-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000336747452 352898913 /nfs/dbraw/zinc/89/89/13/352898913.db2.gz BULWCIAZVYIGNB-NSHDSACASA-N 2 2 210.365 2.249 20 0 BEADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC13CCC3)CC2 ZINC000334328385 352965030 /nfs/dbraw/zinc/96/50/30/352965030.db2.gz MUQXJGMFOBMGCQ-RYUDHWBXSA-N 2 2 231.343 2.120 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332579 352969625 /nfs/dbraw/zinc/96/96/25/352969625.db2.gz QWSQHGPUIAQFCR-TVQRCGJNSA-N 2 2 240.297 2.005 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000334332579 352969627 /nfs/dbraw/zinc/96/96/27/352969627.db2.gz QWSQHGPUIAQFCR-TVQRCGJNSA-N 2 2 240.297 2.005 20 0 BEADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000261583511 535196998 /nfs/dbraw/zinc/19/69/98/535196998.db2.gz PATCDMQALBHRGF-LLVKDONJSA-N 2 2 212.381 2.482 20 0 BEADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000261583511 535197002 /nfs/dbraw/zinc/19/70/02/535197002.db2.gz PATCDMQALBHRGF-LLVKDONJSA-N 2 2 212.381 2.482 20 0 BEADLP c1ccc(NCCC[NH2+]CCC[C@H]2CCO2)[nH+]c1 ZINC000638873975 353044290 /nfs/dbraw/zinc/04/42/90/353044290.db2.gz OGIFMOOQALHELM-ZDUSSCGKSA-N 2 2 249.358 2.042 20 0 BEADLP CC(C)C[C@H](C[NH2+]C1CCSCC1)[NH+](C)C ZINC000035234384 188060575 /nfs/dbraw/zinc/06/05/75/188060575.db2.gz KLBXISBHZKSRKY-CYBMUJFWSA-N 2 2 244.448 2.448 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044685254 188084923 /nfs/dbraw/zinc/08/49/23/188084923.db2.gz AKXNTNSTZZZTIM-CHWSQXEVSA-N 2 2 220.360 2.169 20 0 BEADLP C1=CC[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044685254 188084924 /nfs/dbraw/zinc/08/49/24/188084924.db2.gz AKXNTNSTZZZTIM-CHWSQXEVSA-N 2 2 220.360 2.169 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCc1ccco1 ZINC000037158349 188113162 /nfs/dbraw/zinc/11/31/62/188113162.db2.gz ROQMYRJVESLELF-QWHCGFSZSA-N 2 2 247.342 2.476 20 0 BEADLP CC(C)[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767262 188145438 /nfs/dbraw/zinc/14/54/38/188145438.db2.gz DGNVMIZNWVAYPV-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000310042475 538111118 /nfs/dbraw/zinc/11/11/18/538111118.db2.gz ZKXRPKBMTVSEMX-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000310042475 538111119 /nfs/dbraw/zinc/11/11/19/538111119.db2.gz ZKXRPKBMTVSEMX-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccc([C@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000104362766 188151435 /nfs/dbraw/zinc/15/14/35/188151435.db2.gz NTPVAIZWPBJVSG-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000104362766 188151436 /nfs/dbraw/zinc/15/14/36/188151436.db2.gz NTPVAIZWPBJVSG-GXTWGEPZSA-N 2 2 248.370 2.440 20 0 BEADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000309532320 188168186 /nfs/dbraw/zinc/16/81/86/188168186.db2.gz BYTGDXFWYSKKEA-OLZOCXBDSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000309776186 188169588 /nfs/dbraw/zinc/16/95/88/188169588.db2.gz LSHAWKZQHUDECS-GHMZBOCLSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000309776186 188169589 /nfs/dbraw/zinc/16/95/89/188169589.db2.gz LSHAWKZQHUDECS-GHMZBOCLSA-N 2 2 222.376 2.390 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336755961 188171578 /nfs/dbraw/zinc/17/15/78/188171578.db2.gz JCURRPOCHQTJCC-RYUDHWBXSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336755961 188171579 /nfs/dbraw/zinc/17/15/79/188171579.db2.gz JCURRPOCHQTJCC-RYUDHWBXSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1nc(N(CC[NH+](C)C)C2CCCC2)cc[nH+]1 ZINC000339968979 188193559 /nfs/dbraw/zinc/19/35/59/188193559.db2.gz KELMQFFWTMMMNQ-UHFFFAOYSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1ccncc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271674607 188198937 /nfs/dbraw/zinc/19/89/37/188198937.db2.gz IVTRRQJHZSNLSV-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP Cc1ccncc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271674607 188198939 /nfs/dbraw/zinc/19/89/39/188198939.db2.gz IVTRRQJHZSNLSV-UHFFFAOYSA-N 2 2 244.342 2.109 20 0 BEADLP C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000020125702 188175759 /nfs/dbraw/zinc/17/57/59/188175759.db2.gz FWGYAPDMJVVEQX-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000336767451 353272123 /nfs/dbraw/zinc/27/21/23/353272123.db2.gz SLDAGQXHQMOPOE-VXGBXAGGSA-N 2 2 207.321 2.051 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)[nH]1 ZINC000276494055 188201727 /nfs/dbraw/zinc/20/17/27/188201727.db2.gz WDDTUZQHPHTPFW-CHWSQXEVSA-N 2 2 247.342 2.282 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)[nH]1 ZINC000276494055 188201729 /nfs/dbraw/zinc/20/17/29/188201729.db2.gz WDDTUZQHPHTPFW-CHWSQXEVSA-N 2 2 247.342 2.282 20 0 BEADLP F[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000334502592 353342682 /nfs/dbraw/zinc/34/26/82/353342682.db2.gz FIFADGXPSAVRSQ-MNOVXSKESA-N 2 2 233.290 2.315 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cncc(Cl)c1 ZINC000307976561 353374110 /nfs/dbraw/zinc/37/41/10/353374110.db2.gz LQGVFQSZJCFLOU-LBPRGKRZSA-N 2 2 241.766 2.198 20 0 BEADLP CCC(C)(C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000514781795 324112717 /nfs/dbraw/zinc/11/27/17/324112717.db2.gz KHUAEOFJZXTDDD-LLVKDONJSA-N 2 2 223.364 2.377 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000227200051 363230507 /nfs/dbraw/zinc/23/05/07/363230507.db2.gz UFUFZVISLQRVLU-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000227200051 363230510 /nfs/dbraw/zinc/23/05/10/363230510.db2.gz UFUFZVISLQRVLU-UPJWGTAASA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(OC)cc1 ZINC000094079771 353508328 /nfs/dbraw/zinc/50/83/28/353508328.db2.gz LEBMROIMFQNLAZ-GXTWGEPZSA-N 2 2 234.343 2.098 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343306097 353525470 /nfs/dbraw/zinc/52/54/70/353525470.db2.gz UPDMOSXZSHPAFQ-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP CC[C@H]1C[C@@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000343306097 353525472 /nfs/dbraw/zinc/52/54/72/353525472.db2.gz UPDMOSXZSHPAFQ-OLZOCXBDSA-N 2 2 221.348 2.394 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336778775 353525732 /nfs/dbraw/zinc/52/57/32/353525732.db2.gz MHKKHJVZPWJSIJ-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336778775 353525737 /nfs/dbraw/zinc/52/57/37/353525737.db2.gz MHKKHJVZPWJSIJ-STQMWFEESA-N 2 2 242.432 2.204 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)Cn1cc[nH+]c1 ZINC000165735729 353591974 /nfs/dbraw/zinc/59/19/74/353591974.db2.gz HTUYIGLQPQNNLR-FRRDWIJNSA-N 2 2 221.348 2.297 20 0 BEADLP Cc1csc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231463378 353605682 /nfs/dbraw/zinc/60/56/82/353605682.db2.gz YBAJZUSSAGJZKI-LLVKDONJSA-N 2 2 239.388 2.025 20 0 BEADLP Cc1csc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231463378 353605685 /nfs/dbraw/zinc/60/56/85/353605685.db2.gz YBAJZUSSAGJZKI-LLVKDONJSA-N 2 2 239.388 2.025 20 0 BEADLP CC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343318106 353664836 /nfs/dbraw/zinc/66/48/36/353664836.db2.gz WQKWZXVABYJYNA-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP CC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343318106 353664838 /nfs/dbraw/zinc/66/48/38/353664838.db2.gz WQKWZXVABYJYNA-GFCCVEGCSA-N 2 2 207.321 2.148 20 0 BEADLP c1cn(CCC[NH+](CC2CC2)CC2CC2)c[nH+]1 ZINC000343327286 353723749 /nfs/dbraw/zinc/72/37/49/353723749.db2.gz UIMBTLAISVIMJV-UHFFFAOYSA-N 2 2 233.359 2.395 20 0 BEADLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528396505 324220430 /nfs/dbraw/zinc/22/04/30/324220430.db2.gz IEPCQZHTWCRWDB-DKRCXCIFSA-N 2 2 230.783 2.403 20 0 BEADLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528396505 324220433 /nfs/dbraw/zinc/22/04/33/324220433.db2.gz IEPCQZHTWCRWDB-DKRCXCIFSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528396505 324220435 /nfs/dbraw/zinc/22/04/35/324220435.db2.gz IEPCQZHTWCRWDB-DKRCXCIFSA-N 2 2 230.783 2.403 20 0 BEADLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528396505 324220438 /nfs/dbraw/zinc/22/04/38/324220438.db2.gz IEPCQZHTWCRWDB-DKRCXCIFSA-N 2 2 230.783 2.403 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)CS1 ZINC000336654923 188521726 /nfs/dbraw/zinc/52/17/26/188521726.db2.gz GZLLXKWLWQNOCJ-OLZOCXBDSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C[C@H](C)C1 ZINC000334520527 353884265 /nfs/dbraw/zinc/88/42/65/353884265.db2.gz ZTUFVGXSTJGURJ-QWHCGFSZSA-N 2 2 235.375 2.331 20 0 BEADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C[C@H](C)C1 ZINC000334520527 353884267 /nfs/dbraw/zinc/88/42/67/353884267.db2.gz ZTUFVGXSTJGURJ-QWHCGFSZSA-N 2 2 235.375 2.331 20 0 BEADLP C[NH+](C)CC1([NH2+]CC2CCSCC2)CCC1 ZINC000639135582 353844993 /nfs/dbraw/zinc/84/49/93/353844993.db2.gz VYOBZNSLUXERRV-UHFFFAOYSA-N 2 2 242.432 2.204 20 0 BEADLP Cc1nc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000343531019 353929372 /nfs/dbraw/zinc/92/93/72/353929372.db2.gz PUVTYQZWRYAFAT-DGCLKSJQSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000343531019 353929374 /nfs/dbraw/zinc/92/93/74/353929374.db2.gz PUVTYQZWRYAFAT-DGCLKSJQSA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000343531024 353929688 /nfs/dbraw/zinc/92/96/88/353929688.db2.gz PUVTYQZWRYAFAT-YPMHNXCESA-N 2 2 248.374 2.296 20 0 BEADLP Cc1nc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000343531024 353929689 /nfs/dbraw/zinc/92/96/89/353929689.db2.gz PUVTYQZWRYAFAT-YPMHNXCESA-N 2 2 248.374 2.296 20 0 BEADLP C[C@H](C1CCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343584231 353939666 /nfs/dbraw/zinc/93/96/66/353939666.db2.gz NFCYCMANOCVFDH-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@H](C1CCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343584231 353939668 /nfs/dbraw/zinc/93/96/68/353939668.db2.gz NFCYCMANOCVFDH-GFCCVEGCSA-N 2 2 221.348 2.394 20 0 BEADLP C[C@@H]1CCCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000334547073 353985034 /nfs/dbraw/zinc/98/50/34/353985034.db2.gz CTLFOZNXRYOXCW-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP C[C@@H]1CCCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000334547073 353985037 /nfs/dbraw/zinc/98/50/37/353985037.db2.gz CTLFOZNXRYOXCW-GFCCVEGCSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000639165508 353992279 /nfs/dbraw/zinc/99/22/79/353992279.db2.gz KVDFZJBEBCFTQL-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000639165508 353992282 /nfs/dbraw/zinc/99/22/82/353992282.db2.gz KVDFZJBEBCFTQL-UONOGXRCSA-N 2 2 242.407 2.266 20 0 BEADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)CC12CCC2 ZINC000334560049 354111358 /nfs/dbraw/zinc/11/13/58/354111358.db2.gz JLZXOPQDVXSFEF-CYBMUJFWSA-N 2 2 247.386 2.475 20 0 BEADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC12CCC2 ZINC000334560049 354111361 /nfs/dbraw/zinc/11/13/61/354111361.db2.gz JLZXOPQDVXSFEF-CYBMUJFWSA-N 2 2 247.386 2.475 20 0 BEADLP CCC1(CC)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C[C@H]1OC ZINC000344164168 354168908 /nfs/dbraw/zinc/16/89/08/354168908.db2.gz IIJUTXOOFQVUTP-JHJVBQTASA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)C1CCC1 ZINC000449738467 202015079 /nfs/dbraw/zinc/01/50/79/202015079.db2.gz CBBREGHDBIQUKY-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000449740494 202015804 /nfs/dbraw/zinc/01/58/04/202015804.db2.gz GTDAFAFCFYNBTC-ZRQNBYAXSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000449740494 202015809 /nfs/dbraw/zinc/01/58/09/202015809.db2.gz GTDAFAFCFYNBTC-ZRQNBYAXSA-N 2 2 234.387 2.247 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000334586451 354211605 /nfs/dbraw/zinc/21/16/05/354211605.db2.gz UJSJJAUDPSXVFH-KGLIPLIRSA-N 2 2 247.386 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000334586451 354211606 /nfs/dbraw/zinc/21/16/06/354211606.db2.gz UJSJJAUDPSXVFH-KGLIPLIRSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000344346097 354237957 /nfs/dbraw/zinc/23/79/57/354237957.db2.gz GDAKOBYZJQGANE-XNRPHZJLSA-N 2 2 244.382 2.256 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000344346097 354237961 /nfs/dbraw/zinc/23/79/61/354237961.db2.gz GDAKOBYZJQGANE-XNRPHZJLSA-N 2 2 244.382 2.256 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1c(C)nn(C)c1C ZINC000344754535 354350994 /nfs/dbraw/zinc/35/09/94/354350994.db2.gz BFMHFKFFUGPZFA-LBPRGKRZSA-N 2 2 247.346 2.001 20 0 BEADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000334700054 354492958 /nfs/dbraw/zinc/49/29/58/354492958.db2.gz ZKILXUVQUFDVTJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000334700054 354492959 /nfs/dbraw/zinc/49/29/59/354492959.db2.gz ZKILXUVQUFDVTJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000334700054 354492960 /nfs/dbraw/zinc/49/29/60/354492960.db2.gz ZKILXUVQUFDVTJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000334700054 354492961 /nfs/dbraw/zinc/49/29/61/354492961.db2.gz ZKILXUVQUFDVTJ-DZGCQCFKSA-N 2 2 247.386 2.305 20 0 BEADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)[NH+]1CCCC1 ZINC000346468355 354954162 /nfs/dbraw/zinc/95/41/62/354954162.db2.gz AISDELLJPJYLDX-MGPQQGTHSA-N 2 2 240.391 2.018 20 0 BEADLP c1c[nH+]c(C2CC[NH+](CC[C@H]3CCCO3)CC2)[nH]1 ZINC000346499073 354961568 /nfs/dbraw/zinc/96/15/68/354961568.db2.gz NYUMZBXYMHKMIN-CYBMUJFWSA-N 2 2 249.358 2.158 20 0 BEADLP CC[C@@H](C[N@@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000346630509 354998436 /nfs/dbraw/zinc/99/84/36/354998436.db2.gz CLDZJTRIGSSGCV-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@@H](C[N@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000346630509 354998438 /nfs/dbraw/zinc/99/84/38/354998438.db2.gz CLDZJTRIGSSGCV-ZFWWWQNUSA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@H](C[N@@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000346630508 354998457 /nfs/dbraw/zinc/99/84/57/354998457.db2.gz CLDZJTRIGSSGCV-UKRRQHHQSA-N 2 2 232.371 2.474 20 0 BEADLP CC[C@H](C[N@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000346630508 354998458 /nfs/dbraw/zinc/99/84/58/354998458.db2.gz CLDZJTRIGSSGCV-UKRRQHHQSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000346632861 355013595 /nfs/dbraw/zinc/01/35/95/355013595.db2.gz FJCSOFATBRYBSS-GXTWGEPZSA-N 2 2 248.370 2.092 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000346632861 355013597 /nfs/dbraw/zinc/01/35/97/355013597.db2.gz FJCSOFATBRYBSS-GXTWGEPZSA-N 2 2 248.370 2.092 20 0 BEADLP Cc1nocc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000639227432 355070011 /nfs/dbraw/zinc/07/00/11/355070011.db2.gz MTUSAOGRSVEUSK-UHFFFAOYSA-N 2 2 245.326 2.409 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335229745 355072372 /nfs/dbraw/zinc/07/23/72/355072372.db2.gz SIQYXJXTDDWFTE-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP CC[C@@H](F)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335229745 355072374 /nfs/dbraw/zinc/07/23/74/355072374.db2.gz SIQYXJXTDDWFTE-GFCCVEGCSA-N 2 2 228.355 2.295 20 0 BEADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335182462 355080533 /nfs/dbraw/zinc/08/05/33/355080533.db2.gz UFMNLUMNYJSTNL-SWLSCSKDSA-N 2 2 245.370 2.275 20 0 BEADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335218981 355057796 /nfs/dbraw/zinc/05/77/96/355057796.db2.gz SNUUBNNJQKODTA-IUODEOHRSA-N 2 2 246.354 2.024 20 0 BEADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000335218980 355057881 /nfs/dbraw/zinc/05/78/81/355057881.db2.gz SNUUBNNJQKODTA-DOMZBBRYSA-N 2 2 246.354 2.024 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346785480 355115640 /nfs/dbraw/zinc/11/56/40/355115640.db2.gz CWIFZRSTOSJYRT-MGPQQGTHSA-N 2 2 242.407 2.264 20 0 BEADLP CCCC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346785480 355115643 /nfs/dbraw/zinc/11/56/43/355115643.db2.gz CWIFZRSTOSJYRT-MGPQQGTHSA-N 2 2 242.407 2.264 20 0 BEADLP Cc1oncc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000335244807 355159070 /nfs/dbraw/zinc/15/90/70/355159070.db2.gz ACPXDZQVNKWKHP-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1oncc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000335244807 355159074 /nfs/dbraw/zinc/15/90/74/355159074.db2.gz ACPXDZQVNKWKHP-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP CCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000347613566 355235596 /nfs/dbraw/zinc/23/55/96/355235596.db2.gz OSZWJBPCRGXUDO-UHFFFAOYSA-N 2 2 247.386 2.170 20 0 BEADLP Cc1ccc(CCNc2cc[nH+]c(C)c2)[nH+]c1 ZINC000413353812 191373635 /nfs/dbraw/zinc/37/36/35/191373635.db2.gz PUEYALDHNDJQJA-UHFFFAOYSA-N 2 2 227.311 2.170 20 0 BEADLP CCCc1csc(C[NH2+]C[C@@H]([NH3+])C(C)C)n1 ZINC000414796162 191570688 /nfs/dbraw/zinc/57/06/88/191570688.db2.gz NRWBLFBZRYIFTP-LLVKDONJSA-N 2 2 241.404 2.169 20 0 BEADLP CC[NH2+]CC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414821022 191584014 /nfs/dbraw/zinc/58/40/14/191584014.db2.gz DOLCYPSXZBJRSF-ONEGZZNKSA-N 2 2 240.297 2.177 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414859855 191602711 /nfs/dbraw/zinc/60/27/11/191602711.db2.gz BOPFMNAONJLODH-OAHLLOKOSA-N 2 2 232.371 2.481 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000414861773 191605210 /nfs/dbraw/zinc/60/52/10/191605210.db2.gz GHSLVTSSHLTMNY-JTQLQIEISA-N 2 2 239.388 2.108 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CS1 ZINC000639302107 355645179 /nfs/dbraw/zinc/64/51/79/355645179.db2.gz CELCCVYDWWCGGZ-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CS1 ZINC000639302107 355645183 /nfs/dbraw/zinc/64/51/83/355645183.db2.gz CELCCVYDWWCGGZ-IJLUTSLNSA-N 2 2 242.432 2.343 20 0 BEADLP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)OC ZINC000639302505 355648205 /nfs/dbraw/zinc/64/82/05/355648205.db2.gz GZPGYAIRESLXGW-OCCSQVGLSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)OC ZINC000639302505 355648208 /nfs/dbraw/zinc/64/82/08/355648208.db2.gz GZPGYAIRESLXGW-OCCSQVGLSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC1(F)F ZINC000639302787 355650462 /nfs/dbraw/zinc/65/04/62/355650462.db2.gz ITPPYNBYSDEHCR-AXFHLTTASA-N 2 2 246.345 2.493 20 0 BEADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CC1(F)F ZINC000639302787 355650465 /nfs/dbraw/zinc/65/04/65/355650465.db2.gz ITPPYNBYSDEHCR-AXFHLTTASA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639304415 355659061 /nfs/dbraw/zinc/65/90/61/355659061.db2.gz ZKOHDSITLFJZJF-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639304415 355659064 /nfs/dbraw/zinc/65/90/64/355659064.db2.gz ZKOHDSITLFJZJF-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000582189535 355693586 /nfs/dbraw/zinc/69/35/86/355693586.db2.gz SPNYSLWXXBUMDC-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP C[C@@H]1CCCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000582189535 355693587 /nfs/dbraw/zinc/69/35/87/355693587.db2.gz SPNYSLWXXBUMDC-CYBMUJFWSA-N 2 2 235.375 2.475 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000639331457 355749675 /nfs/dbraw/zinc/74/96/75/355749675.db2.gz YKMGYTCWEPJROZ-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000639331457 355749679 /nfs/dbraw/zinc/74/96/79/355749679.db2.gz YKMGYTCWEPJROZ-VWYCJHECSA-N 2 2 232.318 2.104 20 0 BEADLP CC(C)=CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000191627167 355754382 /nfs/dbraw/zinc/75/43/82/355754382.db2.gz BDQYFTLOIIKSHG-UHFFFAOYSA-N 2 2 215.300 2.390 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000399131350 355759778 /nfs/dbraw/zinc/75/97/78/355759778.db2.gz XKMCGMNPTGPHCU-TYNCELHUSA-N 2 2 243.354 2.349 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(F)cccc1F ZINC000216042008 355801834 /nfs/dbraw/zinc/80/18/34/355801834.db2.gz SKDAFQQLRFDGGE-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(F)cccc1F ZINC000216042008 355801837 /nfs/dbraw/zinc/80/18/37/355801837.db2.gz SKDAFQQLRFDGGE-ZJUUUORDSA-N 2 2 240.297 2.134 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639354198 355804057 /nfs/dbraw/zinc/80/40/57/355804057.db2.gz DXQBDRPNFFPWDR-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639354198 355804059 /nfs/dbraw/zinc/80/40/59/355804059.db2.gz DXQBDRPNFFPWDR-RQJABVFESA-N 2 2 222.376 2.106 20 0 BEADLP c1cn([C@H]2CCC[N@@H+](CCC3CC3)C2)c[nH+]1 ZINC000608494996 355820852 /nfs/dbraw/zinc/82/08/52/355820852.db2.gz DUICCWSNEYRHIM-ZDUSSCGKSA-N 2 2 219.332 2.320 20 0 BEADLP c1cn([C@H]2CCC[N@H+](CCC3CC3)C2)c[nH+]1 ZINC000608494996 355820854 /nfs/dbraw/zinc/82/08/54/355820854.db2.gz DUICCWSNEYRHIM-ZDUSSCGKSA-N 2 2 219.332 2.320 20 0 BEADLP [NH3+][C@H](C[NH2+]Cc1ccsc1Cl)C1CC1 ZINC000399375934 355867708 /nfs/dbraw/zinc/86/77/08/355867708.db2.gz URBOKCBBUXRZPO-SECBINFHSA-N 2 2 230.764 2.228 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccsc1Cl)C1CC1 ZINC000399375936 355867917 /nfs/dbraw/zinc/86/79/17/355867917.db2.gz URBOKCBBUXRZPO-VIFPVBQESA-N 2 2 230.764 2.228 20 0 BEADLP CCC1([NH+](C)C)CC[NH+](Cc2ccn(C)c2)CC1 ZINC000639380403 355918548 /nfs/dbraw/zinc/91/85/48/355918548.db2.gz YMKPHZYIJFGFIE-UHFFFAOYSA-N 2 2 249.402 2.331 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391193 355981793 /nfs/dbraw/zinc/98/17/93/355981793.db2.gz QJJINPRCAGQNNX-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391193 355981798 /nfs/dbraw/zinc/98/17/98/355981798.db2.gz QJJINPRCAGQNNX-NWDGAFQWSA-N 2 2 212.381 2.352 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[NH2+]CC2)s1 ZINC000019503447 355993050 /nfs/dbraw/zinc/99/30/50/355993050.db2.gz OEJKVIIGVGDCAA-UHFFFAOYSA-N 2 2 224.373 2.106 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[NH2+]CC2)s1 ZINC000019503447 355993054 /nfs/dbraw/zinc/99/30/54/355993054.db2.gz OEJKVIIGVGDCAA-UHFFFAOYSA-N 2 2 224.373 2.106 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351471953 355996200 /nfs/dbraw/zinc/99/62/00/355996200.db2.gz NIIQRMBMUPKVHS-DYEKYZERSA-N 2 2 232.327 2.191 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351471953 355996205 /nfs/dbraw/zinc/99/62/05/355996205.db2.gz NIIQRMBMUPKVHS-DYEKYZERSA-N 2 2 232.327 2.191 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000335910545 356115274 /nfs/dbraw/zinc/11/52/74/356115274.db2.gz BFIJKKIIMYYMMH-AWEZNQCLSA-N 2 2 241.338 2.410 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000335910545 356115277 /nfs/dbraw/zinc/11/52/77/356115277.db2.gz BFIJKKIIMYYMMH-AWEZNQCLSA-N 2 2 241.338 2.410 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000335910546 356115509 /nfs/dbraw/zinc/11/55/09/356115509.db2.gz BFIJKKIIMYYMMH-CQSZACIVSA-N 2 2 241.338 2.410 20 0 BEADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000335910546 356115511 /nfs/dbraw/zinc/11/55/11/356115511.db2.gz BFIJKKIIMYYMMH-CQSZACIVSA-N 2 2 241.338 2.410 20 0 BEADLP CC(C)C1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000336096054 134080111 /nfs/dbraw/zinc/08/01/11/134080111.db2.gz BPYUAICWJULOBT-OTTFEQOBSA-N 2 2 233.359 2.222 20 0 BEADLP Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CO)c(C)[nH+]1 ZINC000639451413 356231241 /nfs/dbraw/zinc/23/12/41/356231241.db2.gz GECVHGRWOREUID-AWEZNQCLSA-N 2 2 248.370 2.354 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2CO)c(C)[nH+]1 ZINC000639451413 356231243 /nfs/dbraw/zinc/23/12/43/356231243.db2.gz GECVHGRWOREUID-AWEZNQCLSA-N 2 2 248.370 2.354 20 0 BEADLP Fc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336103719 134084011 /nfs/dbraw/zinc/08/40/11/134084011.db2.gz ZXSJSXCSFDUHDB-LBPRGKRZSA-N 2 2 245.301 2.127 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000192391026 356182757 /nfs/dbraw/zinc/18/27/57/356182757.db2.gz IRDQBUQTALAYGG-VXGBXAGGSA-N 2 2 221.348 2.297 20 0 BEADLP C[NH2+]C[C@H](C)CNc1[nH+]ccc(C)c1Cl ZINC000420217899 192194406 /nfs/dbraw/zinc/19/44/06/192194406.db2.gz XUAXTHVIGRQXNU-QMMMGPOBSA-N 2 2 227.739 2.311 20 0 BEADLP COCC[N@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639458005 356243853 /nfs/dbraw/zinc/24/38/53/356243853.db2.gz QFZHKRHBVXWFKF-UHFFFAOYSA-N 2 2 222.332 2.085 20 0 BEADLP COCC[N@@H+](C)Cc1c(C)cc(C)[nH+]c1C ZINC000639458005 356243856 /nfs/dbraw/zinc/24/38/56/356243856.db2.gz QFZHKRHBVXWFKF-UHFFFAOYSA-N 2 2 222.332 2.085 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000639482027 356297037 /nfs/dbraw/zinc/29/70/37/356297037.db2.gz GRKCAGLAIWXCDH-ZDUSSCGKSA-N 2 2 234.343 2.228 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000639482027 356297042 /nfs/dbraw/zinc/29/70/42/356297042.db2.gz GRKCAGLAIWXCDH-ZDUSSCGKSA-N 2 2 234.343 2.228 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCCc1ccsc1 ZINC000420299398 192207009 /nfs/dbraw/zinc/20/70/09/192207009.db2.gz TZJPATOPXFWZPK-CYBMUJFWSA-N 2 2 238.400 2.494 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1CCCc1ccsc1 ZINC000420299398 192207011 /nfs/dbraw/zinc/20/70/11/192207011.db2.gz TZJPATOPXFWZPK-CYBMUJFWSA-N 2 2 238.400 2.494 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000420339828 192215428 /nfs/dbraw/zinc/21/54/28/192215428.db2.gz QUFTZMJREMVTNF-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000420339828 192215432 /nfs/dbraw/zinc/21/54/32/192215432.db2.gz QUFTZMJREMVTNF-STQMWFEESA-N 2 2 212.381 2.354 20 0 BEADLP C[NH2+]CC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000420339825 192216155 /nfs/dbraw/zinc/21/61/55/192216155.db2.gz QUFTZMJREMVTNF-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000420339825 192216157 /nfs/dbraw/zinc/21/61/57/192216157.db2.gz QUFTZMJREMVTNF-CHWSQXEVSA-N 2 2 212.381 2.354 20 0 BEADLP C[C@H]1OCC[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000639514293 356347649 /nfs/dbraw/zinc/34/76/49/356347649.db2.gz MZUSPOVCNTUTDL-YPMHNXCESA-N 2 2 249.358 2.014 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCO[C@@H]1CCCC[C@H]1C ZINC000420350380 192218430 /nfs/dbraw/zinc/21/84/30/192218430.db2.gz GQHLGBKDKPYHSB-ZOBORPQBSA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCO[C@@H]1CCCC[C@H]1C ZINC000420350380 192218431 /nfs/dbraw/zinc/21/84/31/192218431.db2.gz GQHLGBKDKPYHSB-ZOBORPQBSA-N 2 2 240.391 2.003 20 0 BEADLP C[NH2+][C@H]1CCC[N@H+](CCCc2ccsc2)C1 ZINC000420300877 192207937 /nfs/dbraw/zinc/20/79/37/192207937.db2.gz VLIPOSSDTZQQCQ-ZDUSSCGKSA-N 2 2 238.400 2.365 20 0 BEADLP C[NH2+][C@H]1CCC[N@@H+](CCCc2ccsc2)C1 ZINC000420300877 192207940 /nfs/dbraw/zinc/20/79/40/192207940.db2.gz VLIPOSSDTZQQCQ-ZDUSSCGKSA-N 2 2 238.400 2.365 20 0 BEADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1c(F)cccc1F ZINC000420358392 192218705 /nfs/dbraw/zinc/21/87/05/192218705.db2.gz IPDOEURBOXLFAU-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP C[NH2+]CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000420366564 192225903 /nfs/dbraw/zinc/22/59/03/192225903.db2.gz GCOTYSAAMCASOH-UHFFFAOYSA-N 2 2 238.762 2.308 20 0 BEADLP C[NH2+]CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000420366564 192225904 /nfs/dbraw/zinc/22/59/04/192225904.db2.gz GCOTYSAAMCASOH-UHFFFAOYSA-N 2 2 238.762 2.308 20 0 BEADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000420370293 192228426 /nfs/dbraw/zinc/22/84/26/192228426.db2.gz OXFARJBCQAEJPN-JTNHKYCSSA-N 2 2 236.334 2.302 20 0 BEADLP CC(C)(C)CCC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000420329598 192229399 /nfs/dbraw/zinc/22/93/99/192229399.db2.gz JZLZEPDZSMGOSU-CYBMUJFWSA-N 2 2 230.371 2.446 20 0 BEADLP CC(C)(C)CCC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000420329598 192229402 /nfs/dbraw/zinc/22/94/02/192229402.db2.gz JZLZEPDZSMGOSU-CYBMUJFWSA-N 2 2 230.371 2.446 20 0 BEADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1cccnc1 ZINC000420372265 192230383 /nfs/dbraw/zinc/23/03/83/192230383.db2.gz QFEVCGWNXXJHPN-CIQGVGRVSA-N 2 2 233.359 2.119 20 0 BEADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOc1ccccc1 ZINC000420362193 192221135 /nfs/dbraw/zinc/22/11/35/192221135.db2.gz ILRBSOSZUNMCSR-IPYPFGDCSA-N 2 2 248.370 2.042 20 0 BEADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000639538845 356391618 /nfs/dbraw/zinc/39/16/18/356391618.db2.gz WHNZIBXWGNAXQX-AAEUAGOBSA-N 2 2 249.358 2.014 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000420408904 192240032 /nfs/dbraw/zinc/24/00/32/192240032.db2.gz QBPSIBWJZSPSDQ-YUMQZZPRSA-N 2 2 230.714 2.477 20 0 BEADLP Cc1cc(C)c(C[N@H+]2CCC[C@@](C)(O)C2)c(C)[nH+]1 ZINC000639556290 356459311 /nfs/dbraw/zinc/45/93/11/356459311.db2.gz YJQMVZVZFAEDFO-OAHLLOKOSA-N 2 2 248.370 2.354 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623634883 366314546 /nfs/dbraw/zinc/31/45/46/366314546.db2.gz DMHVZNBFEHTYBS-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623634883 366314554 /nfs/dbraw/zinc/31/45/54/366314554.db2.gz DMHVZNBFEHTYBS-CQSZACIVSA-N 2 2 243.354 2.352 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389421815 356657106 /nfs/dbraw/zinc/65/71/06/356657106.db2.gz VORQFCKPMIDUPW-PPYMECGQSA-N 2 2 230.355 2.384 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389421815 356657108 /nfs/dbraw/zinc/65/71/08/356657108.db2.gz VORQFCKPMIDUPW-PPYMECGQSA-N 2 2 230.355 2.384 20 0 BEADLP CCc1cc(N(C)CCCn2cc[nH+]c2)cc[nH+]1 ZINC000450393657 202152150 /nfs/dbraw/zinc/15/21/50/202152150.db2.gz OYBSQQREMGHRMQ-UHFFFAOYSA-N 2 2 244.342 2.367 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000130263584 325031661 /nfs/dbraw/zinc/03/16/61/325031661.db2.gz NIMFXNOIGWOSKP-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000359303846 356888353 /nfs/dbraw/zinc/88/83/53/356888353.db2.gz NRBBRYKGNYGMPU-TYNCELHUSA-N 2 2 247.386 2.245 20 0 BEADLP CCc1cnccc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000359303846 356888356 /nfs/dbraw/zinc/88/83/56/356888356.db2.gz NRBBRYKGNYGMPU-TYNCELHUSA-N 2 2 247.386 2.245 20 0 BEADLP CCCC[C@@H](COC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000360044662 356901549 /nfs/dbraw/zinc/90/15/49/356901549.db2.gz GXJKXCBDHCRSHD-STQMWFEESA-N 2 2 239.363 2.066 20 0 BEADLP CC1(C)CC[C@@H]([N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000367945139 356962505 /nfs/dbraw/zinc/96/25/05/356962505.db2.gz UVMOKBKYTDXHKS-LLVKDONJSA-N 2 2 219.332 2.277 20 0 BEADLP CC1(C)CC[C@@H]([N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000367945139 356962507 /nfs/dbraw/zinc/96/25/07/356962507.db2.gz UVMOKBKYTDXHKS-LLVKDONJSA-N 2 2 219.332 2.277 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389553759 356988642 /nfs/dbraw/zinc/98/86/42/356988642.db2.gz QDGHNCHTYCZVPR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389553759 356988646 /nfs/dbraw/zinc/98/86/46/356988646.db2.gz QDGHNCHTYCZVPR-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[C@@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C1C[NH2+]C1 ZINC000582295553 357028888 /nfs/dbraw/zinc/02/88/88/357028888.db2.gz YIAJWKAVXYHMRH-GIPNMCIBSA-N 2 2 234.343 2.101 20 0 BEADLP C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C1C[NH2+]C1 ZINC000582295554 357029249 /nfs/dbraw/zinc/02/92/49/357029249.db2.gz YIAJWKAVXYHMRH-NRUUGDAUSA-N 2 2 234.343 2.101 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC000390653475 357109308 /nfs/dbraw/zinc/10/93/08/357109308.db2.gz PYQHRUVJOAUKKR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC2(C)C)C1 ZINC000390653475 357109311 /nfs/dbraw/zinc/10/93/11/357109311.db2.gz PYQHRUVJOAUKKR-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CCC(CC)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000389940107 357071725 /nfs/dbraw/zinc/07/17/25/357071725.db2.gz OJCFATOEOSAQLG-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP CCC(CC)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000389940107 357071728 /nfs/dbraw/zinc/07/17/28/357071728.db2.gz OJCFATOEOSAQLG-LBPRGKRZSA-N 2 2 212.381 2.354 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CC1 ZINC000131129853 325121119 /nfs/dbraw/zinc/12/11/19/325121119.db2.gz CSGMTJNQLGQCPH-BXUZGUMPSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CC1 ZINC000131129853 325121121 /nfs/dbraw/zinc/12/11/21/325121121.db2.gz CSGMTJNQLGQCPH-BXUZGUMPSA-N 2 2 224.392 2.493 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423273052 192667204 /nfs/dbraw/zinc/66/72/04/192667204.db2.gz KFUMAEGUUPYKIQ-WCQYABFASA-N 2 2 235.375 2.278 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]1C ZINC000393745917 357295479 /nfs/dbraw/zinc/29/54/79/357295479.db2.gz LYGJGIFGONPMSG-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC2(C)COC2)c[nH+]1 ZINC000628424149 357249775 /nfs/dbraw/zinc/24/97/75/357249775.db2.gz ZRPKINMYNWCITB-UHFFFAOYSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC2(C)COC2)c[nH+]1 ZINC000628424149 357249778 /nfs/dbraw/zinc/24/97/78/357249778.db2.gz ZRPKINMYNWCITB-UHFFFAOYSA-N 2 2 248.370 2.291 20 0 BEADLP C[C@H]1CC[C@H](C)[NH+]1CCCc1c[nH+]cn1C ZINC000582734372 357378705 /nfs/dbraw/zinc/37/87/05/357378705.db2.gz WRTPVZWBPAXURN-RYUDHWBXSA-N 2 2 221.348 2.226 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157658084 538833028 /nfs/dbraw/zinc/83/30/28/538833028.db2.gz HYZNNXXAGULHTO-DGCLKSJQSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157658084 538833031 /nfs/dbraw/zinc/83/30/31/538833031.db2.gz HYZNNXXAGULHTO-DGCLKSJQSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](CC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397845006 357390232 /nfs/dbraw/zinc/39/02/32/357390232.db2.gz RUQKTEMOCBPYKK-LLVKDONJSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157808516 538841042 /nfs/dbraw/zinc/84/10/42/538841042.db2.gz BGJUUVGNDHOLTB-GJZGRUSLSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157808516 538841050 /nfs/dbraw/zinc/84/10/50/538841050.db2.gz BGJUUVGNDHOLTB-GJZGRUSLSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000157805519 538841564 /nfs/dbraw/zinc/84/15/64/538841564.db2.gz RSOPYWRISQFFOD-KGLIPLIRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000157805519 538841568 /nfs/dbraw/zinc/84/15/68/538841568.db2.gz RSOPYWRISQFFOD-KGLIPLIRSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1cccc(CCNc2cc[nH+]cc2C)[nH+]1 ZINC000359793324 538858275 /nfs/dbraw/zinc/85/82/75/538858275.db2.gz ADPOKEIARGHWGX-UHFFFAOYSA-N 2 2 227.311 2.170 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000397547309 357590261 /nfs/dbraw/zinc/59/02/61/357590261.db2.gz UOHXDCLNPHFIMD-HUUCEWRRSA-N 2 2 246.354 2.090 20 0 BEADLP c1cn(CC[NH2+]Cc2scnc2C2CC2)c[nH+]1 ZINC000486970626 538884934 /nfs/dbraw/zinc/88/49/34/538884934.db2.gz MZZREONIIHSCNE-UHFFFAOYSA-N 2 2 248.355 2.007 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1F ZINC000050545641 357678654 /nfs/dbraw/zinc/67/86/54/357678654.db2.gz KITCTCHQZQVICV-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1F ZINC000050545641 357678655 /nfs/dbraw/zinc/67/86/55/357678655.db2.gz KITCTCHQZQVICV-ZDUSSCGKSA-N 2 2 236.334 2.318 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000232551535 357671057 /nfs/dbraw/zinc/67/10/57/357671057.db2.gz YPCJZDSLNRCZJA-CPCZMJQVSA-N 2 2 222.376 2.247 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000232551535 357671058 /nfs/dbraw/zinc/67/10/58/357671058.db2.gz YPCJZDSLNRCZJA-CPCZMJQVSA-N 2 2 222.376 2.247 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000191461924 357772436 /nfs/dbraw/zinc/77/24/36/357772436.db2.gz RPGFRGAMZULKFI-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000191461924 357772442 /nfs/dbraw/zinc/77/24/42/357772442.db2.gz RPGFRGAMZULKFI-ZDUSSCGKSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397882640 357781548 /nfs/dbraw/zinc/78/15/48/357781548.db2.gz ZPUVNRAUVYNTML-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP c1cn(CCC[NH2+]C(C2CC2)C2CC2)c[nH+]1 ZINC000037466862 358070400 /nfs/dbraw/zinc/07/04/00/358070400.db2.gz LTBHVXLQDXXTPE-UHFFFAOYSA-N 2 2 219.332 2.051 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500376 134248740 /nfs/dbraw/zinc/24/87/40/134248740.db2.gz QXVRYYIYZWXXMF-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217500376 134248741 /nfs/dbraw/zinc/24/87/41/134248741.db2.gz QXVRYYIYZWXXMF-ZWNOBZJWSA-N 2 2 222.307 2.310 20 0 BEADLP C[N@H+](CC1C[NH+](C)C1)CC1CCCCCC1 ZINC000668538753 491127372 /nfs/dbraw/zinc/12/73/72/491127372.db2.gz BTEPXTFKNRHEBH-UHFFFAOYSA-N 2 2 224.392 2.450 20 0 BEADLP C[N@@H+](CC1C[NH+](C)C1)CC1CCCCCC1 ZINC000668538753 491127373 /nfs/dbraw/zinc/12/73/73/491127373.db2.gz BTEPXTFKNRHEBH-UHFFFAOYSA-N 2 2 224.392 2.450 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000226010535 358332752 /nfs/dbraw/zinc/33/27/52/358332752.db2.gz CEQCNIQMTMPKQO-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000226010535 358332756 /nfs/dbraw/zinc/33/27/56/358332756.db2.gz CEQCNIQMTMPKQO-AWEZNQCLSA-N 2 2 243.354 2.352 20 0 BEADLP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000228267498 358372483 /nfs/dbraw/zinc/37/24/83/358372483.db2.gz VULRSUBMNCVEDZ-ZJUUUORDSA-N 2 2 236.363 2.446 20 0 BEADLP c1ccc2c(C[NH2+][C@H]3CCC[NH2+]C3)ccnc2c1 ZINC000580417257 358519094 /nfs/dbraw/zinc/51/90/94/358519094.db2.gz CXNIPMPJVZZYJI-ZDUSSCGKSA-N 2 2 241.338 2.076 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683887 358551214 /nfs/dbraw/zinc/55/12/14/358551214.db2.gz YWLHVHCRXVFAJY-AWEZNQCLSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683887 358551216 /nfs/dbraw/zinc/55/12/16/358551216.db2.gz YWLHVHCRXVFAJY-AWEZNQCLSA-N 2 2 230.355 2.321 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683838 358551222 /nfs/dbraw/zinc/55/12/22/358551222.db2.gz FMZDNXSIEBHNQA-ZDUSSCGKSA-N 2 2 234.318 2.152 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683838 358551225 /nfs/dbraw/zinc/55/12/25/358551225.db2.gz FMZDNXSIEBHNQA-ZDUSSCGKSA-N 2 2 234.318 2.152 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000042543704 358526690 /nfs/dbraw/zinc/52/66/90/358526690.db2.gz GBCKIKRDQXGIJF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000042543704 358526691 /nfs/dbraw/zinc/52/66/91/358526691.db2.gz GBCKIKRDQXGIJF-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP Cc1cc(N[C@@H](C)CC[NH3+])nc(C(C)C)[nH+]1 ZINC000134269626 358785117 /nfs/dbraw/zinc/78/51/17/358785117.db2.gz HPKUSIJLDQVQLZ-VIFPVBQESA-N 2 2 222.336 2.058 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000134769365 358804956 /nfs/dbraw/zinc/80/49/56/358804956.db2.gz VHCSXRXGRHDSBV-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP CCSCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000134769365 358804958 /nfs/dbraw/zinc/80/49/58/358804958.db2.gz VHCSXRXGRHDSBV-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]1CCCC[C@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000134841690 358807950 /nfs/dbraw/zinc/80/79/50/358807950.db2.gz NMAZHTIALYSFNM-KBPBESRZSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000054078009 358851292 /nfs/dbraw/zinc/85/12/92/358851292.db2.gz DLJZGNMXWVKUJO-LBPRGKRZSA-N 2 2 221.348 2.442 20 0 BEADLP CCC[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000054936289 358879862 /nfs/dbraw/zinc/87/98/62/358879862.db2.gz OXWXEBIIUPTZLS-UHFFFAOYSA-N 2 2 234.347 2.071 20 0 BEADLP c1coc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000069676581 359032915 /nfs/dbraw/zinc/03/29/15/359032915.db2.gz XZKHIQBTMFGXFX-UHFFFAOYSA-N 2 2 241.294 2.260 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000423310848 192697971 /nfs/dbraw/zinc/69/79/71/192697971.db2.gz OPPBLNGFVNZRJD-LLVKDONJSA-N 2 2 222.332 2.042 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423318769 192704174 /nfs/dbraw/zinc/70/41/74/192704174.db2.gz DQTUIHYBNDOHPY-RKDXNWHRSA-N 2 2 235.356 2.294 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)c(C)o1 ZINC000423322317 192705802 /nfs/dbraw/zinc/70/58/02/192705802.db2.gz IDGNUIIAPFEFLV-JTQLQIEISA-N 2 2 222.332 2.428 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000247010474 359182646 /nfs/dbraw/zinc/18/26/46/359182646.db2.gz LDUAGECVTIAWCW-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP COCCC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000247010474 359182652 /nfs/dbraw/zinc/18/26/52/359182652.db2.gz LDUAGECVTIAWCW-ZIAGYGMSSA-N 2 2 242.407 2.266 20 0 BEADLP Clc1sccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308875059 491139357 /nfs/dbraw/zinc/13/93/57/491139357.db2.gz MYJNHTAQCYUGKC-NXEZZACHSA-N 2 2 242.775 2.053 20 0 BEADLP C[C@@H]1CSCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000379573540 359548995 /nfs/dbraw/zinc/54/89/95/359548995.db2.gz XORFGXZLEUWSAM-NSHDSACASA-N 2 2 230.421 2.059 20 0 BEADLP C[C@@H]1CSCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000379573540 359548999 /nfs/dbraw/zinc/54/89/99/359548999.db2.gz XORFGXZLEUWSAM-NSHDSACASA-N 2 2 230.421 2.059 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1CC1(C)C ZINC000309007698 491142263 /nfs/dbraw/zinc/14/22/63/491142263.db2.gz QLUBRQJZFMKRCL-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1CC1(C)C ZINC000309007698 491142264 /nfs/dbraw/zinc/14/22/64/491142264.db2.gz QLUBRQJZFMKRCL-QJPTWQEYSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000309020056 491142592 /nfs/dbraw/zinc/14/25/92/491142592.db2.gz WMNHVYAFIMQDMI-STQMWFEESA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000309020056 491142593 /nfs/dbraw/zinc/14/25/93/491142593.db2.gz WMNHVYAFIMQDMI-STQMWFEESA-N 2 2 212.381 2.351 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309039578 491143132 /nfs/dbraw/zinc/14/31/32/491143132.db2.gz KLSNIDMQNGVWAR-VXGBXAGGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000132948349 491143459 /nfs/dbraw/zinc/14/34/59/491143459.db2.gz ZWDZWLDQBRAKLM-NTZNESFSSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000132948349 491143460 /nfs/dbraw/zinc/14/34/60/491143460.db2.gz ZWDZWLDQBRAKLM-NTZNESFSSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000132947772 491143464 /nfs/dbraw/zinc/14/34/64/491143464.db2.gz ZWDZWLDQBRAKLM-WZRBSPASSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000132947772 491143465 /nfs/dbraw/zinc/14/34/65/491143465.db2.gz ZWDZWLDQBRAKLM-WZRBSPASSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000132947967 491143474 /nfs/dbraw/zinc/14/34/74/491143474.db2.gz ZWDZWLDQBRAKLM-MDZLAQPJSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000132947967 491143475 /nfs/dbraw/zinc/14/34/75/491143475.db2.gz ZWDZWLDQBRAKLM-MDZLAQPJSA-N 2 2 222.376 2.247 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000578533509 366593538 /nfs/dbraw/zinc/59/35/38/366593538.db2.gz PXJVURIHXWJKML-GXTWGEPZSA-N 2 2 234.343 2.090 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1F ZINC000087365116 359908565 /nfs/dbraw/zinc/90/85/65/359908565.db2.gz IZZBMHADNZVTGH-ZYHUDNBSSA-N 2 2 222.307 2.147 20 0 BEADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000087012444 359893709 /nfs/dbraw/zinc/89/37/09/359893709.db2.gz YZOMZKLUZYJSMZ-AWEZNQCLSA-N 2 2 216.328 2.097 20 0 BEADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000087012444 359893713 /nfs/dbraw/zinc/89/37/13/359893713.db2.gz YZOMZKLUZYJSMZ-AWEZNQCLSA-N 2 2 216.328 2.097 20 0 BEADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000578669397 366625693 /nfs/dbraw/zinc/62/56/93/366625693.db2.gz KNPUMJAXDOEAQO-VXGBXAGGSA-N 2 2 231.343 2.120 20 0 BEADLP COCC[N@H+](C)CC[NH2+]CC1CCCCCC1 ZINC000089560202 360025597 /nfs/dbraw/zinc/02/55/97/360025597.db2.gz UFXGJJZLFGBLRZ-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP COCC[N@@H+](C)CC[NH2+]CC1CCCCCC1 ZINC000089560202 360025599 /nfs/dbraw/zinc/02/55/99/360025599.db2.gz UFXGJJZLFGBLRZ-UHFFFAOYSA-N 2 2 242.407 2.125 20 0 BEADLP CC[C@@H](C)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093054231 360212105 /nfs/dbraw/zinc/21/21/05/360212105.db2.gz NLJCCVYFIYIETB-MCIONIFRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@@H](C)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093054231 360212110 /nfs/dbraw/zinc/21/21/10/360212110.db2.gz NLJCCVYFIYIETB-MCIONIFRSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093054233 360212122 /nfs/dbraw/zinc/21/21/22/360212122.db2.gz NLJCCVYFIYIETB-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000093054233 360212126 /nfs/dbraw/zinc/21/21/26/360212126.db2.gz NLJCCVYFIYIETB-MELADBBJSA-N 2 2 242.407 2.121 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000309487908 491149684 /nfs/dbraw/zinc/14/96/84/491149684.db2.gz WAXZUULSNFFVCH-KGLIPLIRSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000309487908 491149685 /nfs/dbraw/zinc/14/96/85/491149685.db2.gz WAXZUULSNFFVCH-KGLIPLIRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCSCC1 ZINC000309526924 491150000 /nfs/dbraw/zinc/15/00/00/491150000.db2.gz CSRNVSPWLVIYMS-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCSCC1 ZINC000309526924 491150001 /nfs/dbraw/zinc/15/00/01/491150001.db2.gz CSRNVSPWLVIYMS-WCQYABFASA-N 2 2 242.432 2.202 20 0 BEADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309554399 491151335 /nfs/dbraw/zinc/15/13/35/491151335.db2.gz LUBRKTOUUYMSAL-KBPBESRZSA-N 2 2 222.376 2.251 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1OC ZINC000414980589 200786866 /nfs/dbraw/zinc/78/68/66/200786866.db2.gz PVLBHPJAZKXNIX-SECBINFHSA-N 2 2 242.750 2.176 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000309652658 491153767 /nfs/dbraw/zinc/15/37/67/491153767.db2.gz ORFDFTHGQBVKAE-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000309652658 491153768 /nfs/dbraw/zinc/15/37/68/491153768.db2.gz ORFDFTHGQBVKAE-YNEHKIRRSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1F ZINC000629395492 361042792 /nfs/dbraw/zinc/04/27/92/361042792.db2.gz DGFDPTVKCIRULG-AAEUAGOBSA-N 2 2 236.334 2.364 20 0 BEADLP COc1ccc(C)cc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394467 361043453 /nfs/dbraw/zinc/04/34/53/361043453.db2.gz IILPFRFSSAQHNY-TZMCWYRMSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629396278 361044022 /nfs/dbraw/zinc/04/40/22/361044022.db2.gz JYBPPQHTEXXPIA-SMDDNHRTSA-N 2 2 236.334 2.364 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1sccc1C ZINC000629390480 361044881 /nfs/dbraw/zinc/04/48/81/361044881.db2.gz HOLBNMJSLVAUIS-WDEREUQCSA-N 2 2 224.373 2.287 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)ccc1OC ZINC000629390660 361045899 /nfs/dbraw/zinc/04/58/99/361045899.db2.gz KPBGFBNFDLPHGW-UONOGXRCSA-N 2 2 248.370 2.234 20 0 BEADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629406637 361057223 /nfs/dbraw/zinc/05/72/23/361057223.db2.gz SQCMXDUECYCJKX-SMDDNHRTSA-N 2 2 218.344 2.089 20 0 BEADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000629406135 361053773 /nfs/dbraw/zinc/05/37/73/361053773.db2.gz OEHWCFCIOZINOO-DZGCQCFKSA-N 2 2 232.371 2.452 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000309670051 491154313 /nfs/dbraw/zinc/15/43/13/491154313.db2.gz JLFIUZIUKQSSTI-KBPBESRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2CCC3)C[NH2+]1 ZINC000629418374 361062803 /nfs/dbraw/zinc/06/28/03/361062803.db2.gz XKFSKMJUQQXZOG-DOMZBBRYSA-N 2 2 244.382 2.405 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000309668213 491154222 /nfs/dbraw/zinc/15/42/22/491154222.db2.gz UZCCAPGYPAPDAX-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000309668212 491154241 /nfs/dbraw/zinc/15/42/41/491154241.db2.gz UZCCAPGYPAPDAX-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000309668212 491154242 /nfs/dbraw/zinc/15/42/42/491154242.db2.gz UZCCAPGYPAPDAX-MGPQQGTHSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(C[NH2+]C2CC([NH+](C)C)C2)c(F)c1 ZINC000631167477 361078512 /nfs/dbraw/zinc/07/85/12/361078512.db2.gz XKPYZOOIEXVWFN-UHFFFAOYSA-N 2 2 236.334 2.316 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000309668211 491154275 /nfs/dbraw/zinc/15/42/75/491154275.db2.gz UZCCAPGYPAPDAX-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000309668211 491154276 /nfs/dbraw/zinc/15/42/76/491154276.db2.gz UZCCAPGYPAPDAX-MCIONIFRSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)cc(C)c1 ZINC000041056050 361215019 /nfs/dbraw/zinc/21/50/19/361215019.db2.gz BWSGWHQAAIDEMR-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(C)cc(C)c1 ZINC000041056050 361215023 /nfs/dbraw/zinc/21/50/23/361215023.db2.gz BWSGWHQAAIDEMR-UHFFFAOYSA-N 2 2 206.333 2.084 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000309760324 491155700 /nfs/dbraw/zinc/15/57/00/491155700.db2.gz IOORHEBYSLSCLD-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]CC2(C)CCC2)C1 ZINC000309760324 491155701 /nfs/dbraw/zinc/15/57/01/491155701.db2.gz IOORHEBYSLSCLD-ZDUSSCGKSA-N 2 2 224.392 2.498 20 0 BEADLP C[N@H+](CCCC[NH+]1CCCCC1)CC(F)F ZINC000640532350 361302156 /nfs/dbraw/zinc/30/21/56/361302156.db2.gz XTCUCLHCKHMQBW-UHFFFAOYSA-N 2 2 234.334 2.449 20 0 BEADLP C[N@@H+](CCCC[NH+]1CCCCC1)CC(F)F ZINC000640532350 361302159 /nfs/dbraw/zinc/30/21/59/361302159.db2.gz XTCUCLHCKHMQBW-UHFFFAOYSA-N 2 2 234.334 2.449 20 0 BEADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000309781828 491156473 /nfs/dbraw/zinc/15/64/73/491156473.db2.gz NBBJPTPXQPWBGO-UONOGXRCSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000309781828 491156474 /nfs/dbraw/zinc/15/64/74/491156474.db2.gz NBBJPTPXQPWBGO-UONOGXRCSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC000082858904 491156677 /nfs/dbraw/zinc/15/66/77/491156677.db2.gz ILPMNIHYDYQXDZ-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC000082858904 491156678 /nfs/dbraw/zinc/15/66/78/491156678.db2.gz ILPMNIHYDYQXDZ-SYQHCUMBSA-N 2 2 224.392 2.495 20 0 BEADLP COC1(C[C@H](C)[NH2+]CC[N@H+](C)C(C)C)CCC1 ZINC000429519835 201113122 /nfs/dbraw/zinc/11/31/22/201113122.db2.gz BVWSLMUPVVVPCN-ZDUSSCGKSA-N 2 2 242.407 2.264 20 0 BEADLP COC1(C[C@H](C)[NH2+]CC[N@@H+](C)C(C)C)CCC1 ZINC000429519835 201113123 /nfs/dbraw/zinc/11/31/23/201113123.db2.gz BVWSLMUPVVVPCN-ZDUSSCGKSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cccnc32)C[NH2+]1 ZINC000629540957 361415536 /nfs/dbraw/zinc/41/55/36/361415536.db2.gz QBSRQLNCHALRDO-BNOWGMLFSA-N 2 2 245.370 2.189 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000629535155 361408604 /nfs/dbraw/zinc/40/86/04/361408604.db2.gz DVBZVFFTFZCJOV-BXUZGUMPSA-N 2 2 247.386 2.292 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000629535155 361408608 /nfs/dbraw/zinc/40/86/08/361408608.db2.gz DVBZVFFTFZCJOV-BXUZGUMPSA-N 2 2 247.386 2.292 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000629535195 361409014 /nfs/dbraw/zinc/40/90/14/361409014.db2.gz FJLPXDARLCQLCP-JSGCOSHPSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000629535195 361409020 /nfs/dbraw/zinc/40/90/20/361409020.db2.gz FJLPXDARLCQLCP-JSGCOSHPSA-N 2 2 247.386 2.435 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542673 361420213 /nfs/dbraw/zinc/42/02/13/361420213.db2.gz IWJQMKPZUTYJDO-MBNYWOFBSA-N 2 2 247.386 2.435 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629543135 361421830 /nfs/dbraw/zinc/42/18/30/361421830.db2.gz UIIMYZKAOHWGLA-RWMBFGLXSA-N 2 2 233.359 2.181 20 0 BEADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccnc1 ZINC000629544366 361423377 /nfs/dbraw/zinc/42/33/77/361423377.db2.gz KVYWRVKKQFDXIK-IACUBPJLSA-N 2 2 233.359 2.263 20 0 BEADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629546475 361427357 /nfs/dbraw/zinc/42/73/57/361427357.db2.gz YKCHVMRCLDYKGM-SLEUVZQESA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000629546421 361428085 /nfs/dbraw/zinc/42/80/85/361428085.db2.gz PPMPXRAKWJFQDI-VQISRLSMSA-N 2 2 246.354 2.110 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2ccccc21 ZINC000629548903 361434475 /nfs/dbraw/zinc/43/44/75/361434475.db2.gz RWOWOAUVHPQPOQ-YUTCNCBUSA-N 2 2 246.354 2.240 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H](C)C2 ZINC000629553378 361438268 /nfs/dbraw/zinc/43/82/68/361438268.db2.gz XXYSCTSIHRJKPU-KYOSRNDESA-N 2 2 230.355 2.180 20 0 BEADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553356 361438859 /nfs/dbraw/zinc/43/88/59/361438859.db2.gz NKJUADDPMVBGEK-OUCADQQQSA-N 2 2 230.355 2.495 20 0 BEADLP Cc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1F ZINC000629551925 361444369 /nfs/dbraw/zinc/44/43/69/361444369.db2.gz XXOJQDKKKUYMBX-UHFFFAOYSA-N 2 2 234.318 2.057 20 0 BEADLP Cc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1F ZINC000629551925 361444375 /nfs/dbraw/zinc/44/43/75/361444375.db2.gz XXOJQDKKKUYMBX-UHFFFAOYSA-N 2 2 234.318 2.057 20 0 BEADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629544266 361418922 /nfs/dbraw/zinc/41/89/22/361418922.db2.gz INPIBOIXMCATKD-VIRABCJISA-N 2 2 248.370 2.103 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cnc2ccc(C)cc2c1 ZINC000629559435 361455320 /nfs/dbraw/zinc/45/53/20/361455320.db2.gz RGJOZNAGIDHJER-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cnc2ccc(C)cc2c1 ZINC000629559435 361455327 /nfs/dbraw/zinc/45/53/27/361455327.db2.gz RGJOZNAGIDHJER-UHFFFAOYSA-N 2 2 243.354 2.324 20 0 BEADLP CNc1ccc([NH2+]C2CCC([NH3+])CC2)cc1 ZINC000629656419 361561713 /nfs/dbraw/zinc/56/17/13/361561713.db2.gz OJAUTHHZCZPUCY-UHFFFAOYSA-N 2 2 219.332 2.410 20 0 BEADLP C[NH2+]c1ccc(NC2CCC([NH3+])CC2)cc1 ZINC000629656419 361561717 /nfs/dbraw/zinc/56/17/17/361561717.db2.gz OJAUTHHZCZPUCY-UHFFFAOYSA-N 2 2 219.332 2.410 20 0 BEADLP C[NH2+]c1ccc(N[C@H]2C[NH2+]C[C@@H](C)C2)cc1 ZINC000629653687 361552775 /nfs/dbraw/zinc/55/27/75/361552775.db2.gz MFBDOHGSDNOBHK-GXFFZTMASA-N 2 2 219.332 2.138 20 0 BEADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC000629653227 361552814 /nfs/dbraw/zinc/55/28/14/361552814.db2.gz IJCAFCPJNSZFIZ-UONOGXRCSA-N 2 2 248.370 2.234 20 0 BEADLP CCCc1cccc(C[N@H+](CC)CC[NH3+])c1 ZINC000629651045 361556053 /nfs/dbraw/zinc/55/60/53/361556053.db2.gz HVKPPLOQLQHNLX-UHFFFAOYSA-N 2 2 220.360 2.420 20 0 BEADLP CCCc1cccc(C[N@@H+](CC)CC[NH3+])c1 ZINC000629651045 361556054 /nfs/dbraw/zinc/55/60/54/361556054.db2.gz HVKPPLOQLQHNLX-UHFFFAOYSA-N 2 2 220.360 2.420 20 0 BEADLP Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000629651866 361557014 /nfs/dbraw/zinc/55/70/14/361557014.db2.gz MJRXMGAHPIYTRQ-GJZGRUSLSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000629651866 361557020 /nfs/dbraw/zinc/55/70/20/361557020.db2.gz MJRXMGAHPIYTRQ-GJZGRUSLSA-N 2 2 247.386 2.132 20 0 BEADLP C/C=C\C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000629674223 361597811 /nfs/dbraw/zinc/59/78/11/361597811.db2.gz YVUQFZDFZQHTEP-RXNFCKPNSA-N 2 2 210.365 2.402 20 0 BEADLP C/C=C\C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000629674223 361597815 /nfs/dbraw/zinc/59/78/15/361597815.db2.gz YVUQFZDFZQHTEP-RXNFCKPNSA-N 2 2 210.365 2.402 20 0 BEADLP C/C=C/C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000629674224 361597981 /nfs/dbraw/zinc/59/79/81/361597981.db2.gz YVUQFZDFZQHTEP-ZYOFXKKJSA-N 2 2 210.365 2.402 20 0 BEADLP C/C=C/C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000629674224 361597984 /nfs/dbraw/zinc/59/79/84/361597984.db2.gz YVUQFZDFZQHTEP-ZYOFXKKJSA-N 2 2 210.365 2.402 20 0 BEADLP CCCc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629672303 361614292 /nfs/dbraw/zinc/61/42/92/361614292.db2.gz QKNCNCPYNSXGKN-SWLSCSKDSA-N 2 2 232.371 2.479 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000435877838 201292162 /nfs/dbraw/zinc/29/21/62/201292162.db2.gz VOOBCZKTXYIGFB-HIFRSBDPSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000435877838 201292166 /nfs/dbraw/zinc/29/21/66/201292166.db2.gz VOOBCZKTXYIGFB-HIFRSBDPSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000435884545 201296243 /nfs/dbraw/zinc/29/62/43/201296243.db2.gz UFVYQWKQLVMIHQ-HIFRSBDPSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000435884545 201296246 /nfs/dbraw/zinc/29/62/46/201296246.db2.gz UFVYQWKQLVMIHQ-HIFRSBDPSA-N 2 2 248.370 2.058 20 0 BEADLP C[NH2+]CCC[NH2+]C1(c2nccs2)CCCC1 ZINC000435885091 201295563 /nfs/dbraw/zinc/29/55/63/201295563.db2.gz FKTKCXYYYFSDSC-UHFFFAOYSA-N 2 2 239.388 2.112 20 0 BEADLP [NH3+]C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000038090494 181345276 /nfs/dbraw/zinc/34/52/76/181345276.db2.gz YXQJYPMDKCPEGC-UHFFFAOYSA-N 2 2 247.367 2.219 20 0 BEADLP CC[C@@H]([NH2+]CC[N@H+](CC)C1CC1)C1CC1 ZINC000155885978 201363904 /nfs/dbraw/zinc/36/39/04/201363904.db2.gz TUCMYJNLJLVTOI-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H]([NH2+]CC[N@@H+](CC)C1CC1)C1CC1 ZINC000155885978 201363906 /nfs/dbraw/zinc/36/39/06/201363906.db2.gz TUCMYJNLJLVTOI-CYBMUJFWSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)C1CC1 ZINC000155885853 201363925 /nfs/dbraw/zinc/36/39/25/201363925.db2.gz TUCMYJNLJLVTOI-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)C1CC1 ZINC000155885853 201363927 /nfs/dbraw/zinc/36/39/27/201363927.db2.gz TUCMYJNLJLVTOI-ZDUSSCGKSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000155823871 201354191 /nfs/dbraw/zinc/35/41/91/201354191.db2.gz IBSPFSFOZAUNOV-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000155823871 201354192 /nfs/dbraw/zinc/35/41/92/201354192.db2.gz IBSPFSFOZAUNOV-VXGBXAGGSA-N 2 2 212.381 2.495 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC[C@H]3CCOC3)C2)[nH]1 ZINC000437578799 201358340 /nfs/dbraw/zinc/35/83/40/201358340.db2.gz JZWUNXGKUWAPOG-STQMWFEESA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)[nH]1 ZINC000437578799 201358342 /nfs/dbraw/zinc/35/83/42/201358342.db2.gz JZWUNXGKUWAPOG-STQMWFEESA-N 2 2 249.358 2.016 20 0 BEADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[NH2+]1 ZINC000398968328 364377115 /nfs/dbraw/zinc/37/71/15/364377115.db2.gz SYKISTVYULVPOF-GXFFZTMASA-N 2 2 222.307 2.056 20 0 BEADLP COc1ccccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000573625529 364878416 /nfs/dbraw/zinc/87/84/16/364878416.db2.gz LZWQYIVPXSMKKV-UHFFFAOYSA-N 2 2 245.326 2.027 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(F)CC1 ZINC000573774091 364914204 /nfs/dbraw/zinc/91/42/04/364914204.db2.gz GMDPFNACOJZAKA-NEPJUHHUSA-N 2 2 226.339 2.047 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(F)CC1 ZINC000573774091 364914210 /nfs/dbraw/zinc/91/42/10/364914210.db2.gz GMDPFNACOJZAKA-NEPJUHHUSA-N 2 2 226.339 2.047 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(F)CC1 ZINC000573774091 364914213 /nfs/dbraw/zinc/91/42/13/364914213.db2.gz GMDPFNACOJZAKA-NEPJUHHUSA-N 2 2 226.339 2.047 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(F)CC1 ZINC000573774091 364914216 /nfs/dbraw/zinc/91/42/16/364914216.db2.gz GMDPFNACOJZAKA-NEPJUHHUSA-N 2 2 226.339 2.047 20 0 BEADLP Cc1[nH+]cc(C[N@H+](C)Cc2cnccc2C)n1C ZINC000668095408 541410344 /nfs/dbraw/zinc/41/03/44/541410344.db2.gz IMMCGHUTSVFRGG-UHFFFAOYSA-N 2 2 244.342 2.064 20 0 BEADLP Cc1[nH+]cc(C[N@@H+](C)Cc2cnccc2C)n1C ZINC000668095408 541410347 /nfs/dbraw/zinc/41/03/47/541410347.db2.gz IMMCGHUTSVFRGG-UHFFFAOYSA-N 2 2 244.342 2.064 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)n1C ZINC000574220097 365014942 /nfs/dbraw/zinc/01/49/42/365014942.db2.gz AZXLBXDXRBIZON-CMPLNLGQSA-N 2 2 221.348 2.254 20 0 BEADLP [NH3+]CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000082790925 181381092 /nfs/dbraw/zinc/38/10/92/181381092.db2.gz XHWHUAHXLDZPIQ-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP [NH3+]CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000082790925 181381093 /nfs/dbraw/zinc/38/10/93/181381093.db2.gz XHWHUAHXLDZPIQ-UHFFFAOYSA-N 2 2 224.735 2.047 20 0 BEADLP CCCC[C@@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000442966504 193007201 /nfs/dbraw/zinc/00/72/01/193007201.db2.gz MEXQEHFYFUCBGX-ZJUUUORDSA-N 2 2 240.351 2.306 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccoc1 ZINC000087289865 365495719 /nfs/dbraw/zinc/49/57/19/365495719.db2.gz RBVDZUHMWIPDMF-GHMZBOCLSA-N 2 2 219.288 2.215 20 0 BEADLP CCC[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000182616924 366923000 /nfs/dbraw/zinc/92/30/00/366923000.db2.gz PVAGLPAWIAGUAB-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CCC[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000182616924 366923005 /nfs/dbraw/zinc/92/30/05/366923005.db2.gz PVAGLPAWIAGUAB-UHFFFAOYSA-N 2 2 221.348 2.395 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000579785801 367004741 /nfs/dbraw/zinc/00/47/41/367004741.db2.gz ZQUPEZGDZGDVJL-CQDKDKBSSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CC1 ZINC000579785801 367004748 /nfs/dbraw/zinc/00/47/48/367004748.db2.gz ZQUPEZGDZGDVJL-CQDKDKBSSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000579785802 367004852 /nfs/dbraw/zinc/00/48/52/367004852.db2.gz ZQUPEZGDZGDVJL-DFBGVHRSSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000579785802 367004858 /nfs/dbraw/zinc/00/48/58/367004858.db2.gz ZQUPEZGDZGDVJL-DFBGVHRSSA-N 2 2 236.403 2.493 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000579822675 367024362 /nfs/dbraw/zinc/02/43/62/367024362.db2.gz GSVWPNLBGPRPTA-RYUDHWBXSA-N 2 2 236.359 2.392 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000381803403 367459358 /nfs/dbraw/zinc/45/93/58/367459358.db2.gz DYHWMXODDLTLPM-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000381803403 367459361 /nfs/dbraw/zinc/45/93/61/367459361.db2.gz DYHWMXODDLTLPM-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CC1(F)CC1 ZINC000581595590 367621999 /nfs/dbraw/zinc/62/19/99/367621999.db2.gz WHIZBGVRVYFEFO-CYBMUJFWSA-N 2 2 236.334 2.341 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000385239487 367812172 /nfs/dbraw/zinc/81/21/72/367812172.db2.gz PPJHKRRSQBCMFX-MFKMUULPSA-N 2 2 236.384 2.104 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000385239487 367812176 /nfs/dbraw/zinc/81/21/76/367812176.db2.gz PPJHKRRSQBCMFX-MFKMUULPSA-N 2 2 236.384 2.104 20 0 BEADLP C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386034195 367900343 /nfs/dbraw/zinc/90/03/43/367900343.db2.gz RKNZQEJVDZCUJZ-TZMCWYRMSA-N 2 2 240.391 2.066 20 0 BEADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000386574391 367994160 /nfs/dbraw/zinc/99/41/60/367994160.db2.gz MSFRLZLXYHJVEH-IUODEOHRSA-N 2 2 248.370 2.315 20 0 BEADLP C[C@@H]([NH2+]Cc1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000386588422 367996858 /nfs/dbraw/zinc/99/68/58/367996858.db2.gz QTQBMWFYBJMFQX-PWSUYJOCSA-N 2 2 224.373 2.368 20 0 BEADLP Cc1cccc(CC[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000386657399 368007586 /nfs/dbraw/zinc/00/75/86/368007586.db2.gz RWCBOKBIWNXJID-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1cccc(CC[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000386657399 368007590 /nfs/dbraw/zinc/00/75/90/368007590.db2.gz RWCBOKBIWNXJID-OAHLLOKOSA-N 2 2 232.371 2.221 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000582013815 368153883 /nfs/dbraw/zinc/15/38/83/368153883.db2.gz XNNUDAYMAMSFJS-STQMWFEESA-N 2 2 248.374 2.378 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1F ZINC000084946306 368860329 /nfs/dbraw/zinc/86/03/29/368860329.db2.gz ZNBFJBYJWYPYPX-MWLCHTKSSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(F)c1F ZINC000084946306 368860335 /nfs/dbraw/zinc/86/03/35/368860335.db2.gz ZNBFJBYJWYPYPX-MWLCHTKSSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000084946398 368860982 /nfs/dbraw/zinc/86/09/82/368860982.db2.gz WOUPTQAMVMHLMM-TVQRCGJNSA-N 2 2 240.297 2.276 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000084946398 368860983 /nfs/dbraw/zinc/86/09/83/368860983.db2.gz WOUPTQAMVMHLMM-TVQRCGJNSA-N 2 2 240.297 2.276 20 0 BEADLP Cc1scc(C[NH2+]CCn2cc[nH+]c2)c1C ZINC000399908716 368912661 /nfs/dbraw/zinc/91/26/61/368912661.db2.gz GOEJCPNMIVJTFB-UHFFFAOYSA-N 2 2 235.356 2.351 20 0 BEADLP C[NH2+]C[C@H]1CCCN1Cc1c(C)cc(C)[nH+]c1C ZINC000631822077 368974604 /nfs/dbraw/zinc/97/46/04/368974604.db2.gz RYRZHOSAIVVLEB-CQSZACIVSA-N 2 2 247.386 2.191 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1c(C)cc(C)nc1C ZINC000631822077 368974613 /nfs/dbraw/zinc/97/46/13/368974613.db2.gz RYRZHOSAIVVLEB-CQSZACIVSA-N 2 2 247.386 2.191 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c(C)cc(C)nc1C ZINC000631822077 368974616 /nfs/dbraw/zinc/97/46/16/368974616.db2.gz RYRZHOSAIVVLEB-CQSZACIVSA-N 2 2 247.386 2.191 20 0 BEADLP CCO[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C12CCCC2 ZINC000088750903 368927548 /nfs/dbraw/zinc/92/75/48/368927548.db2.gz GOTUZWOPZDXDLX-STQMWFEESA-N 2 2 249.358 2.237 20 0 BEADLP COc1cccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000631835281 369042168 /nfs/dbraw/zinc/04/21/68/369042168.db2.gz QGVGXCVRLGANFS-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP COc1cccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC000631835281 369042173 /nfs/dbraw/zinc/04/21/73/369042173.db2.gz QGVGXCVRLGANFS-AWEZNQCLSA-N 2 2 248.370 2.399 20 0 BEADLP Cc1ccccc1C[N@@H+](C)CCc1c[nH+]cn1C ZINC000459285970 203246663 /nfs/dbraw/zinc/24/66/63/203246663.db2.gz CPTXTCSOYLVNDC-UHFFFAOYSA-N 2 2 243.354 2.403 20 0 BEADLP Cc1ccccc1C[N@H+](C)CCc1c[nH+]cn1C ZINC000459285970 203246665 /nfs/dbraw/zinc/24/66/65/203246665.db2.gz CPTXTCSOYLVNDC-UHFFFAOYSA-N 2 2 243.354 2.403 20 0 BEADLP Cc1ccsc1C[N@@H+](C)CCc1c[nH+]cn1C ZINC000459293375 203246960 /nfs/dbraw/zinc/24/69/60/203246960.db2.gz JWQLXEFPDWVBHQ-UHFFFAOYSA-N 2 2 249.383 2.465 20 0 BEADLP Cc1ccsc1C[N@H+](C)CCc1c[nH+]cn1C ZINC000459293375 203246963 /nfs/dbraw/zinc/24/69/63/203246963.db2.gz JWQLXEFPDWVBHQ-UHFFFAOYSA-N 2 2 249.383 2.465 20 0 BEADLP CC(C)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459301770 203249993 /nfs/dbraw/zinc/24/99/93/203249993.db2.gz LEYZNTLCWDUHCO-CYBMUJFWSA-N 2 2 221.348 2.083 20 0 BEADLP CC(C)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459301770 203249995 /nfs/dbraw/zinc/24/99/95/203249995.db2.gz LEYZNTLCWDUHCO-CYBMUJFWSA-N 2 2 221.348 2.083 20 0 BEADLP CCC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459296950 203250255 /nfs/dbraw/zinc/25/02/55/203250255.db2.gz HUZPTBOCJNPZNQ-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000459399260 203273406 /nfs/dbraw/zinc/27/34/06/203273406.db2.gz BJPAUTWNTSVFBO-ZDUSSCGKSA-N 2 2 233.359 2.251 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000459399260 203273407 /nfs/dbraw/zinc/27/34/07/203273407.db2.gz BJPAUTWNTSVFBO-ZDUSSCGKSA-N 2 2 233.359 2.251 20 0 BEADLP CC(C)C[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459324962 203259263 /nfs/dbraw/zinc/25/92/63/203259263.db2.gz LJAKMBQVQKJLDG-ZDUSSCGKSA-N 2 2 235.375 2.473 20 0 BEADLP CC(C)C[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459324962 203259264 /nfs/dbraw/zinc/25/92/64/203259264.db2.gz LJAKMBQVQKJLDG-ZDUSSCGKSA-N 2 2 235.375 2.473 20 0 BEADLP Cn1c[nH+]cc1CC[NH+](C1CCC1)C1CCC1 ZINC000459488746 203289552 /nfs/dbraw/zinc/28/95/52/203289552.db2.gz JHDLEVYIZAAUNQ-UHFFFAOYSA-N 2 2 233.359 2.370 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000459490679 203292164 /nfs/dbraw/zinc/29/21/64/203292164.db2.gz SUDYAPMCCRNSCS-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000459490679 203292168 /nfs/dbraw/zinc/29/21/68/203292168.db2.gz SUDYAPMCCRNSCS-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@H]12 ZINC000459407676 203276781 /nfs/dbraw/zinc/27/67/81/203276781.db2.gz LJPRLUFJWAKUPR-YUELXQCFSA-N 2 2 247.386 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@H]2CCCC[C@H]12 ZINC000459407676 203276784 /nfs/dbraw/zinc/27/67/84/203276784.db2.gz LJPRLUFJWAKUPR-YUELXQCFSA-N 2 2 247.386 2.473 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000459656594 203331153 /nfs/dbraw/zinc/33/11/53/203331153.db2.gz LIJJHQVTMGDTDS-CTHBEMJXSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000459656594 203331157 /nfs/dbraw/zinc/33/11/57/203331157.db2.gz LIJJHQVTMGDTDS-CTHBEMJXSA-N 2 2 236.403 2.493 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657678 203331534 /nfs/dbraw/zinc/33/15/34/203331534.db2.gz OJDPGFYBGXPEIJ-BQPHKTIFSA-N 2 2 248.345 2.221 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459657678 203331536 /nfs/dbraw/zinc/33/15/36/203331536.db2.gz OJDPGFYBGXPEIJ-BQPHKTIFSA-N 2 2 248.345 2.221 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631859294 369468141 /nfs/dbraw/zinc/46/81/41/369468141.db2.gz MGBKAOBZXXOZDV-OCCSQVGLSA-N 2 2 248.370 2.395 20 0 BEADLP CC(C)Oc1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631859294 369468145 /nfs/dbraw/zinc/46/81/45/369468145.db2.gz MGBKAOBZXXOZDV-OCCSQVGLSA-N 2 2 248.370 2.395 20 0 BEADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000459673463 203333069 /nfs/dbraw/zinc/33/30/69/203333069.db2.gz YZTVOEPVAJTODV-IACUBPJLSA-N 2 2 233.359 2.131 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459804942 203374602 /nfs/dbraw/zinc/37/46/02/203374602.db2.gz PGDHNWIIPYHEJS-RYUDHWBXSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c(C)c1 ZINC000631863373 369608391 /nfs/dbraw/zinc/60/83/91/369608391.db2.gz ZQCDIEMGBPORTE-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c(C)c1 ZINC000631863373 369608395 /nfs/dbraw/zinc/60/83/95/369608395.db2.gz ZQCDIEMGBPORTE-OCCSQVGLSA-N 2 2 218.344 2.225 20 0 BEADLP CCC[N@H+](CCCn1cc[nH+]c1)C(C)C ZINC000568183559 326321967 /nfs/dbraw/zinc/32/19/67/326321967.db2.gz YDKDTCGXSBLPCP-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP CCC[N@@H+](CCCn1cc[nH+]c1)C(C)C ZINC000568183559 326321968 /nfs/dbraw/zinc/32/19/68/326321968.db2.gz YDKDTCGXSBLPCP-UHFFFAOYSA-N 2 2 209.337 2.394 20 0 BEADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccn1 ZINC000621773962 370518989 /nfs/dbraw/zinc/51/89/89/370518989.db2.gz HDOABOUUNYZBDA-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccn1 ZINC000621773962 370518993 /nfs/dbraw/zinc/51/89/93/370518993.db2.gz HDOABOUUNYZBDA-JSGCOSHPSA-N 2 2 233.359 2.092 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784719 370537634 /nfs/dbraw/zinc/53/76/34/370537634.db2.gz UFVFFHLFVGWXQZ-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784719 370537636 /nfs/dbraw/zinc/53/76/36/370537636.db2.gz UFVFFHLFVGWXQZ-ZFWWWQNUSA-N 2 2 248.345 2.447 20 0 BEADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1(C)C ZINC000568494723 326359278 /nfs/dbraw/zinc/35/92/78/326359278.db2.gz AVVSNJBDOGNIIF-XQQFMLRXSA-N 2 2 242.407 2.118 20 0 BEADLP C[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)C[C@H]2C[C@H]2C1 ZINC000623741501 371076671 /nfs/dbraw/zinc/07/66/71/371076671.db2.gz RATOZZNZIWWGDM-JYAVWHMHSA-N 2 2 245.370 2.355 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000624101136 371305839 /nfs/dbraw/zinc/30/58/39/371305839.db2.gz LHHNIGNUTDOLGM-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000624101136 371305840 /nfs/dbraw/zinc/30/58/40/371305840.db2.gz LHHNIGNUTDOLGM-AAVRWANBSA-N 2 2 224.392 2.495 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000124548493 181643826 /nfs/dbraw/zinc/64/38/26/181643826.db2.gz KCDSOZGEXUULRY-VIFPVBQESA-N 2 2 224.270 2.142 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000124548493 181643828 /nfs/dbraw/zinc/64/38/28/181643828.db2.gz KCDSOZGEXUULRY-VIFPVBQESA-N 2 2 224.270 2.142 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631571563 372431060 /nfs/dbraw/zinc/43/10/60/372431060.db2.gz GBAQDQWDGLNWJU-SWLSCSKDSA-N 2 2 245.370 2.143 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ncccc32)C1 ZINC000631571563 372431063 /nfs/dbraw/zinc/43/10/63/372431063.db2.gz GBAQDQWDGLNWJU-SWLSCSKDSA-N 2 2 245.370 2.143 20 0 BEADLP C[NH2+][C@@H]1CCCN(Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000631820848 372592939 /nfs/dbraw/zinc/59/29/39/372592939.db2.gz IMLNRFAQMCBPTP-CQSZACIVSA-N 2 2 247.386 2.191 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](CCOc2ccccc2)C1 ZINC000631831424 372614759 /nfs/dbraw/zinc/61/47/59/372614759.db2.gz DGBGWKGETRLZRM-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](CCOc2ccccc2)C1 ZINC000631831424 372614760 /nfs/dbraw/zinc/61/47/60/372614760.db2.gz DGBGWKGETRLZRM-AWEZNQCLSA-N 2 2 248.370 2.269 20 0 BEADLP Cc1ncc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)s1 ZINC000631834183 372618646 /nfs/dbraw/zinc/61/86/46/372618646.db2.gz QYBPYWSWUBMJTG-NSHDSACASA-N 2 2 239.388 2.155 20 0 BEADLP Cc1ncc(C[N@H+]2CCCCC[C@H]([NH3+])C2)s1 ZINC000631834183 372618650 /nfs/dbraw/zinc/61/86/50/372618650.db2.gz QYBPYWSWUBMJTG-NSHDSACASA-N 2 2 239.388 2.155 20 0 BEADLP [NH3+][C@H]1CCCCC[N@H+](CC2CC=CC2)C1 ZINC000631835348 372623472 /nfs/dbraw/zinc/62/34/72/372623472.db2.gz SFIBKWRPDVEUGX-ZDUSSCGKSA-N 2 2 208.349 2.156 20 0 BEADLP [NH3+][C@H]1CCCCC[N@@H+](CC2CC=CC2)C1 ZINC000631835348 372623475 /nfs/dbraw/zinc/62/34/75/372623475.db2.gz SFIBKWRPDVEUGX-ZDUSSCGKSA-N 2 2 208.349 2.156 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860142 372659439 /nfs/dbraw/zinc/65/94/39/372659439.db2.gz UZQSSTADANRWNG-RQJABVFESA-N 2 2 240.391 2.003 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCO[C@H]1CCCC[C@H]1C ZINC000631860142 372659445 /nfs/dbraw/zinc/65/94/45/372659445.db2.gz UZQSSTADANRWNG-RQJABVFESA-N 2 2 240.391 2.003 20 0 BEADLP Cc1cc(C)cc(OCC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631858255 372656194 /nfs/dbraw/zinc/65/61/94/372656194.db2.gz VIKUTJXVYXHZNG-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631858255 372656201 /nfs/dbraw/zinc/65/62/01/372656201.db2.gz VIKUTJXVYXHZNG-KBPBESRZSA-N 2 2 248.370 2.104 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCC(F)(F)F ZINC000631862525 372665093 /nfs/dbraw/zinc/66/50/93/372665093.db2.gz QKNXVKJGJGDOMA-RKDXNWHRSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCC(F)(F)F ZINC000631862525 372665097 /nfs/dbraw/zinc/66/50/97/372665097.db2.gz QKNXVKJGJGDOMA-RKDXNWHRSA-N 2 2 224.270 2.141 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000040673053 373591304 /nfs/dbraw/zinc/59/13/04/373591304.db2.gz GWELBFACDNZERA-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1C ZINC000040673053 373591309 /nfs/dbraw/zinc/59/13/09/373591309.db2.gz GWELBFACDNZERA-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424193640 206034590 /nfs/dbraw/zinc/03/45/90/206034590.db2.gz KMCZYSICOOMDDU-SCUASFONSA-N 2 2 222.376 2.105 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424193640 206034593 /nfs/dbraw/zinc/03/45/93/206034593.db2.gz KMCZYSICOOMDDU-SCUASFONSA-N 2 2 222.376 2.105 20 0 BEADLP Cc1cccc(CC[NH2+][C@@H](C)C[NH+](C)C)c1 ZINC000162758821 206100291 /nfs/dbraw/zinc/10/02/91/206100291.db2.gz FYXUHZRLUTYZBM-ZDUSSCGKSA-N 2 2 220.360 2.077 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000459656597 206135568 /nfs/dbraw/zinc/13/55/68/206135568.db2.gz LIJJHQVTMGDTDS-QHSBEEBCSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000459656597 206135573 /nfs/dbraw/zinc/13/55/73/206135573.db2.gz LIJJHQVTMGDTDS-QHSBEEBCSA-N 2 2 236.403 2.493 20 0 BEADLP CCC[NH+](CCC)CCCn1cc[nH+]c1 ZINC000183160478 169147101 /nfs/dbraw/zinc/14/71/01/169147101.db2.gz LATOMHIQTGJVLY-UHFFFAOYSA-N 2 2 209.337 2.395 20 0 BEADLP CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365626590 169198844 /nfs/dbraw/zinc/19/88/44/169198844.db2.gz JBIFHNDWLCEPGO-NSHDSACASA-N 2 2 207.321 2.010 20 0 BEADLP CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365626590 169198846 /nfs/dbraw/zinc/19/88/46/169198846.db2.gz JBIFHNDWLCEPGO-NSHDSACASA-N 2 2 207.321 2.010 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](COC)C(C)C ZINC000353995380 169200815 /nfs/dbraw/zinc/20/08/15/169200815.db2.gz IFFWAXYLORXVCU-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](COC)C(C)C ZINC000353995380 169200817 /nfs/dbraw/zinc/20/08/17/169200817.db2.gz IFFWAXYLORXVCU-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063188422 183339111 /nfs/dbraw/zinc/33/91/11/183339111.db2.gz OPWCHYHNSMBMQO-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063188422 183339113 /nfs/dbraw/zinc/33/91/13/183339113.db2.gz OPWCHYHNSMBMQO-LSDHHAIUSA-N 2 2 245.370 2.188 20 0 BEADLP c1cc(C[N@@H+]2CCC[NH2+]CC2)cc(C2CC2)c1 ZINC000094522035 183341763 /nfs/dbraw/zinc/34/17/63/183341763.db2.gz BQQOOUNQPNIJFK-UHFFFAOYSA-N 2 2 230.355 2.359 20 0 BEADLP c1cc(C[N@H+]2CCC[NH2+]CC2)cc(C2CC2)c1 ZINC000094522035 183341766 /nfs/dbraw/zinc/34/17/66/183341766.db2.gz BQQOOUNQPNIJFK-UHFFFAOYSA-N 2 2 230.355 2.359 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@H]2CCSC2)[nH+]1 ZINC000279690981 183352529 /nfs/dbraw/zinc/35/25/29/183352529.db2.gz ATTLXCGZRABWKP-LLVKDONJSA-N 2 2 247.367 2.177 20 0 BEADLP c1cc(C2CC2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335391732 183334055 /nfs/dbraw/zinc/33/40/55/183334055.db2.gz VVEIRVOJHYOGHF-CVEARBPZSA-N 2 2 242.366 2.358 20 0 BEADLP c1cc(C2CC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335391732 183334058 /nfs/dbraw/zinc/33/40/58/183334058.db2.gz VVEIRVOJHYOGHF-CVEARBPZSA-N 2 2 242.366 2.358 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000228716136 169259260 /nfs/dbraw/zinc/25/92/60/169259260.db2.gz NTJPBIKVTHYMCR-UHFFFAOYSA-N 2 2 236.359 2.093 20 0 BEADLP CCC[NH2+]CC[NH2+]Cc1ccc(Cl)s1 ZINC000053388070 169259315 /nfs/dbraw/zinc/25/93/15/169259315.db2.gz HUKPWGDISTXRKA-UHFFFAOYSA-N 2 2 232.780 2.491 20 0 BEADLP c1cn(C2CC[NH+](Cc3ccccn3)CC2)c[nH+]1 ZINC000109794313 183396345 /nfs/dbraw/zinc/39/63/45/183396345.db2.gz PAPAXMCZFNONPX-UHFFFAOYSA-N 2 2 242.326 2.115 20 0 BEADLP CCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000052921798 169324871 /nfs/dbraw/zinc/32/48/71/169324871.db2.gz UBGPLVKPDNANIE-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000052921798 169324872 /nfs/dbraw/zinc/32/48/72/169324872.db2.gz UBGPLVKPDNANIE-CQSZACIVSA-N 2 2 248.370 2.399 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309998801 169380653 /nfs/dbraw/zinc/38/06/53/169380653.db2.gz DDTAIMBKWHYDIY-GHMZBOCLSA-N 2 2 221.348 2.435 20 0 BEADLP CCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309998801 169380654 /nfs/dbraw/zinc/38/06/54/169380654.db2.gz DDTAIMBKWHYDIY-GHMZBOCLSA-N 2 2 221.348 2.435 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000221672770 134326048 /nfs/dbraw/zinc/32/60/48/134326048.db2.gz WYGKEEZNOASXOF-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000222024388 134329426 /nfs/dbraw/zinc/32/94/26/134329426.db2.gz QQEOIGYCDUNGIR-AGIUHOORSA-N 2 2 221.348 2.297 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000224719789 134350090 /nfs/dbraw/zinc/35/00/90/134350090.db2.gz AMFLGEJGUZEHID-AGIUHOORSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000224719789 134350091 /nfs/dbraw/zinc/35/00/91/134350091.db2.gz AMFLGEJGUZEHID-AGIUHOORSA-N 2 2 212.381 2.480 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449138406 383826750 /nfs/dbraw/zinc/82/67/50/383826750.db2.gz BYFGSZXVRJOSSH-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449138406 383826760 /nfs/dbraw/zinc/82/67/60/383826760.db2.gz BYFGSZXVRJOSSH-XJFOESAGSA-N 2 2 240.391 2.016 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252713 383923871 /nfs/dbraw/zinc/92/38/71/383923871.db2.gz PEIGWRATHGNDPO-YWPUVAFDSA-N 2 2 228.355 2.054 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647252713 383923875 /nfs/dbraw/zinc/92/38/75/383923875.db2.gz PEIGWRATHGNDPO-YWPUVAFDSA-N 2 2 228.355 2.054 20 0 BEADLP CCC1(CC)[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@@H]1OC ZINC000558254735 383883850 /nfs/dbraw/zinc/88/38/50/383883850.db2.gz CBWGNQRLXXUGFH-AVGNSLFASA-N 2 2 242.407 2.120 20 0 BEADLP Cc1csc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000227735289 134385445 /nfs/dbraw/zinc/38/54/45/134385445.db2.gz MMIYQUVENXCPJP-LLVKDONJSA-N 2 2 241.404 2.257 20 0 BEADLP Cc1csc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000227735289 134385446 /nfs/dbraw/zinc/38/54/46/134385446.db2.gz MMIYQUVENXCPJP-LLVKDONJSA-N 2 2 241.404 2.257 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000113512843 383988330 /nfs/dbraw/zinc/98/83/30/383988330.db2.gz GLQHKEJUHZKUHA-ZDUSSCGKSA-N 2 2 236.334 2.209 20 0 BEADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000113512843 383988333 /nfs/dbraw/zinc/98/83/33/383988333.db2.gz GLQHKEJUHZKUHA-ZDUSSCGKSA-N 2 2 236.334 2.209 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccco1 ZINC000037649096 383990125 /nfs/dbraw/zinc/99/01/25/383990125.db2.gz QIYNEAXCBTWPQI-NEPJUHHUSA-N 2 2 234.343 2.415 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000037649096 383990132 /nfs/dbraw/zinc/99/01/32/383990132.db2.gz QIYNEAXCBTWPQI-NEPJUHHUSA-N 2 2 234.343 2.415 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234190371 383997484 /nfs/dbraw/zinc/99/74/84/383997484.db2.gz SJNJUONYICOLQW-CQSZACIVSA-N 2 2 218.344 2.091 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000037140859 383944746 /nfs/dbraw/zinc/94/47/46/383944746.db2.gz ZMVLETYKDJGPGX-GFCCVEGCSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000070652735 383952374 /nfs/dbraw/zinc/95/23/74/383952374.db2.gz RRBBVQLKKYUXCM-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000070652735 383952378 /nfs/dbraw/zinc/95/23/78/383952378.db2.gz RRBBVQLKKYUXCM-RYUDHWBXSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC000070911496 383958988 /nfs/dbraw/zinc/95/89/88/383958988.db2.gz CBUKKPVMTFATTE-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000070911496 383958999 /nfs/dbraw/zinc/95/89/99/383958999.db2.gz CBUKKPVMTFATTE-IUCAKERBSA-N 2 2 224.270 2.141 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000037213834 383959942 /nfs/dbraw/zinc/95/99/42/383959942.db2.gz BCZRSVBWTKKRAV-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000037213834 383959949 /nfs/dbraw/zinc/95/99/49/383959949.db2.gz BCZRSVBWTKKRAV-QWHCGFSZSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(O)c1 ZINC000037267112 383968494 /nfs/dbraw/zinc/96/84/94/383968494.db2.gz SFNRPFRKROOXKS-LLVKDONJSA-N 2 2 234.343 2.137 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000293863173 383976854 /nfs/dbraw/zinc/97/68/54/383976854.db2.gz XVXLBEHHBLOBKC-RWMBFGLXSA-N 2 2 236.359 2.406 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000293863173 383976863 /nfs/dbraw/zinc/97/68/63/383976863.db2.gz XVXLBEHHBLOBKC-RWMBFGLXSA-N 2 2 236.359 2.406 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000293863175 383977054 /nfs/dbraw/zinc/97/70/54/383977054.db2.gz XVXLBEHHBLOBKC-YNEHKIRRSA-N 2 2 236.359 2.406 20 0 BEADLP Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000293863175 383977060 /nfs/dbraw/zinc/97/70/60/383977060.db2.gz XVXLBEHHBLOBKC-YNEHKIRRSA-N 2 2 236.359 2.406 20 0 BEADLP c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000643545357 384011392 /nfs/dbraw/zinc/01/13/92/384011392.db2.gz DXOGIEWSVCGHNZ-UONOGXRCSA-N 2 2 245.370 2.191 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000564634039 384013979 /nfs/dbraw/zinc/01/39/79/384013979.db2.gz WKUPFOFBPZQVRY-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000564634039 384013986 /nfs/dbraw/zinc/01/39/86/384013986.db2.gz WKUPFOFBPZQVRY-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP Cn1c[nH+]cc1CNc1cccc(C[NH+](C)C)c1 ZINC000090165607 384031998 /nfs/dbraw/zinc/03/19/98/384031998.db2.gz ROHVGYRXRVWNLD-UHFFFAOYSA-N 2 2 244.342 2.094 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)no1 ZINC000643547802 384036358 /nfs/dbraw/zinc/03/63/58/384036358.db2.gz JEBZKTRQHSVAHY-VXGBXAGGSA-N 2 2 249.358 2.308 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647218420 384061768 /nfs/dbraw/zinc/06/17/68/384061768.db2.gz LVNQOZDNSPQYBL-NSHDSACASA-N 2 2 232.318 2.248 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647218420 384061775 /nfs/dbraw/zinc/06/17/75/384061775.db2.gz LVNQOZDNSPQYBL-NSHDSACASA-N 2 2 232.318 2.248 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647218419 384062094 /nfs/dbraw/zinc/06/20/94/384062094.db2.gz LVNQOZDNSPQYBL-LLVKDONJSA-N 2 2 232.318 2.248 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000647218419 384062101 /nfs/dbraw/zinc/06/21/01/384062101.db2.gz LVNQOZDNSPQYBL-LLVKDONJSA-N 2 2 232.318 2.248 20 0 BEADLP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)no1 ZINC000336528450 384062315 /nfs/dbraw/zinc/06/23/15/384062315.db2.gz BHWWROWEVWTJEN-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)no1 ZINC000336528450 384062318 /nfs/dbraw/zinc/06/23/18/384062318.db2.gz BHWWROWEVWTJEN-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000163175329 384069323 /nfs/dbraw/zinc/06/93/23/384069323.db2.gz FCAMMLPCTXFNIB-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000163175329 384069326 /nfs/dbraw/zinc/06/93/26/384069326.db2.gz FCAMMLPCTXFNIB-VIFPVBQESA-N 2 2 242.725 2.260 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1C ZINC000090720416 384071298 /nfs/dbraw/zinc/07/12/98/384071298.db2.gz JTZPWBHXVXHRFZ-DGCLKSJQSA-N 2 2 236.334 2.398 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@H+]1C ZINC000090720416 384071301 /nfs/dbraw/zinc/07/13/01/384071301.db2.gz JTZPWBHXVXHRFZ-DGCLKSJQSA-N 2 2 236.334 2.398 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000116381109 384130015 /nfs/dbraw/zinc/13/00/15/384130015.db2.gz ZCOVMVRHIVVOSK-AWEZNQCLSA-N 2 2 220.360 2.159 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313249412 384150990 /nfs/dbraw/zinc/15/09/90/384150990.db2.gz AIMDAPPZZALJBQ-NEPJUHHUSA-N 2 2 221.348 2.131 20 0 BEADLP C[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313249415 384151546 /nfs/dbraw/zinc/15/15/46/384151546.db2.gz AIMDAPPZZALJBQ-VXGBXAGGSA-N 2 2 221.348 2.131 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000041063705 384175750 /nfs/dbraw/zinc/17/57/50/384175750.db2.gz IWDVXPHTBOEYJX-OAHLLOKOSA-N 2 2 241.338 2.030 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)o1 ZINC000041042092 384175931 /nfs/dbraw/zinc/17/59/31/384175931.db2.gz GQCLPNHXLYKSND-LLVKDONJSA-N 2 2 219.288 2.135 20 0 BEADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000092195592 384167993 /nfs/dbraw/zinc/16/79/93/384167993.db2.gz XVIUHOHETWMUMR-NSHDSACASA-N 2 2 248.305 2.158 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000163213702 384177444 /nfs/dbraw/zinc/17/74/44/384177444.db2.gz FGNUTDODWHLUQN-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000163213702 384177447 /nfs/dbraw/zinc/17/74/47/384177447.db2.gz FGNUTDODWHLUQN-VHSXEESVSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cncs1 ZINC000132383433 384227695 /nfs/dbraw/zinc/22/76/95/384227695.db2.gz HFIHJICWKUMGGX-ZJUUUORDSA-N 2 2 236.344 2.079 20 0 BEADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000313279383 384228475 /nfs/dbraw/zinc/22/84/75/384228475.db2.gz CRHYRMAHBIYJAO-YRGRVCCFSA-N 2 2 235.375 2.377 20 0 BEADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])s1 ZINC000644166664 384255632 /nfs/dbraw/zinc/25/56/32/384255632.db2.gz PEEUVSTVOVMTMZ-JMJZKYOTSA-N 2 2 239.388 2.372 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)C ZINC000082858852 384269968 /nfs/dbraw/zinc/26/99/68/384269968.db2.gz LOMVXXOMXCASGN-LPWJVIDDSA-N 2 2 212.381 2.351 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000082859322 384271124 /nfs/dbraw/zinc/27/11/24/384271124.db2.gz FBKPFOKVPGGGRU-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000082859322 384271126 /nfs/dbraw/zinc/27/11/26/384271126.db2.gz FBKPFOKVPGGGRU-RWMBFGLXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nccs1 ZINC000083143162 384283361 /nfs/dbraw/zinc/28/33/61/384283361.db2.gz CVQUGPMGCSNYSV-UWVGGRQHSA-N 2 2 227.377 2.134 20 0 BEADLP C[C@H]1CCN(c2cccc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000134161063 384337731 /nfs/dbraw/zinc/33/77/31/384337731.db2.gz FNCKMIASIUHESB-STQMWFEESA-N 2 2 242.326 2.366 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)Cn1cc[nH+]c1 ZINC000120363463 384350108 /nfs/dbraw/zinc/35/01/08/384350108.db2.gz TUUXHFCMFIUIIQ-ZIAGYGMSSA-N 2 2 233.359 2.465 20 0 BEADLP C/C=C/C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000384731401 384361958 /nfs/dbraw/zinc/36/19/58/384361958.db2.gz JREPKWHATHVVIJ-NSCUHMNNSA-N 2 2 231.343 2.216 20 0 BEADLP C/C=C\C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000384731400 384362610 /nfs/dbraw/zinc/36/26/10/384362610.db2.gz JREPKWHATHVVIJ-IHWYPQMZSA-N 2 2 231.343 2.216 20 0 BEADLP CCC1CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335599777 384370699 /nfs/dbraw/zinc/37/06/99/384370699.db2.gz SAYNHVGNNNTWOY-YVNMAJEFSA-N 2 2 219.332 2.045 20 0 BEADLP CCC1CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335599777 384370702 /nfs/dbraw/zinc/37/07/02/384370702.db2.gz SAYNHVGNNNTWOY-YVNMAJEFSA-N 2 2 219.332 2.045 20 0 BEADLP Cc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000134587301 384370959 /nfs/dbraw/zinc/37/09/59/384370959.db2.gz UDLKHUMWTQHNFQ-GFCCVEGCSA-N 2 2 247.342 2.027 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)s1 ZINC000335641803 384414291 /nfs/dbraw/zinc/41/42/91/384414291.db2.gz FBOMCOGRGQHBHH-ZYHUDNBSSA-N 2 2 224.373 2.287 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000335641802 384414528 /nfs/dbraw/zinc/41/45/28/384414528.db2.gz FBOMCOGRGQHBHH-PWSUYJOCSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000335644061 384415777 /nfs/dbraw/zinc/41/57/77/384415777.db2.gz OAMMOSLZWACWQO-TVQRCGJNSA-N 2 2 240.297 2.195 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000335644258 384416306 /nfs/dbraw/zinc/41/63/06/384416306.db2.gz RYIMZEHQRKLQTP-ZWNOBZJWSA-N 2 2 222.307 2.056 20 0 BEADLP [NH3+]C[C@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000084213450 384377611 /nfs/dbraw/zinc/37/76/11/384377611.db2.gz SWILFNYZLYLOQU-MNOVXSKESA-N 2 2 205.305 2.011 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000335606483 384381186 /nfs/dbraw/zinc/38/11/86/384381186.db2.gz ORYKGDDCNBOJDS-CABZTGNLSA-N 2 2 224.373 2.096 20 0 BEADLP Cc1cscc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000335606483 384381191 /nfs/dbraw/zinc/38/11/91/384381191.db2.gz ORYKGDDCNBOJDS-CABZTGNLSA-N 2 2 224.373 2.096 20 0 BEADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000223200108 384445371 /nfs/dbraw/zinc/44/53/71/384445371.db2.gz KJOZPBRTQWOSKY-NEPJUHHUSA-N 2 2 238.350 2.296 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312744309 384453450 /nfs/dbraw/zinc/45/34/50/384453450.db2.gz LGGADQFBIWZYSS-MRVPVSSYSA-N 2 2 218.753 2.228 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312744250 384453560 /nfs/dbraw/zinc/45/35/60/384453560.db2.gz KPHCIHLQTSOWML-UHFFFAOYSA-N 2 2 218.753 2.228 20 0 BEADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccsc1Cl ZINC000312749712 384458052 /nfs/dbraw/zinc/45/80/52/384458052.db2.gz UKVXNXQNDJCPJT-VIFPVBQESA-N 2 2 232.780 2.474 20 0 BEADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1(C)CC1 ZINC000556609521 384439559 /nfs/dbraw/zinc/43/95/59/384439559.db2.gz PFBAVOMLJBPVBG-NSHDSACASA-N 2 2 233.359 2.498 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cscn1 ZINC000161155630 384471035 /nfs/dbraw/zinc/47/10/35/384471035.db2.gz GDYUOKLBEKLRQL-VHSXEESVSA-N 2 2 236.344 2.079 20 0 BEADLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccsc1Cl ZINC000312761724 384476284 /nfs/dbraw/zinc/47/62/84/384476284.db2.gz IQBMCQUBEFTYHJ-QMMMGPOBSA-N 2 2 232.780 2.347 20 0 BEADLP CC1=CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000556812128 384499632 /nfs/dbraw/zinc/49/96/32/384499632.db2.gz JQURQQBNUITFFC-GFCCVEGCSA-N 2 2 210.365 2.415 20 0 BEADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1(C)CC1 ZINC000037468597 384499770 /nfs/dbraw/zinc/49/97/70/384499770.db2.gz CMURFHVCZVPXIE-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000019398253 384518345 /nfs/dbraw/zinc/51/83/45/384518345.db2.gz HQHPPTRZIAGMNY-LBPRGKRZSA-N 2 2 220.360 2.461 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449555371 384523112 /nfs/dbraw/zinc/52/31/12/384523112.db2.gz RIGKPOJMIGOKGN-XPCVCDNBSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449555371 384523117 /nfs/dbraw/zinc/52/31/17/384523117.db2.gz RIGKPOJMIGOKGN-XPCVCDNBSA-N 2 2 236.403 2.493 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)C1 ZINC000449558375 384531140 /nfs/dbraw/zinc/53/11/40/384531140.db2.gz XHELHFQEAFUAFX-RFGFWPKPSA-N 2 2 224.392 2.208 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[C@H]2C(C)C)C1 ZINC000449558375 384531144 /nfs/dbraw/zinc/53/11/44/384531144.db2.gz XHELHFQEAFUAFX-RFGFWPKPSA-N 2 2 224.392 2.208 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(Cl)c1Cl ZINC000162082023 384549030 /nfs/dbraw/zinc/54/90/30/384549030.db2.gz AYTYJWVGJOAKJK-ZETCQYMHSA-N 2 2 233.142 2.430 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000150058337 384555172 /nfs/dbraw/zinc/55/51/72/384555172.db2.gz MVMJMMPQCYYCPJ-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000150058337 384555178 /nfs/dbraw/zinc/55/51/78/384555178.db2.gz MVMJMMPQCYYCPJ-CQSZACIVSA-N 2 2 218.344 2.097 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000309714852 384556686 /nfs/dbraw/zinc/55/66/86/384556686.db2.gz SKJPEHSJWFLPKS-WUHRBBMRSA-N 2 2 242.432 2.200 20 0 BEADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000309714852 384556694 /nfs/dbraw/zinc/55/66/94/384556694.db2.gz SKJPEHSJWFLPKS-WUHRBBMRSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309736457 384571530 /nfs/dbraw/zinc/57/15/30/384571530.db2.gz GPSFDKMRLKPKBQ-ONGXEEELSA-N 2 2 219.332 2.045 20 0 BEADLP C[C@@H](CC1CC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309736457 384571537 /nfs/dbraw/zinc/57/15/37/384571537.db2.gz GPSFDKMRLKPKBQ-ONGXEEELSA-N 2 2 219.332 2.045 20 0 BEADLP CCc1ccccc1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066805 384580534 /nfs/dbraw/zinc/58/05/34/384580534.db2.gz UCOMCLRZLUKSLO-GDBMZVCRSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccccc1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066805 384580540 /nfs/dbraw/zinc/58/05/40/384580540.db2.gz UCOMCLRZLUKSLO-GDBMZVCRSA-N 2 2 244.382 2.433 20 0 BEADLP CC(C)=CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000309782382 384605791 /nfs/dbraw/zinc/60/57/91/384605791.db2.gz NFOWLWCHBYWBBP-JSGCOSHPSA-N 2 2 222.376 2.415 20 0 BEADLP CC(C)=CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000309782382 384605793 /nfs/dbraw/zinc/60/57/93/384605793.db2.gz NFOWLWCHBYWBBP-JSGCOSHPSA-N 2 2 222.376 2.415 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000309791592 384610941 /nfs/dbraw/zinc/61/09/41/384610941.db2.gz PHMYDHHNZCMJDM-GXTWGEPZSA-N 2 2 218.344 2.035 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000309791592 384610944 /nfs/dbraw/zinc/61/09/44/384610944.db2.gz PHMYDHHNZCMJDM-GXTWGEPZSA-N 2 2 218.344 2.035 20 0 BEADLP CCc1ncc(C[NH+]2CCC(C)([NH3+])CC2)s1 ZINC000647531454 384620821 /nfs/dbraw/zinc/62/08/21/384620821.db2.gz XVILGTHKGGKHAN-UHFFFAOYSA-N 2 2 239.388 2.019 20 0 BEADLP C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600309 384591448 /nfs/dbraw/zinc/59/14/48/384591448.db2.gz JHWVPVWHJYBGIB-NWDGAFQWSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1[nH]cc[nH+]1 ZINC000367600309 384591454 /nfs/dbraw/zinc/59/14/54/384591454.db2.gz JHWVPVWHJYBGIB-NWDGAFQWSA-N 2 2 248.374 2.077 20 0 BEADLP Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c(C)[nH+]1 ZINC000261627764 384668302 /nfs/dbraw/zinc/66/83/02/384668302.db2.gz BKUAEYBBUBUHMU-NWDGAFQWSA-N 2 2 247.342 2.154 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)s1 ZINC000647533574 384644079 /nfs/dbraw/zinc/64/40/79/384644079.db2.gz UVROYELCOVSQMM-WCQYABFASA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)s1 ZINC000647533574 384644086 /nfs/dbraw/zinc/64/40/86/384644086.db2.gz UVROYELCOVSQMM-WCQYABFASA-N 2 2 236.384 2.240 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358082979 384647453 /nfs/dbraw/zinc/64/74/53/384647453.db2.gz OPZRPGHNQJLYFM-OCCSQVGLSA-N 2 2 248.370 2.125 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358082979 384647460 /nfs/dbraw/zinc/64/74/60/384647460.db2.gz OPZRPGHNQJLYFM-OCCSQVGLSA-N 2 2 248.370 2.125 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086728496 384677863 /nfs/dbraw/zinc/67/78/63/384677863.db2.gz NRLBIJIXTOBBFX-WCQYABFASA-N 2 2 204.317 2.008 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c(C)s1 ZINC000086727549 384678603 /nfs/dbraw/zinc/67/86/03/384678603.db2.gz TZHDUSHYGYLFGO-MWLCHTKSSA-N 2 2 224.373 2.377 20 0 BEADLP CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101566870 384680056 /nfs/dbraw/zinc/68/00/56/384680056.db2.gz XZFVBLRIIAZAJP-UHFFFAOYSA-N 2 2 215.300 2.324 20 0 BEADLP CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101566870 384680062 /nfs/dbraw/zinc/68/00/62/384680062.db2.gz XZFVBLRIIAZAJP-UHFFFAOYSA-N 2 2 215.300 2.324 20 0 BEADLP CC[C@H](C[NH2+][C@H](COC)C(C)C)[NH+]1CCCC1 ZINC000151704005 384714768 /nfs/dbraw/zinc/71/47/68/384714768.db2.gz MOIBRLXZROEETP-ZIAGYGMSSA-N 2 2 242.407 2.121 20 0 BEADLP c1ccc(NCCNc2cccc[nH+]2)[nH+]c1 ZINC000143696502 384742180 /nfs/dbraw/zinc/74/21/80/384742180.db2.gz WZNXJKCIJMLBAE-UHFFFAOYSA-N 2 2 214.272 2.001 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053344151 384746839 /nfs/dbraw/zinc/74/68/39/384746839.db2.gz UBYFEMSJMSVJEL-UHFFFAOYSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C(C1CC1)C1CC1 ZINC000053344151 384746848 /nfs/dbraw/zinc/74/68/48/384746848.db2.gz UBYFEMSJMSVJEL-UHFFFAOYSA-N 2 2 210.365 2.105 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000174229382 384767634 /nfs/dbraw/zinc/76/76/34/384767634.db2.gz MZSGTUJFPOWTIK-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000174229382 384767641 /nfs/dbraw/zinc/76/76/41/384767641.db2.gz MZSGTUJFPOWTIK-OAHLLOKOSA-N 2 2 247.386 2.245 20 0 BEADLP Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553887 384767756 /nfs/dbraw/zinc/76/77/56/384767756.db2.gz MECKYWHSPFXPTG-AWEZNQCLSA-N 2 2 246.354 2.157 20 0 BEADLP Cc1ncccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554215 384770881 /nfs/dbraw/zinc/77/08/81/384770881.db2.gz UEZDNBGOLWRIDG-AWEZNQCLSA-N 2 2 245.370 2.154 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000054110413 384823079 /nfs/dbraw/zinc/82/30/79/384823079.db2.gz UGTAHDMNLNYTEL-HNNXBMFYSA-N 2 2 232.371 2.085 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000054110413 384823085 /nfs/dbraw/zinc/82/30/85/384823085.db2.gz UGTAHDMNLNYTEL-HNNXBMFYSA-N 2 2 232.371 2.085 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000312879674 384827164 /nfs/dbraw/zinc/82/71/64/384827164.db2.gz PBXZGOVOWJWSHU-BQBZGAKWSA-N 2 2 218.753 2.227 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nc1C ZINC000314149337 384828732 /nfs/dbraw/zinc/82/87/32/384828732.db2.gz KSOJBPBDTBWESB-OCCSQVGLSA-N 2 2 247.386 2.271 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nc1C ZINC000314149337 384828738 /nfs/dbraw/zinc/82/87/38/384828738.db2.gz KSOJBPBDTBWESB-OCCSQVGLSA-N 2 2 247.386 2.271 20 0 BEADLP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000423250932 384782339 /nfs/dbraw/zinc/78/23/39/384782339.db2.gz RFSCMSMDLMMBOD-RRFJBIMHSA-N 2 2 230.355 2.465 20 0 BEADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CS1 ZINC000277288749 384783277 /nfs/dbraw/zinc/78/32/77/384783277.db2.gz RAQHADHIWTZBGL-NEPJUHHUSA-N 2 2 239.388 2.003 20 0 BEADLP CC[N@H+](CC[NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000053377236 384786786 /nfs/dbraw/zinc/78/67/86/384786786.db2.gz QJMRBJURAACUJN-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+]C(C1CC1)C1CC1)C1CC1 ZINC000053377236 384786795 /nfs/dbraw/zinc/78/67/95/384786795.db2.gz QJMRBJURAACUJN-UHFFFAOYSA-N 2 2 222.376 2.249 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000310022317 384791065 /nfs/dbraw/zinc/79/10/65/384791065.db2.gz NZUJLXTZRUIBSU-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000310022317 384791069 /nfs/dbraw/zinc/79/10/69/384791069.db2.gz NZUJLXTZRUIBSU-CHWSQXEVSA-N 2 2 224.392 2.497 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000310036694 384803001 /nfs/dbraw/zinc/80/30/01/384803001.db2.gz UNGQLOKXKFWFQS-ABXWRUBCSA-N 2 2 224.392 2.493 20 0 BEADLP CCC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000310036694 384803011 /nfs/dbraw/zinc/80/30/11/384803011.db2.gz UNGQLOKXKFWFQS-ABXWRUBCSA-N 2 2 224.392 2.493 20 0 BEADLP CC[C@@H](C)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000126776192 384804863 /nfs/dbraw/zinc/80/48/63/384804863.db2.gz PHYLRENOPDLMRS-NEPJUHHUSA-N 2 2 209.337 2.155 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000335497642 384878728 /nfs/dbraw/zinc/87/87/28/384878728.db2.gz VYUPYNWVABUQQN-LDYMZIIASA-N 2 2 240.347 2.299 20 0 BEADLP C[C@@H](C[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC000084547927 384879792 /nfs/dbraw/zinc/87/97/92/384879792.db2.gz PTXPIIGOJMDTNN-RSPDNQDQSA-N 2 2 218.344 2.240 20 0 BEADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000398211282 384844648 /nfs/dbraw/zinc/84/46/48/384844648.db2.gz SJCOQXGCGXWQOX-MFKMUULPSA-N 2 2 204.317 2.075 20 0 BEADLP C[NH+](C)CC(C)(C)[NH2+]CCC(C)(C)C ZINC000308607085 384862901 /nfs/dbraw/zinc/86/29/01/384862901.db2.gz GSMZTPYJYNTGRK-UHFFFAOYSA-N 2 2 200.370 2.352 20 0 BEADLP C([N@@H+]1CCC[C@@H]1C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000634992545 384898134 /nfs/dbraw/zinc/89/81/34/384898134.db2.gz SQRNKJGXCGOBBS-HNFVBEJKSA-N 2 2 234.387 2.393 20 0 BEADLP C([N@H+]1CCC[C@@H]1C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000634992545 384898140 /nfs/dbraw/zinc/89/81/40/384898140.db2.gz SQRNKJGXCGOBBS-HNFVBEJKSA-N 2 2 234.387 2.393 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccns1 ZINC000404314133 384969890 /nfs/dbraw/zinc/96/98/90/384969890.db2.gz AHPCYXFZHIFWPP-UHFFFAOYSA-N 2 2 233.340 2.179 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323656 384997471 /nfs/dbraw/zinc/99/74/71/384997471.db2.gz VYBVHHNPDZRPCJ-WCQYABFASA-N 2 2 204.317 2.089 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@@H](C)CC(C)C ZINC000300867684 385007273 /nfs/dbraw/zinc/00/72/73/385007273.db2.gz HFPVVECHBKBZCO-LBPRGKRZSA-N 2 2 200.370 2.210 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@@H](C)CC(C)C ZINC000300867684 385007279 /nfs/dbraw/zinc/00/72/79/385007279.db2.gz HFPVVECHBKBZCO-LBPRGKRZSA-N 2 2 200.370 2.210 20 0 BEADLP CCC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130159862 385019351 /nfs/dbraw/zinc/01/93/51/385019351.db2.gz PAJVWLKGDJQKNB-HIFPTAJRSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086845105 385051685 /nfs/dbraw/zinc/05/16/85/385051685.db2.gz CNNWDHRCFMSENW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086845105 385051687 /nfs/dbraw/zinc/05/16/87/385051687.db2.gz CNNWDHRCFMSENW-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000157058560 385056524 /nfs/dbraw/zinc/05/65/24/385056524.db2.gz JBNGQOVWUHISAN-CQSZACIVSA-N 2 2 236.334 2.447 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000157058560 385056529 /nfs/dbraw/zinc/05/65/29/385056529.db2.gz JBNGQOVWUHISAN-CQSZACIVSA-N 2 2 236.334 2.447 20 0 BEADLP C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000157078659 385063532 /nfs/dbraw/zinc/06/35/32/385063532.db2.gz ICKBUWRRRHGDEX-UHFFFAOYSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1nc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000226927614 385074473 /nfs/dbraw/zinc/07/44/73/385074473.db2.gz GSEGQJJEOURWBQ-GXSJLCMTSA-N 2 2 239.388 2.011 20 0 BEADLP Cc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000226927614 385074478 /nfs/dbraw/zinc/07/44/78/385074478.db2.gz GSEGQJJEOURWBQ-GXSJLCMTSA-N 2 2 239.388 2.011 20 0 BEADLP CC(C)[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151492675 385115302 /nfs/dbraw/zinc/11/53/02/385115302.db2.gz ZGVHNQYCNYLFKH-LBPRGKRZSA-N 2 2 244.342 2.401 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000227086750 385088692 /nfs/dbraw/zinc/08/86/92/385088692.db2.gz OICBJEAPPOWDLN-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000227086750 385088698 /nfs/dbraw/zinc/08/86/98/385088698.db2.gz OICBJEAPPOWDLN-MELADBBJSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC1(C)C ZINC000308785470 385102348 /nfs/dbraw/zinc/10/23/48/385102348.db2.gz FHTJKDRJXBFWTN-GHMZBOCLSA-N 2 2 207.321 2.050 20 0 BEADLP Cc1ccc(CCC[N@@H+]2C[C@H](C)C[C@@H](O)C2)c[nH+]1 ZINC000449769134 385191240 /nfs/dbraw/zinc/19/12/40/385191240.db2.gz CSNFOIOOODDMRQ-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2C[C@H](C)C[C@@H](O)C2)c[nH+]1 ZINC000449769134 385191246 /nfs/dbraw/zinc/19/12/46/385191246.db2.gz CSNFOIOOODDMRQ-IUODEOHRSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000164638199 385195059 /nfs/dbraw/zinc/19/50/59/385195059.db2.gz VOJNGOVLOGTOQE-NEPJUHHUSA-N 2 2 219.332 2.333 20 0 BEADLP CC(C)CCC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000162089176 385173011 /nfs/dbraw/zinc/17/30/11/385173011.db2.gz UUKJQHNYUNJGSB-GFCCVEGCSA-N 2 2 209.337 2.297 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019843376 385256223 /nfs/dbraw/zinc/25/62/23/385256223.db2.gz CESZHGQRAMAWTC-CYBMUJFWSA-N 2 2 222.307 2.139 20 0 BEADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000019843376 385256231 /nfs/dbraw/zinc/25/62/31/385256231.db2.gz CESZHGQRAMAWTC-CYBMUJFWSA-N 2 2 222.307 2.139 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000130065829 385214665 /nfs/dbraw/zinc/21/46/65/385214665.db2.gz WNKXIZMTEHWPET-OLZOCXBDSA-N 2 2 220.360 2.330 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000310967423 385257813 /nfs/dbraw/zinc/25/78/13/385257813.db2.gz VDMCRXYMDIUQBS-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000310967423 385257819 /nfs/dbraw/zinc/25/78/19/385257819.db2.gz VDMCRXYMDIUQBS-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@@H](CCC[NH3+])Nc1ccc(N2CCCC2)[nH+]c1 ZINC000310964013 385255143 /nfs/dbraw/zinc/25/51/43/385255143.db2.gz AXDMEQZBPVGEPM-LBPRGKRZSA-N 2 2 248.374 2.221 20 0 BEADLP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000308935122 385303156 /nfs/dbraw/zinc/30/31/56/385303156.db2.gz KRNDKKYMXYFXPT-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000308914704 385281516 /nfs/dbraw/zinc/28/15/16/385281516.db2.gz AYTJQBNWTZVLHQ-NTZNESFSSA-N 2 2 210.365 2.103 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000308914704 385281522 /nfs/dbraw/zinc/28/15/22/385281522.db2.gz AYTJQBNWTZVLHQ-NTZNESFSSA-N 2 2 210.365 2.103 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)C1CC1 ZINC000308906315 385282565 /nfs/dbraw/zinc/28/25/65/385282565.db2.gz CPILBGKZQPPKCM-WCFLWFBJSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)C1CC1 ZINC000308906315 385282571 /nfs/dbraw/zinc/28/25/71/385282571.db2.gz CPILBGKZQPPKCM-WCFLWFBJSA-N 2 2 210.365 2.247 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000308921675 385293768 /nfs/dbraw/zinc/29/37/68/385293768.db2.gz HGBARCXBIWRZSA-VHSXEESVSA-N 2 2 207.321 2.045 20 0 BEADLP CCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000308921675 385293774 /nfs/dbraw/zinc/29/37/74/385293774.db2.gz HGBARCXBIWRZSA-VHSXEESVSA-N 2 2 207.321 2.045 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400801472 533114453 /nfs/dbraw/zinc/11/44/53/533114453.db2.gz USUYENNMOZACLD-LALPHHSUSA-N 2 2 248.370 2.486 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000335358369 385347590 /nfs/dbraw/zinc/34/75/90/385347590.db2.gz OAMMOSLZWACWQO-ZANVPECISA-N 2 2 240.297 2.195 20 0 BEADLP Cc1ccsc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000335356782 385351529 /nfs/dbraw/zinc/35/15/29/385351529.db2.gz HHYLSAHJHFQTID-QWRGUYRKSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)C1CCC1 ZINC000309015070 385371305 /nfs/dbraw/zinc/37/13/05/385371305.db2.gz UCPPFCFXIMBAQU-GMXVVIOVSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)C1CCC1 ZINC000309015070 385371307 /nfs/dbraw/zinc/37/13/07/385371307.db2.gz UCPPFCFXIMBAQU-GMXVVIOVSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000168613160 385378640 /nfs/dbraw/zinc/37/86/40/385378640.db2.gz DGSWCETUTKZKLX-SWLSCSKDSA-N 2 2 232.371 2.084 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(O)c1 ZINC000193858957 385415433 /nfs/dbraw/zinc/41/54/33/385415433.db2.gz SHSDDRVKLKPUNQ-AAEUAGOBSA-N 2 2 234.343 2.137 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(O)c1 ZINC000193858957 385415434 /nfs/dbraw/zinc/41/54/34/385415434.db2.gz SHSDDRVKLKPUNQ-AAEUAGOBSA-N 2 2 234.343 2.137 20 0 BEADLP CCSCC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000371908907 385420442 /nfs/dbraw/zinc/42/04/42/385420442.db2.gz IJUJINKXARCPQV-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CCSCC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000371908907 385420443 /nfs/dbraw/zinc/42/04/43/385420443.db2.gz IJUJINKXARCPQV-LBPRGKRZSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000309193273 385457781 /nfs/dbraw/zinc/45/77/81/385457781.db2.gz QBGBRVJKHPNPEX-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000309193273 385457784 /nfs/dbraw/zinc/45/77/84/385457784.db2.gz QBGBRVJKHPNPEX-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccco1 ZINC000170793484 385446519 /nfs/dbraw/zinc/44/65/19/385446519.db2.gz QQUITVYLQJEGAD-UHFFFAOYSA-N 2 2 222.332 2.197 20 0 BEADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccco1 ZINC000170793484 385446523 /nfs/dbraw/zinc/44/65/23/385446523.db2.gz QQUITVYLQJEGAD-UHFFFAOYSA-N 2 2 222.332 2.197 20 0 BEADLP C[N@H+](CC[NH3+])CCOc1cccc2ccccc21 ZINC000077396714 385453469 /nfs/dbraw/zinc/45/34/69/385453469.db2.gz QHCLCMSYBYECRJ-UHFFFAOYSA-N 2 2 244.338 2.109 20 0 BEADLP C[N@@H+](CC[NH3+])CCOc1cccc2ccccc21 ZINC000077396714 385453475 /nfs/dbraw/zinc/45/34/75/385453475.db2.gz QHCLCMSYBYECRJ-UHFFFAOYSA-N 2 2 244.338 2.109 20 0 BEADLP Cc1ccc(CCCN2CC[NH2+]CC2(C)C)c[nH+]1 ZINC000647500768 385453540 /nfs/dbraw/zinc/45/35/40/385453540.db2.gz HCPXRHQVYNMLGB-UHFFFAOYSA-N 2 2 247.386 2.006 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)CCC[N@@H+]1C ZINC000309144296 385434952 /nfs/dbraw/zinc/43/49/52/385434952.db2.gz URDQASBANGIECO-IJLUTSLNSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)CCC[N@H+]1C ZINC000309144296 385434955 /nfs/dbraw/zinc/43/49/55/385434955.db2.gz URDQASBANGIECO-IJLUTSLNSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC2(C)C)CCC[N@@H+]1C ZINC000309144298 385435148 /nfs/dbraw/zinc/43/51/48/385435148.db2.gz URDQASBANGIECO-WOPDTQHZSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC2(C)C)CCC[N@H+]1C ZINC000309144298 385435151 /nfs/dbraw/zinc/43/51/51/385435151.db2.gz URDQASBANGIECO-WOPDTQHZSA-N 2 2 210.365 2.247 20 0 BEADLP CCC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)CC ZINC000309193274 385457561 /nfs/dbraw/zinc/45/75/61/385457561.db2.gz QBGBRVJKHPNPEX-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000309193274 385457563 /nfs/dbraw/zinc/45/75/63/385457563.db2.gz QBGBRVJKHPNPEX-QWHCGFSZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000054081094 385464829 /nfs/dbraw/zinc/46/48/29/385464829.db2.gz ILNOSDQQSMWHOM-LLVKDONJSA-N 2 2 207.321 2.051 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000106868301 385535551 /nfs/dbraw/zinc/53/55/51/385535551.db2.gz XIRDNUQQZHUFSI-QWHCGFSZSA-N 2 2 234.343 2.304 20 0 BEADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000106868301 385535555 /nfs/dbraw/zinc/53/55/55/385535555.db2.gz XIRDNUQQZHUFSI-QWHCGFSZSA-N 2 2 234.343 2.304 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccncn1 ZINC000453136183 385545387 /nfs/dbraw/zinc/54/53/87/385545387.db2.gz PTKCLUUMKPZTOY-XQQFMLRXSA-N 2 2 248.374 2.000 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccncn1 ZINC000453136181 385545848 /nfs/dbraw/zinc/54/58/48/385545848.db2.gz PTKCLUUMKPZTOY-RWMBFGLXSA-N 2 2 248.374 2.000 20 0 BEADLP CC[NH+](CC)[C@H]1CCN(c2cccc(C)[nH+]2)C1 ZINC000157780638 385521934 /nfs/dbraw/zinc/52/19/34/385521934.db2.gz JSLJCRVSINDZSM-ZDUSSCGKSA-N 2 2 233.359 2.311 20 0 BEADLP Cc1ccsc1CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309356245 385548322 /nfs/dbraw/zinc/54/83/22/385548322.db2.gz AFOJIIFAJLVQBM-NEPJUHHUSA-N 2 2 238.400 2.139 20 0 BEADLP Cc1ccsc1CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309356245 385548324 /nfs/dbraw/zinc/54/83/24/385548324.db2.gz AFOJIIFAJLVQBM-NEPJUHHUSA-N 2 2 238.400 2.139 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1C=CCCC1 ZINC000181112891 385564488 /nfs/dbraw/zinc/56/44/88/385564488.db2.gz VWXKHMBPJLFSNQ-CYBMUJFWSA-N 2 2 219.332 2.314 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C=CCCC1 ZINC000181112891 385564489 /nfs/dbraw/zinc/56/44/89/385564489.db2.gz VWXKHMBPJLFSNQ-CYBMUJFWSA-N 2 2 219.332 2.314 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000309430870 385579916 /nfs/dbraw/zinc/57/99/16/385579916.db2.gz MKGJKAPVFSTOTG-GFCCVEGCSA-N 2 2 236.384 2.383 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000309430870 385579918 /nfs/dbraw/zinc/57/99/18/385579918.db2.gz MKGJKAPVFSTOTG-GFCCVEGCSA-N 2 2 236.384 2.383 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182057291 385632479 /nfs/dbraw/zinc/63/24/79/385632479.db2.gz GIDLUPBZBXNXML-CQSZACIVSA-N 2 2 234.387 2.407 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182057291 385632484 /nfs/dbraw/zinc/63/24/84/385632484.db2.gz GIDLUPBZBXNXML-CQSZACIVSA-N 2 2 234.387 2.407 20 0 BEADLP Cc1ccc(N[C@H](C)CCCC[NH3+])c[nH+]1 ZINC000336681406 385635139 /nfs/dbraw/zinc/63/51/39/385635139.db2.gz JCRMBNINEHGTCM-LLVKDONJSA-N 2 2 207.321 2.319 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000336676843 385607514 /nfs/dbraw/zinc/60/75/14/385607514.db2.gz BYGKTXOULSXSPM-RYUDHWBXSA-N 2 2 221.348 2.222 20 0 BEADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764594 385656991 /nfs/dbraw/zinc/65/69/91/385656991.db2.gz ZPERAUPGOOGZOS-CMPLNLGQSA-N 2 2 207.321 2.468 20 0 BEADLP CC(C)CCC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000309542357 385684379 /nfs/dbraw/zinc/68/43/79/385684379.db2.gz GSACOZJODMXIHL-LBPRGKRZSA-N 2 2 221.348 2.224 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000414855066 385697168 /nfs/dbraw/zinc/69/71/68/385697168.db2.gz VWPONGSGMHWUGE-GFCCVEGCSA-N 2 2 242.313 2.428 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000309585835 385717970 /nfs/dbraw/zinc/71/79/70/385717970.db2.gz VMSUHWCEGBTRGX-CHWSQXEVSA-N 2 2 219.332 2.051 20 0 BEADLP C[NH+](C)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270552278 385716536 /nfs/dbraw/zinc/71/65/36/385716536.db2.gz GMFMUPCHWOUYOT-LLVKDONJSA-N 2 2 244.342 2.093 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000336734359 385666716 /nfs/dbraw/zinc/66/67/16/385666716.db2.gz HHHOAONDMDBUSF-GRYCIOLGSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000309609485 385739286 /nfs/dbraw/zinc/73/92/86/385739286.db2.gz MFKCZPZHWJWZOS-SNVBAGLBSA-N 2 2 219.332 2.108 20 0 BEADLP CCCc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414859853 385739283 /nfs/dbraw/zinc/73/92/83/385739283.db2.gz BOPFMNAONJLODH-HNNXBMFYSA-N 2 2 232.371 2.481 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC000309608825 385739493 /nfs/dbraw/zinc/73/94/93/385739493.db2.gz ZINXVFXBWIYHPC-GHMZBOCLSA-N 2 2 221.348 2.222 20 0 BEADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000414861032 385744818 /nfs/dbraw/zinc/74/48/18/385744818.db2.gz DTMOCYZKIDAGMC-XYHHVPKHSA-N 2 2 234.318 2.181 20 0 BEADLP Fc1ccc(/C=C/C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000414861034 385745482 /nfs/dbraw/zinc/74/54/82/385745482.db2.gz DTMOCYZKIDAGMC-YOUVMVQBSA-N 2 2 234.318 2.181 20 0 BEADLP CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)CS1 ZINC000336655634 385761207 /nfs/dbraw/zinc/76/12/07/385761207.db2.gz HPPSGFADDQUDHG-RYUDHWBXSA-N 2 2 244.448 2.446 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000309660557 385779785 /nfs/dbraw/zinc/77/97/85/385779785.db2.gz ASOFYBATEVLTJT-MRTXSQPYSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000309660557 385779788 /nfs/dbraw/zinc/77/97/88/385779788.db2.gz ASOFYBATEVLTJT-MRTXSQPYSA-N 2 2 224.392 2.351 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCCCC1)C2 ZINC000309675426 385780912 /nfs/dbraw/zinc/78/09/12/385780912.db2.gz LOOPTMYIULBACB-NSHDSACASA-N 2 2 219.332 2.189 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000309675426 385780917 /nfs/dbraw/zinc/78/09/17/385780917.db2.gz LOOPTMYIULBACB-NSHDSACASA-N 2 2 219.332 2.189 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309590357 385720005 /nfs/dbraw/zinc/72/00/05/385720005.db2.gz YWJGUBWDANRKBD-KGLIPLIRSA-N 2 2 222.376 2.251 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000414948056 385805370 /nfs/dbraw/zinc/80/53/70/385805370.db2.gz WPFWAYWWOARMRT-LURJTMIESA-N 2 2 238.278 2.204 20 0 BEADLP C[C@H]1C[C@@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000488467399 385805364 /nfs/dbraw/zinc/80/53/64/385805364.db2.gz WJHIMAWDDXFFSB-NWDGAFQWSA-N 2 2 229.327 2.122 20 0 BEADLP CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)[NH+]1CCCC1 ZINC000340172283 385819237 /nfs/dbraw/zinc/81/92/37/385819237.db2.gz HKAALTIWILLFOW-OLZOCXBDSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@@H](C[NH2+][C@H]1CCOC1(C)C)[NH+]1CCCC1 ZINC000340171834 385820785 /nfs/dbraw/zinc/82/07/85/385820785.db2.gz ALEHKNSEHNKTEP-STQMWFEESA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@]1(C)CCCO1 ZINC000340174180 385821317 /nfs/dbraw/zinc/82/13/17/385821317.db2.gz NABLBDGHVZDERN-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccncc1F ZINC000340177055 385823126 /nfs/dbraw/zinc/82/31/26/385823126.db2.gz VEHVQSUFCAHPOY-WDEREUQCSA-N 2 2 248.305 2.157 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000340183305 385827310 /nfs/dbraw/zinc/82/73/10/385827310.db2.gz AOGMHTUKZPEASE-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000340183305 385827318 /nfs/dbraw/zinc/82/73/18/385827318.db2.gz AOGMHTUKZPEASE-CHWSQXEVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1ccncc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000271482251 385832697 /nfs/dbraw/zinc/83/26/97/385832697.db2.gz SPOAKKPRFRRJIN-ZDUSSCGKSA-N 2 2 244.342 2.327 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336740901 385840463 /nfs/dbraw/zinc/84/04/63/385840463.db2.gz MSPHTXYLJQGNNN-UTUOFQBUSA-N 2 2 221.348 2.296 20 0 BEADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000336741040 385846994 /nfs/dbraw/zinc/84/69/94/385846994.db2.gz MVSGRZQHDYYGDL-QWHCGFSZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H](C[NH3+])C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000414870762 385847662 /nfs/dbraw/zinc/84/76/62/385847662.db2.gz CKIFNKUNNAWJPF-SECBINFHSA-N 2 2 241.404 2.125 20 0 BEADLP CC(C)CC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000309697495 385797415 /nfs/dbraw/zinc/79/74/15/385797415.db2.gz RTZBPFWQOCTRGQ-STQMWFEESA-N 2 2 224.392 2.352 20 0 BEADLP CC(C)CC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000309697495 385797423 /nfs/dbraw/zinc/79/74/23/385797423.db2.gz RTZBPFWQOCTRGQ-STQMWFEESA-N 2 2 224.392 2.352 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000336726260 385890629 /nfs/dbraw/zinc/89/06/29/385890629.db2.gz GEGDJVUGUMCPTC-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP CCCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000336726260 385890632 /nfs/dbraw/zinc/89/06/32/385890632.db2.gz GEGDJVUGUMCPTC-STQMWFEESA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000217676914 385891075 /nfs/dbraw/zinc/89/10/75/385891075.db2.gz BDWFGICOJHVPJC-CFVMTHIKSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000217676914 385891080 /nfs/dbraw/zinc/89/10/80/385891080.db2.gz BDWFGICOJHVPJC-CFVMTHIKSA-N 2 2 245.370 2.359 20 0 BEADLP COc1ccc(Cl)c(C[N@H+](C)CCC[NH3+])c1 ZINC000647847155 385896318 /nfs/dbraw/zinc/89/63/18/385896318.db2.gz CGBDTFQQNYJQCD-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP COc1ccc(Cl)c(C[N@@H+](C)CCC[NH3+])c1 ZINC000647847155 385896322 /nfs/dbraw/zinc/89/63/22/385896322.db2.gz CGBDTFQQNYJQCD-UHFFFAOYSA-N 2 2 242.750 2.129 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272598925 385916944 /nfs/dbraw/zinc/91/69/44/385916944.db2.gz ISFBWOSXZQXSQD-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)o1 ZINC000272598925 385916947 /nfs/dbraw/zinc/91/69/47/385916947.db2.gz ISFBWOSXZQXSQD-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)o1 ZINC000272598925 385916952 /nfs/dbraw/zinc/91/69/52/385916952.db2.gz ISFBWOSXZQXSQD-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP CCc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)o1 ZINC000272598925 385916959 /nfs/dbraw/zinc/91/69/59/385916959.db2.gz ISFBWOSXZQXSQD-IUODEOHRSA-N 2 2 248.370 2.368 20 0 BEADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc(C)c1F ZINC000335032782 385921174 /nfs/dbraw/zinc/92/11/74/385921174.db2.gz ABPRVXGVNFVAOU-DGCLKSJQSA-N 2 2 236.334 2.455 20 0 BEADLP C[NH+](CCC[N@H+](C)CCCF)Cc1ccco1 ZINC000285458812 385927454 /nfs/dbraw/zinc/92/74/54/385927454.db2.gz ADNPKDMSQRVHDD-UHFFFAOYSA-N 2 2 242.338 2.393 20 0 BEADLP C[NH+](CCC[N@@H+](C)CCCF)Cc1ccco1 ZINC000285458812 385927462 /nfs/dbraw/zinc/92/74/62/385927462.db2.gz ADNPKDMSQRVHDD-UHFFFAOYSA-N 2 2 242.338 2.393 20 0 BEADLP C[NH+](CCCF)CCC[N@H+](C)Cc1ccco1 ZINC000285458812 385927466 /nfs/dbraw/zinc/92/74/66/385927466.db2.gz ADNPKDMSQRVHDD-UHFFFAOYSA-N 2 2 242.338 2.393 20 0 BEADLP C[NH+](CCCF)CCC[N@@H+](C)Cc1ccco1 ZINC000285458812 385927471 /nfs/dbraw/zinc/92/74/71/385927471.db2.gz ADNPKDMSQRVHDD-UHFFFAOYSA-N 2 2 242.338 2.393 20 0 BEADLP CSCCCCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336741383 385862975 /nfs/dbraw/zinc/86/29/75/385862975.db2.gz VOPBPMDFDMAPNW-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CSCCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336741383 385862980 /nfs/dbraw/zinc/86/29/80/385862980.db2.gz VOPBPMDFDMAPNW-VXGBXAGGSA-N 2 2 230.421 2.059 20 0 BEADLP CSCCCCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336741381 385863134 /nfs/dbraw/zinc/86/31/34/385863134.db2.gz VOPBPMDFDMAPNW-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP CSCCCCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336741381 385863141 /nfs/dbraw/zinc/86/31/41/385863141.db2.gz VOPBPMDFDMAPNW-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000228559716 385881294 /nfs/dbraw/zinc/88/12/94/385881294.db2.gz LMBKVBSIJPSHBW-AVGNSLFASA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@H]1C ZINC000414132268 385978183 /nfs/dbraw/zinc/97/81/83/385978183.db2.gz MJHKRRYWRVDATN-NDBYEHHHSA-N 2 2 233.359 2.222 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221158936 385980998 /nfs/dbraw/zinc/98/09/98/385980998.db2.gz BLEVHMBIOSDJRA-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221158936 385981004 /nfs/dbraw/zinc/98/10/04/385981004.db2.gz BLEVHMBIOSDJRA-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335040030 385931314 /nfs/dbraw/zinc/93/13/14/385931314.db2.gz GRJQKJYSOWEGRL-IUODEOHRSA-N 2 2 230.355 2.324 20 0 BEADLP c1cn(CC[NH2+][C@@H]2CCC23CCCC3)c[nH+]1 ZINC000189040598 385932875 /nfs/dbraw/zinc/93/28/75/385932875.db2.gz NAAVVFKKHROQEF-GFCCVEGCSA-N 2 2 219.332 2.196 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335040825 385934331 /nfs/dbraw/zinc/93/43/31/385934331.db2.gz HAVGLDDZCZDIDW-GHMZBOCLSA-N 2 2 224.373 2.459 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000414071918 385947387 /nfs/dbraw/zinc/94/73/87/385947387.db2.gz MENAGZAXNNILOX-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@H]1C[C@H]1C ZINC000414071918 385947393 /nfs/dbraw/zinc/94/73/93/385947393.db2.gz MENAGZAXNNILOX-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000338300425 385950264 /nfs/dbraw/zinc/95/02/64/385950264.db2.gz HVZBJVRKRJCRKL-CQSZACIVSA-N 2 2 242.407 2.075 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000338300425 385950268 /nfs/dbraw/zinc/95/02/68/385950268.db2.gz HVZBJVRKRJCRKL-CQSZACIVSA-N 2 2 242.407 2.075 20 0 BEADLP C[C@H]1CC[NH2+]C[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335053642 385951407 /nfs/dbraw/zinc/95/14/07/385951407.db2.gz JVKUPRKVQWAUTD-IINYFYTJSA-N 2 2 231.343 2.065 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054971 385954793 /nfs/dbraw/zinc/95/47/93/385954793.db2.gz PJKIADUXPQCHFW-QMTHXVAHSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335054971 385954801 /nfs/dbraw/zinc/95/48/01/385954801.db2.gz PJKIADUXPQCHFW-QMTHXVAHSA-N 2 2 231.343 2.017 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057106 385956677 /nfs/dbraw/zinc/95/66/77/385956677.db2.gz XBANSKGHBPONQI-RISCZKNCSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335057106 385956683 /nfs/dbraw/zinc/95/66/83/385956683.db2.gz XBANSKGHBPONQI-RISCZKNCSA-N 2 2 245.370 2.407 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000342216373 385960002 /nfs/dbraw/zinc/96/00/02/385960002.db2.gz QMGLDTYISMNUMU-RXNFCKPNSA-N 2 2 236.334 2.379 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)o1 ZINC000335059540 385962218 /nfs/dbraw/zinc/96/22/18/385962218.db2.gz CIUFISUCWXLVJT-RYUDHWBXSA-N 2 2 222.332 2.381 20 0 BEADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)[NH+](C)C ZINC000336747007 385965185 /nfs/dbraw/zinc/96/51/85/385965185.db2.gz CDDRDCRYQMLYSW-IJLUTSLNSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cnc(C(C)C)s1 ZINC000414974993 386002944 /nfs/dbraw/zinc/00/29/44/386002944.db2.gz FNDFHHKFBJOASB-SECBINFHSA-N 2 2 227.377 2.093 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336751093 386007056 /nfs/dbraw/zinc/00/70/56/386007056.db2.gz FLRNGIKAYPVYOS-OLZOCXBDSA-N 2 2 210.365 2.106 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000336751093 386007061 /nfs/dbraw/zinc/00/70/61/386007061.db2.gz FLRNGIKAYPVYOS-OLZOCXBDSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H]1C[C@H]1C ZINC000414114464 386009331 /nfs/dbraw/zinc/00/93/31/386009331.db2.gz OQPYTCJTYAFXIF-AFCCXKIYSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1C[C@H]1C ZINC000414114464 386009337 /nfs/dbraw/zinc/00/93/37/386009337.db2.gz OQPYTCJTYAFXIF-AFCCXKIYSA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)[C@H]1C[C@H]1C ZINC000414116218 386009512 /nfs/dbraw/zinc/00/95/12/386009512.db2.gz WJGBSZYIEGCODE-QNWJLWSRSA-N 2 2 210.365 2.103 20 0 BEADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1C[C@H]1C ZINC000414116218 386009518 /nfs/dbraw/zinc/00/95/18/386009518.db2.gz WJGBSZYIEGCODE-QNWJLWSRSA-N 2 2 210.365 2.103 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1OC(C)C ZINC000414976118 386014499 /nfs/dbraw/zinc/01/44/99/386014499.db2.gz HKSVXDLBUNQOBW-CYBMUJFWSA-N 2 2 236.359 2.301 20 0 BEADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000335061590 386027424 /nfs/dbraw/zinc/02/74/24/386027424.db2.gz MDCCZXLDDGXDDQ-OCCSQVGLSA-N 2 2 218.344 2.479 20 0 BEADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000335061589 386027664 /nfs/dbraw/zinc/02/76/64/386027664.db2.gz MDCCZXLDDGXDDQ-JSGCOSHPSA-N 2 2 218.344 2.479 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000414977395 386031745 /nfs/dbraw/zinc/03/17/45/386031745.db2.gz JUSBOKNPVQTCBP-LLVKDONJSA-N 2 2 236.290 2.399 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414977388 386031963 /nfs/dbraw/zinc/03/19/63/386031963.db2.gz JTKQGAOBAVNSIL-VIFPVBQESA-N 2 2 230.714 2.306 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414977387 386032007 /nfs/dbraw/zinc/03/20/07/386032007.db2.gz JTKQGAOBAVNSIL-SECBINFHSA-N 2 2 230.714 2.306 20 0 BEADLP CC[N@H+](C)CC[NH2+]CCc1cccc(Cl)c1 ZINC000222350062 386040722 /nfs/dbraw/zinc/04/07/22/386040722.db2.gz MCYSVCGLSJGHGO-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP CC[N@@H+](C)CC[NH2+]CCc1cccc(Cl)c1 ZINC000222350062 386040736 /nfs/dbraw/zinc/04/07/36/386040736.db2.gz MCYSVCGLSJGHGO-UHFFFAOYSA-N 2 2 240.778 2.424 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414979374 386043710 /nfs/dbraw/zinc/04/37/10/386043710.db2.gz NUGKAHRQWVFKKQ-VIFPVBQESA-N 2 2 241.404 2.268 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000414980084 386046910 /nfs/dbraw/zinc/04/69/10/386046910.db2.gz OWPPHTOOPXYAAX-NSHDSACASA-N 2 2 248.326 2.268 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1sccc1Cl)C1CC1 ZINC000414889168 386110715 /nfs/dbraw/zinc/11/07/15/386110715.db2.gz KXRYLLITCYMGGH-VIFPVBQESA-N 2 2 230.764 2.228 20 0 BEADLP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000335073143 386066026 /nfs/dbraw/zinc/06/60/26/386066026.db2.gz HAVGLDDZCZDIDW-MNOVXSKESA-N 2 2 224.373 2.459 20 0 BEADLP [NH3+][C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000414887426 386088589 /nfs/dbraw/zinc/08/85/89/386088589.db2.gz DOIYPPHYCATJOM-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000414281971 386094038 /nfs/dbraw/zinc/09/40/38/386094038.db2.gz NEEUNWSFELHHFS-GUBZILKMSA-N 2 2 238.297 2.115 20 0 BEADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)CC(F)(F)F ZINC000414281971 386094042 /nfs/dbraw/zinc/09/40/42/386094042.db2.gz NEEUNWSFELHHFS-GUBZILKMSA-N 2 2 238.297 2.115 20 0 BEADLP Cc1cnc(C[NH2+]CCc2cc[nH+]cc2C)s1 ZINC000295846110 386094876 /nfs/dbraw/zinc/09/48/76/386094876.db2.gz WCZRGGNBTZQCDX-UHFFFAOYSA-N 2 2 247.367 2.487 20 0 BEADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC)cc1Cl ZINC000414984672 386095161 /nfs/dbraw/zinc/09/51/61/386095161.db2.gz VLLOXOHFVMBISP-JTQLQIEISA-N 2 2 242.750 2.176 20 0 BEADLP CCC[C@H](C)C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000345307510 386098016 /nfs/dbraw/zinc/09/80/16/386098016.db2.gz FSHGFWRNRRHOBH-KBPBESRZSA-N 2 2 242.407 2.123 20 0 BEADLP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000334457793 386098142 /nfs/dbraw/zinc/09/81/42/386098142.db2.gz PVKJLRFOZMJKJC-STQMWFEESA-N 2 2 208.349 2.169 20 0 BEADLP CC1=CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000334457793 386098145 /nfs/dbraw/zinc/09/81/45/386098145.db2.gz PVKJLRFOZMJKJC-STQMWFEESA-N 2 2 208.349 2.169 20 0 BEADLP CCC[C@@H](C)C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000345307513 386098819 /nfs/dbraw/zinc/09/88/19/386098819.db2.gz FSHGFWRNRRHOBH-ZIAGYGMSSA-N 2 2 242.407 2.123 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000261536281 386100126 /nfs/dbraw/zinc/10/01/26/386100126.db2.gz RBFRUAUQEKSJRO-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000261536281 386100132 /nfs/dbraw/zinc/10/01/32/386100132.db2.gz RBFRUAUQEKSJRO-JHJVBQTASA-N 2 2 210.365 2.249 20 0 BEADLP CCCC[C@H]1CCC[C@H]1[NH2+]CC[NH2+]CCOC ZINC000414891601 386145743 /nfs/dbraw/zinc/14/57/43/386145743.db2.gz WEVFSVHQDNZYEL-UONOGXRCSA-N 2 2 242.407 2.171 20 0 BEADLP CC(C)c1cnc(C[NH2+]C[C@@H]([NH3+])C2CC2)s1 ZINC000414895505 386189812 /nfs/dbraw/zinc/18/98/12/386189812.db2.gz XUCQGJDJFMKERS-SNVBAGLBSA-N 2 2 239.388 2.093 20 0 BEADLP [NH3+]CC[C@@H]([NH2+]CC1CCCCC1)C(F)F ZINC000414992019 386152077 /nfs/dbraw/zinc/15/20/77/386152077.db2.gz QIYVSPCPXGBOCO-SNVBAGLBSA-N 2 2 220.307 2.139 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000354214774 386162231 /nfs/dbraw/zinc/16/22/31/386162231.db2.gz DEOXZWNTTQGQRD-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000354214774 386162238 /nfs/dbraw/zinc/16/22/38/386162238.db2.gz DEOXZWNTTQGQRD-OAHLLOKOSA-N 2 2 247.386 2.006 20 0 BEADLP CC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346163598 386171408 /nfs/dbraw/zinc/17/14/08/386171408.db2.gz BOPHFSBMYJPWGS-UHFFFAOYSA-N 2 2 221.329 2.386 20 0 BEADLP CC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346163598 386171412 /nfs/dbraw/zinc/17/14/12/386171412.db2.gz BOPHFSBMYJPWGS-UHFFFAOYSA-N 2 2 221.329 2.386 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000131381674 386205013 /nfs/dbraw/zinc/20/50/13/386205013.db2.gz XUQMHGHLQUGGJI-LBPRGKRZSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000131381674 386205017 /nfs/dbraw/zinc/20/50/17/386205017.db2.gz XUQMHGHLQUGGJI-LBPRGKRZSA-N 2 2 230.311 2.356 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C(C1CC1)C1CC1 ZINC000414700749 386208404 /nfs/dbraw/zinc/20/84/04/386208404.db2.gz VJWDHQIBVDHCIE-ZDUSSCGKSA-N 2 2 224.392 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C(C1CC1)C1CC1 ZINC000414700749 386208408 /nfs/dbraw/zinc/20/84/08/386208408.db2.gz VJWDHQIBVDHCIE-ZDUSSCGKSA-N 2 2 224.392 2.480 20 0 BEADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275446531 386213221 /nfs/dbraw/zinc/21/32/21/386213221.db2.gz GAXCABRJQBFKOV-HUUCEWRRSA-N 2 2 232.371 2.474 20 0 BEADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347142658 386260073 /nfs/dbraw/zinc/26/00/73/386260073.db2.gz XAGRWAZVLKGETJ-HNNXBMFYSA-N 2 2 230.355 2.321 20 0 BEADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347142658 386260077 /nfs/dbraw/zinc/26/00/77/386260077.db2.gz XAGRWAZVLKGETJ-HNNXBMFYSA-N 2 2 230.355 2.321 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000347147176 386260249 /nfs/dbraw/zinc/26/02/49/386260249.db2.gz MHQGRSVFXNEBGJ-SGMGOOAPSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000347147176 386260252 /nfs/dbraw/zinc/26/02/52/386260252.db2.gz MHQGRSVFXNEBGJ-SGMGOOAPSA-N 2 2 233.359 2.072 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000347111872 386230797 /nfs/dbraw/zinc/23/07/97/386230797.db2.gz QELNFMHZIMOXRQ-FSIBCCDJSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000347111872 386230802 /nfs/dbraw/zinc/23/08/02/386230802.db2.gz QELNFMHZIMOXRQ-FSIBCCDJSA-N 2 2 240.297 2.257 20 0 BEADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](CC[NH3+])C(F)F ZINC000415001383 386233460 /nfs/dbraw/zinc/23/34/60/386233460.db2.gz YAZWDWMZASMKAZ-VWYCJHECSA-N 2 2 234.334 2.385 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc(Cl)c1F)[C@H](C)[NH3+] ZINC000415001453 386233649 /nfs/dbraw/zinc/23/36/49/386233649.db2.gz CJJFSBZUVIEVNI-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP CC[N@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000288986063 386249251 /nfs/dbraw/zinc/24/92/51/386249251.db2.gz CVBQZSHQARWTDR-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP CC[N@@H+](CCCc1c[nH+]ccc1C)CCOC ZINC000288986063 386249257 /nfs/dbraw/zinc/24/92/57/386249257.db2.gz CVBQZSHQARWTDR-UHFFFAOYSA-N 2 2 236.359 2.291 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000288997568 386250006 /nfs/dbraw/zinc/25/00/06/386250006.db2.gz DSPRWBKEGQJIRC-KGLIPLIRSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000288997568 386250009 /nfs/dbraw/zinc/25/00/09/386250009.db2.gz DSPRWBKEGQJIRC-KGLIPLIRSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340310875 386288110 /nfs/dbraw/zinc/28/81/10/386288110.db2.gz XWCNLCZGJADUBJ-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000647885869 386289572 /nfs/dbraw/zinc/28/95/72/386289572.db2.gz ZOIKZMUGVBIPBB-DGCLKSJQSA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000647885869 386289577 /nfs/dbraw/zinc/28/95/77/386289577.db2.gz ZOIKZMUGVBIPBB-DGCLKSJQSA-N 2 2 236.384 2.124 20 0 BEADLP C[NH2+][C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC000133167628 386296476 /nfs/dbraw/zinc/29/64/76/386296476.db2.gz XYRNOBYCZOJPIY-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP C[NH2+][C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000133167628 386296482 /nfs/dbraw/zinc/29/64/82/386296482.db2.gz XYRNOBYCZOJPIY-AWEZNQCLSA-N 2 2 218.344 2.097 20 0 BEADLP CC[N@H+](CCC[NH+](C)C)Cc1scnc1C ZINC000289403606 386298489 /nfs/dbraw/zinc/29/84/89/386298489.db2.gz GXGZZOFZUNGKPZ-UHFFFAOYSA-N 2 2 241.404 2.225 20 0 BEADLP CC[N@@H+](CCC[NH+](C)C)Cc1scnc1C ZINC000289403606 386298494 /nfs/dbraw/zinc/29/84/94/386298494.db2.gz GXGZZOFZUNGKPZ-UHFFFAOYSA-N 2 2 241.404 2.225 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000414735834 386310959 /nfs/dbraw/zinc/31/09/59/386310959.db2.gz HFTUKLSDKCYSCC-AGIUHOORSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000414735834 386310963 /nfs/dbraw/zinc/31/09/63/386310963.db2.gz HFTUKLSDKCYSCC-AGIUHOORSA-N 2 2 212.381 2.480 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000289494840 386316859 /nfs/dbraw/zinc/31/68/59/386316859.db2.gz BUMVVKFRNOUYCV-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000289494840 386316862 /nfs/dbraw/zinc/31/68/62/386316862.db2.gz BUMVVKFRNOUYCV-UKRRQHHQSA-N 2 2 248.370 2.025 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000347147169 386261532 /nfs/dbraw/zinc/26/15/32/386261532.db2.gz MHQGRSVFXNEBGJ-OBJOEFQTSA-N 2 2 233.359 2.072 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000347147169 386261535 /nfs/dbraw/zinc/26/15/35/386261535.db2.gz MHQGRSVFXNEBGJ-OBJOEFQTSA-N 2 2 233.359 2.072 20 0 BEADLP CC(C)c1ncc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s1 ZINC000415006601 386341957 /nfs/dbraw/zinc/34/19/57/386341957.db2.gz KQNIYMBEELUDFN-IUCAKERBSA-N 2 2 227.377 2.092 20 0 BEADLP CO[C@H](C)C[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289702858 386345070 /nfs/dbraw/zinc/34/50/70/386345070.db2.gz OQSDVDRSPNUEQI-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP CO[C@H](C)C[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289702858 386345073 /nfs/dbraw/zinc/34/50/73/386345073.db2.gz OQSDVDRSPNUEQI-CYBMUJFWSA-N 2 2 236.359 2.289 20 0 BEADLP CC[C@@H](C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336687303 386348092 /nfs/dbraw/zinc/34/80/92/386348092.db2.gz XODGTDYKHBZZRA-NEPJUHHUSA-N 2 2 221.348 2.256 20 0 BEADLP CC[C@@H](C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000336687303 386348093 /nfs/dbraw/zinc/34/80/93/386348093.db2.gz XODGTDYKHBZZRA-NEPJUHHUSA-N 2 2 221.348 2.256 20 0 BEADLP CC(C)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000289781885 386357092 /nfs/dbraw/zinc/35/70/92/386357092.db2.gz JBCYMCMHBNBIKP-GFCCVEGCSA-N 2 2 249.358 2.204 20 0 BEADLP CC(C)C(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000289781885 386357096 /nfs/dbraw/zinc/35/70/96/386357096.db2.gz JBCYMCMHBNBIKP-GFCCVEGCSA-N 2 2 249.358 2.204 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[C@H](C)O ZINC000289848276 386362535 /nfs/dbraw/zinc/36/25/35/386362535.db2.gz VFTCAPBZCCVCHB-ZDUSSCGKSA-N 2 2 236.359 2.073 20 0 BEADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000336691732 386363971 /nfs/dbraw/zinc/36/39/71/386363971.db2.gz BZHXWUMVJPLLGD-CYBMUJFWSA-N 2 2 222.332 2.196 20 0 BEADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000336691732 386363972 /nfs/dbraw/zinc/36/39/72/386363972.db2.gz BZHXWUMVJPLLGD-CYBMUJFWSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccoc1 ZINC000336691732 386363978 /nfs/dbraw/zinc/36/39/78/386363978.db2.gz BZHXWUMVJPLLGD-CYBMUJFWSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccoc1 ZINC000336691732 386363984 /nfs/dbraw/zinc/36/39/84/386363984.db2.gz BZHXWUMVJPLLGD-CYBMUJFWSA-N 2 2 222.332 2.196 20 0 BEADLP C[NH2+]CCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000647890123 386367146 /nfs/dbraw/zinc/36/71/46/386367146.db2.gz QSSKIMHWARDYGQ-ZDUSSCGKSA-N 2 2 222.307 2.182 20 0 BEADLP C[NH2+]CCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000647890123 386367148 /nfs/dbraw/zinc/36/71/48/386367148.db2.gz QSSKIMHWARDYGQ-ZDUSSCGKSA-N 2 2 222.307 2.182 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000289973927 386379315 /nfs/dbraw/zinc/37/93/15/386379315.db2.gz BWYLXWLCGSNOOG-UKRRQHHQSA-N 2 2 248.370 2.480 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C(F)F)CC1 ZINC000336698175 386381178 /nfs/dbraw/zinc/38/11/78/386381178.db2.gz MSFWWTIXFAIQJM-KPPDAEKUSA-N 2 2 234.334 2.350 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000289589597 386332133 /nfs/dbraw/zinc/33/21/33/386332133.db2.gz ILKJRJWGEIPSIY-DZGCQCFKSA-N 2 2 248.370 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccon1 ZINC000290119906 386395424 /nfs/dbraw/zinc/39/54/24/386395424.db2.gz UDQZUSAZHZWWLV-UHFFFAOYSA-N 2 2 245.326 2.443 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccon1 ZINC000290119906 386395429 /nfs/dbraw/zinc/39/54/29/386395429.db2.gz UDQZUSAZHZWWLV-UHFFFAOYSA-N 2 2 245.326 2.443 20 0 BEADLP Cc1ccc(NC2CC[NH+](C3CC3)CC2)[nH+]c1 ZINC000266183355 386407738 /nfs/dbraw/zinc/40/77/38/386407738.db2.gz WCDUZSNOQGZJJA-UHFFFAOYSA-N 2 2 231.343 2.429 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C2CC[NH2+]CC2)c[nH+]1 ZINC000339409280 386413806 /nfs/dbraw/zinc/41/38/06/386413806.db2.gz YGYWSFKFKRFHSZ-UHFFFAOYSA-N 3 2 247.386 2.006 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C2CC[NH2+]CC2)c[nH+]1 ZINC000339409280 386413814 /nfs/dbraw/zinc/41/38/14/386413814.db2.gz YGYWSFKFKRFHSZ-UHFFFAOYSA-N 3 2 247.386 2.006 20 0 BEADLP Cc1nc(N(C)CC[C@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC000266229817 386413888 /nfs/dbraw/zinc/41/38/88/386413888.db2.gz JKLLHTDESHODHC-CYBMUJFWSA-N 2 2 248.374 2.096 20 0 BEADLP Cc1nc(N(C)CC[C@H]2CCCC[N@H+]2C)cc[nH+]1 ZINC000266229817 386413890 /nfs/dbraw/zinc/41/38/90/386413890.db2.gz JKLLHTDESHODHC-CYBMUJFWSA-N 2 2 248.374 2.096 20 0 BEADLP COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000442663641 386420868 /nfs/dbraw/zinc/42/08/68/386420868.db2.gz HWBLQTPTTBEHCJ-FZMZJTMJSA-N 2 2 234.343 2.179 20 0 BEADLP COc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000442663641 386420871 /nfs/dbraw/zinc/42/08/71/386420871.db2.gz HWBLQTPTTBEHCJ-FZMZJTMJSA-N 2 2 234.343 2.179 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCSCC1 ZINC000336742165 386476934 /nfs/dbraw/zinc/47/69/34/386476934.db2.gz WOPIUVZEZVCQSK-GHMZBOCLSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)[C@H](C)[NH3+] ZINC000415010827 386480381 /nfs/dbraw/zinc/48/03/81/386480381.db2.gz HEMIMQOXKVJJQB-DTWKUNHWSA-N 2 2 241.404 2.266 20 0 BEADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)CC[C@@H]1[NH3+] ZINC000647934688 386481648 /nfs/dbraw/zinc/48/16/48/386481648.db2.gz MQXNLTCJVDJCPY-UTUOFQBUSA-N 2 2 237.347 2.103 20 0 BEADLP CC[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)CC[C@@H]1[NH3+] ZINC000647934688 386481653 /nfs/dbraw/zinc/48/16/53/386481653.db2.gz MQXNLTCJVDJCPY-UTUOFQBUSA-N 2 2 237.347 2.103 20 0 BEADLP CC[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1[NH3+] ZINC000647934968 386482515 /nfs/dbraw/zinc/48/25/15/386482515.db2.gz VSJZNONVKLLLHV-PWSUYJOCSA-N 2 2 249.358 2.111 20 0 BEADLP CC[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@@H]1[NH3+] ZINC000647934968 386482522 /nfs/dbraw/zinc/48/25/22/386482522.db2.gz VSJZNONVKLLLHV-PWSUYJOCSA-N 2 2 249.358 2.111 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417350580 386487298 /nfs/dbraw/zinc/48/72/98/386487298.db2.gz AGPLJXPAQHOAQP-QWHCGFSZSA-N 2 2 224.392 2.495 20 0 BEADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCC[C@H]1F ZINC000339585492 386488762 /nfs/dbraw/zinc/48/87/62/386488762.db2.gz WSEQDANTMQNRSV-NEPJUHHUSA-N 2 2 237.322 2.128 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCSCC1 ZINC000417353351 386490278 /nfs/dbraw/zinc/49/02/78/386490278.db2.gz IUASOQRGXJQVDS-LLVKDONJSA-N 2 2 242.432 2.202 20 0 BEADLP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCCC3)CC1 ZINC000417352498 386490597 /nfs/dbraw/zinc/49/05/97/386490597.db2.gz GMRVAGDSFSBKPJ-LBPRGKRZSA-N 2 2 222.376 2.393 20 0 BEADLP C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@H](C)[NH3+] ZINC000415011847 386493636 /nfs/dbraw/zinc/49/36/36/386493636.db2.gz IOLHHZRKJRHOFH-NKWVEPMBSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)[C@H](C)[NH3+] ZINC000415013508 386495435 /nfs/dbraw/zinc/49/54/35/386495435.db2.gz KRJXLLJJMMQOEK-JGVFFNPUSA-N 2 2 230.714 2.304 20 0 BEADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCC(F)(F)F ZINC000336772284 386498601 /nfs/dbraw/zinc/49/86/01/386498601.db2.gz YAPFMTPDMQJHDS-DTWKUNHWSA-N 2 2 226.286 2.257 20 0 BEADLP CC(C)n1c[nH+]cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335441078 386499046 /nfs/dbraw/zinc/49/90/46/386499046.db2.gz DDBJUPMPVPAKBW-OCCSQVGLSA-N 2 2 249.358 2.075 20 0 BEADLP CC(C)n1c[nH+]cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335441078 386499048 /nfs/dbraw/zinc/49/90/48/386499048.db2.gz DDBJUPMPVPAKBW-OCCSQVGLSA-N 2 2 249.358 2.075 20 0 BEADLP C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H](C)[NH3+] ZINC000415016126 386499782 /nfs/dbraw/zinc/49/97/82/386499782.db2.gz ZSMCTTBWOTVXMD-DTWKUNHWSA-N 2 2 241.404 2.266 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000415043512 386529637 /nfs/dbraw/zinc/52/96/37/386529637.db2.gz RMRJIPMUXAJTLI-VIIAAUOXSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000415015461 386500985 /nfs/dbraw/zinc/50/09/85/386500985.db2.gz NCUUHWBMQDRDGU-QWRGUYRKSA-N 2 2 248.370 2.225 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)C[N@@H+]1C1CC1 ZINC000417336052 386503563 /nfs/dbraw/zinc/50/35/63/386503563.db2.gz JLHBCUJANMFBCL-WOPDTQHZSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC23CC3)C[N@H+]1C1CC1 ZINC000417336052 386503575 /nfs/dbraw/zinc/50/35/75/386503575.db2.gz JLHBCUJANMFBCL-WOPDTQHZSA-N 2 2 220.360 2.001 20 0 BEADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccccc2F)CC1 ZINC000519608226 386504150 /nfs/dbraw/zinc/50/41/50/386504150.db2.gz YJJDKQREICEUTN-NSHDSACASA-N 2 2 236.334 2.352 20 0 BEADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000415048963 386506227 /nfs/dbraw/zinc/50/62/27/386506227.db2.gz GWKFWTCRVAFFCN-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H](C)CCCC[NH3+])c[nH+]1 ZINC000415019780 386509746 /nfs/dbraw/zinc/50/97/46/386509746.db2.gz WGIKVSOKPKHRPE-ZDUSSCGKSA-N 3 2 249.402 2.430 20 0 BEADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1sccc1Cl ZINC000415022690 386511720 /nfs/dbraw/zinc/51/17/20/386511720.db2.gz VXNGEDNAXOYXDW-RQJHMYQMSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000415022687 386512306 /nfs/dbraw/zinc/51/23/06/386512306.db2.gz VXNGEDNAXOYXDW-RNFRBKRXSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C[N@@H+]1C1CC1 ZINC000157156381 386517311 /nfs/dbraw/zinc/51/73/11/386517311.db2.gz CMFHFNJUYUBRAQ-IUCAKERBSA-N 2 2 236.281 2.154 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C[N@H+]1C1CC1 ZINC000157156381 386517317 /nfs/dbraw/zinc/51/73/17/386517317.db2.gz CMFHFNJUYUBRAQ-IUCAKERBSA-N 2 2 236.281 2.154 20 0 BEADLP COc1ccccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415040102 386527814 /nfs/dbraw/zinc/52/78/14/386527814.db2.gz JVHJRTLQVLDJFN-CQSZACIVSA-N 2 2 248.370 2.302 20 0 BEADLP Cc1ccc(CCC[NH2+]CC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000414911568 386455562 /nfs/dbraw/zinc/45/55/62/386455562.db2.gz WLIHHFXIFWQAJU-OAHLLOKOSA-N 3 2 247.386 2.054 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336778264 386459182 /nfs/dbraw/zinc/45/91/82/386459182.db2.gz KWAHTVYMMZSZOI-STQMWFEESA-N 2 2 230.371 2.446 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336778264 386459189 /nfs/dbraw/zinc/45/91/89/386459189.db2.gz KWAHTVYMMZSZOI-STQMWFEESA-N 2 2 230.371 2.446 20 0 BEADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414795743 386574696 /nfs/dbraw/zinc/57/46/96/386574696.db2.gz HBFQZMRZXGKTJY-YUMQZZPRSA-N 2 2 245.779 2.014 20 0 BEADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000414795742 386575822 /nfs/dbraw/zinc/57/58/22/386575822.db2.gz HBFQZMRZXGKTJY-SFYZADRCSA-N 2 2 245.779 2.014 20 0 BEADLP C[C@H](C[NH2+][C@H]1CCCNc2ccccc21)[NH+](C)C ZINC000278753052 386577035 /nfs/dbraw/zinc/57/70/35/386577035.db2.gz NYZOMKINEMOUNM-DOMZBBRYSA-N 2 2 247.386 2.473 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccsc1Cl)C1CC1 ZINC000414801460 386587672 /nfs/dbraw/zinc/58/76/72/386587672.db2.gz HAVUFMGLEDDKQO-SECBINFHSA-N 2 2 230.764 2.228 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000414801352 386589355 /nfs/dbraw/zinc/58/93/55/386589355.db2.gz LVFPPDVSELLURM-GFCCVEGCSA-N 2 2 242.725 2.306 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)s1 ZINC000415059837 386542251 /nfs/dbraw/zinc/54/22/51/386542251.db2.gz ZJMKOHRFRJQGCN-LLVKDONJSA-N 2 2 241.404 2.223 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000414802644 386597116 /nfs/dbraw/zinc/59/71/16/386597116.db2.gz KYVFPEMUQCJLEO-UHFFFAOYSA-N 2 2 241.404 2.268 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCO1 ZINC000070359629 386550375 /nfs/dbraw/zinc/55/03/75/386550375.db2.gz BEHSYTZNDZTVCY-KBPBESRZSA-N 2 2 240.391 2.020 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1F ZINC000415084119 386597352 /nfs/dbraw/zinc/59/73/52/386597352.db2.gz OBXGBVFOONWKDN-LBPRGKRZSA-N 2 2 242.313 2.428 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000228658575 386597365 /nfs/dbraw/zinc/59/73/65/386597365.db2.gz HSZYXKFVDOTASV-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP Cc1cnccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000228658575 386597367 /nfs/dbraw/zinc/59/73/67/386597367.db2.gz HSZYXKFVDOTASV-GXTWGEPZSA-N 2 2 245.370 2.105 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983925 386559516 /nfs/dbraw/zinc/55/95/16/386559516.db2.gz VINYCDSJUHTFAI-NWDGAFQWSA-N 2 2 210.365 2.391 20 0 BEADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983925 386559519 /nfs/dbraw/zinc/55/95/19/386559519.db2.gz VINYCDSJUHTFAI-NWDGAFQWSA-N 2 2 210.365 2.391 20 0 BEADLP Clc1cnc(C[NH2+]CCC[NH2+]C2CC2)s1 ZINC000415073491 386559652 /nfs/dbraw/zinc/55/96/52/386559652.db2.gz YOLJPKBUZDPWBJ-UHFFFAOYSA-N 2 2 245.779 2.028 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)ccc1F ZINC000414795630 386573549 /nfs/dbraw/zinc/57/35/49/386573549.db2.gz NGODYXSRUPAMSL-GFCCVEGCSA-N 2 2 228.286 2.038 20 0 BEADLP CC[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000292117289 386619369 /nfs/dbraw/zinc/61/93/69/386619369.db2.gz AAYOPRUIQWTHAV-ZDUSSCGKSA-N 2 2 242.326 2.252 20 0 BEADLP CC[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000292117289 386619377 /nfs/dbraw/zinc/61/93/77/386619377.db2.gz AAYOPRUIQWTHAV-ZDUSSCGKSA-N 2 2 242.326 2.252 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000520254399 386622998 /nfs/dbraw/zinc/62/29/98/386622998.db2.gz UZFPTWLBSQBCPA-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000520254399 386623000 /nfs/dbraw/zinc/62/30/00/386623000.db2.gz UZFPTWLBSQBCPA-VXGBXAGGSA-N 2 2 208.349 2.003 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000335498598 386623054 /nfs/dbraw/zinc/62/30/54/386623054.db2.gz QKWVZWHSNJGUOS-GXTWGEPZSA-N 2 2 246.354 2.160 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCCO2 ZINC000335498408 386623755 /nfs/dbraw/zinc/62/37/55/386623755.db2.gz LZWHKBMZKYIFAY-JSGCOSHPSA-N 2 2 246.354 2.160 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)CCC2 ZINC000335498898 386626082 /nfs/dbraw/zinc/62/60/82/386626082.db2.gz YJEJOSBTGMUMST-WFASDCNBSA-N 2 2 246.354 2.024 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1sccc1OC ZINC000414813087 386642654 /nfs/dbraw/zinc/64/26/54/386642654.db2.gz LVBYOLYVWPVDFC-JTQLQIEISA-N 2 2 242.388 2.364 20 0 BEADLP [NH3+]C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000414812878 386643973 /nfs/dbraw/zinc/64/39/73/386643973.db2.gz PXWYTNNWBIOPGX-LBPRGKRZSA-N 2 2 242.725 2.306 20 0 BEADLP [NH3+]C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000414805174 386609213 /nfs/dbraw/zinc/60/92/13/386609213.db2.gz PHSFUZNXGHZSRJ-CYBMUJFWSA-N 2 2 248.301 2.399 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1sc(C)nc1C ZINC000414805211 386613043 /nfs/dbraw/zinc/61/30/43/386613043.db2.gz AGUBLASXBAZNOJ-LLVKDONJSA-N 2 2 241.404 2.367 20 0 BEADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000124621379 386662023 /nfs/dbraw/zinc/66/20/23/386662023.db2.gz OPAQBSGWCMAKPP-LLVKDONJSA-N 2 2 226.270 2.157 20 0 BEADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000124621379 386662027 /nfs/dbraw/zinc/66/20/27/386662027.db2.gz OPAQBSGWCMAKPP-LLVKDONJSA-N 2 2 226.270 2.157 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnn(C(C)C)c1 ZINC000414818751 386668287 /nfs/dbraw/zinc/66/82/87/386668287.db2.gz WMKXJJLAIQSUBH-CYBMUJFWSA-N 2 2 238.379 2.071 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000292691861 386710800 /nfs/dbraw/zinc/71/08/00/386710800.db2.gz BMVUYVOCJORSFN-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000292691861 386710810 /nfs/dbraw/zinc/71/08/10/386710810.db2.gz BMVUYVOCJORSFN-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000292691861 386710817 /nfs/dbraw/zinc/71/08/17/386710817.db2.gz BMVUYVOCJORSFN-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000292691861 386710825 /nfs/dbraw/zinc/71/08/25/386710825.db2.gz BMVUYVOCJORSFN-AWEZNQCLSA-N 2 2 234.343 2.116 20 0 BEADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]C1CCCC1 ZINC000043596138 386711302 /nfs/dbraw/zinc/71/13/02/386711302.db2.gz ZFQHWNCCNKIHPC-HNNXBMFYSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccnc1 ZINC000268706999 386683857 /nfs/dbraw/zinc/68/38/57/386683857.db2.gz FAEPTFUOUJQLGW-TYNCELHUSA-N 2 2 245.370 2.215 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccnc1 ZINC000268706999 386683861 /nfs/dbraw/zinc/68/38/61/386683861.db2.gz FAEPTFUOUJQLGW-TYNCELHUSA-N 2 2 245.370 2.215 20 0 BEADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H](C)C[NH3+])CCCO2 ZINC000335468554 386686420 /nfs/dbraw/zinc/68/64/20/386686420.db2.gz UEGOOIXJDNSHES-OCCSQVGLSA-N 2 2 248.370 2.454 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH3+])CCCO2 ZINC000335468273 386686999 /nfs/dbraw/zinc/68/69/99/386686999.db2.gz PCQXEBPGBMFFSM-DGCLKSJQSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H](CC1CC1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414828304 386699228 /nfs/dbraw/zinc/69/92/28/386699228.db2.gz IPRNNWZJEBTTLE-BXUZGUMPSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@H](C1CCC1)[N@H+](C)CCn1cc[nH+]c1 ZINC000357045331 386700168 /nfs/dbraw/zinc/70/01/68/386700168.db2.gz WOJVYZCDBXXVNP-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP C[C@H](C1CCC1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000357045331 386700176 /nfs/dbraw/zinc/70/01/76/386700176.db2.gz WOJVYZCDBXXVNP-LLVKDONJSA-N 2 2 207.321 2.004 20 0 BEADLP c1cn(CC[NH2+][C@@H](C2CC2)C2CCC2)c[nH+]1 ZINC000324983426 386703349 /nfs/dbraw/zinc/70/33/49/386703349.db2.gz SCBPWBBKOYCPKW-CYBMUJFWSA-N 2 2 219.332 2.051 20 0 BEADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C)c2)n1C ZINC000520611079 386707643 /nfs/dbraw/zinc/70/76/43/386707643.db2.gz HBOWJAURTZDFAX-UHFFFAOYSA-N 2 2 229.327 2.327 20 0 BEADLP Cc1nc(C)c(C[NH2+][C@H](C[NH3+])CC(C)C)s1 ZINC000414833440 386713443 /nfs/dbraw/zinc/71/34/43/386713443.db2.gz FRSICFSWKZPUFH-NSHDSACASA-N 2 2 241.404 2.223 20 0 BEADLP Cc1csc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000335542287 386725960 /nfs/dbraw/zinc/72/59/60/386725960.db2.gz HCORPAIPOZEIFN-QWRGUYRKSA-N 2 2 239.388 2.201 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414840708 386750924 /nfs/dbraw/zinc/75/09/24/386750924.db2.gz HBZVSDVWSXORIK-UHFFFAOYSA-N 2 2 243.354 2.242 20 0 BEADLP CCc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000414930783 386754034 /nfs/dbraw/zinc/75/40/34/386754034.db2.gz PGVYYHFRZPWUKL-GWCFXTLKSA-N 2 2 238.400 2.398 20 0 BEADLP c1ccc2nc(C[N@@H+]3CCC[NH2+]CC3)ccc2c1 ZINC000020244486 386789436 /nfs/dbraw/zinc/78/94/36/386789436.db2.gz AQFZDZSBMGHULO-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1ccc2nc(C[N@H+]3CCC[NH2+]CC3)ccc2c1 ZINC000020244486 386789444 /nfs/dbraw/zinc/78/94/44/386789444.db2.gz AQFZDZSBMGHULO-UHFFFAOYSA-N 2 2 241.338 2.030 20 0 BEADLP c1cn2ccc(CNc3cccc[nH+]3)cc2[nH+]1 ZINC000357498799 386793551 /nfs/dbraw/zinc/79/35/51/386793551.db2.gz CTVMDMIQYHOZDK-UHFFFAOYSA-N 2 2 224.267 2.341 20 0 BEADLP Cc1ccoc1C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639396877 386794758 /nfs/dbraw/zinc/79/47/58/386794758.db2.gz KYOSEMUFGIGJCC-CYBMUJFWSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccoc1C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000639396877 386794762 /nfs/dbraw/zinc/79/47/62/386794762.db2.gz KYOSEMUFGIGJCC-CYBMUJFWSA-N 2 2 234.343 2.114 20 0 BEADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)C2 ZINC000353652838 386773873 /nfs/dbraw/zinc/77/38/73/386773873.db2.gz XUGWSOUWNUTZOJ-UPJWGTAASA-N 2 2 245.370 2.435 20 0 BEADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)CC2 ZINC000353652838 386773879 /nfs/dbraw/zinc/77/38/79/386773879.db2.gz XUGWSOUWNUTZOJ-UPJWGTAASA-N 2 2 245.370 2.435 20 0 BEADLP Cc1nc(C)c(C[N@@H+](C)C2(C[NH3+])CCC2)s1 ZINC000395374133 386821609 /nfs/dbraw/zinc/82/16/09/386821609.db2.gz HEYKTUZDKVRKRK-UHFFFAOYSA-N 2 2 239.388 2.073 20 0 BEADLP Cc1nc(C)c(C[N@H+](C)C2(C[NH3+])CCC2)s1 ZINC000395374133 386821615 /nfs/dbraw/zinc/82/16/15/386821615.db2.gz HEYKTUZDKVRKRK-UHFFFAOYSA-N 2 2 239.388 2.073 20 0 BEADLP Clc1ccsc1C[NH2+]CCn1cc[nH+]c1 ZINC000192980573 386805617 /nfs/dbraw/zinc/80/56/17/386805617.db2.gz FGRAXBVLXMQOQJ-UHFFFAOYSA-N 2 2 241.747 2.388 20 0 BEADLP CC(C)c1nc(NC[C@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000301288505 386830107 /nfs/dbraw/zinc/83/01/07/386830107.db2.gz VYZHTNWRKBQUBB-GFCCVEGCSA-N 2 2 248.374 2.352 20 0 BEADLP CC(C)c1nc(NC[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC000301288506 386831961 /nfs/dbraw/zinc/83/19/61/386831961.db2.gz VYZHTNWRKBQUBB-LBPRGKRZSA-N 2 2 248.374 2.352 20 0 BEADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C)C1 ZINC000051628430 386835420 /nfs/dbraw/zinc/83/54/20/386835420.db2.gz QRRYNSSHMWMHIQ-UONOGXRCSA-N 2 2 218.344 2.431 20 0 BEADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C)C1 ZINC000051628430 386835424 /nfs/dbraw/zinc/83/54/24/386835424.db2.gz QRRYNSSHMWMHIQ-UONOGXRCSA-N 2 2 218.344 2.431 20 0 BEADLP Cc1cnc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000341146328 386845726 /nfs/dbraw/zinc/84/57/26/386845726.db2.gz PUZPBFBADRTPIU-GFCCVEGCSA-N 2 2 248.330 2.263 20 0 BEADLP Cc1cnc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000341146328 386845731 /nfs/dbraw/zinc/84/57/31/386845731.db2.gz PUZPBFBADRTPIU-GFCCVEGCSA-N 2 2 248.330 2.263 20 0 BEADLP C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCCC[NH2+]1 ZINC000395086235 386855191 /nfs/dbraw/zinc/85/51/91/386855191.db2.gz RQROOYSIAZLVPH-ZYHUDNBSSA-N 2 2 224.373 2.368 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(SC)cc1 ZINC000414937946 386856326 /nfs/dbraw/zinc/85/63/26/386856326.db2.gz CVXFKVQWYLUTRB-LLVKDONJSA-N 2 2 238.400 2.496 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425343414 386857299 /nfs/dbraw/zinc/85/72/99/386857299.db2.gz IFXNJAQUKNRXJE-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425343414 386857305 /nfs/dbraw/zinc/85/73/05/386857305.db2.gz IFXNJAQUKNRXJE-FRRDWIJNSA-N 2 2 242.432 2.344 20 0 BEADLP CCc1ccc[nH+]c1NCc1[nH+]cc(C)n1C ZINC000341270120 386871798 /nfs/dbraw/zinc/87/17/98/386871798.db2.gz BMBIYGGSCUOMPZ-UHFFFAOYSA-N 2 2 230.315 2.298 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000334835840 386875895 /nfs/dbraw/zinc/87/58/95/386875895.db2.gz KFVVVIUVDJISIF-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000334835840 386875897 /nfs/dbraw/zinc/87/58/97/386875897.db2.gz KFVVVIUVDJISIF-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000334835840 386875900 /nfs/dbraw/zinc/87/59/00/386875900.db2.gz KFVVVIUVDJISIF-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000334835840 386875903 /nfs/dbraw/zinc/87/59/03/386875903.db2.gz KFVVVIUVDJISIF-JSGCOSHPSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000334835838 386875935 /nfs/dbraw/zinc/87/59/35/386875935.db2.gz KFVVVIUVDJISIF-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000334835838 386875937 /nfs/dbraw/zinc/87/59/37/386875937.db2.gz KFVVVIUVDJISIF-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000334835838 386875940 /nfs/dbraw/zinc/87/59/40/386875940.db2.gz KFVVVIUVDJISIF-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1occc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000334835838 386875942 /nfs/dbraw/zinc/87/59/42/386875942.db2.gz KFVVVIUVDJISIF-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Fc1ccc2oc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2c1 ZINC000334846527 386894742 /nfs/dbraw/zinc/89/47/42/386894742.db2.gz CCOALWCZPVASMM-GFCCVEGCSA-N 2 2 248.301 2.414 20 0 BEADLP CC1([NH2+]Cc2cccc(F)c2F)CC[NH2+]CC1 ZINC000334840971 386885568 /nfs/dbraw/zinc/88/55/68/386885568.db2.gz FETHRYKRWBSSLJ-UHFFFAOYSA-N 2 2 240.297 2.197 20 0 BEADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414941028 386889499 /nfs/dbraw/zinc/88/94/99/386889499.db2.gz YDRVSALSVJGJEW-BXUZGUMPSA-N 2 2 236.334 2.222 20 0 BEADLP Clc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000334843915 386890140 /nfs/dbraw/zinc/89/01/40/386890140.db2.gz REBMSPSIWMBARQ-ZANVPECISA-N 2 2 236.746 2.279 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)ccc1C ZINC000358228680 386915240 /nfs/dbraw/zinc/91/52/40/386915240.db2.gz VLCJSJNWHNLRGT-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)ccc1C ZINC000358228680 386915248 /nfs/dbraw/zinc/91/52/48/386915248.db2.gz VLCJSJNWHNLRGT-TZMCWYRMSA-N 2 2 248.370 2.043 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334861900 386915906 /nfs/dbraw/zinc/91/59/06/386915906.db2.gz FNKCTEPPBUNLEO-QMTHXVAHSA-N 2 2 234.318 2.155 20 0 BEADLP C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCC[NH3+] ZINC000334864413 386920078 /nfs/dbraw/zinc/92/00/78/386920078.db2.gz OTQKCSGIGYKCDN-VIFPVBQESA-N 2 2 240.297 2.233 20 0 BEADLP C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCC[NH3+] ZINC000334864413 386920083 /nfs/dbraw/zinc/92/00/83/386920083.db2.gz OTQKCSGIGYKCDN-VIFPVBQESA-N 2 2 240.297 2.233 20 0 BEADLP C[C@]1(CNc2ccc3c(c2)CCC[NH2+]3)CC[NH2+]C1 ZINC000334864275 386919312 /nfs/dbraw/zinc/91/93/12/386919312.db2.gz OGBXNKRQKLQHHX-HNNXBMFYSA-N 2 2 245.370 2.456 20 0 BEADLP Cc1ccc(NC2CCC(C[NH3+])CC2)c[nH+]1 ZINC000334848927 386898103 /nfs/dbraw/zinc/89/81/03/386898103.db2.gz MQCZNAWCFJSOCM-UHFFFAOYSA-N 2 2 219.332 2.319 20 0 BEADLP c1c2ccccc2oc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334850288 386899374 /nfs/dbraw/zinc/89/93/74/386899374.db2.gz VBSXJJZFWHRRBL-GFCCVEGCSA-N 2 2 230.311 2.274 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CS1 ZINC000334854877 386907578 /nfs/dbraw/zinc/90/75/78/386907578.db2.gz VFMPNNRVCGBQRM-GHMZBOCLSA-N 2 2 247.367 2.318 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CC[NH2+]1 ZINC000334865222 386921565 /nfs/dbraw/zinc/92/15/65/386921565.db2.gz RJMRSVFYJSXDGL-SKDRFNHKSA-N 2 2 240.297 2.195 20 0 BEADLP c1[nH+]cn2c1C[N@H+](CC1CCCCC1)CC2 ZINC000335774950 386923376 /nfs/dbraw/zinc/92/33/76/386923376.db2.gz DDRNBXRXFHQWBN-UHFFFAOYSA-N 2 2 219.332 2.279 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000335774950 386923380 /nfs/dbraw/zinc/92/33/80/386923380.db2.gz DDRNBXRXFHQWBN-UHFFFAOYSA-N 2 2 219.332 2.279 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000334866072 386923543 /nfs/dbraw/zinc/92/35/43/386923543.db2.gz WBCGCQBYADPVTI-MWLCHTKSSA-N 2 2 224.373 2.144 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000367989226 386926274 /nfs/dbraw/zinc/92/62/74/386926274.db2.gz PEMPWDPCIIHUQS-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000367989226 386926278 /nfs/dbraw/zinc/92/62/78/386926278.db2.gz PEMPWDPCIIHUQS-ZDUSSCGKSA-N 2 2 219.332 2.005 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000334869847 386931551 /nfs/dbraw/zinc/93/15/51/386931551.db2.gz PQKJGSJAOKPYBS-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000334869847 386931555 /nfs/dbraw/zinc/93/15/55/386931555.db2.gz PQKJGSJAOKPYBS-NEPJUHHUSA-N 2 2 208.349 2.003 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCSCC1 ZINC000336763051 386935806 /nfs/dbraw/zinc/93/58/06/386935806.db2.gz OULGMYUAPDSJBD-WDEREUQCSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccoc1 ZINC000368100620 386940996 /nfs/dbraw/zinc/94/09/96/386940996.db2.gz IIZNPCHDOGQLQC-ONGXEEELSA-N 2 2 231.299 2.211 20 0 BEADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccoc1 ZINC000368100620 386940999 /nfs/dbraw/zinc/94/09/99/386940999.db2.gz IIZNPCHDOGQLQC-ONGXEEELSA-N 2 2 231.299 2.211 20 0 BEADLP CC[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000116386698 386944897 /nfs/dbraw/zinc/94/48/97/386944897.db2.gz AIDCLTXQCWRLGK-HNNXBMFYSA-N 2 2 243.354 2.494 20 0 BEADLP CC1=CC[C@H]([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000514591068 387008025 /nfs/dbraw/zinc/00/80/25/387008025.db2.gz YBVKNPUODNDOHY-LBPRGKRZSA-N 2 2 208.349 2.169 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nccn1C ZINC000341879813 386981308 /nfs/dbraw/zinc/98/13/08/386981308.db2.gz OYMCFZNSFJVCDD-GFCCVEGCSA-N 2 2 244.342 2.017 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425384026 387033480 /nfs/dbraw/zinc/03/34/80/387033480.db2.gz QCNQPDHJEUQXAH-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425384026 387033484 /nfs/dbraw/zinc/03/34/84/387033484.db2.gz QCNQPDHJEUQXAH-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccsc2)CC1 ZINC000334966811 387049735 /nfs/dbraw/zinc/04/97/35/387049735.db2.gz GTXXASMFPTWELU-SNVBAGLBSA-N 2 2 224.373 2.275 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@H+](C[C@H](C)[NH3+])CC2 ZINC000334967707 387051594 /nfs/dbraw/zinc/05/15/94/387051594.db2.gz JHQNMKFIVJYJTR-LBPRGKRZSA-N 2 2 218.344 2.009 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@@H+](C[C@H](C)[NH3+])CC2 ZINC000334967707 387051598 /nfs/dbraw/zinc/05/15/98/387051598.db2.gz JHQNMKFIVJYJTR-LBPRGKRZSA-N 2 2 218.344 2.009 20 0 BEADLP C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000267319694 387019366 /nfs/dbraw/zinc/01/93/66/387019366.db2.gz YQOKQFCVGSRWAG-NWDGAFQWSA-N 2 2 219.332 2.366 20 0 BEADLP c1cc2c(cc1NC1CC[NH2+]CC1)CCC[NH2+]2 ZINC000334883732 387027533 /nfs/dbraw/zinc/02/75/33/387027533.db2.gz YSQUHWHZSLHOEW-UHFFFAOYSA-N 2 2 231.343 2.209 20 0 BEADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000334991213 387080072 /nfs/dbraw/zinc/08/00/72/387080072.db2.gz BZJYMACJTOVLQW-JSGCOSHPSA-N 2 2 249.358 2.120 20 0 BEADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000334991213 387080076 /nfs/dbraw/zinc/08/00/76/387080076.db2.gz BZJYMACJTOVLQW-JSGCOSHPSA-N 2 2 249.358 2.120 20 0 BEADLP CCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000066535546 387087026 /nfs/dbraw/zinc/08/70/26/387087026.db2.gz JVKPQLZQNIINHV-ZDUSSCGKSA-N 2 2 210.365 2.347 20 0 BEADLP CCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000066535546 387087029 /nfs/dbraw/zinc/08/70/29/387087029.db2.gz JVKPQLZQNIINHV-ZDUSSCGKSA-N 2 2 210.365 2.347 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000334997241 387088875 /nfs/dbraw/zinc/08/88/75/387088875.db2.gz CALHTEXLSVUHGD-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000334997241 387088878 /nfs/dbraw/zinc/08/88/78/387088878.db2.gz CALHTEXLSVUHGD-XHDPSFHLSA-N 2 2 247.386 2.258 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000119054683 387091676 /nfs/dbraw/zinc/09/16/76/387091676.db2.gz NYQLJTNYAJUOPG-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000119054774 387093531 /nfs/dbraw/zinc/09/35/31/387093531.db2.gz NYQLJTNYAJUOPG-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CCSCC2)C[N@@H+]1C1CC1 ZINC000129882397 387103515 /nfs/dbraw/zinc/10/35/15/387103515.db2.gz NHGHDEFPKJCPBF-JQWIXIFHSA-N 2 2 240.416 2.097 20 0 BEADLP C[C@H]1C[C@H]([NH2+]C2CCSCC2)C[N@H+]1C1CC1 ZINC000129882397 387103519 /nfs/dbraw/zinc/10/35/19/387103519.db2.gz NHGHDEFPKJCPBF-JQWIXIFHSA-N 2 2 240.416 2.097 20 0 BEADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335030295 387125395 /nfs/dbraw/zinc/12/53/95/387125395.db2.gz BJIGOUCKZZPFCK-RISCZKNCSA-N 2 2 246.354 2.111 20 0 BEADLP Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000335031761 387126609 /nfs/dbraw/zinc/12/66/09/387126609.db2.gz IFAVWHPHYHCSMY-SWLSCSKDSA-N 2 2 246.354 2.111 20 0 BEADLP Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000335031759 387127331 /nfs/dbraw/zinc/12/73/31/387127331.db2.gz IFAVWHPHYHCSMY-DOMZBBRYSA-N 2 2 246.354 2.111 20 0 BEADLP Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000335031760 387127623 /nfs/dbraw/zinc/12/76/23/387127623.db2.gz IFAVWHPHYHCSMY-IUODEOHRSA-N 2 2 246.354 2.111 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](c1cccnc1)C(C)C ZINC000423308743 387142864 /nfs/dbraw/zinc/14/28/64/387142864.db2.gz JWNBDPMUJLDJAO-AWEZNQCLSA-N 2 2 235.375 2.368 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2F ZINC000423307992 387144478 /nfs/dbraw/zinc/14/44/78/387144478.db2.gz ILZKSXHBONLELH-AWEZNQCLSA-N 2 2 236.334 2.402 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000423311098 387148616 /nfs/dbraw/zinc/14/86/16/387148616.db2.gz PDLBNBIDDDWULU-CQSZACIVSA-N 2 2 248.370 2.490 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000423311097 387149234 /nfs/dbraw/zinc/14/92/34/387149234.db2.gz PDLBNBIDDDWULU-AWEZNQCLSA-N 2 2 248.370 2.490 20 0 BEADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1F ZINC000423312823 387151870 /nfs/dbraw/zinc/15/18/70/387151870.db2.gz DTPYXASVJZSIPQ-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423319343 387158598 /nfs/dbraw/zinc/15/85/98/387158598.db2.gz ZWTWKMTWUZWPJX-LLVKDONJSA-N 2 2 224.323 2.476 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423318619 387159682 /nfs/dbraw/zinc/15/96/82/387159682.db2.gz ZDEPENGKRPUCEX-GFCCVEGCSA-N 2 2 236.359 2.345 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)o1 ZINC000423321693 387164236 /nfs/dbraw/zinc/16/42/36/387164236.db2.gz NMPDLDMLPXCOBD-CABZTGNLSA-N 2 2 222.332 2.230 20 0 BEADLP CCC[C@@H]([NH2+]CC[NH2+]CCOC)C(C)(C)C ZINC000423342136 387193393 /nfs/dbraw/zinc/19/33/93/387193393.db2.gz VDEVERKZTISMJM-GFCCVEGCSA-N 2 2 230.396 2.027 20 0 BEADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000423323262 387168722 /nfs/dbraw/zinc/16/87/22/387168722.db2.gz OTHPXDJWBSKPOU-ZWNOBZJWSA-N 2 2 234.343 2.083 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423329308 387172910 /nfs/dbraw/zinc/17/29/10/387172910.db2.gz OUVYOUMNVOWDRD-SECBINFHSA-N 2 2 240.372 2.289 20 0 BEADLP CC(C)C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccn1 ZINC000423332310 387177473 /nfs/dbraw/zinc/17/74/73/387177473.db2.gz UXXNEHWEANAIDK-ZFWWWQNUSA-N 2 2 247.386 2.496 20 0 BEADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)oc1C ZINC000423332961 387177484 /nfs/dbraw/zinc/17/74/84/387177484.db2.gz ROXAGKUJAMBJRZ-SNVBAGLBSA-N 2 2 222.332 2.428 20 0 BEADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)oc1C ZINC000423332960 387177835 /nfs/dbraw/zinc/17/78/35/387177835.db2.gz ROXAGKUJAMBJRZ-JTQLQIEISA-N 2 2 222.332 2.428 20 0 BEADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1csc(Cl)c1 ZINC000423338602 387187810 /nfs/dbraw/zinc/18/78/10/387187810.db2.gz WGZDMFJKNWNHKU-RNFRBKRXSA-N 2 2 218.753 2.399 20 0 BEADLP Cc1sccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336359224 387188781 /nfs/dbraw/zinc/18/87/81/387188781.db2.gz JPLODTXNCCLIDR-GFCCVEGCSA-N 2 2 247.367 2.358 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000423301465 387135794 /nfs/dbraw/zinc/13/57/94/387135794.db2.gz TVEKAFJFEKTAMZ-GWCFXTLKSA-N 2 2 239.338 2.389 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423303862 387136771 /nfs/dbraw/zinc/13/67/71/387136771.db2.gz MSPMUCDUUJXQJL-CORIIIEPSA-N 2 2 230.355 2.262 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccn1 ZINC000423304277 387137240 /nfs/dbraw/zinc/13/72/40/387137240.db2.gz YHBOFIUVZWUCEK-RYUDHWBXSA-N 2 2 221.348 2.250 20 0 BEADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnn(CC)c1 ZINC000423304001 387137551 /nfs/dbraw/zinc/13/75/51/387137551.db2.gz XXRYGDDDUSLVTH-YPMHNXCESA-N 2 2 238.379 2.071 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2occc21 ZINC000423374114 387203675 /nfs/dbraw/zinc/20/36/75/387203675.db2.gz HTKIVPMGZBLOKU-ZYHUDNBSSA-N 2 2 222.332 2.245 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000423355261 387206307 /nfs/dbraw/zinc/20/63/07/387206307.db2.gz FCEJMWYOGYQBKB-UGFHNGPFSA-N 2 2 230.355 2.262 20 0 BEADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423356514 387207192 /nfs/dbraw/zinc/20/71/92/387207192.db2.gz KBFGXGKOEAQEKU-BPLDGKMQSA-N 2 2 248.370 2.104 20 0 BEADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)o1 ZINC000423363248 387216426 /nfs/dbraw/zinc/21/64/26/387216426.db2.gz NUBVYRQTAKOICP-GVXVVHGQSA-N 2 2 236.359 2.491 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cc(C)ccc1OC ZINC000423364792 387216507 /nfs/dbraw/zinc/21/65/07/387216507.db2.gz JXOYYOZKCQSXBH-AAEUAGOBSA-N 2 2 236.359 2.392 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423371575 387224536 /nfs/dbraw/zinc/22/45/36/387224536.db2.gz AKVIJDHJONMQQJ-BXUZGUMPSA-N 2 2 248.370 2.357 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH3+])CCCO2 ZINC000423369868 387224944 /nfs/dbraw/zinc/22/49/44/387224944.db2.gz PCQXEBPGBMFFSM-WCQYABFASA-N 2 2 234.343 2.146 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000423373027 387225608 /nfs/dbraw/zinc/22/56/08/387225608.db2.gz GUAWJBIOIQTQRM-NEPJUHHUSA-N 2 2 236.359 2.344 20 0 BEADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])s1 ZINC000423371464 387226732 /nfs/dbraw/zinc/22/67/32/387226732.db2.gz QOQNKXBPHPUIBP-YUMQZZPRSA-N 2 2 227.377 2.012 20 0 BEADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccncc1F ZINC000423372987 387227487 /nfs/dbraw/zinc/22/74/87/387227487.db2.gz GMYBIIJEYWYUCR-MXWKQRLJSA-N 2 2 237.322 2.012 20 0 BEADLP COCC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000423325373 387230339 /nfs/dbraw/zinc/23/03/39/387230339.db2.gz IOUXACXUCGLRHI-KBPBESRZSA-N 2 2 242.407 2.027 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CCCO1 ZINC000063074099 387247751 /nfs/dbraw/zinc/24/77/51/387247751.db2.gz AEORBYSNRBZWGE-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CCCO1 ZINC000063074099 387247756 /nfs/dbraw/zinc/24/77/56/387247756.db2.gz AEORBYSNRBZWGE-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCOC2)c[nH+]1 ZINC000353658826 387250966 /nfs/dbraw/zinc/25/09/66/387250966.db2.gz JVUMSZVUGCAINX-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCOC2)c[nH+]1 ZINC000353658826 387250971 /nfs/dbraw/zinc/25/09/71/387250971.db2.gz JVUMSZVUGCAINX-AWEZNQCLSA-N 2 2 234.343 2.043 20 0 BEADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C(C)C)cc1 ZINC000423344885 387194370 /nfs/dbraw/zinc/19/43/70/387194370.db2.gz XEFSWEOHIZBYIO-GJZGRUSLSA-N 2 2 248.370 2.139 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1 ZINC000058839856 387198434 /nfs/dbraw/zinc/19/84/34/387198434.db2.gz HIPFETZJSLFJLW-LBPRGKRZSA-N 2 2 206.333 2.337 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423463161 387310190 /nfs/dbraw/zinc/31/01/90/387310190.db2.gz LEYGDAHANYRSSN-SCZZXKLOSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423462637 387310207 /nfs/dbraw/zinc/31/02/07/387310207.db2.gz KXGLSSFRKRRPQB-IUCAKERBSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2ccccc21 ZINC000423463100 387310697 /nfs/dbraw/zinc/31/06/97/387310697.db2.gz LBYHBQIDRGIBEB-YPMHNXCESA-N 2 2 234.343 2.227 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423462636 387311262 /nfs/dbraw/zinc/31/12/62/387311262.db2.gz KXGLSSFRKRRPQB-DTWKUNHWSA-N 2 2 228.286 2.353 20 0 BEADLP CCS[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000286124238 387314946 /nfs/dbraw/zinc/31/49/46/387314946.db2.gz MIXDVYDDBCKMQJ-VXGBXAGGSA-N 2 2 239.388 2.147 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423374371 387254704 /nfs/dbraw/zinc/25/47/04/387254704.db2.gz STAKSLXPJYIOHT-QWRGUYRKSA-N 2 2 222.332 2.083 20 0 BEADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccs1 ZINC000423374508 387255464 /nfs/dbraw/zinc/25/54/64/387255464.db2.gz XBBYZSCPYVAMCK-VWYCJHECSA-N 2 2 224.373 2.397 20 0 BEADLP C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000120558296 387255878 /nfs/dbraw/zinc/25/58/78/387255878.db2.gz RJRXLWNUIJSZSZ-IUODEOHRSA-N 2 2 245.370 2.044 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000423376479 387257876 /nfs/dbraw/zinc/25/78/76/387257876.db2.gz JKZUZRIFXJRGJW-RKDXNWHRSA-N 2 2 241.404 2.409 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423392472 387278954 /nfs/dbraw/zinc/27/89/54/387278954.db2.gz XNTOLYCYDDQFQK-GHMZBOCLSA-N 2 2 224.323 2.474 20 0 BEADLP CC[C@H]([NH2+]C[C@H](C)[NH2+]C)c1ccccc1OC ZINC000423394160 387282186 /nfs/dbraw/zinc/28/21/86/387282186.db2.gz PXWORPKKFCMBCU-AAEUAGOBSA-N 2 2 236.359 2.344 20 0 BEADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000162050615 387301140 /nfs/dbraw/zinc/30/11/40/387301140.db2.gz RQGKYBXANVBEPA-QMMMGPOBSA-N 2 2 232.249 2.142 20 0 BEADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1C[C@H]1C ZINC000321770531 387302740 /nfs/dbraw/zinc/30/27/40/387302740.db2.gz FIQXDQICXYVYLR-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000423472336 387318775 /nfs/dbraw/zinc/31/87/75/387318775.db2.gz QCXLBJRSJCDCCE-NEPJUHHUSA-N 2 2 236.359 2.392 20 0 BEADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])oc1C ZINC000423459774 387307969 /nfs/dbraw/zinc/30/79/69/387307969.db2.gz IJVRTDZSEIJUTK-BBBLOLIVSA-N 2 2 210.321 2.283 20 0 BEADLP CCc1cccnc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502119 387355825 /nfs/dbraw/zinc/35/58/25/387355825.db2.gz XPDXETRAQIAVGM-GXTWGEPZSA-N 2 2 247.386 2.437 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@](C)(O)C2CC2)c[nH+]1 ZINC000354346279 387362911 /nfs/dbraw/zinc/36/29/11/387362911.db2.gz GVUMEVYFLCOUDQ-HNNXBMFYSA-N 2 2 248.370 2.073 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000423542855 387369135 /nfs/dbraw/zinc/36/91/35/387369135.db2.gz BEHPNFZMJUSLID-OCCSQVGLSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556893 387375272 /nfs/dbraw/zinc/37/52/72/387375272.db2.gz MXQVUYQKTRXDEY-QWHCGFSZSA-N 2 2 248.370 2.488 20 0 BEADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CCCCO3)CC2)[nH+]1 ZINC000336554296 387376888 /nfs/dbraw/zinc/37/68/88/387376888.db2.gz SMDFGMUAGRRWDO-ZDUSSCGKSA-N 2 2 249.358 2.158 20 0 BEADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423567935 387377842 /nfs/dbraw/zinc/37/78/42/387377842.db2.gz VKFDNZOFQZRLHT-TZMCWYRMSA-N 2 2 248.370 2.488 20 0 BEADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccncc1F ZINC000423572109 387380384 /nfs/dbraw/zinc/38/03/84/387380384.db2.gz YGLLYXLTMRWKJP-SNVBAGLBSA-N 2 2 237.322 2.013 20 0 BEADLP CCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)o1 ZINC000423476881 387323721 /nfs/dbraw/zinc/32/37/21/387323721.db2.gz SUXBUCHEYQVCEV-VHSXEESVSA-N 2 2 210.321 2.230 20 0 BEADLP Cc1cc(N)cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000423476626 387325418 /nfs/dbraw/zinc/32/54/18/387325418.db2.gz KRQYGXOZEKJRDL-WFASDCNBSA-N 2 2 247.386 2.197 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCOC2)c[nH+]1 ZINC000354125887 387334997 /nfs/dbraw/zinc/33/49/97/387334997.db2.gz UOJMMFNZTYGCJD-HNNXBMFYSA-N 2 2 248.370 2.339 20 0 BEADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccn1 ZINC000423494870 387338897 /nfs/dbraw/zinc/33/88/97/387338897.db2.gz BDSWXHUJBSHFDS-RISCZKNCSA-N 2 2 233.359 2.250 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000515171272 387343597 /nfs/dbraw/zinc/34/35/97/387343597.db2.gz NCPYTFIAQIOCFZ-DGCLKSJQSA-N 2 2 248.374 2.234 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000515171272 387343598 /nfs/dbraw/zinc/34/35/98/387343598.db2.gz NCPYTFIAQIOCFZ-DGCLKSJQSA-N 2 2 248.374 2.234 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)[C@H]1C[C@@H]1C ZINC000321997158 387345311 /nfs/dbraw/zinc/34/53/11/387345311.db2.gz FYZXLPTXSDYPEQ-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)[C@H]1C[C@@H]1C ZINC000321997158 387345313 /nfs/dbraw/zinc/34/53/13/387345313.db2.gz FYZXLPTXSDYPEQ-XUXIUFHCSA-N 2 2 224.392 2.495 20 0 BEADLP Cc1ccc(CCC[NH2+]C2(C)CCOCC2)c[nH+]1 ZINC000354479231 387383734 /nfs/dbraw/zinc/38/37/34/387383734.db2.gz PJJHKMNGVOJEKD-UHFFFAOYSA-N 2 2 248.370 2.481 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)n1 ZINC000643501223 387350185 /nfs/dbraw/zinc/35/01/85/387350185.db2.gz APLGUBXOIOXGSQ-JSGCOSHPSA-N 2 2 247.386 2.491 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)n1 ZINC000643501222 387350245 /nfs/dbraw/zinc/35/02/45/387350245.db2.gz APLGUBXOIOXGSQ-GXTWGEPZSA-N 2 2 247.386 2.491 20 0 BEADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(C)cc1 ZINC000423520960 387352773 /nfs/dbraw/zinc/35/27/73/387352773.db2.gz KUDFTFGTCNKWDE-CABCVRRESA-N 2 2 248.370 2.024 20 0 BEADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCOC1 ZINC000361250235 387425444 /nfs/dbraw/zinc/42/54/44/387425444.db2.gz JMWWSOXUEJXWDA-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCOC1 ZINC000361250235 387425449 /nfs/dbraw/zinc/42/54/49/387425449.db2.gz JMWWSOXUEJXWDA-OAHLLOKOSA-N 2 2 248.370 2.433 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCOCC1 ZINC000367376763 387438974 /nfs/dbraw/zinc/43/89/74/387438974.db2.gz CVVWYNVPVKZNMJ-UHFFFAOYSA-N 2 2 234.343 2.045 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCOCC1 ZINC000367376763 387438979 /nfs/dbraw/zinc/43/89/79/387438979.db2.gz CVVWYNVPVKZNMJ-UHFFFAOYSA-N 2 2 234.343 2.045 20 0 BEADLP C[C@@H]([NH2+]CC[NH3+])c1sccc1Br ZINC000037713037 387441447 /nfs/dbraw/zinc/44/14/47/387441447.db2.gz AZPZKVDQOREHRS-ZCFIWIBFSA-N 2 2 249.177 2.120 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc2c(c1)COC2 ZINC000643506392 387459050 /nfs/dbraw/zinc/45/90/50/387459050.db2.gz UXKSAZWSMUBFAD-LLVKDONJSA-N 2 2 246.354 2.119 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccncc1 ZINC000336565705 387390780 /nfs/dbraw/zinc/39/07/80/387390780.db2.gz RIPQMFVFXCBMIU-ZYHUDNBSSA-N 2 2 242.326 2.013 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccncc1 ZINC000336565705 387390785 /nfs/dbraw/zinc/39/07/85/387390785.db2.gz RIPQMFVFXCBMIU-ZYHUDNBSSA-N 2 2 242.326 2.013 20 0 BEADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CO2 ZINC000643467366 387396643 /nfs/dbraw/zinc/39/66/43/387396643.db2.gz NQHAANNIKOHYSH-IACUBPJLSA-N 2 2 246.354 2.159 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506479 387460294 /nfs/dbraw/zinc/46/02/94/387460294.db2.gz YHTARQJBNBHACV-LBPRGKRZSA-N 2 2 218.344 2.398 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361081627 387398974 /nfs/dbraw/zinc/39/89/74/387398974.db2.gz NCKKFQLMXQPXHO-CQSZACIVSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000361081627 387398981 /nfs/dbraw/zinc/39/89/81/387398981.db2.gz NCKKFQLMXQPXHO-CQSZACIVSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c[nH+]1 ZINC000354630010 387407696 /nfs/dbraw/zinc/40/76/96/387407696.db2.gz CVQYSPKUSJZFGZ-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@H+]2CC[C@@H](O)[C@@H](C)C2)c[nH+]1 ZINC000354630010 387407699 /nfs/dbraw/zinc/40/76/99/387407699.db2.gz CVQYSPKUSJZFGZ-SWLSCSKDSA-N 2 2 248.370 2.025 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)CC2(O)CCC2)c[nH+]1 ZINC000354685732 387416144 /nfs/dbraw/zinc/41/61/44/387416144.db2.gz ZTSUTRXEFWGGFF-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1ccc(CCC[N@H+](C)CC2(O)CCC2)c[nH+]1 ZINC000354685732 387416151 /nfs/dbraw/zinc/41/61/51/387416151.db2.gz ZTSUTRXEFWGGFF-UHFFFAOYSA-N 2 2 248.370 2.169 20 0 BEADLP CC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000361222153 387418805 /nfs/dbraw/zinc/41/88/05/387418805.db2.gz XPYROFIYCXZEHT-GFCCVEGCSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000352811024 387502948 /nfs/dbraw/zinc/50/29/48/387502948.db2.gz RGENIGKACDGMLY-YRGRVCCFSA-N 2 2 248.370 2.425 20 0 BEADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000352811024 387502951 /nfs/dbraw/zinc/50/29/51/387502951.db2.gz RGENIGKACDGMLY-YRGRVCCFSA-N 2 2 248.370 2.425 20 0 BEADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000643509084 387506808 /nfs/dbraw/zinc/50/68/08/387506808.db2.gz KWDDXEZWIVGKIE-ZNMIVQPWSA-N 2 2 248.370 2.234 20 0 BEADLP Cc1cccc2[nH+]c(CC[NH2+]C[C@@H]3C[C@@H]3C)cn21 ZINC000648078925 387508221 /nfs/dbraw/zinc/50/82/21/387508221.db2.gz YLJQYFZAROLYFO-AAEUAGOBSA-N 2 2 243.354 2.431 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923872 387534272 /nfs/dbraw/zinc/53/42/72/387534272.db2.gz LZKBICGZEYGMAO-CABZTGNLSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425923872 387534276 /nfs/dbraw/zinc/53/42/76/387534276.db2.gz LZKBICGZEYGMAO-CABZTGNLSA-N 2 2 244.329 2.104 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)C[C@H]2CCOC2)c[nH+]1 ZINC000361800726 387535675 /nfs/dbraw/zinc/53/56/75/387535675.db2.gz TXMVFRDRXSICCR-OAHLLOKOSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1ccc(CCC[N@H+](C)C[C@H]2CCOC2)c[nH+]1 ZINC000361800726 387535679 /nfs/dbraw/zinc/53/56/79/387535679.db2.gz TXMVFRDRXSICCR-OAHLLOKOSA-N 2 2 248.370 2.291 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]CC[NH2+]C1CC1 ZINC000643505850 387463898 /nfs/dbraw/zinc/46/38/98/387463898.db2.gz BMPJMPYBGKHLLM-SNVBAGLBSA-N 2 2 224.373 2.021 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506151 387465647 /nfs/dbraw/zinc/46/56/47/387465647.db2.gz MBBPWKUEHFZYLT-LBPRGKRZSA-N 2 2 218.344 2.398 20 0 BEADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccsc1 ZINC000643506316 387465691 /nfs/dbraw/zinc/46/56/91/387465691.db2.gz RVEQKEWCDZKITA-VIFPVBQESA-N 2 2 210.346 2.151 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc2C1)[NH+](C)C ZINC000648498051 387467587 /nfs/dbraw/zinc/46/75/87/387467587.db2.gz GRHCOZMDMSATJI-XJKSGUPXSA-N 2 2 246.398 2.474 20 0 BEADLP Cc1ccc(CCC[NH2+][C@@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000516182674 387468196 /nfs/dbraw/zinc/46/81/96/387468196.db2.gz HVCTULPKNLVCFN-JSGCOSHPSA-N 2 2 234.343 2.090 20 0 BEADLP CCc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cn1 ZINC000352766754 387470018 /nfs/dbraw/zinc/47/00/18/387470018.db2.gz AJUXBFOMNNQWNR-GFCCVEGCSA-N 2 2 244.342 2.019 20 0 BEADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507560 387477171 /nfs/dbraw/zinc/47/71/71/387477171.db2.gz IFAUIXRRLGPGEV-IUODEOHRSA-N 2 2 248.370 2.104 20 0 BEADLP Cc1occc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000643472147 387483970 /nfs/dbraw/zinc/48/39/70/387483970.db2.gz ABPVZOIXJSYTFP-CHWSQXEVSA-N 2 2 222.332 2.338 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccoc1C)[C@@H]1CCC[NH2+]1 ZINC000643472222 387484721 /nfs/dbraw/zinc/48/47/21/387484721.db2.gz JHZJCIFPSQYPFG-OLZOCXBDSA-N 2 2 222.332 2.208 20 0 BEADLP CC[C@H]([NH2+]Cc1ccoc1C)[C@@H]1CCC[NH2+]1 ZINC000643472223 387485373 /nfs/dbraw/zinc/48/53/73/387485373.db2.gz JHZJCIFPSQYPFG-STQMWFEESA-N 2 2 222.332 2.208 20 0 BEADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000417965386 387491603 /nfs/dbraw/zinc/49/16/03/387491603.db2.gz KUWABEXVANOBSI-QEJZJMRPSA-N 2 2 232.371 2.330 20 0 BEADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@H](O)C2)c[nH+]1 ZINC000355170032 387492963 /nfs/dbraw/zinc/49/29/63/387492963.db2.gz VWAYDVOEVAHYAQ-GJZGRUSLSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1c(F)cccc1F ZINC000422715639 387628384 /nfs/dbraw/zinc/62/83/84/387628384.db2.gz STGAPUXMEJTGQJ-IUCAKERBSA-N 2 2 240.297 2.223 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(F)(F)F)C1 ZINC000355881384 387590075 /nfs/dbraw/zinc/59/00/75/387590075.db2.gz PTTWUJSNQAPNAO-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(F)(F)F)C1 ZINC000355881384 387590080 /nfs/dbraw/zinc/59/00/80/387590080.db2.gz PTTWUJSNQAPNAO-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000355881384 387590083 /nfs/dbraw/zinc/59/00/83/387590083.db2.gz PTTWUJSNQAPNAO-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000355881384 387590085 /nfs/dbraw/zinc/59/00/85/387590085.db2.gz PTTWUJSNQAPNAO-JTQLQIEISA-N 2 2 238.297 2.212 20 0 BEADLP c1cncc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000362272674 387590723 /nfs/dbraw/zinc/59/07/23/387590723.db2.gz ICZBBKLAESESKY-UHFFFAOYSA-N 2 2 245.370 2.188 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccoc1 ZINC000643513667 387597930 /nfs/dbraw/zinc/59/79/30/387597930.db2.gz YNFSPVNUTQCDHL-JTQLQIEISA-N 2 2 210.321 2.448 20 0 BEADLP CC1=C[C@H](C)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000430285108 387608139 /nfs/dbraw/zinc/60/81/39/387608139.db2.gz QXNFZUOSMAXJTA-LBPRGKRZSA-N 2 2 219.332 2.171 20 0 BEADLP CC1=C[C@H](C)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000430285108 387608143 /nfs/dbraw/zinc/60/81/43/387608143.db2.gz QXNFZUOSMAXJTA-LBPRGKRZSA-N 2 2 219.332 2.171 20 0 BEADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)n2)C1 ZINC000362396621 387608793 /nfs/dbraw/zinc/60/87/93/387608793.db2.gz AZPAFFGITVBIGX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C)n2)C1 ZINC000362396621 387608799 /nfs/dbraw/zinc/60/87/99/387608799.db2.gz AZPAFFGITVBIGX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C)n2)C1 ZINC000362396621 387608806 /nfs/dbraw/zinc/60/88/06/387608806.db2.gz AZPAFFGITVBIGX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000362396621 387608808 /nfs/dbraw/zinc/60/88/08/387608808.db2.gz AZPAFFGITVBIGX-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000528766533 387635462 /nfs/dbraw/zinc/63/54/62/387635462.db2.gz GWKSRLCTXMHHCN-SNVBAGLBSA-N 2 2 229.274 2.003 20 0 BEADLP C[C@@H]1CC(F)(F)CC[N@H+]1CCn1cc[nH+]c1 ZINC000528766533 387635469 /nfs/dbraw/zinc/63/54/69/387635469.db2.gz GWKSRLCTXMHHCN-SNVBAGLBSA-N 2 2 229.274 2.003 20 0 BEADLP CCOc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422730414 387639010 /nfs/dbraw/zinc/63/90/10/387639010.db2.gz DWBCGVJHVRYVSP-OCCSQVGLSA-N 2 2 248.370 2.173 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631308 387643626 /nfs/dbraw/zinc/64/36/26/387643626.db2.gz IVHUHUBCFVCFEI-ATGSNQNLSA-N 2 2 236.403 2.495 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527631308 387643632 /nfs/dbraw/zinc/64/36/32/387643632.db2.gz IVHUHUBCFVCFEI-ATGSNQNLSA-N 2 2 236.403 2.495 20 0 BEADLP COc1ccc([C@@H]([NH2+]C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422738808 387644883 /nfs/dbraw/zinc/64/48/83/387644883.db2.gz ZMJPNAXJOQSRPK-LSDHHAIUSA-N 2 2 246.354 2.240 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672150 387653370 /nfs/dbraw/zinc/65/33/70/387653370.db2.gz CNSVTGWQRUFJND-GVNCQOTDSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1C[C@H]1C1CC1 ZINC000527672150 387653374 /nfs/dbraw/zinc/65/33/74/387653374.db2.gz CNSVTGWQRUFJND-GVNCQOTDSA-N 2 2 248.414 2.493 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)CCc1c(F)cccc1Cl ZINC000430920004 387660950 /nfs/dbraw/zinc/66/09/50/387660950.db2.gz MZDNXRYPFFMZRJ-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1c(F)cccc1Cl ZINC000430920004 387660952 /nfs/dbraw/zinc/66/09/52/387660952.db2.gz MZDNXRYPFFMZRJ-VIFPVBQESA-N 2 2 244.741 2.301 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654091 387663022 /nfs/dbraw/zinc/66/30/22/387663022.db2.gz PLGXQOWSNPTSNK-FDEJFUCISA-N 2 2 234.387 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527654091 387663026 /nfs/dbraw/zinc/66/30/26/387663026.db2.gz PLGXQOWSNPTSNK-FDEJFUCISA-N 2 2 234.387 2.247 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc[nH]c1 ZINC000126171329 387673583 /nfs/dbraw/zinc/67/35/83/387673583.db2.gz JUEHZUBAYQYNRN-UHFFFAOYSA-N 2 2 215.300 2.050 20 0 BEADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440778011 387692504 /nfs/dbraw/zinc/69/25/04/387692504.db2.gz JJEGEIDIOXWUPG-GHMZBOCLSA-N 2 2 225.311 2.337 20 0 BEADLP CC[C@@H](F)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000440778011 387692507 /nfs/dbraw/zinc/69/25/07/387692507.db2.gz JJEGEIDIOXWUPG-GHMZBOCLSA-N 2 2 225.311 2.337 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643525339 387742791 /nfs/dbraw/zinc/74/27/91/387742791.db2.gz XPJOBZRPLRNXHQ-UBHSHLNASA-N 2 2 245.370 2.189 20 0 BEADLP C[C@H]([NH2+]Cc1ccsc1)c1c[nH+]ccc1N ZINC000422861155 387745425 /nfs/dbraw/zinc/74/54/25/387745425.db2.gz MIGMKDGIZLMBSQ-VIFPVBQESA-N 2 2 233.340 2.406 20 0 BEADLP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422869465 387749310 /nfs/dbraw/zinc/74/93/10/387749310.db2.gz AEFWIPDDBDCCSE-ZIAGYGMSSA-N 2 2 248.370 2.363 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422871753 387749338 /nfs/dbraw/zinc/74/93/38/387749338.db2.gz DMRYJHSBNBCHCZ-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527847046 387752301 /nfs/dbraw/zinc/75/23/01/387752301.db2.gz NTFBAGNZJOQAEB-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527847046 387752309 /nfs/dbraw/zinc/75/23/09/387752309.db2.gz NTFBAGNZJOQAEB-UPJWGTAASA-N 2 2 222.376 2.249 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1(C)CC1 ZINC000163521733 387704537 /nfs/dbraw/zinc/70/45/37/387704537.db2.gz UOAMVTWVHOHPHO-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1(C)CC1 ZINC000163521733 387704544 /nfs/dbraw/zinc/70/45/44/387704544.db2.gz UOAMVTWVHOHPHO-GFCCVEGCSA-N 2 2 212.381 2.497 20 0 BEADLP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000422806963 387706665 /nfs/dbraw/zinc/70/66/65/387706665.db2.gz JDADAZKPMFIQKT-LSDHHAIUSA-N 2 2 230.355 2.398 20 0 BEADLP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)CS1 ZINC000418115635 387708258 /nfs/dbraw/zinc/70/82/58/387708258.db2.gz PNFGUPNYMKWURX-NWDGAFQWSA-N 2 2 242.432 2.200 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)n1 ZINC000643521092 387711039 /nfs/dbraw/zinc/71/10/39/387711039.db2.gz ANAIOLZHYPXLFJ-RIEGTJTDSA-N 2 2 247.386 2.347 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000643521197 387711237 /nfs/dbraw/zinc/71/12/37/387711237.db2.gz SCHJXUFBLDXUFW-KWCYVHTRSA-N 2 2 245.370 2.047 20 0 BEADLP Cn1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805811 387728663 /nfs/dbraw/zinc/72/86/63/387728663.db2.gz IFTWGZOYNKQCOL-OAHLLOKOSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805811 387728668 /nfs/dbraw/zinc/72/86/68/387728668.db2.gz IFTWGZOYNKQCOL-OAHLLOKOSA-N 2 2 247.386 2.132 20 0 BEADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000422838680 387729813 /nfs/dbraw/zinc/72/98/13/387729813.db2.gz OWOUIVITGBYOOL-JRPNMDOOSA-N 2 2 248.345 2.401 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527864239 387738410 /nfs/dbraw/zinc/73/84/10/387738410.db2.gz KNTGCUMAQSMBGS-AGIUHOORSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CC12CC2 ZINC000527864239 387738416 /nfs/dbraw/zinc/73/84/16/387738416.db2.gz KNTGCUMAQSMBGS-AGIUHOORSA-N 2 2 222.376 2.106 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000643525963 387756034 /nfs/dbraw/zinc/75/60/34/387756034.db2.gz KKORVDJGPLCIAR-UWVGGRQHSA-N 2 2 218.300 2.431 20 0 BEADLP CC(C)C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccn1 ZINC000643528304 387767818 /nfs/dbraw/zinc/76/78/18/387767818.db2.gz GTLRXBHGIXOWBL-YPMHNXCESA-N 2 2 221.348 2.106 20 0 BEADLP CC(C)C[C@H]([NH2+]C[C@H](C)[NH3+])c1ccccn1 ZINC000643528301 387768279 /nfs/dbraw/zinc/76/82/79/387768279.db2.gz GTLRXBHGIXOWBL-AAEUAGOBSA-N 2 2 221.348 2.106 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H](C)[NH3+] ZINC000643529154 387769754 /nfs/dbraw/zinc/76/97/54/387769754.db2.gz WAEDFLYUWYNYGZ-DGCLKSJQSA-N 2 2 234.343 2.146 20 0 BEADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000643528573 387770154 /nfs/dbraw/zinc/77/01/54/387770154.db2.gz LOSHUHWAUQCORY-IUCAKERBSA-N 2 2 235.356 2.294 20 0 BEADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000643528151 387774744 /nfs/dbraw/zinc/77/47/44/387774744.db2.gz DOSFVHSSNJDQQQ-RKDXNWHRSA-N 2 2 239.388 2.020 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643529393 387777423 /nfs/dbraw/zinc/77/74/23/387777423.db2.gz ZESUHCVLBZIETJ-QWRGUYRKSA-N 2 2 222.332 2.001 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC12CC2 ZINC000527901111 387780280 /nfs/dbraw/zinc/78/02/80/387780280.db2.gz QJFTWVRRLMPZPO-YPMHNXCESA-N 2 2 245.370 2.498 20 0 BEADLP C[C@@H]([NH2+]C1(c2ccccc2F)CC1)C1C[NH2+]C1 ZINC000422947129 387784896 /nfs/dbraw/zinc/78/48/96/387784896.db2.gz PTJCWZTVCZOJPX-SNVBAGLBSA-N 2 2 234.318 2.012 20 0 BEADLP COc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000527913759 387786769 /nfs/dbraw/zinc/78/67/69/387786769.db2.gz JWEXVOUDDQLWCA-RYUDHWBXSA-N 2 2 249.358 2.375 20 0 BEADLP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422979420 387789906 /nfs/dbraw/zinc/78/99/06/387789906.db2.gz MQXRAXVJWATNNW-ZPZWRKOSSA-N 2 2 230.355 2.430 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000527925461 387792033 /nfs/dbraw/zinc/79/20/33/387792033.db2.gz KPDWPFXGSTXXJI-FAHYXWLWSA-N 2 2 248.414 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000527925461 387792035 /nfs/dbraw/zinc/79/20/35/387792035.db2.gz KPDWPFXGSTXXJI-FAHYXWLWSA-N 2 2 248.414 2.495 20 0 BEADLP COC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422952900 387809910 /nfs/dbraw/zinc/80/99/10/387809910.db2.gz COAVKFWHDBHNIN-QEJZJMRPSA-N 2 2 248.370 2.104 20 0 BEADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1CCC[NH2+]1 ZINC000423012010 387835937 /nfs/dbraw/zinc/83/59/37/387835937.db2.gz JYBHKOIZXOFCHL-GJZGRUSLSA-N 3 2 247.386 2.053 20 0 BEADLP C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423015743 387838316 /nfs/dbraw/zinc/83/83/16/387838316.db2.gz RKQCEVAQASCDRV-DFBGVHRSSA-N 2 2 245.370 2.263 20 0 BEADLP Cc1ccsc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000163684651 387874245 /nfs/dbraw/zinc/87/42/45/387874245.db2.gz YNGCMOHJZUOENC-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP Cc1ccsc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000163684651 387874249 /nfs/dbraw/zinc/87/42/49/387874249.db2.gz YNGCMOHJZUOENC-LLVKDONJSA-N 2 2 224.373 2.240 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000423044449 387854735 /nfs/dbraw/zinc/85/47/35/387854735.db2.gz ANVYXTOULOYTLW-LPEHRKFASA-N 2 2 238.297 2.305 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423051761 387859347 /nfs/dbraw/zinc/85/93/47/387859347.db2.gz OZDLEKZUIDHWCI-DJLDLDEBSA-N 2 2 224.270 2.057 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(F)cc1 ZINC000643535331 387862687 /nfs/dbraw/zinc/86/26/87/387862687.db2.gz BRVRUXDHANGXRB-XDTLVQLUSA-N 2 2 240.297 2.176 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1C[C@@H]1C ZINC000322062908 387874588 /nfs/dbraw/zinc/87/45/88/387874588.db2.gz RJGCVGINYCGTNZ-XQQFMLRXSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C1C[NH2+]C1 ZINC000423067216 387869421 /nfs/dbraw/zinc/86/94/21/387869421.db2.gz YWWHVMQYUKVUEJ-QMMMGPOBSA-N 2 2 242.725 2.177 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000442653807 387814371 /nfs/dbraw/zinc/81/43/71/387814371.db2.gz AIPYXPLHQPHAIH-SNVBAGLBSA-N 2 2 222.307 2.137 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000442653807 387814377 /nfs/dbraw/zinc/81/43/77/387814377.db2.gz AIPYXPLHQPHAIH-SNVBAGLBSA-N 2 2 222.307 2.137 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000564058620 387815460 /nfs/dbraw/zinc/81/54/60/387815460.db2.gz LGCAMLUSVYUPOM-FQUUOJAGSA-N 2 2 224.392 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000564058620 387815464 /nfs/dbraw/zinc/81/54/64/387815464.db2.gz LGCAMLUSVYUPOM-FQUUOJAGSA-N 2 2 224.392 2.352 20 0 BEADLP CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])[NH+](C)C ZINC000422965471 387816347 /nfs/dbraw/zinc/81/63/47/387816347.db2.gz OTPRGTVAFWKSEK-DYEKYZERSA-N 3 2 243.439 2.068 20 0 BEADLP CCC(CC)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])[NH+](C)C ZINC000422965473 387816529 /nfs/dbraw/zinc/81/65/29/387816529.db2.gz OTPRGTVAFWKSEK-SCRDCRAPSA-N 3 2 243.439 2.068 20 0 BEADLP Cc1csc(C2([NH2+]C[C@@H](C)[NH3+])CCCC2)n1 ZINC000442660723 387817865 /nfs/dbraw/zinc/81/78/65/387817865.db2.gz MMIRHOFXWCNEIH-SECBINFHSA-N 2 2 239.388 2.158 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)[C@H]1CCCC[NH2+]1 ZINC000423115462 387895322 /nfs/dbraw/zinc/89/53/22/387895322.db2.gz XYWNLBOEOFFCGH-MMWGEVLESA-N 2 2 232.318 2.150 20 0 BEADLP CC[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[C@@H]1CCC[NH2+]1 ZINC000423163713 387895711 /nfs/dbraw/zinc/89/57/11/387895711.db2.gz RNEYLNWTJYOVBN-MROQNXINSA-N 2 2 248.374 2.009 20 0 BEADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537317 387875709 /nfs/dbraw/zinc/87/57/09/387875709.db2.gz DYZJJXCCSXXMSW-HUBLWGQQSA-N 2 2 248.345 2.272 20 0 BEADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538469 387876227 /nfs/dbraw/zinc/87/62/27/387876227.db2.gz KSGJQSIKKHDVST-PEBLQZBPSA-N 2 2 242.382 2.491 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCC1 ZINC000643538891 387878180 /nfs/dbraw/zinc/87/81/80/387878180.db2.gz ZAOFJERWMHYDEK-RWMBFGLXSA-N 2 2 228.355 2.245 20 0 BEADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000643538646 387878756 /nfs/dbraw/zinc/87/87/56/387878756.db2.gz QRTILDNWKSVBAW-RWMBFGLXSA-N 2 2 240.366 2.389 20 0 BEADLP CC[C@H]([NH2+]CC[NH+](CC)CC)[C@H]1C[C@H]1C ZINC000322077151 387883428 /nfs/dbraw/zinc/88/34/28/387883428.db2.gz UCRVGIUTEWZWIP-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP C/C(Cl)=C/C[NH+]1CCC([NH+](C)C)CC1 ZINC000528351327 387906005 /nfs/dbraw/zinc/90/60/05/387906005.db2.gz OPRQNJNSMQEABQ-WMZJFQQLSA-N 2 2 216.756 2.155 20 0 BEADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000423136814 387913327 /nfs/dbraw/zinc/91/33/27/387913327.db2.gz ZMPGQYLZZBNQMD-WPRPVWTQSA-N 2 2 238.297 2.434 20 0 BEADLP Cn1c[nH+]cc1CC[NH+](CC1CC1)CC1CC1 ZINC000459377277 387933858 /nfs/dbraw/zinc/93/38/58/387933858.db2.gz LZPLMUXJYOUROA-UHFFFAOYSA-N 2 2 233.359 2.085 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1c[nH+]ccc1N ZINC000423147163 387924917 /nfs/dbraw/zinc/92/49/17/387924917.db2.gz RFNLEGDUJHOSRZ-XRNSZHNASA-N 2 2 223.295 2.035 20 0 BEADLP CC(C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156336116 387955717 /nfs/dbraw/zinc/95/57/17/387955717.db2.gz BBDJRFKDOFNACB-ZDUSSCGKSA-N 2 2 220.316 2.191 20 0 BEADLP CC(C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156336116 387955722 /nfs/dbraw/zinc/95/57/22/387955722.db2.gz BBDJRFKDOFNACB-ZDUSSCGKSA-N 2 2 220.316 2.191 20 0 BEADLP CC[C@@H]([NH2+]Cc1ccnc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000423160871 387941144 /nfs/dbraw/zinc/94/11/44/387941144.db2.gz RAEBUQLACACXAX-KGLIPLIRSA-N 2 2 233.359 2.010 20 0 BEADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@H]1C[C@@H]1C ZINC000321079969 387943840 /nfs/dbraw/zinc/94/38/40/387943840.db2.gz LOAMOXLAUXNXMX-RNJOBUHISA-N 2 2 221.348 2.296 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226508686 387948257 /nfs/dbraw/zinc/94/82/57/387948257.db2.gz ADQDGXQNPOTANS-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226508686 387948262 /nfs/dbraw/zinc/94/82/62/387948262.db2.gz ADQDGXQNPOTANS-AWEZNQCLSA-N 2 2 236.334 2.318 20 0 BEADLP CSCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245483668 387951272 /nfs/dbraw/zinc/95/12/72/387951272.db2.gz FXRMBKKPUBDNKW-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CSCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245483668 387951276 /nfs/dbraw/zinc/95/12/76/387951276.db2.gz FXRMBKKPUBDNKW-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CSCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245483668 387951282 /nfs/dbraw/zinc/95/12/82/387951282.db2.gz FXRMBKKPUBDNKW-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP CSCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245483668 387951287 /nfs/dbraw/zinc/95/12/87/387951287.db2.gz FXRMBKKPUBDNKW-OLZOCXBDSA-N 2 2 242.432 2.297 20 0 BEADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423173034 387960775 /nfs/dbraw/zinc/96/07/75/387960775.db2.gz WRPYSHABGRTBPP-DZGBDDFRSA-N 2 2 248.345 2.269 20 0 BEADLP CC[C@@H]([NH2+]CC[NH3+])c1cccc(Cl)c1F ZINC000423177054 387961351 /nfs/dbraw/zinc/96/13/51/387961351.db2.gz DOXSXDJAUBATKR-SNVBAGLBSA-N 2 2 230.714 2.479 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1F)[C@@H]1CCC[NH2+]1 ZINC000423175270 387962936 /nfs/dbraw/zinc/96/29/36/387962936.db2.gz DPXJDTBJLBEQMC-XQHKEYJVSA-N 2 2 228.355 2.387 20 0 BEADLP c1cn(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000245597827 387963875 /nfs/dbraw/zinc/96/38/75/387963875.db2.gz HXBQSRJVVAFHKJ-CHWSQXEVSA-N 2 2 219.332 2.148 20 0 BEADLP c1cn(CC[N@H+]2CCC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000245597827 387963879 /nfs/dbraw/zinc/96/38/79/387963879.db2.gz HXBQSRJVVAFHKJ-CHWSQXEVSA-N 2 2 219.332 2.148 20 0 BEADLP CC(C)CC[C@@H]([NH2+]CC[NH3+])c1ccoc1 ZINC000423179088 387966690 /nfs/dbraw/zinc/96/66/90/387966690.db2.gz GWUQDJAUUATSMX-GFCCVEGCSA-N 2 2 210.321 2.305 20 0 BEADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423186496 387970986 /nfs/dbraw/zinc/97/09/86/387970986.db2.gz KBFGXGKOEAQEKU-YUELXQCFSA-N 2 2 248.370 2.104 20 0 BEADLP CC(C)c1nc([C@H](C)[NH2+]CCC[NH3+])cs1 ZINC000423195492 387979014 /nfs/dbraw/zinc/97/90/14/387979014.db2.gz SROCBNINLIGXEH-VIFPVBQESA-N 2 2 227.377 2.266 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453081201 387979697 /nfs/dbraw/zinc/97/96/97/387979697.db2.gz PPDRRNNRDCXQSU-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453081201 387979700 /nfs/dbraw/zinc/97/97/00/387979700.db2.gz PPDRRNNRDCXQSU-CQSZACIVSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423197463 387981380 /nfs/dbraw/zinc/98/13/80/387981380.db2.gz ZNPGFDHRNHFRFM-DGFSRKRXSA-N 2 2 248.345 2.401 20 0 BEADLP c1cn(CC[NH2+][C@@H](c2cccnc2)C2CC2)c[nH+]1 ZINC000445821143 387972438 /nfs/dbraw/zinc/97/24/38/387972438.db2.gz VXVJNDYZZGJCSV-CQSZACIVSA-N 2 2 242.326 2.019 20 0 BEADLP c1cn(CC[NH2+][C@@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000453056507 387975010 /nfs/dbraw/zinc/97/50/10/387975010.db2.gz LHZCJYUKIYVMID-CQSZACIVSA-N 2 2 233.359 2.442 20 0 BEADLP Fc1cncc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000423192981 387977606 /nfs/dbraw/zinc/97/76/06/387977606.db2.gz QLPQPKJXRSWUIR-KGLIPLIRSA-N 2 2 249.333 2.013 20 0 BEADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)[NH+](C)C ZINC000453115334 387988071 /nfs/dbraw/zinc/98/80/71/387988071.db2.gz XEVKYYAIAPOBIJ-MFKMUULPSA-N 2 2 210.365 2.105 20 0 BEADLP Fc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423204855 387991850 /nfs/dbraw/zinc/99/18/50/387991850.db2.gz OUAASNZSRWGACH-UONOGXRCSA-N 2 2 234.318 2.228 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)C(C)C ZINC000252408409 135088104 /nfs/dbraw/zinc/08/81/04/135088104.db2.gz IUDVKICZHWJTJD-NEPJUHHUSA-N 2 2 200.370 2.336 20 0 BEADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424370991 387997744 /nfs/dbraw/zinc/99/77/44/387997744.db2.gz FLTSVVOIFBSSIK-YNEHKIRRSA-N 2 2 233.359 2.311 20 0 BEADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000420399454 387998554 /nfs/dbraw/zinc/99/85/54/387998554.db2.gz HVWGGJHURHIQOG-QPUJVOFHSA-N 2 2 228.286 2.353 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(F)cc1 ZINC000423222338 388001470 /nfs/dbraw/zinc/00/14/70/388001470.db2.gz APMCOGAISZFFMI-LBPRGKRZSA-N 2 2 210.296 2.086 20 0 BEADLP c1cc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1[NH2+]CC2 ZINC000423221561 388001655 /nfs/dbraw/zinc/00/16/55/388001655.db2.gz WYZMQEUTEWTPSM-PBWFPOADSA-N 2 2 243.354 2.350 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423224604 388005373 /nfs/dbraw/zinc/00/53/73/388005373.db2.gz JMWVWHHYNDNORO-MRVPVSSYSA-N 2 2 230.714 2.349 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423225598 388006879 /nfs/dbraw/zinc/00/68/79/388006879.db2.gz NKWXKZNAVMLWNX-LBPRGKRZSA-N 2 2 224.735 2.136 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000423225764 388007816 /nfs/dbraw/zinc/00/78/16/388007816.db2.gz OCNPZCKPUZVKLH-CQSZACIVSA-N 2 2 236.359 2.201 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000423225186 388008031 /nfs/dbraw/zinc/00/80/31/388008031.db2.gz LQNFRIFEKISATR-CQSZACIVSA-N 2 2 248.370 2.326 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000423225158 388008048 /nfs/dbraw/zinc/00/80/48/388008048.db2.gz LNPDNJPYMQVUPM-BXUZGUMPSA-N 2 2 218.344 2.434 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000423225616 388008219 /nfs/dbraw/zinc/00/82/19/388008219.db2.gz NMLOFOKGTLBALZ-VIFPVBQESA-N 2 2 244.285 2.158 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000423226551 388009769 /nfs/dbraw/zinc/00/97/69/388009769.db2.gz RDSZNVGDVCKMTP-LBPRGKRZSA-N 2 2 206.333 2.173 20 0 BEADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000423226590 388010076 /nfs/dbraw/zinc/01/00/76/388010076.db2.gz RJLCLNYEWRFOIP-VIFPVBQESA-N 2 2 212.362 2.235 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000156708778 388025709 /nfs/dbraw/zinc/02/57/09/388025709.db2.gz IVQJMUBHCZGMHG-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000156708778 388025713 /nfs/dbraw/zinc/02/57/13/388025713.db2.gz IVQJMUBHCZGMHG-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423243444 388025760 /nfs/dbraw/zinc/02/57/60/388025760.db2.gz WMFRVPYEKPSMKM-WFASDCNBSA-N 2 2 246.354 2.024 20 0 BEADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(C)cc1 ZINC000423227625 388011749 /nfs/dbraw/zinc/01/17/49/388011749.db2.gz WLCLBOVZYWEXEH-ZDUSSCGKSA-N 2 2 206.333 2.255 20 0 BEADLP C[NH2+]CC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000423228220 388012716 /nfs/dbraw/zinc/01/27/16/388012716.db2.gz YVBMSEXIDWXNBW-CQSZACIVSA-N 2 2 218.344 2.181 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423230365 388015040 /nfs/dbraw/zinc/01/50/40/388015040.db2.gz DKGGUQSGVOJUHU-GFCCVEGCSA-N 2 2 243.354 2.495 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)COC2 ZINC000423230460 388015098 /nfs/dbraw/zinc/01/50/98/388015098.db2.gz DQJCZOGMLVCXIJ-NHYWBVRUSA-N 2 2 246.354 2.119 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423230366 388015310 /nfs/dbraw/zinc/01/53/10/388015310.db2.gz DKGGUQSGVOJUHU-LBPRGKRZSA-N 2 2 243.354 2.495 20 0 BEADLP CC(C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccnc1 ZINC000423231916 388017339 /nfs/dbraw/zinc/01/73/39/388017339.db2.gz HLBDUQHYNKEVMX-ZIAGYGMSSA-N 2 2 233.359 2.120 20 0 BEADLP CC[NH2+]CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000423235425 388018645 /nfs/dbraw/zinc/01/86/45/388018645.db2.gz AWVCGEUABSMGJE-AWEZNQCLSA-N 2 2 233.359 2.133 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000423235786 388021640 /nfs/dbraw/zinc/02/16/40/388021640.db2.gz BGABMXBSWZTZRI-KBPBESRZSA-N 2 2 248.370 2.042 20 0 BEADLP C[NH2+]CC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000423235788 388021660 /nfs/dbraw/zinc/02/16/60/388021660.db2.gz BGABMXBSWZTZRI-UONOGXRCSA-N 2 2 248.370 2.042 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000423238140 388022684 /nfs/dbraw/zinc/02/26/84/388022684.db2.gz FGZXZUJNAWTEEC-LLVKDONJSA-N 2 2 238.379 2.033 20 0 BEADLP C[NH2+]CC[NH2+][C@H](C)c1ccccc1SC ZINC000423242939 388026182 /nfs/dbraw/zinc/02/61/82/388026182.db2.gz JRMMMUIIRZVWOI-SNVBAGLBSA-N 2 2 224.373 2.279 20 0 BEADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1(C)CC1 ZINC000423252287 388032986 /nfs/dbraw/zinc/03/29/86/388032986.db2.gz XIWGCYVXVZIAJJ-DGCLKSJQSA-N 2 2 218.344 2.465 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423264976 388044531 /nfs/dbraw/zinc/04/45/31/388044531.db2.gz QJVWJBXPNDJLRI-JSGCOSHPSA-N 2 2 235.375 2.414 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccnc1 ZINC000423261094 388040229 /nfs/dbraw/zinc/04/02/29/388040229.db2.gz IZGKJAZNEDIHPM-YPMHNXCESA-N 2 2 221.348 2.106 20 0 BEADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1nccs1 ZINC000423261136 388040763 /nfs/dbraw/zinc/04/07/63/388040763.db2.gz JDJGJNHBHUIGCB-ZJUUUORDSA-N 2 2 227.377 2.167 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1nccs1 ZINC000423261133 388041012 /nfs/dbraw/zinc/04/10/12/388041012.db2.gz JDJGJNHBHUIGCB-NXEZZACHSA-N 2 2 227.377 2.167 20 0 BEADLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)o1 ZINC000423261625 388041172 /nfs/dbraw/zinc/04/11/72/388041172.db2.gz KIOORSNYZXKMTR-QWRGUYRKSA-N 2 2 210.321 2.222 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000423247389 388030033 /nfs/dbraw/zinc/03/00/33/388030033.db2.gz PAYOALCIYIQOOD-CQSZACIVSA-N 2 2 236.334 2.476 20 0 BEADLP Cc1cncc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423264977 388044735 /nfs/dbraw/zinc/04/47/35/388044735.db2.gz QJVWJBXPNDJLRI-OCCSQVGLSA-N 2 2 235.375 2.414 20 0 BEADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000423249526 388031958 /nfs/dbraw/zinc/03/19/58/388031958.db2.gz SLXLAVSRMFLCBM-CYBMUJFWSA-N 2 2 222.307 2.012 20 0 BEADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)cn1 ZINC000423271399 388050975 /nfs/dbraw/zinc/05/09/75/388050975.db2.gz HIVRMUAUEAWXOE-UFBFGSQYSA-N 2 2 239.750 2.123 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271426 388051950 /nfs/dbraw/zinc/05/19/50/388051950.db2.gz HKRXYYULLFYCEU-GWCFXTLKSA-N 2 2 234.343 2.083 20 0 BEADLP COc1ccsc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271923 388052056 /nfs/dbraw/zinc/05/20/56/388052056.db2.gz HRHBVLJECYABOS-WCBMZHEXSA-N 2 2 240.372 2.145 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)cc(F)c1 ZINC000423272783 388052426 /nfs/dbraw/zinc/05/24/26/388052426.db2.gz IOHYFPOVLZVZHA-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000261527609 135152014 /nfs/dbraw/zinc/15/20/14/135152014.db2.gz DKCWAALLEKEUSV-BQBZGAKWSA-N 2 2 218.753 2.227 20 0 BEADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(F)ccc1F ZINC000423280240 388061533 /nfs/dbraw/zinc/06/15/33/388061533.db2.gz SNXKHGGXOPKAMJ-ISVAXAHUSA-N 2 2 240.297 2.353 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423284171 388067121 /nfs/dbraw/zinc/06/71/21/388067121.db2.gz WLOHJEQKSBPBOH-BXUZGUMPSA-N 2 2 248.370 2.392 20 0 BEADLP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(F)cn1 ZINC000423285645 388069716 /nfs/dbraw/zinc/06/97/16/388069716.db2.gz ZMQJLVGNYLTCQV-RYUDHWBXSA-N 2 2 239.338 2.245 20 0 BEADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C ZINC000423285096 388069924 /nfs/dbraw/zinc/06/99/24/388069924.db2.gz YVLQUMDMNUJNDZ-NXEZZACHSA-N 2 2 242.388 2.391 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453395445 388070664 /nfs/dbraw/zinc/07/06/64/388070664.db2.gz JTOUNBNZALFPDB-LBPRGKRZSA-N 2 2 242.407 2.264 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453395445 388070668 /nfs/dbraw/zinc/07/06/68/388070668.db2.gz JTOUNBNZALFPDB-LBPRGKRZSA-N 2 2 242.407 2.264 20 0 BEADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423288242 388072906 /nfs/dbraw/zinc/07/29/06/388072906.db2.gz RECDVMNVEGUKLU-STQMWFEESA-N 3 2 241.423 2.014 20 0 BEADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423288239 388072926 /nfs/dbraw/zinc/07/29/26/388072926.db2.gz RECDVMNVEGUKLU-CHWSQXEVSA-N 3 2 241.423 2.014 20 0 BEADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423288241 388073646 /nfs/dbraw/zinc/07/36/46/388073646.db2.gz RECDVMNVEGUKLU-QWHCGFSZSA-N 3 2 241.423 2.014 20 0 BEADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000453411189 388077175 /nfs/dbraw/zinc/07/71/75/388077175.db2.gz XNAWHXPQFYWWLP-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000453411189 388077179 /nfs/dbraw/zinc/07/71/79/388077179.db2.gz XNAWHXPQFYWWLP-GFCCVEGCSA-N 2 2 240.391 2.018 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccnc1 ZINC000423295840 388078905 /nfs/dbraw/zinc/07/89/05/388078905.db2.gz FVTMJIMLIFLYCA-DGCLKSJQSA-N 2 2 221.348 2.250 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000084946417 388081254 /nfs/dbraw/zinc/08/12/54/388081254.db2.gz YRKBCTLTJINTSN-SKDRFNHKSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CC[C@@H]1[NH3+] ZINC000084946417 388081256 /nfs/dbraw/zinc/08/12/56/388081256.db2.gz YRKBCTLTJINTSN-SKDRFNHKSA-N 2 2 240.297 2.134 20 0 BEADLP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1(C)C ZINC000085380062 388086547 /nfs/dbraw/zinc/08/65/47/388086547.db2.gz CODWICHRIMRKDL-VXGBXAGGSA-N 2 2 242.407 2.120 20 0 BEADLP CCO[C@H]1C[C@@H]([NH2+]CC[NH+](CC)CC)C1(C)C ZINC000085379336 388086616 /nfs/dbraw/zinc/08/66/16/388086616.db2.gz ZOBVDCQSAVHTHK-OLZOCXBDSA-N 2 2 242.407 2.121 20 0 BEADLP CC1(C)CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000086844385 388109456 /nfs/dbraw/zinc/10/94/56/388109456.db2.gz SRGIABKMPLGKMO-GFCCVEGCSA-N 2 2 221.348 2.442 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000449268957 388164355 /nfs/dbraw/zinc/16/43/55/388164355.db2.gz KPQQPPCHERMBRF-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449322363 388172503 /nfs/dbraw/zinc/17/25/03/388172503.db2.gz XFHNTRXAPBJWRK-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449322363 388172504 /nfs/dbraw/zinc/17/25/04/388172504.db2.gz XFHNTRXAPBJWRK-RFQIPJPRSA-N 2 2 240.391 2.016 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000449351294 388179095 /nfs/dbraw/zinc/17/90/95/388179095.db2.gz OCVMXBAGNKHPII-WDEREUQCSA-N 2 2 234.334 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCC(C)(F)F)C1 ZINC000449351294 388179096 /nfs/dbraw/zinc/17/90/96/388179096.db2.gz OCVMXBAGNKHPII-WDEREUQCSA-N 2 2 234.334 2.352 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000488514609 388183673 /nfs/dbraw/zinc/18/36/73/388183673.db2.gz NBKYMIHKYHKEFX-MGPQQGTHSA-N 2 2 247.386 2.331 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000488514609 388183674 /nfs/dbraw/zinc/18/36/74/388183674.db2.gz NBKYMIHKYHKEFX-MGPQQGTHSA-N 2 2 247.386 2.331 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)CCC(C)(C)C ZINC000646028958 388128595 /nfs/dbraw/zinc/12/85/95/388128595.db2.gz QQVJJLKAAXYWGQ-UHFFFAOYSA-N 2 2 223.364 2.331 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)CCC(C)(C)C ZINC000646028958 388128598 /nfs/dbraw/zinc/12/85/98/388128598.db2.gz QQVJJLKAAXYWGQ-UHFFFAOYSA-N 2 2 223.364 2.331 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449061510 388137838 /nfs/dbraw/zinc/13/78/38/388137838.db2.gz VTQHJOAKRCYMIK-OCCSQVGLSA-N 2 2 236.359 2.285 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccoc1 ZINC000449061510 388137840 /nfs/dbraw/zinc/13/78/40/388137840.db2.gz VTQHJOAKRCYMIK-OCCSQVGLSA-N 2 2 236.359 2.285 20 0 BEADLP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000449103170 388142842 /nfs/dbraw/zinc/14/28/42/388142842.db2.gz OXZLRGTUHWLSNZ-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C)ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000449103170 388142844 /nfs/dbraw/zinc/14/28/44/388142844.db2.gz OXZLRGTUHWLSNZ-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394296 388193649 /nfs/dbraw/zinc/19/36/49/388193649.db2.gz NOTJEGDOJVPLMP-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394296 388193650 /nfs/dbraw/zinc/19/36/50/388193650.db2.gz NOTJEGDOJVPLMP-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398569 388194416 /nfs/dbraw/zinc/19/44/16/388194416.db2.gz VPDOMVXASDOHRR-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398569 388194418 /nfs/dbraw/zinc/19/44/18/388194418.db2.gz VPDOMVXASDOHRR-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC1=CCOCC1 ZINC000449400161 388194555 /nfs/dbraw/zinc/19/45/55/388194555.db2.gz ADKZQKGQFPOJKC-UHFFFAOYSA-N 2 2 246.354 2.259 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449552228 388230859 /nfs/dbraw/zinc/23/08/59/388230859.db2.gz IQGPXFMBFUTMNX-JURCDPSOSA-N 2 2 236.403 2.351 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449552228 388230866 /nfs/dbraw/zinc/23/08/66/388230866.db2.gz IQGPXFMBFUTMNX-JURCDPSOSA-N 2 2 236.403 2.351 20 0 BEADLP CC[C@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449558418 388231705 /nfs/dbraw/zinc/23/17/05/388231705.db2.gz XYTVCYDNJUOPMY-AVGNSLFASA-N 2 2 212.381 2.495 20 0 BEADLP CCC1(C[NH2+]CCCc2c[nH+]ccc2C)COC1 ZINC000449601019 388239854 /nfs/dbraw/zinc/23/98/54/388239854.db2.gz QIYVEUPMKXCVGO-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1COCC1(C)C ZINC000449622930 388244223 /nfs/dbraw/zinc/24/42/23/388244223.db2.gz GGXRIKOHDRNNKQ-AWEZNQCLSA-N 2 2 248.370 2.337 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000093061895 256616625 /nfs/dbraw/zinc/61/66/25/256616625.db2.gz UVOCNJMCZWVSMX-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000093061895 256616628 /nfs/dbraw/zinc/61/66/28/256616628.db2.gz UVOCNJMCZWVSMX-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000093061885 256616781 /nfs/dbraw/zinc/61/67/81/256616781.db2.gz ICRHUBBZTAKLBR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000093061885 256616783 /nfs/dbraw/zinc/61/67/83/256616783.db2.gz ICRHUBBZTAKLBR-OLZOCXBDSA-N 2 2 212.381 2.497 20 0 BEADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000234846978 388360551 /nfs/dbraw/zinc/36/05/51/388360551.db2.gz GSSXOGCWVQEMPE-GHMZBOCLSA-N 2 2 222.332 2.001 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000235101242 388365391 /nfs/dbraw/zinc/36/53/91/388365391.db2.gz ZWGNDGJKPYLBRX-KWQFWETISA-N 2 2 240.347 2.299 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000235145212 388365689 /nfs/dbraw/zinc/36/56/89/388365689.db2.gz NAJHOUWOCXZKOB-BQBZGAKWSA-N 2 2 218.753 2.399 20 0 BEADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCSc2ccccc21 ZINC000235148988 388366201 /nfs/dbraw/zinc/36/62/01/388366201.db2.gz OJXIKAGQLQROLJ-GXSJLCMTSA-N 2 2 222.357 2.160 20 0 BEADLP Cc1ccccc1C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000524718495 388375890 /nfs/dbraw/zinc/37/58/90/388375890.db2.gz VSLRZHMSQKXAJX-CYBMUJFWSA-N 2 2 232.371 2.426 20 0 BEADLP Cc1ccccc1C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000524718495 388375893 /nfs/dbraw/zinc/37/58/93/388375893.db2.gz VSLRZHMSQKXAJX-CYBMUJFWSA-N 2 2 232.371 2.426 20 0 BEADLP Cc1c[nH+]ccc1CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000572872620 388383243 /nfs/dbraw/zinc/38/32/43/388383243.db2.gz GNTIUIQIRGTHIG-CQSZACIVSA-N 2 2 248.370 2.291 20 0 BEADLP Cc1c[nH+]ccc1CC[N@H+](C)C[C@H]1CCCOC1 ZINC000572872620 388383244 /nfs/dbraw/zinc/38/32/44/388383244.db2.gz GNTIUIQIRGTHIG-CQSZACIVSA-N 2 2 248.370 2.291 20 0 BEADLP CC[N@H+](CC[NH3+])Cc1cc(C)sc1C ZINC000300853151 388398823 /nfs/dbraw/zinc/39/88/23/388398823.db2.gz TVFWIJCNNYNPEM-UHFFFAOYSA-N 2 2 212.362 2.146 20 0 BEADLP CC[N@@H+](CC[NH3+])Cc1cc(C)sc1C ZINC000300853151 388398824 /nfs/dbraw/zinc/39/88/24/388398824.db2.gz TVFWIJCNNYNPEM-UHFFFAOYSA-N 2 2 212.362 2.146 20 0 BEADLP FC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000525977246 388439760 /nfs/dbraw/zinc/43/97/60/388439760.db2.gz QVYRVMZUANLLFV-SNVBAGLBSA-N 2 2 223.295 2.091 20 0 BEADLP FC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000525977246 388439763 /nfs/dbraw/zinc/43/97/63/388439763.db2.gz QVYRVMZUANLLFV-SNVBAGLBSA-N 2 2 223.295 2.091 20 0 BEADLP FC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000525977567 388440416 /nfs/dbraw/zinc/44/04/16/388440416.db2.gz XRFNWEIIYKFCNS-UHFFFAOYSA-N 2 2 223.295 2.022 20 0 BEADLP CCC[C@@H](C)C[NH2+]C(C)(C)C[NH+](C)C ZINC000308609867 388444928 /nfs/dbraw/zinc/44/49/28/388444928.db2.gz SZAKCGUIFFEWEF-LLVKDONJSA-N 2 2 200.370 2.352 20 0 BEADLP CCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC1 ZINC000322719545 388444974 /nfs/dbraw/zinc/44/49/74/388444974.db2.gz SPOKDDUSMPTICC-GFCCVEGCSA-N 2 2 207.321 2.468 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c1 ZINC000335308623 388449547 /nfs/dbraw/zinc/44/95/47/388449547.db2.gz NLNORRAFTOMYMI-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c1 ZINC000335308623 388449549 /nfs/dbraw/zinc/44/95/49/388449549.db2.gz NLNORRAFTOMYMI-HIFRSBDPSA-N 2 2 230.355 2.097 20 0 BEADLP C[NH+](C)C1CC[NH+](CCOc2ccccc2)CC1 ZINC000193813788 388456572 /nfs/dbraw/zinc/45/65/72/388456572.db2.gz UVGGSWFRBGSSPR-UHFFFAOYSA-N 2 2 248.370 2.091 20 0 BEADLP C[C@@H]1Cc2[nH+]cn(Cc3c[nH+]cn3C)c2C[C@H]1C ZINC000295082459 388407638 /nfs/dbraw/zinc/40/76/38/388407638.db2.gz DMTKQODXQGAPLA-GHMZBOCLSA-N 2 2 244.342 2.036 20 0 BEADLP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](C)[NH3+])s1 ZINC000261538626 135176387 /nfs/dbraw/zinc/17/63/87/135176387.db2.gz YTHFVEIEZPMRND-IONNQARKSA-N 2 2 227.377 2.100 20 0 BEADLP C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000307728834 388425443 /nfs/dbraw/zinc/42/54/43/388425443.db2.gz GOTKHISGWFBZIV-GXTWGEPZSA-N 2 2 218.344 2.307 20 0 BEADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)C1CCC1 ZINC000322300835 388430385 /nfs/dbraw/zinc/43/03/85/388430385.db2.gz ACCORKMRDWGABH-ZDUSSCGKSA-N 2 2 210.365 2.251 20 0 BEADLP CCC[C@H]([NH2+]CC[N@H+](C)CC)C1CCC1 ZINC000322460273 388435506 /nfs/dbraw/zinc/43/55/06/388435506.db2.gz LBUCBXZCYRXIAW-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@H]([NH2+]CC[N@@H+](C)CC)C1CCC1 ZINC000322460273 388435508 /nfs/dbraw/zinc/43/55/08/388435508.db2.gz LBUCBXZCYRXIAW-ZDUSSCGKSA-N 2 2 212.381 2.497 20 0 BEADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCC1 ZINC000322445156 388435524 /nfs/dbraw/zinc/43/55/24/388435524.db2.gz GMUKPBCFJMKXSQ-DGCLKSJQSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[NH+]1CCC([N@H+](C)CC2(F)CC2)CC1 ZINC000525976807 388438714 /nfs/dbraw/zinc/43/87/14/388438714.db2.gz MDEJTTUJBMWODC-UHFFFAOYSA-N 2 2 228.355 2.293 20 0 BEADLP CC(C)[NH+]1CCC([N@@H+](C)CC2(F)CC2)CC1 ZINC000525976807 388438717 /nfs/dbraw/zinc/43/87/17/388438717.db2.gz MDEJTTUJBMWODC-UHFFFAOYSA-N 2 2 228.355 2.293 20 0 BEADLP CCc1cccc(C[NH2+]C2CC([NH+](C)C)C2)c1 ZINC000520838122 388537907 /nfs/dbraw/zinc/53/79/07/388537907.db2.gz QLCVUTJWFYERFS-UHFFFAOYSA-N 2 2 232.371 2.431 20 0 BEADLP CC[C@H]([NH2+]CC[N@H+](C)CC)[C@H]1CC1(C)C ZINC000397658463 388487081 /nfs/dbraw/zinc/48/70/81/388487081.db2.gz CEGSBHZNXBJRIE-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP CC[C@H]([NH2+]CC[N@@H+](C)CC)[C@H]1CC1(C)C ZINC000397658463 388487083 /nfs/dbraw/zinc/48/70/83/388487083.db2.gz CEGSBHZNXBJRIE-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397800550 388500099 /nfs/dbraw/zinc/50/00/99/388500099.db2.gz VKCKCFGJBWKHII-NEPJUHHUSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397800554 388500128 /nfs/dbraw/zinc/50/01/28/388500128.db2.gz VKCKCFGJBWKHII-RYUDHWBXSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[C@H]([NH2+]CC[NH+](C)C)[C@H]1CC1(C)C ZINC000397853323 388506636 /nfs/dbraw/zinc/50/66/36/388506636.db2.gz SMYDREKUJYQFCF-NEPJUHHUSA-N 2 2 212.381 2.352 20 0 BEADLP C[NH+](C)C1(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000397864999 388507465 /nfs/dbraw/zinc/50/74/65/388507465.db2.gz QCIFFKSZCDCNSF-UHFFFAOYSA-N 2 2 243.354 2.352 20 0 BEADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000397888977 388509048 /nfs/dbraw/zinc/50/90/48/388509048.db2.gz NTYHXAYKROWDNF-GHMZBOCLSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)CC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397982019 388513406 /nfs/dbraw/zinc/51/34/06/388513406.db2.gz RXCNRGDWMKGBQY-GFCCVEGCSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc2ccccc2o1 ZINC000347142663 388521661 /nfs/dbraw/zinc/52/16/61/388521661.db2.gz XAQGLFBLAMWXFX-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc2ccccc2o1 ZINC000347142663 388521664 /nfs/dbraw/zinc/52/16/64/388521664.db2.gz XAQGLFBLAMWXFX-SNVBAGLBSA-N 2 2 218.300 2.212 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(F)c2cccnc12 ZINC000346994049 388521683 /nfs/dbraw/zinc/52/16/83/388521683.db2.gz BCTSYNKLTYOSHN-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000346994049 388521685 /nfs/dbraw/zinc/52/16/85/388521685.db2.gz BCTSYNKLTYOSHN-JTQLQIEISA-N 2 2 247.317 2.153 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc2ccccc2o1 ZINC000347142662 388522171 /nfs/dbraw/zinc/52/21/71/388522171.db2.gz XAQGLFBLAMWXFX-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc2ccccc2o1 ZINC000347142662 388522174 /nfs/dbraw/zinc/52/21/74/388522174.db2.gz XAQGLFBLAMWXFX-JTQLQIEISA-N 2 2 218.300 2.212 20 0 BEADLP C/C(Cl)=C/C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528430862 388523985 /nfs/dbraw/zinc/52/39/85/388523985.db2.gz XCVAZICBBQICNK-CGXZDELUSA-N 2 2 239.750 2.352 20 0 BEADLP C/C(Cl)=C/C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528430862 388523987 /nfs/dbraw/zinc/52/39/87/388523987.db2.gz XCVAZICBBQICNK-CGXZDELUSA-N 2 2 239.750 2.352 20 0 BEADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245783349 388605287 /nfs/dbraw/zinc/60/52/87/388605287.db2.gz VMXUQCHFZZOJAC-OLZOCXBDSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245783349 388605288 /nfs/dbraw/zinc/60/52/88/388605288.db2.gz VMXUQCHFZZOJAC-OLZOCXBDSA-N 2 2 221.348 2.251 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884834 388568320 /nfs/dbraw/zinc/56/83/20/388568320.db2.gz IWAJLQOTMUQCDD-VEESAYDSSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884834 388568323 /nfs/dbraw/zinc/56/83/23/388568323.db2.gz IWAJLQOTMUQCDD-VEESAYDSSA-N 2 2 234.387 2.247 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246319211 388630371 /nfs/dbraw/zinc/63/03/71/388630371.db2.gz CYEFVTPLZATWEA-DGCLKSJQSA-N 2 2 219.332 2.185 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246319211 388630374 /nfs/dbraw/zinc/63/03/74/388630374.db2.gz CYEFVTPLZATWEA-DGCLKSJQSA-N 2 2 219.332 2.185 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ncccc1Cl ZINC000530223858 388634725 /nfs/dbraw/zinc/63/47/25/388634725.db2.gz PXHCVOYFUJGIMV-UWVGGRQHSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ncccc1Cl ZINC000530223858 388634727 /nfs/dbraw/zinc/63/47/27/388634727.db2.gz PXHCVOYFUJGIMV-UWVGGRQHSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccoc1 ZINC000530226316 388635299 /nfs/dbraw/zinc/63/52/99/388635299.db2.gz ZRQDZYMEQXUDKY-CMPLNLGQSA-N 2 2 220.316 2.215 20 0 BEADLP COc1cccc([C@H]2C[N@H+](CC[NH3+])CC2(C)C)c1 ZINC000530232316 388636743 /nfs/dbraw/zinc/63/67/43/388636743.db2.gz XXYDZZLWWJKYDD-CQSZACIVSA-N 2 2 248.370 2.079 20 0 BEADLP COc1cccc([C@H]2C[N@@H+](CC[NH3+])CC2(C)C)c1 ZINC000530232316 388636744 /nfs/dbraw/zinc/63/67/44/388636744.db2.gz XXYDZZLWWJKYDD-CQSZACIVSA-N 2 2 248.370 2.079 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000247047100 388657935 /nfs/dbraw/zinc/65/79/35/388657935.db2.gz NBODHLMVSXIHSO-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000247047100 388657938 /nfs/dbraw/zinc/65/79/38/388657938.db2.gz NBODHLMVSXIHSO-NEPJUHHUSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000251657439 388750575 /nfs/dbraw/zinc/75/05/75/388750575.db2.gz KLHGQSTUQJYHDF-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000251657439 388750578 /nfs/dbraw/zinc/75/05/78/388750578.db2.gz KLHGQSTUQJYHDF-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2ccco2)C[N@@H+]1C1CC1 ZINC000128367877 388751436 /nfs/dbraw/zinc/75/14/36/388751436.db2.gz ZAPIICCKTYAGEU-RYUDHWBXSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CCc2ccco2)C[N@H+]1C1CC1 ZINC000128367877 388751440 /nfs/dbraw/zinc/75/14/40/388751440.db2.gz ZAPIICCKTYAGEU-RYUDHWBXSA-N 2 2 234.343 2.037 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227605293 388753801 /nfs/dbraw/zinc/75/38/01/388753801.db2.gz VESDSDPLAUHMIS-IACUBPJLSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000226314373 388714568 /nfs/dbraw/zinc/71/45/68/388714568.db2.gz LEHTUHABDJHUIY-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000226314373 388714571 /nfs/dbraw/zinc/71/45/71/388714571.db2.gz LEHTUHABDJHUIY-JHJVBQTASA-N 2 2 224.392 2.495 20 0 BEADLP COc1ccc[nH+]c1NCC(C)(C)C[NH+](C)C ZINC000127725698 388730451 /nfs/dbraw/zinc/73/04/51/388730451.db2.gz FXOVGQBIUOMFGM-UHFFFAOYSA-N 2 2 237.347 2.090 20 0 BEADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000128498622 388764756 /nfs/dbraw/zinc/76/47/56/388764756.db2.gz LIQNXVXFLVSASL-JTQLQIEISA-N 2 2 215.300 2.222 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@H]1C)C1CC1 ZINC000252755542 388781671 /nfs/dbraw/zinc/78/16/71/388781671.db2.gz ZTGLSOQGNHHCGA-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H]1C)C1CC1 ZINC000252755542 388781674 /nfs/dbraw/zinc/78/16/74/388781674.db2.gz ZTGLSOQGNHHCGA-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP COCCCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252848488 388787791 /nfs/dbraw/zinc/78/77/91/388787791.db2.gz HWGKRXSSTSHQMI-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP COCCCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252848488 388787797 /nfs/dbraw/zinc/78/77/97/388787797.db2.gz HWGKRXSSTSHQMI-KGLIPLIRSA-N 2 2 240.391 2.020 20 0 BEADLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1cccc(O)c1 ZINC000230972120 388832800 /nfs/dbraw/zinc/83/28/00/388832800.db2.gz SIWCGUOJFVJDBW-LLVKDONJSA-N 2 2 236.359 2.431 20 0 BEADLP CCc1ccc(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000554875793 388834483 /nfs/dbraw/zinc/83/44/83/388834483.db2.gz RMCNWUNTYXZOAE-UHFFFAOYSA-N 2 2 235.375 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000554875793 388834486 /nfs/dbraw/zinc/83/44/86/388834486.db2.gz RMCNWUNTYXZOAE-UHFFFAOYSA-N 2 2 235.375 2.028 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000129884885 388874378 /nfs/dbraw/zinc/87/43/78/388874378.db2.gz YVWFDLOONUCOHH-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C)C[N@H+]1C1CC1 ZINC000129884885 388874380 /nfs/dbraw/zinc/87/43/80/388874380.db2.gz YVWFDLOONUCOHH-MNOVXSKESA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@@H+]1C1CC1 ZINC000129885520 388874419 /nfs/dbraw/zinc/87/44/19/388874419.db2.gz YVWFDLOONUCOHH-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C)C[N@H+]1C1CC1 ZINC000129885520 388874423 /nfs/dbraw/zinc/87/44/23/388874423.db2.gz YVWFDLOONUCOHH-WDEREUQCSA-N 2 2 210.365 2.247 20 0 BEADLP CCCc1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000565538483 388953155 /nfs/dbraw/zinc/95/31/55/388953155.db2.gz FKXBEGDZOHWPQV-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP CCCc1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000565538483 388953158 /nfs/dbraw/zinc/95/31/58/388953158.db2.gz FKXBEGDZOHWPQV-OAHLLOKOSA-N 2 2 232.371 2.433 20 0 BEADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000274862557 389049065 /nfs/dbraw/zinc/04/90/65/389049065.db2.gz DBKJXPLBPAJVLP-JTQLQIEISA-N 2 2 241.766 2.337 20 0 BEADLP C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000400653104 533455285 /nfs/dbraw/zinc/45/52/85/533455285.db2.gz QFRQHZMQJFHYGW-MFKMUULPSA-N 2 2 222.307 2.056 20 0 BEADLP Cn1cc[nH+]c1[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000373056444 132286373 /nfs/dbraw/zinc/28/63/73/132286373.db2.gz HSDIFYYDOXUKNV-LBPRGKRZSA-N 2 2 242.326 2.199 20 0 BEADLP CCC[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000311121113 132294876 /nfs/dbraw/zinc/29/48/76/132294876.db2.gz XQRDQDQLMFSFEH-GFCCVEGCSA-N 2 2 248.374 2.092 20 0 BEADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335497428 133867258 /nfs/dbraw/zinc/86/72/58/133867258.db2.gz YBAOKKUXFYKTGN-DGCLKSJQSA-N 2 2 234.343 2.389 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969288 134029184 /nfs/dbraw/zinc/02/91/84/134029184.db2.gz HXNHMPFYZBTMAT-TWRYWWQQSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969288 134029185 /nfs/dbraw/zinc/02/91/85/134029185.db2.gz HXNHMPFYZBTMAT-TWRYWWQQSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969284 134029400 /nfs/dbraw/zinc/02/94/00/134029400.db2.gz HXNHMPFYZBTMAT-KKOFPSKJSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969284 134029401 /nfs/dbraw/zinc/02/94/01/134029401.db2.gz HXNHMPFYZBTMAT-KKOFPSKJSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969286 134029478 /nfs/dbraw/zinc/02/94/78/134029478.db2.gz HXNHMPFYZBTMAT-MFNGEMCRSA-N 2 2 244.382 2.472 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000335969286 134029479 /nfs/dbraw/zinc/02/94/79/134029479.db2.gz HXNHMPFYZBTMAT-MFNGEMCRSA-N 2 2 244.382 2.472 20 0 BEADLP Fc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000336004787 134048378 /nfs/dbraw/zinc/04/83/78/134048378.db2.gz AUIXBTIILRFJLE-NSHDSACASA-N 2 2 245.301 2.196 20 0 BEADLP Fc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000336004787 134048379 /nfs/dbraw/zinc/04/83/79/134048379.db2.gz AUIXBTIILRFJLE-NSHDSACASA-N 2 2 245.301 2.196 20 0 BEADLP Fc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000336104219 134084402 /nfs/dbraw/zinc/08/44/02/134084402.db2.gz WVXMHMMHKVUSJQ-ZDUSSCGKSA-N 2 2 245.301 2.127 20 0 BEADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1F ZINC000168797242 134247783 /nfs/dbraw/zinc/24/77/83/134247783.db2.gz CDJZQKMRQRUBLQ-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1F ZINC000168797242 134247784 /nfs/dbraw/zinc/24/77/84/134247784.db2.gz CDJZQKMRQRUBLQ-GFCCVEGCSA-N 2 2 222.307 2.057 20 0 BEADLP Cc1csc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000168758978 134247830 /nfs/dbraw/zinc/24/78/30/134247830.db2.gz RSWHLDDYOOJHQD-MNOVXSKESA-N 2 2 239.388 2.244 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000217677287 134249440 /nfs/dbraw/zinc/24/94/40/134249440.db2.gz SQYDKVRHQXZCJM-CFVMTHIKSA-N 2 2 245.370 2.359 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000217677287 134249441 /nfs/dbraw/zinc/24/94/41/134249441.db2.gz SQYDKVRHQXZCJM-CFVMTHIKSA-N 2 2 245.370 2.359 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000178384423 134309071 /nfs/dbraw/zinc/30/90/71/134309071.db2.gz CDTLKFXDYLJFOG-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP COCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000178384423 134309072 /nfs/dbraw/zinc/30/90/72/134309072.db2.gz CDTLKFXDYLJFOG-XQQFMLRXSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1cccc(C)c1C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221388191 134323529 /nfs/dbraw/zinc/32/35/29/134323529.db2.gz HDVBUHSGRUAXCF-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1cccc(C)c1C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000221388191 134323530 /nfs/dbraw/zinc/32/35/30/134323530.db2.gz HDVBUHSGRUAXCF-GDBMZVCRSA-N 2 2 244.382 2.487 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCSC1 ZINC000224377077 134346416 /nfs/dbraw/zinc/34/64/16/134346416.db2.gz WWMZDIYBTDJMJP-OLZOCXBDSA-N 2 2 244.448 2.305 20 0 BEADLP Cc1nc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000227375359 134379237 /nfs/dbraw/zinc/37/92/37/134379237.db2.gz LMZOQWJLMQYUEL-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP Cc1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000227375359 134379238 /nfs/dbraw/zinc/37/92/38/134379238.db2.gz LMZOQWJLMQYUEL-ONGXEEELSA-N 2 2 239.388 2.024 20 0 BEADLP C[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000227559654 134383304 /nfs/dbraw/zinc/38/33/04/134383304.db2.gz KMCMMQRIRCLUGB-AGIUHOORSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](C)CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000227552041 134383416 /nfs/dbraw/zinc/38/34/16/134383416.db2.gz OHKRTDLXXXAIOO-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP CC[N@@H+](C)CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000227552041 134383417 /nfs/dbraw/zinc/38/34/17/134383417.db2.gz OHKRTDLXXXAIOO-OLZOCXBDSA-N 2 2 212.381 2.354 20 0 BEADLP CCCc1[nH+]ccn1CCC[NH+]1CCCC1 ZINC000070424182 134917466 /nfs/dbraw/zinc/91/74/66/134917466.db2.gz JASNSXRLWQDZDM-UHFFFAOYSA-N 2 2 221.348 2.322 20 0 BEADLP CC[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000070642977 135000334 /nfs/dbraw/zinc/00/03/34/135000334.db2.gz PLEGCUOLAORZRG-OLZOCXBDSA-N 2 2 221.348 2.442 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248727752 135020399 /nfs/dbraw/zinc/02/03/99/135020399.db2.gz CWUPJPBVOZIXOA-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248727752 135020400 /nfs/dbraw/zinc/02/04/00/135020400.db2.gz CWUPJPBVOZIXOA-QWHCGFSZSA-N 2 2 242.407 2.120 20 0 BEADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248884785 135025442 /nfs/dbraw/zinc/02/54/42/135025442.db2.gz DRRNHVXNWKPDEF-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248884785 135025443 /nfs/dbraw/zinc/02/54/43/135025443.db2.gz DRRNHVXNWKPDEF-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248884785 135025445 /nfs/dbraw/zinc/02/54/45/135025445.db2.gz DRRNHVXNWKPDEF-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP Cc1cncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248884785 135025446 /nfs/dbraw/zinc/02/54/46/135025446.db2.gz DRRNHVXNWKPDEF-ZFWWWQNUSA-N 2 2 247.386 2.305 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249886352 135047328 /nfs/dbraw/zinc/04/73/28/135047328.db2.gz CELKIBWTMUJDHL-ITGUQSILSA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249886352 135047329 /nfs/dbraw/zinc/04/73/29/135047329.db2.gz CELKIBWTMUJDHL-ITGUQSILSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250112007 135049520 /nfs/dbraw/zinc/04/95/20/135049520.db2.gz MCEHPZFJUMNZMR-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250112007 135049522 /nfs/dbraw/zinc/04/95/22/135049522.db2.gz MCEHPZFJUMNZMR-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000251565636 135071233 /nfs/dbraw/zinc/07/12/33/135071233.db2.gz AMFLGEJGUZEHID-XQQFMLRXSA-N 2 2 212.381 2.480 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000251565636 135071234 /nfs/dbraw/zinc/07/12/34/135071234.db2.gz AMFLGEJGUZEHID-XQQFMLRXSA-N 2 2 212.381 2.480 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)C[C@H]1C ZINC000251630357 135073100 /nfs/dbraw/zinc/07/31/00/135073100.db2.gz DTISNIQKTVJDHZ-UPJWGTAASA-N 2 2 221.348 2.297 20 0 BEADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)C(C)C ZINC000252408409 135088103 /nfs/dbraw/zinc/08/81/03/135088103.db2.gz IUDVKICZHWJTJD-NEPJUHHUSA-N 2 2 200.370 2.336 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cs1 ZINC000087472195 135141517 /nfs/dbraw/zinc/14/15/17/135141517.db2.gz SFLKGXNDGNKIKD-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000087472195 135141520 /nfs/dbraw/zinc/14/15/20/135141520.db2.gz SFLKGXNDGNKIKD-UHFFFAOYSA-N 2 2 232.780 2.443 20 0 BEADLP C[NH2+]CCC[N@H+](C)Cc1cc(F)ccc1F ZINC000087472258 135143033 /nfs/dbraw/zinc/14/30/33/135143033.db2.gz HWZPJBALTWDHMA-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP C[NH2+]CCC[N@@H+](C)Cc1cc(F)ccc1F ZINC000087472258 135143034 /nfs/dbraw/zinc/14/30/34/135143034.db2.gz HWZPJBALTWDHMA-UHFFFAOYSA-N 2 2 228.286 2.006 20 0 BEADLP Cc1cc(C)c(C[N@@H+](C)[C@H](C)C[NH3+])cc1C ZINC000259636910 135143924 /nfs/dbraw/zinc/14/39/24/135143924.db2.gz CLCACTYQLLOUFT-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP Cc1cc(C)c(C[N@H+](C)[C@H](C)C[NH3+])cc1C ZINC000259636910 135143925 /nfs/dbraw/zinc/14/39/25/135143925.db2.gz CLCACTYQLLOUFT-CYBMUJFWSA-N 2 2 220.360 2.391 20 0 BEADLP CCOc1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261545688 135150394 /nfs/dbraw/zinc/15/03/94/135150394.db2.gz GIXATRQKEHCIDR-AAEUAGOBSA-N 2 2 234.343 2.007 20 0 BEADLP CCOc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261545688 135150395 /nfs/dbraw/zinc/15/03/95/135150395.db2.gz GIXATRQKEHCIDR-AAEUAGOBSA-N 2 2 234.343 2.007 20 0 BEADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000261530180 135157687 /nfs/dbraw/zinc/15/76/87/135157687.db2.gz XSCALPMSQODPHZ-RKDXNWHRSA-N 2 2 212.724 2.165 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000261533554 135165090 /nfs/dbraw/zinc/16/50/90/135165090.db2.gz KXGTUQCKHHBHIF-NXEZZACHSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000261533554 135165091 /nfs/dbraw/zinc/16/50/91/135165091.db2.gz KXGTUQCKHHBHIF-NXEZZACHSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000261533556 135165226 /nfs/dbraw/zinc/16/52/26/135165226.db2.gz KXGTUQCKHHBHIF-VHSXEESVSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000261533556 135165227 /nfs/dbraw/zinc/16/52/27/135165227.db2.gz KXGTUQCKHHBHIF-VHSXEESVSA-N 2 2 210.346 2.232 20 0 BEADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)[NH3+])s1 ZINC000261538626 135176386 /nfs/dbraw/zinc/17/63/86/135176386.db2.gz YTHFVEIEZPMRND-IONNQARKSA-N 2 2 227.377 2.100 20 0 BEADLP C[C@H]1C[N@H+](Cc2coc3ccccc23)C[C@H]1[NH3+] ZINC000261543271 135184028 /nfs/dbraw/zinc/18/40/28/135184028.db2.gz SMWHHGLGMLRVTK-GXFFZTMASA-N 2 2 230.311 2.212 20 0 BEADLP C[C@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1[NH3+] ZINC000261543271 135184030 /nfs/dbraw/zinc/18/40/30/135184030.db2.gz SMWHHGLGMLRVTK-GXFFZTMASA-N 2 2 230.311 2.212 20 0 BEADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261543299 135184091 /nfs/dbraw/zinc/18/40/91/135184091.db2.gz CTQWGARXPKESCG-TZMCWYRMSA-N 2 2 234.318 2.010 20 0 BEADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261543299 135184092 /nfs/dbraw/zinc/18/40/92/135184092.db2.gz CTQWGARXPKESCG-TZMCWYRMSA-N 2 2 234.318 2.010 20 0 BEADLP C[C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1[NH3+] ZINC000261548444 135186718 /nfs/dbraw/zinc/18/67/18/135186718.db2.gz AYGGHLKHHXGNKL-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1[NH3+] ZINC000261548444 135186720 /nfs/dbraw/zinc/18/67/20/135186720.db2.gz AYGGHLKHHXGNKL-SMDDNHRTSA-N 2 2 241.338 2.014 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000261552287 135191340 /nfs/dbraw/zinc/19/13/40/135191340.db2.gz MWCRNPUTCXFLNC-ZDUSSCGKSA-N 2 2 242.313 2.428 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2cccnc21 ZINC000261553045 135191898 /nfs/dbraw/zinc/19/18/98/135191898.db2.gz AALPSZMJGXCLCL-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2cccnc21 ZINC000261553045 135191900 /nfs/dbraw/zinc/19/19/00/135191900.db2.gz AALPSZMJGXCLCL-SMDDNHRTSA-N 2 2 241.338 2.156 20 0 BEADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000261559749 135200044 /nfs/dbraw/zinc/20/00/44/135200044.db2.gz UABZWXULJZPAOS-CYBMUJFWSA-N 2 2 242.313 2.428 20 0 BEADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000261563367 135205430 /nfs/dbraw/zinc/20/54/30/135205430.db2.gz WZKIMYUHEOLYHZ-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000261563367 135205432 /nfs/dbraw/zinc/20/54/32/135205432.db2.gz WZKIMYUHEOLYHZ-VIFPVBQESA-N 2 2 246.276 2.484 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccncc1Cl ZINC000261563828 135206122 /nfs/dbraw/zinc/20/61/22/135206122.db2.gz CAXGJHFBQDQMOM-LBPRGKRZSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000261565258 135207898 /nfs/dbraw/zinc/20/78/98/135207898.db2.gz DAUUBGZGBSVOOW-QMMMGPOBSA-N 2 2 228.286 2.353 20 0 BEADLP C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)[NH+](C)C ZINC000084342175 135210066 /nfs/dbraw/zinc/21/00/66/135210066.db2.gz KMCMMQRIRCLUGB-JHJVBQTASA-N 2 2 212.381 2.352 20 0 BEADLP C[C@@H](C[NH2+]CC1CCCCCC1)[NH+](C)C ZINC000084329148 135211615 /nfs/dbraw/zinc/21/16/15/135211615.db2.gz CYHLYNVWGHZACH-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000261581222 135221156 /nfs/dbraw/zinc/22/11/56/135221156.db2.gz NJYVXDLUOMLUJS-CIUDSAMLSA-N 2 2 228.286 2.351 20 0 BEADLP CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](C)[NH3+] ZINC000261581272 135222397 /nfs/dbraw/zinc/22/23/97/135222397.db2.gz NLLXJYOJVYUDNF-ONGXEEELSA-N 2 2 224.373 2.405 20 0 BEADLP CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](C)[NH3+] ZINC000261581272 135222399 /nfs/dbraw/zinc/22/23/99/135222399.db2.gz NLLXJYOJVYUDNF-ONGXEEELSA-N 2 2 224.373 2.405 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000261582052 135222943 /nfs/dbraw/zinc/22/29/43/135222943.db2.gz OAFRXRSUELQBJK-IUCAKERBSA-N 2 2 228.286 2.305 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000261582052 135222945 /nfs/dbraw/zinc/22/29/45/135222945.db2.gz OAFRXRSUELQBJK-IUCAKERBSA-N 2 2 228.286 2.305 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000261585747 135226852 /nfs/dbraw/zinc/22/68/52/135226852.db2.gz QPAPCVJQQVLTPI-AXFHLTTASA-N 2 2 222.332 2.082 20 0 BEADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000261599026 135237346 /nfs/dbraw/zinc/23/73/46/135237346.db2.gz ZRZRILSQKTXANR-CIUDSAMLSA-N 2 2 228.286 2.351 20 0 BEADLP CSc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261599688 135237538 /nfs/dbraw/zinc/23/75/38/135237538.db2.gz ZWWDSWGKPXJPPA-MFKMUULPSA-N 2 2 236.384 2.330 20 0 BEADLP CSc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261599688 135237540 /nfs/dbraw/zinc/23/75/40/135237540.db2.gz ZWWDSWGKPXJPPA-MFKMUULPSA-N 2 2 236.384 2.330 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1[NH3+] ZINC000261546485 135238421 /nfs/dbraw/zinc/23/84/21/135238421.db2.gz ZMLMJMNKUOEURP-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1[NH3+] ZINC000261546485 135238423 /nfs/dbraw/zinc/23/84/23/135238423.db2.gz ZMLMJMNKUOEURP-BXUZGUMPSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000261547250 135240289 /nfs/dbraw/zinc/24/02/89/135240289.db2.gz HURABPNAUDXVRL-RNCFNFMXSA-N 2 2 240.297 2.052 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000261547249 135240482 /nfs/dbraw/zinc/24/04/82/135240482.db2.gz HURABPNAUDXVRL-NOZJJQNGSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1ccc2cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc2n1 ZINC000261805608 135254380 /nfs/dbraw/zinc/25/43/80/135254380.db2.gz HHKOJJJUKANYBR-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc2n1 ZINC000261805608 135254381 /nfs/dbraw/zinc/25/43/81/135254381.db2.gz HHKOJJJUKANYBR-LBPRGKRZSA-N 2 2 243.354 2.322 20 0 BEADLP Cc1ccc2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261886368 135260343 /nfs/dbraw/zinc/26/03/43/135260343.db2.gz SBTZHACDORDBTA-HNNXBMFYSA-N 2 2 230.355 2.310 20 0 BEADLP Cc1ccc2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)C2 ZINC000261886368 135260345 /nfs/dbraw/zinc/26/03/45/135260345.db2.gz SBTZHACDORDBTA-HNNXBMFYSA-N 2 2 230.355 2.310 20 0 BEADLP COc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1C ZINC000261955030 135265901 /nfs/dbraw/zinc/26/59/01/135265901.db2.gz ONLKZDVWMSQSAV-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP COc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1C ZINC000261955030 135265903 /nfs/dbraw/zinc/26/59/03/135265903.db2.gz ONLKZDVWMSQSAV-CQSZACIVSA-N 2 2 248.370 2.317 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@@H+](CC(C)(C)[NH3+])CC2 ZINC000262039441 135274441 /nfs/dbraw/zinc/27/44/41/135274441.db2.gz YETYKMYBXVUAKZ-UHFFFAOYSA-N 2 2 232.371 2.399 20 0 BEADLP Cc1cc(C)c2c(c1)C[N@H+](CC(C)(C)[NH3+])CC2 ZINC000262039441 135274442 /nfs/dbraw/zinc/27/44/42/135274442.db2.gz YETYKMYBXVUAKZ-UHFFFAOYSA-N 2 2 232.371 2.399 20 0 BEADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000262182767 135284489 /nfs/dbraw/zinc/28/44/89/135284489.db2.gz WYGZGADTWRWRGC-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000262182767 135284490 /nfs/dbraw/zinc/28/44/90/135284490.db2.gz WYGZGADTWRWRGC-AWEZNQCLSA-N 2 2 248.370 2.105 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccncc1 ZINC000342700906 135306972 /nfs/dbraw/zinc/30/69/72/135306972.db2.gz BMYVDOHGODTENY-OBJOEFQTSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccncc1 ZINC000342700906 135306974 /nfs/dbraw/zinc/30/69/74/135306974.db2.gz BMYVDOHGODTENY-OBJOEFQTSA-N 2 2 233.359 2.215 20 0 BEADLP C[C@@H]1SCC[N@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000262952179 135324619 /nfs/dbraw/zinc/32/46/19/135324619.db2.gz JTWNYDGYAHEMCB-WCQYABFASA-N 2 2 236.384 2.124 20 0 BEADLP C[C@@H]1SCC[N@@H+](CC[NH3+])[C@H]1c1ccccc1 ZINC000262952179 135324620 /nfs/dbraw/zinc/32/46/20/135324620.db2.gz JTWNYDGYAHEMCB-WCQYABFASA-N 2 2 236.384 2.124 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)[nH]1 ZINC000334223893 135328859 /nfs/dbraw/zinc/32/88/59/135328859.db2.gz AESXHLSOSMVKKD-CHWSQXEVSA-N 2 2 249.358 2.016 20 0 BEADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)[nH]1 ZINC000334223893 135328861 /nfs/dbraw/zinc/32/88/61/135328861.db2.gz AESXHLSOSMVKKD-CHWSQXEVSA-N 2 2 249.358 2.016 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000342947998 135338014 /nfs/dbraw/zinc/33/80/14/135338014.db2.gz UTSUCKLFIHSRAX-DZGCQCFKSA-N 2 2 232.371 2.159 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000342947998 135338015 /nfs/dbraw/zinc/33/80/15/135338015.db2.gz UTSUCKLFIHSRAX-DZGCQCFKSA-N 2 2 232.371 2.159 20 0 BEADLP C[N@@H+]1CCC[C@H]2CN(c3cccc[nH+]3)CC[C@H]21 ZINC000268873190 135364024 /nfs/dbraw/zinc/36/40/24/135364024.db2.gz UULLLYMBMIJHFQ-QWHCGFSZSA-N 2 2 231.343 2.002 20 0 BEADLP C[N@H+]1CCC[C@H]2CN(c3cccc[nH+]3)CC[C@H]21 ZINC000268873190 135364025 /nfs/dbraw/zinc/36/40/25/135364025.db2.gz UULLLYMBMIJHFQ-QWHCGFSZSA-N 2 2 231.343 2.002 20 0 BEADLP Cc1ccsc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894601 135380646 /nfs/dbraw/zinc/38/06/46/135380646.db2.gz YENIFNDOTMAYDR-NWDGAFQWSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1ccsc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299894601 135380647 /nfs/dbraw/zinc/38/06/47/135380647.db2.gz YENIFNDOTMAYDR-NWDGAFQWSA-N 2 2 236.384 2.240 20 0 BEADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](C)[NH3+])CCC2 ZINC000334386349 135381779 /nfs/dbraw/zinc/38/17/79/135381779.db2.gz NPHJEZVHSZWWQY-KWQFWETISA-N 2 2 239.388 2.108 20 0 BEADLP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](C)[NH3+])CCC2 ZINC000334386349 135381781 /nfs/dbraw/zinc/38/17/81/135381781.db2.gz NPHJEZVHSZWWQY-KWQFWETISA-N 2 2 239.388 2.108 20 0 BEADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299919321 135381800 /nfs/dbraw/zinc/38/18/00/135381800.db2.gz LUXMIKZAIBOPAW-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000299919321 135381802 /nfs/dbraw/zinc/38/18/02/135381802.db2.gz LUXMIKZAIBOPAW-CABCVRRESA-N 2 2 230.355 2.179 20 0 BEADLP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](C)[NH3+])CCC2 ZINC000334386343 135382192 /nfs/dbraw/zinc/38/21/92/135382192.db2.gz NPHJEZVHSZWWQY-GZMMTYOYSA-N 2 2 239.388 2.108 20 0 BEADLP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](C)[NH3+])CCC2 ZINC000334386343 135382194 /nfs/dbraw/zinc/38/21/94/135382194.db2.gz NPHJEZVHSZWWQY-GZMMTYOYSA-N 2 2 239.388 2.108 20 0 BEADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299921936 135383455 /nfs/dbraw/zinc/38/34/55/135383455.db2.gz RDXOCEGSZLFGKT-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000299921936 135383456 /nfs/dbraw/zinc/38/34/56/135383456.db2.gz RDXOCEGSZLFGKT-HOCLYGCPSA-N 2 2 244.382 2.487 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638714 135388230 /nfs/dbraw/zinc/38/82/30/135388230.db2.gz KEOSFXXPTMGLCS-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638714 135388232 /nfs/dbraw/zinc/38/82/32/135388232.db2.gz KEOSFXXPTMGLCS-UONOGXRCSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000335283320 136000906 /nfs/dbraw/zinc/00/09/06/136000906.db2.gz XMDOUNWAOGAXBN-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@@H]1CCC[C@H](C)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000335283320 136000907 /nfs/dbraw/zinc/00/09/07/136000907.db2.gz XMDOUNWAOGAXBN-OLZOCXBDSA-N 2 2 235.375 2.473 20 0 BEADLP CCC[N@H+](CCc1c[nH+]cn1C)CC1CC1 ZINC000347723844 136003409 /nfs/dbraw/zinc/00/34/09/136003409.db2.gz TYGRJZTUSKGNMI-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP CCC[N@@H+](CCc1c[nH+]cn1C)CC1CC1 ZINC000347723844 136003410 /nfs/dbraw/zinc/00/34/10/136003410.db2.gz TYGRJZTUSKGNMI-UHFFFAOYSA-N 2 2 221.348 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000347728595 136003949 /nfs/dbraw/zinc/00/39/49/136003949.db2.gz NAMALORNQAQOMQ-UHFFFAOYSA-N 2 2 247.317 2.234 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000347728595 136003950 /nfs/dbraw/zinc/00/39/50/136003950.db2.gz NAMALORNQAQOMQ-UHFFFAOYSA-N 2 2 247.317 2.234 20 0 BEADLP C[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347769790 136008764 /nfs/dbraw/zinc/00/87/64/136008764.db2.gz HUTJQQALAJXTSH-JTQLQIEISA-N 2 2 239.388 2.189 20 0 BEADLP C[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347769790 136008765 /nfs/dbraw/zinc/00/87/65/136008765.db2.gz HUTJQQALAJXTSH-JTQLQIEISA-N 2 2 239.388 2.189 20 0 BEADLP C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347786777 136009944 /nfs/dbraw/zinc/00/99/44/136009944.db2.gz PLLMNYFNVJLPSP-JTQLQIEISA-N 2 2 239.388 2.047 20 0 BEADLP C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347786777 136009945 /nfs/dbraw/zinc/00/99/45/136009945.db2.gz PLLMNYFNVJLPSP-JTQLQIEISA-N 2 2 239.388 2.047 20 0 BEADLP C[C@H]1CCCC[C@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000347751038 136011176 /nfs/dbraw/zinc/01/11/76/136011176.db2.gz AWYNESLOSCUZMJ-GXTWGEPZSA-N 2 2 235.375 2.473 20 0 BEADLP C[C@H]1CCCC[C@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000347751038 136011177 /nfs/dbraw/zinc/01/11/77/136011177.db2.gz AWYNESLOSCUZMJ-GXTWGEPZSA-N 2 2 235.375 2.473 20 0 BEADLP CC[C@@H](CCO)[NH2+]CCCc1c[nH+]ccc1C ZINC000348047659 136030358 /nfs/dbraw/zinc/03/03/58/136030358.db2.gz UZBCNZSQOUNPTM-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](C)(O)C1CC1 ZINC000348051495 136031035 /nfs/dbraw/zinc/03/10/35/136031035.db2.gz WXRNLIHOBIADFB-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000348081625 136034806 /nfs/dbraw/zinc/03/48/06/136034806.db2.gz KXYKUTURKCJATQ-WCUVEOEZSA-N 2 2 234.387 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000348081625 136034807 /nfs/dbraw/zinc/03/48/07/136034807.db2.gz KXYKUTURKCJATQ-WCUVEOEZSA-N 2 2 234.387 2.390 20 0 BEADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000348187032 136038283 /nfs/dbraw/zinc/03/82/83/136038283.db2.gz OFJGRDVBXSJTNF-CHWSQXEVSA-N 2 2 235.375 2.470 20 0 BEADLP CCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cn1 ZINC000348172909 136042545 /nfs/dbraw/zinc/04/25/45/136042545.db2.gz LGZKEOICHQXZOF-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cn1 ZINC000348172909 136042546 /nfs/dbraw/zinc/04/25/46/136042546.db2.gz LGZKEOICHQXZOF-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000348172909 136042547 /nfs/dbraw/zinc/04/25/47/136042547.db2.gz LGZKEOICHQXZOF-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000348172909 136042548 /nfs/dbraw/zinc/04/25/48/136042548.db2.gz LGZKEOICHQXZOF-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP CCOC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000348175371 136042652 /nfs/dbraw/zinc/04/26/52/136042652.db2.gz QUCHXYAGLSGCFA-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1CCO ZINC000348178084 136043335 /nfs/dbraw/zinc/04/33/35/136043335.db2.gz ZVSBIKXHAGITAE-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1CCO ZINC000348178084 136043336 /nfs/dbraw/zinc/04/33/36/136043336.db2.gz ZVSBIKXHAGITAE-HNNXBMFYSA-N 2 2 248.370 2.169 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOCC12CC2 ZINC000348352770 136071955 /nfs/dbraw/zinc/07/19/55/136071955.db2.gz LMBIQSKKAYGFIS-UHFFFAOYSA-N 2 2 246.354 2.187 20 0 BEADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOCC12CC2 ZINC000348352770 136071956 /nfs/dbraw/zinc/07/19/56/136071956.db2.gz LMBIQSKKAYGFIS-UHFFFAOYSA-N 2 2 246.354 2.187 20 0 BEADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1C[C@@H]1c1ccccc1 ZINC000348335502 136075732 /nfs/dbraw/zinc/07/57/32/136075732.db2.gz QTXFYYHMXCKVJL-NWANDNLSSA-N 2 2 232.371 2.330 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335388795 136090000 /nfs/dbraw/zinc/09/00/00/136090000.db2.gz LPRMRSWWSAFZAL-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335388795 136090001 /nfs/dbraw/zinc/09/00/01/136090001.db2.gz LPRMRSWWSAFZAL-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCC[C@H]2O)c[nH+]1 ZINC000348555561 136096783 /nfs/dbraw/zinc/09/67/83/136096783.db2.gz NTOFFSZYHYZUQL-LSDHHAIUSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCC[C@H]2O)c[nH+]1 ZINC000348555561 136096784 /nfs/dbraw/zinc/09/67/84/136096784.db2.gz NTOFFSZYHYZUQL-LSDHHAIUSA-N 2 2 248.370 2.168 20 0 BEADLP [NH3+]CC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000335566483 136107750 /nfs/dbraw/zinc/10/77/50/136107750.db2.gz UMZWYQOUFXXDCL-NSHDSACASA-N 2 2 240.734 2.102 20 0 BEADLP CC1([NH3+])CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000647531361 397779976 /nfs/dbraw/zinc/77/99/76/397779976.db2.gz QPCCWNXCKQECKW-UHFFFAOYSA-N 2 2 240.297 2.278 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](C)C(C)(C)C ZINC000647540548 397782465 /nfs/dbraw/zinc/78/24/65/397782465.db2.gz ZRDHJTGCQQGMCN-SRVKXCTJSA-N 2 2 230.371 2.300 20 0 BEADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](C)C(C)(C)C ZINC000647540548 397782470 /nfs/dbraw/zinc/78/24/70/397782470.db2.gz ZRDHJTGCQQGMCN-SRVKXCTJSA-N 2 2 230.371 2.300 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624148831 397882849 /nfs/dbraw/zinc/88/28/49/397882849.db2.gz OZTQQIXSXJNNJE-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP CCC(F)(F)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624148831 397882852 /nfs/dbraw/zinc/88/28/52/397882852.db2.gz OZTQQIXSXJNNJE-IJLUTSLNSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000629545407 397968904 /nfs/dbraw/zinc/96/89/04/397968904.db2.gz DLMVKPKQUDXIJM-CUOATXAZSA-N 2 2 234.318 2.153 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449555369 397955802 /nfs/dbraw/zinc/95/58/02/397955802.db2.gz RIGKPOJMIGOKGN-COMQUAJESA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449555369 397955804 /nfs/dbraw/zinc/95/58/04/397955804.db2.gz RIGKPOJMIGOKGN-COMQUAJESA-N 2 2 236.403 2.493 20 0 BEADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000643537872 397918796 /nfs/dbraw/zinc/91/87/96/397918796.db2.gz SRMUGCIIVCCNRH-UBHSHLNASA-N 2 2 236.334 2.346 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537937 397919287 /nfs/dbraw/zinc/91/92/87/397919287.db2.gz VBTRGFVQACEENB-GZCFXPHUSA-N 2 2 248.345 2.210 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1Cc2ccccc2C1 ZINC000555093811 397992307 /nfs/dbraw/zinc/99/23/07/397992307.db2.gz DTKLAKMSJOAOAI-MRXNPFEDSA-N 2 2 244.382 2.085 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1Cc2ccccc2C1 ZINC000555093811 397992309 /nfs/dbraw/zinc/99/23/09/397992309.db2.gz DTKLAKMSJOAOAI-MRXNPFEDSA-N 2 2 244.382 2.085 20 0 BEADLP Cc1cncc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000274675061 398012985 /nfs/dbraw/zinc/01/29/85/398012985.db2.gz YRFAXPNPUQMIPO-OLZOCXBDSA-N 2 2 244.342 2.326 20 0 BEADLP c1cn(CCC[NH2+]C2CCCCC2)c[nH+]1 ZINC000034937281 398017659 /nfs/dbraw/zinc/01/76/59/398017659.db2.gz LUZCSSSYAPIZJE-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000629545362 397969096 /nfs/dbraw/zinc/96/90/96/397969096.db2.gz CUOGGBQANRJZFA-COLVAYQJSA-N 2 2 246.354 2.023 20 0 BEADLP c1c2ccccc2oc1C[N@@H+]1CCC[NH2+]CC1 ZINC000038086906 397972992 /nfs/dbraw/zinc/97/29/92/397972992.db2.gz QXLDRABZGTXCDO-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP c1c2ccccc2oc1C[N@H+]1CCC[NH2+]CC1 ZINC000038086906 397972997 /nfs/dbraw/zinc/97/29/97/397972997.db2.gz QXLDRABZGTXCDO-UHFFFAOYSA-N 2 2 230.311 2.228 20 0 BEADLP C[NH2+]CC[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000414818375 398043450 /nfs/dbraw/zinc/04/34/50/398043450.db2.gz DVNKKNRBOYVSLQ-UHFFFAOYSA-N 2 2 247.367 2.119 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648450098 398051886 /nfs/dbraw/zinc/05/18/86/398051886.db2.gz SWHOBRNZFHQSHL-SWLSCSKDSA-N 2 2 248.370 2.285 20 0 BEADLP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450098 398051888 /nfs/dbraw/zinc/05/18/88/398051888.db2.gz SWHOBRNZFHQSHL-SWLSCSKDSA-N 2 2 248.370 2.285 20 0 BEADLP CCc1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000051722226 398057794 /nfs/dbraw/zinc/05/77/94/398057794.db2.gz CHHVEODWBNOSAI-UHFFFAOYSA-N 2 2 222.332 2.026 20 0 BEADLP C[N@H+](CCNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000062010258 398110064 /nfs/dbraw/zinc/11/00/64/398110064.db2.gz AOKCHQGEJQUOSR-UHFFFAOYSA-N 2 2 230.315 2.069 20 0 BEADLP C[N@@H+](CCNc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000062010258 398110067 /nfs/dbraw/zinc/11/00/67/398110067.db2.gz AOKCHQGEJQUOSR-UHFFFAOYSA-N 2 2 230.315 2.069 20 0 BEADLP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000414950443 398124508 /nfs/dbraw/zinc/12/45/08/398124508.db2.gz HUDTYLPCNFMTRZ-SWLSCSKDSA-N 2 2 248.370 2.315 20 0 BEADLP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000258813289 322876479 /nfs/dbraw/zinc/87/64/79/322876479.db2.gz KXDFUBDHIFGZCO-UHFFFAOYSA-N 2 2 230.714 2.306 20 0 BEADLP CC[C@@H](C[NH+]1CCCC1)Nc1cc[nH+]c(C)n1 ZINC000674337108 487560686 /nfs/dbraw/zinc/56/06/86/487560686.db2.gz BHOAYGZEKWQORQ-LBPRGKRZSA-N 2 2 234.347 2.071 20 0 BEADLP Clc1c[nH+]ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086833139 487561261 /nfs/dbraw/zinc/56/12/61/487561261.db2.gz KLYSLPQPKKFGDJ-VIFPVBQESA-N 2 2 237.734 2.384 20 0 BEADLP Clc1c[nH+]ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086833139 487561264 /nfs/dbraw/zinc/56/12/64/487561264.db2.gz KLYSLPQPKKFGDJ-VIFPVBQESA-N 2 2 237.734 2.384 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](COC)CC(C)C)C1 ZINC000658287974 487577752 /nfs/dbraw/zinc/57/77/52/487577752.db2.gz PSONJFKOXARABJ-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](COC)CC(C)C)C1 ZINC000658287974 487577756 /nfs/dbraw/zinc/57/77/56/487577756.db2.gz PSONJFKOXARABJ-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CS1 ZINC000086935486 487593471 /nfs/dbraw/zinc/59/34/71/487593471.db2.gz FPSZQZUMZIMBFD-OLZOCXBDSA-N 2 2 242.432 2.346 20 0 BEADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000556608786 322917242 /nfs/dbraw/zinc/91/72/42/322917242.db2.gz OFPSCVYYMZOZCJ-CYBMUJFWSA-N 2 2 233.359 2.498 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232476646 487598174 /nfs/dbraw/zinc/59/81/74/487598174.db2.gz DEHGDMBVIFOPFP-ZFWWWQNUSA-N 2 2 230.355 2.406 20 0 BEADLP CCC[N@H+](CC1CC=CC1)[C@H]1CC[NH2+]C1 ZINC000662247749 409543601 /nfs/dbraw/zinc/54/36/01/409543601.db2.gz ZTJXZBSVCNHCQK-ZDUSSCGKSA-N 2 2 208.349 2.027 20 0 BEADLP CCC[N@@H+](CC1CC=CC1)[C@H]1CC[NH2+]C1 ZINC000662247749 409543608 /nfs/dbraw/zinc/54/36/08/409543608.db2.gz ZTJXZBSVCNHCQK-ZDUSSCGKSA-N 2 2 208.349 2.027 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC1(C)C ZINC000662343868 409656233 /nfs/dbraw/zinc/65/62/33/409656233.db2.gz CVNGOIRFKANGOB-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC1(C)C ZINC000662343868 409656239 /nfs/dbraw/zinc/65/62/39/409656239.db2.gz CVNGOIRFKANGOB-LBPRGKRZSA-N 2 2 221.348 2.251 20 0 BEADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934133 409978699 /nfs/dbraw/zinc/97/86/99/409978699.db2.gz LKWXOTCNEOJPTO-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934133 409978703 /nfs/dbraw/zinc/97/87/03/409978703.db2.gz LKWXOTCNEOJPTO-JSGCOSHPSA-N 2 2 233.359 2.227 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663501685 410277478 /nfs/dbraw/zinc/27/74/78/410277478.db2.gz LKOIFIULYCQJIW-UHFFFAOYSA-N 2 2 242.366 2.406 20 0 BEADLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650702658 410332108 /nfs/dbraw/zinc/33/21/08/410332108.db2.gz OTPBLTKWBHNLMR-CQSZACIVSA-N 2 2 230.355 2.098 20 0 BEADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650702658 410332116 /nfs/dbraw/zinc/33/21/16/410332116.db2.gz OTPBLTKWBHNLMR-CQSZACIVSA-N 2 2 230.355 2.098 20 0 BEADLP c1cc2c(c(C[NH2+]C[C@H]3CCCC[NH2+]3)c1)CCC2 ZINC000650703626 410333000 /nfs/dbraw/zinc/33/30/00/410333000.db2.gz JMLKQRWPAYNQHQ-OAHLLOKOSA-N 2 2 244.382 2.407 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000075189355 487616303 /nfs/dbraw/zinc/61/63/03/487616303.db2.gz HCEKCBDZCWEJKW-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000075189355 487616309 /nfs/dbraw/zinc/61/63/09/487616309.db2.gz HCEKCBDZCWEJKW-CQSZACIVSA-N 2 2 248.370 2.187 20 0 BEADLP [NH3+]CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000071550160 410437384 /nfs/dbraw/zinc/43/73/84/410437384.db2.gz LILXVOCXGBLDOD-UHFFFAOYSA-N 2 2 240.297 2.103 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000075189357 487616521 /nfs/dbraw/zinc/61/65/21/487616521.db2.gz HCEKCBDZCWEJKW-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP COc1cc(C)ccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000075189357 487616527 /nfs/dbraw/zinc/61/65/27/487616527.db2.gz HCEKCBDZCWEJKW-AWEZNQCLSA-N 2 2 248.370 2.187 20 0 BEADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000661517152 410723869 /nfs/dbraw/zinc/72/38/69/410723869.db2.gz JJYBZRGBAAPTNW-JGGQBBKZSA-N 2 2 244.382 2.399 20 0 BEADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000661517152 410723874 /nfs/dbraw/zinc/72/38/74/410723874.db2.gz JJYBZRGBAAPTNW-JGGQBBKZSA-N 2 2 244.382 2.399 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290168 410775743 /nfs/dbraw/zinc/77/57/43/410775743.db2.gz MMQYHZUTHUFQBE-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290168 410775747 /nfs/dbraw/zinc/77/57/47/410775747.db2.gz MMQYHZUTHUFQBE-CYBMUJFWSA-N 2 2 233.359 2.085 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000665297752 410816924 /nfs/dbraw/zinc/81/69/24/410816924.db2.gz LCUJQSQGFNUJBJ-XUJVJEKNSA-N 2 2 232.371 2.426 20 0 BEADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccccc1 ZINC000665294016 410782420 /nfs/dbraw/zinc/78/24/20/410782420.db2.gz GWUQCKJJLONQDR-YPMHNXCESA-N 2 2 206.333 2.335 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000665295387 410794697 /nfs/dbraw/zinc/79/46/97/410794697.db2.gz CPUHTWRORVCDMU-TZMCWYRMSA-N 2 2 235.375 2.366 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000665295205 410795000 /nfs/dbraw/zinc/79/50/00/410795000.db2.gz AGZOFGPVURYTKZ-JQWIXIFHSA-N 2 2 236.359 2.491 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000665295678 410801150 /nfs/dbraw/zinc/80/11/50/410801150.db2.gz HQJSOVCGUFLJRX-YUMQZZPRSA-N 2 2 227.377 2.018 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000665296152 410805067 /nfs/dbraw/zinc/80/50/67/410805067.db2.gz NNQJHJSHGKZRGS-OCCSQVGLSA-N 2 2 248.370 2.406 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000665296799 410816691 /nfs/dbraw/zinc/81/66/91/410816691.db2.gz XXQLODRRRQWIAZ-OCCSQVGLSA-N 2 2 248.370 2.406 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000651198344 410857575 /nfs/dbraw/zinc/85/75/75/410857575.db2.gz ARXXAUVPXBNWPL-KBPBESRZSA-N 2 2 233.359 2.217 20 0 BEADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000651198344 410857581 /nfs/dbraw/zinc/85/75/81/410857581.db2.gz ARXXAUVPXBNWPL-KBPBESRZSA-N 2 2 233.359 2.217 20 0 BEADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)s1 ZINC000041029434 410903502 /nfs/dbraw/zinc/90/35/02/410903502.db2.gz UFEZDKNSKWRBIM-JTQLQIEISA-N 2 2 224.373 2.234 20 0 BEADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)s1 ZINC000041029434 410903508 /nfs/dbraw/zinc/90/35/08/410903508.db2.gz UFEZDKNSKWRBIM-JTQLQIEISA-N 2 2 224.373 2.234 20 0 BEADLP CC(C)[NH2+][C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000125282130 167138403 /nfs/dbraw/zinc/13/84/03/167138403.db2.gz LTYUNISUPAWHFR-FRRDWIJNSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[NH2+][C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000125282130 167138405 /nfs/dbraw/zinc/13/84/05/167138405.db2.gz LTYUNISUPAWHFR-FRRDWIJNSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)Oc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000347045777 167303861 /nfs/dbraw/zinc/30/38/61/167303861.db2.gz OGBSZFSICVMAKK-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CC(C)Oc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000347045777 167303863 /nfs/dbraw/zinc/30/38/63/167303863.db2.gz OGBSZFSICVMAKK-GFCCVEGCSA-N 2 2 236.359 2.253 20 0 BEADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000683141371 487619981 /nfs/dbraw/zinc/61/99/81/487619981.db2.gz GVYDUPUXCWRRQY-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000683141371 487619986 /nfs/dbraw/zinc/61/99/86/487619986.db2.gz GVYDUPUXCWRRQY-STQMWFEESA-N 2 2 230.371 2.398 20 0 BEADLP c1cc2c(c(C[NH2+]CC[NH+]3CCCC3)c1)CCC2 ZINC000651749986 411141016 /nfs/dbraw/zinc/14/10/16/411141016.db2.gz QYOVUTWTTMQMPJ-UHFFFAOYSA-N 2 2 244.382 2.361 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCCC[C@@H]1C)[NH+](C)C ZINC000651822860 411146095 /nfs/dbraw/zinc/14/60/95/411146095.db2.gz MEVSKIHYVIXUEU-RWMBFGLXSA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911597 411150153 /nfs/dbraw/zinc/15/01/53/411150153.db2.gz KXQYGQYBXMEVHC-XQHKEYJVSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000651911597 411150154 /nfs/dbraw/zinc/15/01/54/411150154.db2.gz KXQYGQYBXMEVHC-XQHKEYJVSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H](c1ccccn1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655942643 411161313 /nfs/dbraw/zinc/16/13/13/411161313.db2.gz WPMPAYMTRDBGOB-DNOWBOINSA-N 2 2 245.370 2.346 20 0 BEADLP C[C@H](c1ccccn1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000655942643 411161314 /nfs/dbraw/zinc/16/13/14/411161314.db2.gz WPMPAYMTRDBGOB-DNOWBOINSA-N 2 2 245.370 2.346 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091076 411242732 /nfs/dbraw/zinc/24/27/32/411242732.db2.gz KTLYZRCSZTUTCP-NWDGAFQWSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091076 411242733 /nfs/dbraw/zinc/24/27/33/411242733.db2.gz KTLYZRCSZTUTCP-NWDGAFQWSA-N 2 2 212.381 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H]1C ZINC000658095497 411243769 /nfs/dbraw/zinc/24/37/69/411243769.db2.gz ILLUCMSZIXPBHL-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)[C@@H]1C ZINC000658095497 411243770 /nfs/dbraw/zinc/24/37/70/411243770.db2.gz ILLUCMSZIXPBHL-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000656200269 411204348 /nfs/dbraw/zinc/20/43/48/411204348.db2.gz KPPPVYMSJIIUMY-RISCZKNCSA-N 2 2 248.370 2.091 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000656201407 411206406 /nfs/dbraw/zinc/20/64/06/411206406.db2.gz WYLGIZXXYWMVBW-GXTWGEPZSA-N 2 2 248.370 2.234 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223539683 411208087 /nfs/dbraw/zinc/20/80/87/411208087.db2.gz PNDDAGVYORALHA-NQBHXWOUSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223539683 411208089 /nfs/dbraw/zinc/20/80/89/411208089.db2.gz PNDDAGVYORALHA-NQBHXWOUSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000652350214 411210883 /nfs/dbraw/zinc/21/08/83/411210883.db2.gz MIMJFJMXPQRFQY-FZMZJTMJSA-N 2 2 236.334 2.136 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000652350214 411210885 /nfs/dbraw/zinc/21/08/85/411210885.db2.gz MIMJFJMXPQRFQY-FZMZJTMJSA-N 2 2 236.334 2.136 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658053870 411221229 /nfs/dbraw/zinc/22/12/29/411221229.db2.gz BSNNXKPHTWBHAI-RYUDHWBXSA-N 2 2 212.381 2.493 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658053870 411221232 /nfs/dbraw/zinc/22/12/32/411221232.db2.gz BSNNXKPHTWBHAI-RYUDHWBXSA-N 2 2 212.381 2.493 20 0 BEADLP CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655680293 411222952 /nfs/dbraw/zinc/22/29/52/411222952.db2.gz JBJWXZMEWWYCFM-JSGCOSHPSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccc(CCC[N@@H+](C[C@@H](C)O)C2CC2)c[nH+]1 ZINC000656280300 411226217 /nfs/dbraw/zinc/22/62/17/411226217.db2.gz YWDGGLVRTQRPKX-CYBMUJFWSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@H+](C[C@@H](C)O)C2CC2)c[nH+]1 ZINC000656280300 411226219 /nfs/dbraw/zinc/22/62/19/411226219.db2.gz YWDGGLVRTQRPKX-CYBMUJFWSA-N 2 2 248.370 2.168 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H]1C ZINC000658060112 411226300 /nfs/dbraw/zinc/22/63/00/411226300.db2.gz JRZNXDGDQUVOTL-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)[C@@H]1C ZINC000658060112 411226304 /nfs/dbraw/zinc/22/63/04/411226304.db2.gz JRZNXDGDQUVOTL-LPWJVIDDSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H]1C ZINC000658060114 411226329 /nfs/dbraw/zinc/22/63/29/411226329.db2.gz JRZNXDGDQUVOTL-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H]1C ZINC000658060114 411226333 /nfs/dbraw/zinc/22/63/33/411226333.db2.gz JRZNXDGDQUVOTL-NDBYEHHHSA-N 2 2 224.392 2.493 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000658059441 411226459 /nfs/dbraw/zinc/22/64/59/411226459.db2.gz JJXIXIIEAKMPQL-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000658059441 411226462 /nfs/dbraw/zinc/22/64/62/411226462.db2.gz JJXIXIIEAKMPQL-NWDGAFQWSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000658059440 411226558 /nfs/dbraw/zinc/22/65/58/411226558.db2.gz JJXIXIIEAKMPQL-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000658059440 411226561 /nfs/dbraw/zinc/22/65/61/411226561.db2.gz JJXIXIIEAKMPQL-NEPJUHHUSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc(CCC[N@@H+](C[C@H](C)O)C2CC2)c[nH+]1 ZINC000656280301 411226636 /nfs/dbraw/zinc/22/66/36/411226636.db2.gz YWDGGLVRTQRPKX-ZDUSSCGKSA-N 2 2 248.370 2.168 20 0 BEADLP Cc1ccc(CCC[N@H+](C[C@H](C)O)C2CC2)c[nH+]1 ZINC000656280301 411226638 /nfs/dbraw/zinc/22/66/38/411226638.db2.gz YWDGGLVRTQRPKX-ZDUSSCGKSA-N 2 2 248.370 2.168 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658062575 411227701 /nfs/dbraw/zinc/22/77/01/411227701.db2.gz SNKJVUHAUNGSCD-VXGBXAGGSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658062575 411227705 /nfs/dbraw/zinc/22/77/05/411227705.db2.gz SNKJVUHAUNGSCD-VXGBXAGGSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658062570 411227906 /nfs/dbraw/zinc/22/79/06/411227906.db2.gz SNKJVUHAUNGSCD-RYUDHWBXSA-N 2 2 242.407 2.262 20 0 BEADLP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658062570 411227909 /nfs/dbraw/zinc/22/79/09/411227909.db2.gz SNKJVUHAUNGSCD-RYUDHWBXSA-N 2 2 242.407 2.262 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423306999 411237821 /nfs/dbraw/zinc/23/78/21/411237821.db2.gz GAOUDNFAMZLYCB-GFCCVEGCSA-N 2 2 248.370 2.367 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655693266 411239039 /nfs/dbraw/zinc/23/90/39/411239039.db2.gz VYFBRKJWNKGNPK-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655693266 411239042 /nfs/dbraw/zinc/23/90/42/411239042.db2.gz VYFBRKJWNKGNPK-RWMBFGLXSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000658089638 411241048 /nfs/dbraw/zinc/24/10/48/411241048.db2.gz ANTXZUYZNFKLEI-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000658089638 411241050 /nfs/dbraw/zinc/24/10/50/411241050.db2.gz ANTXZUYZNFKLEI-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655718782 411279627 /nfs/dbraw/zinc/27/96/27/411279627.db2.gz MTVJPULHBWRYCF-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655718782 411279629 /nfs/dbraw/zinc/27/96/29/411279629.db2.gz MTVJPULHBWRYCF-JHJVBQTASA-N 2 2 242.432 2.202 20 0 BEADLP C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000051890063 411285017 /nfs/dbraw/zinc/28/50/17/411285017.db2.gz VGQRJSMJVSDALJ-NSHDSACASA-N 2 2 238.762 2.381 20 0 BEADLP C[N@H+](Cc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000051890063 411285020 /nfs/dbraw/zinc/28/50/20/411285020.db2.gz VGQRJSMJVSDALJ-NSHDSACASA-N 2 2 238.762 2.381 20 0 BEADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000658192422 411288183 /nfs/dbraw/zinc/28/81/83/411288183.db2.gz JTKMVXAOJSWJKQ-JQWIXIFHSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(C)(C)F ZINC000658192422 411288184 /nfs/dbraw/zinc/28/81/84/411288184.db2.gz JTKMVXAOJSWJKQ-JQWIXIFHSA-N 2 2 228.355 2.197 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)c1ccccc1 ZINC000401700704 411289520 /nfs/dbraw/zinc/28/95/20/411289520.db2.gz OJZGIZWUCRIJGV-OBJOEFQTSA-N 2 2 218.344 2.335 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@]2(C)CC2(C)C)C[N@@H+]1C1CC1 ZINC000658309694 411330621 /nfs/dbraw/zinc/33/06/21/411330621.db2.gz XWYHCRDIFSIXFR-UHIISALHSA-N 2 2 222.376 2.390 20 0 BEADLP C[C@@H]1C[C@H]([NH2+][C@]2(C)CC2(C)C)C[N@H+]1C1CC1 ZINC000658309694 411330626 /nfs/dbraw/zinc/33/06/26/411330626.db2.gz XWYHCRDIFSIXFR-UHIISALHSA-N 2 2 222.376 2.390 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658284450 411322351 /nfs/dbraw/zinc/32/23/51/411322351.db2.gz GKAYZJZWGPUJMT-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658284450 411322352 /nfs/dbraw/zinc/32/23/52/411322352.db2.gz GKAYZJZWGPUJMT-STQMWFEESA-N 2 2 222.376 2.393 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccoc2)C1 ZINC000658284266 411322781 /nfs/dbraw/zinc/32/27/81/411322781.db2.gz FGHXMSHNCAUGME-TZMCWYRMSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccoc2)C1 ZINC000658284266 411322784 /nfs/dbraw/zinc/32/27/84/411322784.db2.gz FGHXMSHNCAUGME-TZMCWYRMSA-N 2 2 236.359 2.285 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658286374 411323129 /nfs/dbraw/zinc/32/31/29/411323129.db2.gz RUUHNAQMBDKBIK-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658286374 411323131 /nfs/dbraw/zinc/32/31/31/411323131.db2.gz RUUHNAQMBDKBIK-CHWSQXEVSA-N 2 2 242.432 2.346 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658287503 411323779 /nfs/dbraw/zinc/32/37/79/411323779.db2.gz ZKVZSAFQNLLGAM-DGAVXFQQSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658287503 411323781 /nfs/dbraw/zinc/32/37/81/411323781.db2.gz ZKVZSAFQNLLGAM-DGAVXFQQSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000658287211 411323894 /nfs/dbraw/zinc/32/38/94/411323894.db2.gz XGWXLWVFYDKUSZ-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000658287211 411323897 /nfs/dbraw/zinc/32/38/97/411323897.db2.gz XGWXLWVFYDKUSZ-MELADBBJSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293263 411326176 /nfs/dbraw/zinc/32/61/76/411326176.db2.gz LAYCDOUFJBUDDA-AYZDXNEBSA-N 2 2 242.382 2.443 20 0 BEADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCC(F)CC1 ZINC000658293263 411326177 /nfs/dbraw/zinc/32/61/77/411326177.db2.gz LAYCDOUFJBUDDA-AYZDXNEBSA-N 2 2 242.382 2.443 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000656441911 411261047 /nfs/dbraw/zinc/26/10/47/411261047.db2.gz IEBGBCQIKBODQY-GFCCVEGCSA-N 2 2 245.326 2.045 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000656441911 411261048 /nfs/dbraw/zinc/26/10/48/411261048.db2.gz IEBGBCQIKBODQY-GFCCVEGCSA-N 2 2 245.326 2.045 20 0 BEADLP FC1(F)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000313279743 411373269 /nfs/dbraw/zinc/37/32/69/411373269.db2.gz JSYMQZBMNRKMIR-UHFFFAOYSA-N 2 2 232.318 2.107 20 0 BEADLP C[N@H+](C/C=C\c1ccccc1)CC(C)(C)[NH3+] ZINC000656782356 411360146 /nfs/dbraw/zinc/36/01/46/411360146.db2.gz FIWKDCDSTFDYMT-YFHOEESVSA-N 2 2 218.344 2.369 20 0 BEADLP C[N@@H+](C/C=C\c1ccccc1)CC(C)(C)[NH3+] ZINC000656782356 411360148 /nfs/dbraw/zinc/36/01/48/411360148.db2.gz FIWKDCDSTFDYMT-YFHOEESVSA-N 2 2 218.344 2.369 20 0 BEADLP FC1(F)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000313279743 411373273 /nfs/dbraw/zinc/37/32/73/411373273.db2.gz JSYMQZBMNRKMIR-UHFFFAOYSA-N 2 2 232.318 2.107 20 0 BEADLP C[C@@H]1CCC[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784637 411360864 /nfs/dbraw/zinc/36/08/64/411360864.db2.gz GHOTVCTVGXDPQS-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP C[C@@H]1CCC[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1 ZINC000656784637 411360867 /nfs/dbraw/zinc/36/08/67/411360867.db2.gz GHOTVCTVGXDPQS-NEPJUHHUSA-N 2 2 212.381 2.482 20 0 BEADLP c1cc(CCC[N@@H+]2CCn3c[nH+]cc3C2)cs1 ZINC000660582548 411336517 /nfs/dbraw/zinc/33/65/17/411336517.db2.gz VXWHLDYWYBBMTC-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP c1cc(CCC[N@H+]2CCn3c[nH+]cc3C2)cs1 ZINC000660582548 411336520 /nfs/dbraw/zinc/33/65/20/411336520.db2.gz VXWHLDYWYBBMTC-UHFFFAOYSA-N 2 2 247.367 2.393 20 0 BEADLP CC[C@@H](C)C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000373165182 411342852 /nfs/dbraw/zinc/34/28/52/411342852.db2.gz HEXXDYCVRCTPBO-GFCCVEGCSA-N 2 2 244.342 2.403 20 0 BEADLP CC1CC([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000309359027 168145998 /nfs/dbraw/zinc/14/59/98/168145998.db2.gz AEXHZCMORNCLMH-BPCQOVAHSA-N 2 2 224.392 2.495 20 0 BEADLP CC1CC([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000309359027 168146002 /nfs/dbraw/zinc/14/60/02/168146002.db2.gz AEXHZCMORNCLMH-BPCQOVAHSA-N 2 2 224.392 2.495 20 0 BEADLP CC1CCC([N@@H+]2CC[NH2+][C@H](C)CC2)CC1 ZINC000049661742 168159393 /nfs/dbraw/zinc/15/93/93/168159393.db2.gz IVDSOUNOYLDPKU-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([N@H+]2CC[NH2+][C@H](C)CC2)CC1 ZINC000049661742 168159395 /nfs/dbraw/zinc/15/93/95/168159395.db2.gz IVDSOUNOYLDPKU-OTTFEQOBSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000336751638 168165257 /nfs/dbraw/zinc/16/52/57/168165257.db2.gz GODSGZHAAVXPRL-MVKMKZAISA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000336751638 168165259 /nfs/dbraw/zinc/16/52/59/168165259.db2.gz GODSGZHAAVXPRL-MVKMKZAISA-N 2 2 210.365 2.105 20 0 BEADLP CC1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000040671725 168165500 /nfs/dbraw/zinc/16/55/00/168165500.db2.gz GBLIKIJJPZYQAK-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671725 168165504 /nfs/dbraw/zinc/16/55/04/168165504.db2.gz GBLIKIJJPZYQAK-BPCQOVAHSA-N 2 2 210.365 2.249 20 0 BEADLP CC1CC[NH+](CC[NH2+]CC(C)(C)C)CC1 ZINC000041051487 168180384 /nfs/dbraw/zinc/18/03/84/168180384.db2.gz LMEVPDUKIGUDRG-UHFFFAOYSA-N 2 2 212.381 2.354 20 0 BEADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000337667838 168180683 /nfs/dbraw/zinc/18/06/83/168180683.db2.gz UJBVGVLIMSZVJQ-RRFJBIMHSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1CSC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000304570520 168181424 /nfs/dbraw/zinc/18/14/24/168181424.db2.gz WYTCSBOEQVUHPM-OLZOCXBDSA-N 2 2 242.432 2.059 20 0 BEADLP C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000309778674 168185334 /nfs/dbraw/zinc/18/53/34/168185334.db2.gz QLLZJJUXLYHRDC-BFHYXJOUSA-N 2 2 224.392 2.352 20 0 BEADLP CCC(=O)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000294965819 168198852 /nfs/dbraw/zinc/19/88/52/168198852.db2.gz NUBXGYOCTGECIU-GFCCVEGCSA-N 2 2 249.358 2.348 20 0 BEADLP CCC(=O)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000294965819 168198853 /nfs/dbraw/zinc/19/88/53/168198853.db2.gz NUBXGYOCTGECIU-GFCCVEGCSA-N 2 2 249.358 2.348 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2cscn2)[C@H]1CC[NH3+] ZINC000404370231 411392586 /nfs/dbraw/zinc/39/25/86/411392586.db2.gz IQBIRJULGGQYLJ-PWSUYJOCSA-N 2 2 239.388 2.092 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2cscn2)[C@H]1CC[NH3+] ZINC000404370231 411392590 /nfs/dbraw/zinc/39/25/90/411392590.db2.gz IQBIRJULGGQYLJ-PWSUYJOCSA-N 2 2 239.388 2.092 20 0 BEADLP CC1(C)C[C@H]([NH2+]CC[NH+]2CCCCC2)CCO1 ZINC000070360178 411408190 /nfs/dbraw/zinc/40/81/90/411408190.db2.gz MJBSHBZOWKACAL-CYBMUJFWSA-N 2 2 240.391 2.020 20 0 BEADLP Cc1ccc(NCc2c[nH+]c3n2CCC3)[nH+]c1 ZINC000657319813 411461884 /nfs/dbraw/zinc/46/18/84/411461884.db2.gz PATNNMPQKZFXGJ-UHFFFAOYSA-N 2 2 228.299 2.145 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CC[N@H+](CC)C2CC2)CCO1 ZINC000217514610 411439483 /nfs/dbraw/zinc/43/94/83/411439483.db2.gz GSMYBZGDQNVWRH-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@H]1C[C@H]([NH2+]CC[N@@H+](CC)C2CC2)CCO1 ZINC000217514610 411439485 /nfs/dbraw/zinc/43/94/85/411439485.db2.gz GSMYBZGDQNVWRH-OCCSQVGLSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)C2CC2)CCO1 ZINC000217514369 411439639 /nfs/dbraw/zinc/43/96/39/411439639.db2.gz GSMYBZGDQNVWRH-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP CC[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)CCO1 ZINC000217514369 411439640 /nfs/dbraw/zinc/43/96/40/411439640.db2.gz GSMYBZGDQNVWRH-GXTWGEPZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323796 411463482 /nfs/dbraw/zinc/46/34/82/411463482.db2.gz AGKAEZZMUCJZLN-XGUBFFRZSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000657323796 411463483 /nfs/dbraw/zinc/46/34/83/411463483.db2.gz AGKAEZZMUCJZLN-XGUBFFRZSA-N 2 2 236.403 2.497 20 0 BEADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccnn1C(C)C ZINC000414817566 411447199 /nfs/dbraw/zinc/44/71/99/411447199.db2.gz SMSBVXBOTNUYAM-GFCCVEGCSA-N 2 2 238.379 2.071 20 0 BEADLP c1csc(CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657290105 411451451 /nfs/dbraw/zinc/45/14/51/411451451.db2.gz WSHPTZBJTAFGKX-UHFFFAOYSA-N 2 2 247.367 2.223 20 0 BEADLP Cc1ccsc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657331718 411468666 /nfs/dbraw/zinc/46/86/66/411468666.db2.gz MONIPAYWVURKKY-UHFFFAOYSA-N 2 2 247.367 2.489 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC1(F)F ZINC000638582204 411477574 /nfs/dbraw/zinc/47/75/74/411477574.db2.gz JLGKNKPGGMRMAD-ZMLRMANQSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC1(F)F ZINC000638582204 411477577 /nfs/dbraw/zinc/47/75/77/411477577.db2.gz JLGKNKPGGMRMAD-ZMLRMANQSA-N 2 2 244.329 2.104 20 0 BEADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657355244 411477881 /nfs/dbraw/zinc/47/78/81/411477881.db2.gz HDFFISBYAUWXOX-HAQNSBGRSA-N 2 2 233.359 2.498 20 0 BEADLP CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657375301 411482996 /nfs/dbraw/zinc/48/29/96/411482996.db2.gz GHUVTUCIBVEPIP-UHFFFAOYSA-N 2 2 219.332 2.108 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]CC(C1CC1)C1CC1)CCC2 ZINC000657379217 411487210 /nfs/dbraw/zinc/48/72/10/411487210.db2.gz YRBKRFNJTPJBBR-UHFFFAOYSA-N 2 2 245.370 2.355 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000659882574 411489338 /nfs/dbraw/zinc/48/93/38/411489338.db2.gz JANDDYNFXKFNJF-MCIONIFRSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000659882574 411489341 /nfs/dbraw/zinc/48/93/41/411489341.db2.gz JANDDYNFXKFNJF-MCIONIFRSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000659882576 411489563 /nfs/dbraw/zinc/48/95/63/411489563.db2.gz JANDDYNFXKFNJF-MGPQQGTHSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000659882576 411489565 /nfs/dbraw/zinc/48/95/65/411489565.db2.gz JANDDYNFXKFNJF-MGPQQGTHSA-N 2 2 249.358 2.088 20 0 BEADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000415089119 411490870 /nfs/dbraw/zinc/49/08/70/411490870.db2.gz MSPMUCDUUJXQJL-ZLDLUXBVSA-N 2 2 230.355 2.262 20 0 BEADLP CCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657392269 411492858 /nfs/dbraw/zinc/49/28/58/411492858.db2.gz SZSZKKRQHZLXEH-UHFFFAOYSA-N 2 2 233.359 2.499 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2CCC2)n1C ZINC000657417294 411501256 /nfs/dbraw/zinc/50/12/56/411501256.db2.gz LSUFHVWEWFOMBZ-SECBINFHSA-N 2 2 207.321 2.007 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)CCC2 ZINC000657492662 411534283 /nfs/dbraw/zinc/53/42/83/411534283.db2.gz ZHQMTAHHCOJHCZ-KGYLQXTDSA-N 2 2 231.343 2.108 20 0 BEADLP C[NH+](C)C1CC([NH2+]Cc2cc3ccccc3[nH]2)C1 ZINC000655792355 411515253 /nfs/dbraw/zinc/51/52/53/411515253.db2.gz CIGYGOMEEBOVPL-UHFFFAOYSA-N 2 2 243.354 2.350 20 0 BEADLP C[C@H]1CC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657456894 411515287 /nfs/dbraw/zinc/51/52/87/411515287.db2.gz ASZRRSKKLPQJBX-RYUDHWBXSA-N 2 2 233.359 2.355 20 0 BEADLP FC1(CC[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657467422 411521172 /nfs/dbraw/zinc/52/11/72/411521172.db2.gz LOTFGBRXRCDBDQ-UHFFFAOYSA-N 2 2 237.322 2.201 20 0 BEADLP C[C@@H]1C[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000659999578 411525512 /nfs/dbraw/zinc/52/55/12/411525512.db2.gz SRNKHBQTGQMFCL-TZMCWYRMSA-N 2 2 249.358 2.088 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000655811886 411525750 /nfs/dbraw/zinc/52/57/50/411525750.db2.gz XPEBAQHVPWYEJQ-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP COc1c(C)cccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000655811886 411525752 /nfs/dbraw/zinc/52/57/52/411525752.db2.gz XPEBAQHVPWYEJQ-GXTWGEPZSA-N 2 2 248.370 2.043 20 0 BEADLP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657482943 411528844 /nfs/dbraw/zinc/52/88/44/411528844.db2.gz JSIBKKAXUWCSMQ-AAEUAGOBSA-N 2 2 233.359 2.211 20 0 BEADLP c1[nH+]c2n(c1C[NH2+][C@H](C1CC1)C1CCC1)CCC2 ZINC000657486988 411530577 /nfs/dbraw/zinc/53/05/77/411530577.db2.gz FABKBJIQEHLESH-HNNXBMFYSA-N 2 2 245.370 2.498 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccncc2)C[C@H]1C ZINC000353751788 170009645 /nfs/dbraw/zinc/00/96/45/170009645.db2.gz KGCLTBACXINFLE-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccncc2)C[C@H]1C ZINC000353751788 170009647 /nfs/dbraw/zinc/00/96/47/170009647.db2.gz KGCLTBACXINFLE-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccncc2)C[C@H]1C ZINC000353751788 170009648 /nfs/dbraw/zinc/00/96/48/170009648.db2.gz KGCLTBACXINFLE-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccncc2)C[C@H]1C ZINC000353751788 170009649 /nfs/dbraw/zinc/00/96/49/170009649.db2.gz KGCLTBACXINFLE-UKRRQHHQSA-N 2 2 247.386 2.386 20 0 BEADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000336899510 170014723 /nfs/dbraw/zinc/01/47/23/170014723.db2.gz REGMUYMLLHFGBN-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000336899510 170014726 /nfs/dbraw/zinc/01/47/26/170014726.db2.gz REGMUYMLLHFGBN-NEPJUHHUSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246668999 170017182 /nfs/dbraw/zinc/01/71/82/170017182.db2.gz APLJEGWVJFUQMX-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nccs2)C1 ZINC000246668999 170017184 /nfs/dbraw/zinc/01/71/84/170017184.db2.gz APLJEGWVJFUQMX-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP Cc1c[nH+]c(C)c(NCc2c[nH+]c3n2CCC3)c1 ZINC000657500726 411538627 /nfs/dbraw/zinc/53/86/27/411538627.db2.gz LRRYOKPXOWUBCY-UHFFFAOYSA-N 2 2 242.326 2.453 20 0 BEADLP Cn1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857740 411538810 /nfs/dbraw/zinc/53/88/10/411538810.db2.gz VCSWTZVEFDXMPL-LSDHHAIUSA-N 2 2 247.386 2.132 20 0 BEADLP Cn1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857740 411538812 /nfs/dbraw/zinc/53/88/12/411538812.db2.gz VCSWTZVEFDXMPL-LSDHHAIUSA-N 2 2 247.386 2.132 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000336901533 170020146 /nfs/dbraw/zinc/02/01/46/170020146.db2.gz SVFPOOBVFGNZOW-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000336901533 170020148 /nfs/dbraw/zinc/02/01/48/170020148.db2.gz SVFPOOBVFGNZOW-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000328395729 170021452 /nfs/dbraw/zinc/02/14/52/170021452.db2.gz YYURWDGHNKAWAM-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000328395729 170021453 /nfs/dbraw/zinc/02/14/53/170021453.db2.gz YYURWDGHNKAWAM-ZDUSSCGKSA-N 2 2 222.307 2.010 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000336899512 170023039 /nfs/dbraw/zinc/02/30/39/170023039.db2.gz REGMUYMLLHFGBN-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000336899512 170023040 /nfs/dbraw/zinc/02/30/40/170023040.db2.gz REGMUYMLLHFGBN-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328393384 170023128 /nfs/dbraw/zinc/02/31/28/170023128.db2.gz YNPYQIWFDXYXNP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328393384 170023130 /nfs/dbraw/zinc/02/31/30/170023130.db2.gz YNPYQIWFDXYXNP-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccn1 ZINC000177344627 170023598 /nfs/dbraw/zinc/02/35/98/170023598.db2.gz VLADQBMMAGKPQT-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccn1 ZINC000177344627 170023599 /nfs/dbraw/zinc/02/35/99/170023599.db2.gz VLADQBMMAGKPQT-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC000177344627 170023600 /nfs/dbraw/zinc/02/36/00/170023600.db2.gz VLADQBMMAGKPQT-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC000177344627 170023601 /nfs/dbraw/zinc/02/36/01/170023601.db2.gz VLADQBMMAGKPQT-CABCVRRESA-N 2 2 245.370 2.140 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC=C(C)C)C1 ZINC000309060745 170030248 /nfs/dbraw/zinc/03/02/48/170030248.db2.gz WKSMVFLSYNZIEL-OLZOCXBDSA-N 2 2 210.365 2.273 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC=C(C)C)C1 ZINC000309060745 170030250 /nfs/dbraw/zinc/03/02/50/170030250.db2.gz WKSMVFLSYNZIEL-OLZOCXBDSA-N 2 2 210.365 2.273 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccsc2)C1 ZINC000336778780 170031795 /nfs/dbraw/zinc/03/17/95/170031795.db2.gz MIGQMSORBUHCAQ-DGCLKSJQSA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccsc2)C1 ZINC000336778780 170031797 /nfs/dbraw/zinc/03/17/97/170031797.db2.gz MIGQMSORBUHCAQ-DGCLKSJQSA-N 2 2 238.400 2.220 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000309927305 170031810 /nfs/dbraw/zinc/03/18/10/170031810.db2.gz VYXWXUGZXOAVPJ-DGCLKSJQSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000309927305 170031812 /nfs/dbraw/zinc/03/18/12/170031812.db2.gz VYXWXUGZXOAVPJ-DGCLKSJQSA-N 2 2 222.376 2.106 20 0 BEADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000339791959 170031851 /nfs/dbraw/zinc/03/18/51/170031851.db2.gz KZRMNBJRLDSZJR-FEWQNLEASA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000339791959 170031852 /nfs/dbraw/zinc/03/18/52/170031852.db2.gz KZRMNBJRLDSZJR-FEWQNLEASA-N 2 2 236.403 2.497 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)C2CCCC2)[C@@H](C)C1 ZINC000336782590 170037091 /nfs/dbraw/zinc/03/70/91/170037091.db2.gz YDCFSQBHCHZUSN-SCRDCRAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)C2CCCC2)[C@@H](C)C1 ZINC000336782590 170037092 /nfs/dbraw/zinc/03/70/92/170037092.db2.gz YDCFSQBHCHZUSN-SCRDCRAPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358283821 170037643 /nfs/dbraw/zinc/03/76/43/170037643.db2.gz DKNCPJZMQULDET-SRVKXCTJSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358283821 170037644 /nfs/dbraw/zinc/03/76/44/170037644.db2.gz DKNCPJZMQULDET-SRVKXCTJSA-N 2 2 246.345 2.494 20 0 BEADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C)C1 ZINC000309916659 170039071 /nfs/dbraw/zinc/03/90/71/170039071.db2.gz PSPDHJMFVUFDHD-XDQVBPFNSA-N 2 2 224.392 2.352 20 0 BEADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C)C1 ZINC000309916659 170039073 /nfs/dbraw/zinc/03/90/73/170039073.db2.gz PSPDHJMFVUFDHD-XDQVBPFNSA-N 2 2 224.392 2.352 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524313 411541437 /nfs/dbraw/zinc/54/14/37/411541437.db2.gz KEMQRBFGVZMLNW-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524313 411541439 /nfs/dbraw/zinc/54/14/39/411541439.db2.gz KEMQRBFGVZMLNW-AWEZNQCLSA-N 2 2 247.386 2.352 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCSCC1 ZINC000657523426 411541826 /nfs/dbraw/zinc/54/18/26/411541826.db2.gz IBQUEDUGPYREBN-LBPRGKRZSA-N 2 2 242.432 2.344 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCSCC1 ZINC000657523426 411541827 /nfs/dbraw/zinc/54/18/27/411541827.db2.gz IBQUEDUGPYREBN-LBPRGKRZSA-N 2 2 242.432 2.344 20 0 BEADLP c1[nH+]c2n(c1C[NH2+]C1(C3CCC3)CC1)CCC2 ZINC000657499650 411536371 /nfs/dbraw/zinc/53/63/71/411536371.db2.gz APTQCVBNEYVYFE-UHFFFAOYSA-N 2 2 231.343 2.252 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn[nH]c1 ZINC000655849148 411536753 /nfs/dbraw/zinc/53/67/53/411536753.db2.gz PNHHHIVCUOWFJE-FPMFFAJLSA-N 2 2 248.374 2.077 20 0 BEADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cn[nH]c1 ZINC000655849148 411536755 /nfs/dbraw/zinc/53/67/55/411536755.db2.gz PNHHHIVCUOWFJE-FPMFFAJLSA-N 2 2 248.374 2.077 20 0 BEADLP CCOC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849727 411538247 /nfs/dbraw/zinc/53/82/47/411538247.db2.gz YHDFVWYEQJAZBW-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849727 411538250 /nfs/dbraw/zinc/53/82/50/411538250.db2.gz YHDFVWYEQJAZBW-BFHYXJOUSA-N 2 2 240.391 2.018 20 0 BEADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660149329 411546168 /nfs/dbraw/zinc/54/61/68/411546168.db2.gz QEYQOGYXFRDMLQ-BTTYYORXSA-N 2 2 233.359 2.251 20 0 BEADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660149329 411546170 /nfs/dbraw/zinc/54/61/70/411546170.db2.gz QEYQOGYXFRDMLQ-BTTYYORXSA-N 2 2 233.359 2.251 20 0 BEADLP Cc1nocc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000660166624 411550376 /nfs/dbraw/zinc/55/03/76/411550376.db2.gz ARVKNRGMTGCJQE-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP Cc1nocc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000660166624 411550378 /nfs/dbraw/zinc/55/03/78/411550378.db2.gz ARVKNRGMTGCJQE-UHFFFAOYSA-N 2 2 249.358 2.043 20 0 BEADLP CC[C@H](C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000657586137 411557278 /nfs/dbraw/zinc/55/72/78/411557278.db2.gz IGENDQWQABXAKU-JTQLQIEISA-N 2 2 209.337 2.254 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000657642737 411569413 /nfs/dbraw/zinc/56/94/13/411569413.db2.gz IFQGRSBOCQIAND-NILFDRSVSA-N 2 2 230.355 2.214 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000657642737 411569415 /nfs/dbraw/zinc/56/94/15/411569415.db2.gz IFQGRSBOCQIAND-NILFDRSVSA-N 2 2 230.355 2.214 20 0 BEADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)n1C ZINC000657739613 411589132 /nfs/dbraw/zinc/58/91/32/411589132.db2.gz UHGOZEXAOXHZCV-SNVBAGLBSA-N 2 2 243.301 2.109 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@@H+]1C1CC1 ZINC000657783489 411595090 /nfs/dbraw/zinc/59/50/90/411595090.db2.gz TWRGGPKNRQEYDV-OLZOCXBDSA-N 2 2 248.370 2.427 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCCc2ccco2)C[N@H+]1C1CC1 ZINC000657783489 411595092 /nfs/dbraw/zinc/59/50/92/411595092.db2.gz TWRGGPKNRQEYDV-OLZOCXBDSA-N 2 2 248.370 2.427 20 0 BEADLP c1[nH+]cn2c1C[N@H+]([C@H]1C[C@H]1c1ccccc1)CC2 ZINC000660582577 411602983 /nfs/dbraw/zinc/60/29/83/411602983.db2.gz WDCJQBYWCOBRGP-GJZGRUSLSA-N 2 2 239.322 2.255 20 0 BEADLP c1[nH+]cn2c1C[N@@H+]([C@H]1C[C@H]1c1ccccc1)CC2 ZINC000660582577 411602985 /nfs/dbraw/zinc/60/29/85/411602985.db2.gz WDCJQBYWCOBRGP-GJZGRUSLSA-N 2 2 239.322 2.255 20 0 BEADLP c1[nH+]cn2c1C[N@H+](CCC1CCCC1)CC2 ZINC000660578433 411603451 /nfs/dbraw/zinc/60/34/51/411603451.db2.gz PHZKRKMXIFVBSP-UHFFFAOYSA-N 2 2 219.332 2.279 20 0 BEADLP c1[nH+]cn2c1C[N@@H+](CCC1CCCC1)CC2 ZINC000660578433 411603452 /nfs/dbraw/zinc/60/34/52/411603452.db2.gz PHZKRKMXIFVBSP-UHFFFAOYSA-N 2 2 219.332 2.279 20 0 BEADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000657822146 411606837 /nfs/dbraw/zinc/60/68/37/411606837.db2.gz WKQHFZSBYLVXGC-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000657822146 411606838 /nfs/dbraw/zinc/60/68/38/411606838.db2.gz WKQHFZSBYLVXGC-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000657845404 411610746 /nfs/dbraw/zinc/61/07/46/411610746.db2.gz NWOJXOMEGVWVJT-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP CCOC1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000657845404 411610747 /nfs/dbraw/zinc/61/07/47/411610747.db2.gz NWOJXOMEGVWVJT-MOKVOYLWSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C)[NH+](C)C ZINC000657871460 411613997 /nfs/dbraw/zinc/61/39/97/411613997.db2.gz LHRDHQDJFJWNOO-NDBYEHHHSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)[N@H+](C)C1CC1 ZINC000657874220 411615140 /nfs/dbraw/zinc/61/51/40/411615140.db2.gz YPWDRBYHCSFGLA-JTQLQIEISA-N 2 2 246.345 2.147 20 0 BEADLP C[C@@H](C[NH2+]C1CC(CF)(CF)C1)[N@@H+](C)C1CC1 ZINC000657874220 411615142 /nfs/dbraw/zinc/61/51/42/411615142.db2.gz YPWDRBYHCSFGLA-JTQLQIEISA-N 2 2 246.345 2.147 20 0 BEADLP C1CC1[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657872524 411615146 /nfs/dbraw/zinc/61/51/46/411615146.db2.gz QOAIAFGLIBOXBC-VXGBXAGGSA-N 2 2 240.416 2.098 20 0 BEADLP C1CC1[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657872524 411615148 /nfs/dbraw/zinc/61/51/48/411615148.db2.gz QOAIAFGLIBOXBC-VXGBXAGGSA-N 2 2 240.416 2.098 20 0 BEADLP C1CC1[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657872521 411615190 /nfs/dbraw/zinc/61/51/90/411615190.db2.gz QOAIAFGLIBOXBC-NEPJUHHUSA-N 2 2 240.416 2.098 20 0 BEADLP C1CC1[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000657872521 411615192 /nfs/dbraw/zinc/61/51/92/411615192.db2.gz QOAIAFGLIBOXBC-NEPJUHHUSA-N 2 2 240.416 2.098 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[NH+](C)C ZINC000657873826 411615208 /nfs/dbraw/zinc/61/52/08/411615208.db2.gz ZIQJXCCFZZGNOD-RKDXNWHRSA-N 2 2 222.323 2.206 20 0 BEADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000657875572 411615446 /nfs/dbraw/zinc/61/54/46/411615446.db2.gz GXLYEHCFNJAVJF-KGLIPLIRSA-N 2 2 234.387 2.393 20 0 BEADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000657875572 411615447 /nfs/dbraw/zinc/61/54/47/411615447.db2.gz GXLYEHCFNJAVJF-KGLIPLIRSA-N 2 2 234.387 2.393 20 0 BEADLP CC[C@@H](C)[N@H+](CC)CCCn1cc[nH+]c1 ZINC000661103801 411707310 /nfs/dbraw/zinc/70/73/10/411707310.db2.gz CFRNTCHOUUDXAY-GFCCVEGCSA-N 2 2 209.337 2.394 20 0 BEADLP CC[C@@H](C)[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000661103801 411707314 /nfs/dbraw/zinc/70/73/14/411707314.db2.gz CFRNTCHOUUDXAY-GFCCVEGCSA-N 2 2 209.337 2.394 20 0 BEADLP Cc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)c(C)s1 ZINC000663501410 411686393 /nfs/dbraw/zinc/68/63/93/411686393.db2.gz HLYCFQCYMHSGDZ-UHFFFAOYSA-N 2 2 236.384 2.207 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000663506762 411689195 /nfs/dbraw/zinc/68/91/95/411689195.db2.gz IONIUBLUUFCQSH-LBPRGKRZSA-N 2 2 236.359 2.171 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000663508120 411689630 /nfs/dbraw/zinc/68/96/30/411689630.db2.gz JPWKZQANCUMOFN-VIFPVBQESA-N 2 2 242.750 2.046 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000663506761 411689794 /nfs/dbraw/zinc/68/97/94/411689794.db2.gz IONIUBLUUFCQSH-GFCCVEGCSA-N 2 2 236.359 2.171 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000663508158 411690473 /nfs/dbraw/zinc/69/04/73/411690473.db2.gz KYFWSOZREUJNQB-JTQLQIEISA-N 2 2 247.317 2.071 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000663509215 411692251 /nfs/dbraw/zinc/69/22/51/411692251.db2.gz IKCQCRNSTBCTBZ-SNVBAGLBSA-N 2 2 232.327 2.439 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000663513748 411694832 /nfs/dbraw/zinc/69/48/32/411694832.db2.gz LVSLLAOISJQRGT-GFCCVEGCSA-N 2 2 243.354 2.241 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000663514820 411697097 /nfs/dbraw/zinc/69/70/97/411697097.db2.gz UEMSXZTZOLUCIG-LBPRGKRZSA-N 2 2 248.370 2.173 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC23CCCC3)n1C ZINC000668281440 487621216 /nfs/dbraw/zinc/62/12/16/487621216.db2.gz VSUBQAHNRSWGCK-UHFFFAOYSA-N 2 2 219.332 2.247 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC23CCCC3)n1C ZINC000668281440 487621221 /nfs/dbraw/zinc/62/12/21/487621221.db2.gz VSUBQAHNRSWGCK-UHFFFAOYSA-N 2 2 219.332 2.247 20 0 BEADLP CCC[N@H+](C)CC(C)(C)Nc1cc[nH+]c(C)n1 ZINC000664609204 411998152 /nfs/dbraw/zinc/99/81/52/411998152.db2.gz CBZMEGUOVSZZKG-UHFFFAOYSA-N 2 2 236.363 2.317 20 0 BEADLP CCC[N@@H+](C)CC(C)(C)Nc1cc[nH+]c(C)n1 ZINC000664609204 411998156 /nfs/dbraw/zinc/99/81/56/411998156.db2.gz CBZMEGUOVSZZKG-UHFFFAOYSA-N 2 2 236.363 2.317 20 0 BEADLP Cc1nc(N[C@H](C)C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000664458508 411963422 /nfs/dbraw/zinc/96/34/22/411963422.db2.gz YOGDYWLYFUDHTH-GFCCVEGCSA-N 2 2 248.374 2.317 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000310038233 171058610 /nfs/dbraw/zinc/05/86/10/171058610.db2.gz VWZQMZUVRFARGB-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000310038233 171058611 /nfs/dbraw/zinc/05/86/11/171058611.db2.gz VWZQMZUVRFARGB-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000336741014 171060659 /nfs/dbraw/zinc/06/06/59/171060659.db2.gz VDLFIIHEIIGLJT-NTZNESFSSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000336741014 171060662 /nfs/dbraw/zinc/06/06/62/171060662.db2.gz VDLFIIHEIIGLJT-NTZNESFSSA-N 2 2 208.349 2.001 20 0 BEADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC[NH+](CC)CC ZINC000338251489 171111151 /nfs/dbraw/zinc/11/11/51/171111151.db2.gz PNDPBODHRNVQQZ-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC[NH+](CC)CC ZINC000338251489 171111154 /nfs/dbraw/zinc/11/11/54/171111154.db2.gz PNDPBODHRNVQQZ-UONOGXRCSA-N 2 2 242.407 2.218 20 0 BEADLP CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273870 412066397 /nfs/dbraw/zinc/06/63/97/412066397.db2.gz AVQDCDQNUYKNQU-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273870 412066402 /nfs/dbraw/zinc/06/64/02/412066402.db2.gz AVQDCDQNUYKNQU-SDDRHHMPSA-N 2 2 246.345 2.352 20 0 BEADLP CC[C@H](C)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000129041553 171285568 /nfs/dbraw/zinc/28/55/68/171285568.db2.gz RRZJYIQEVQJWSM-NWDGAFQWSA-N 2 2 230.421 2.059 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000308954354 171297920 /nfs/dbraw/zinc/29/79/20/171297920.db2.gz QCLRYEVGGRVYSN-CYDGBPFRSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000308954354 171297921 /nfs/dbraw/zinc/29/79/21/171297921.db2.gz QCLRYEVGGRVYSN-CYDGBPFRSA-N 2 2 212.381 2.351 20 0 BEADLP CC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273133993 171317471 /nfs/dbraw/zinc/31/74/71/171317471.db2.gz VLBDSGGTNJABFH-WDEREUQCSA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273133993 171317472 /nfs/dbraw/zinc/31/74/72/171317472.db2.gz VLBDSGGTNJABFH-WDEREUQCSA-N 2 2 207.321 2.388 20 0 BEADLP CC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000361222154 171340196 /nfs/dbraw/zinc/34/01/96/171340196.db2.gz XPYROFIYCXZEHT-LBPRGKRZSA-N 2 2 242.407 2.264 20 0 BEADLP CC[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130643199 171341052 /nfs/dbraw/zinc/34/10/52/171341052.db2.gz OQMLESJQWNHBMZ-NSHDSACASA-N 2 2 217.316 2.265 20 0 BEADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662324934 412102494 /nfs/dbraw/zinc/10/24/94/412102494.db2.gz FKCKVWZIZKTOFA-IACUBPJLSA-N 2 2 236.334 2.427 20 0 BEADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000662324934 412102496 /nfs/dbraw/zinc/10/24/96/412102496.db2.gz FKCKVWZIZKTOFA-IACUBPJLSA-N 2 2 236.334 2.427 20 0 BEADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H](C)C2 ZINC000665242445 412185430 /nfs/dbraw/zinc/18/54/30/412185430.db2.gz XXYSCTSIHRJKPU-WHOFXGATSA-N 2 2 230.355 2.180 20 0 BEADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccn1 ZINC000665248399 412195467 /nfs/dbraw/zinc/19/54/67/412195467.db2.gz WKCUNJUVIPXRCH-NSHDSACASA-N 2 2 219.332 2.004 20 0 BEADLP Fc1cccc2c1CC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276350 412218588 /nfs/dbraw/zinc/21/85/88/412218588.db2.gz ARPPWLWQDFHXTL-CIQACWJJSA-N 2 2 246.329 2.155 20 0 BEADLP c1cc2c(s1)CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276629 412219171 /nfs/dbraw/zinc/21/91/71/412219171.db2.gz ISYGGWPTMLUAKP-KSGYAGIASA-N 2 2 248.395 2.467 20 0 BEADLP Fc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CC2 ZINC000665276928 412219291 /nfs/dbraw/zinc/21/92/91/412219291.db2.gz PDNFRSGZXVQUCW-CUMGRINNSA-N 2 2 246.329 2.155 20 0 BEADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000665277309 412220662 /nfs/dbraw/zinc/22/06/62/412220662.db2.gz YUBMTPQCVAWOCQ-IFQILLTASA-N 2 2 234.318 2.228 20 0 BEADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000665277308 412221635 /nfs/dbraw/zinc/22/16/35/412221635.db2.gz YUBMTPQCVAWOCQ-CDWSIMAYSA-N 2 2 234.318 2.228 20 0 BEADLP Cc1nc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cs1 ZINC000665282509 412227826 /nfs/dbraw/zinc/22/78/26/412227826.db2.gz ZKUJZJNRABLNTK-GXSJLCMTSA-N 2 2 241.404 2.476 20 0 BEADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000665283719 412228637 /nfs/dbraw/zinc/22/86/37/412228637.db2.gz SUFVRJHMSPORKC-RBSFLKMASA-N 3 2 247.386 2.094 20 0 BEADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288251 412233237 /nfs/dbraw/zinc/23/32/37/412233237.db2.gz IASQKSVMZUUVJE-CQSZACIVSA-N 2 2 233.359 2.314 20 0 BEADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288251 412233238 /nfs/dbraw/zinc/23/32/38/412233238.db2.gz IASQKSVMZUUVJE-CQSZACIVSA-N 2 2 233.359 2.314 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000665294387 412238061 /nfs/dbraw/zinc/23/80/61/412238061.db2.gz NQTGSBSSHOJIRE-NEPJUHHUSA-N 2 2 232.371 2.434 20 0 BEADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(OC)cc1 ZINC000665294834 412238097 /nfs/dbraw/zinc/23/80/97/412238097.db2.gz XKSLYSFCOJQSFQ-FZMZJTMJSA-N 2 2 236.359 2.344 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000665294069 412238656 /nfs/dbraw/zinc/23/86/56/412238656.db2.gz HNANWQPAFCCJLF-ABAIWWIYSA-N 2 2 248.370 2.270 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000665293927 412239180 /nfs/dbraw/zinc/23/91/80/412239180.db2.gz FSEXVLDENFUROE-NEPJUHHUSA-N 2 2 236.359 2.344 20 0 BEADLP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000665294785 412241214 /nfs/dbraw/zinc/24/12/14/412241214.db2.gz WNVTVLLRGVCGNP-FZMZJTMJSA-N 2 2 248.370 2.091 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000665295423 412242700 /nfs/dbraw/zinc/24/27/00/412242700.db2.gz DITKHPCXYCCIDC-JGVFFNPUSA-N 2 2 246.276 2.362 20 0 BEADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000665295402 412242879 /nfs/dbraw/zinc/24/28/79/412242879.db2.gz DAIFRJUNCDAYOF-RISCZKNCSA-N 2 2 218.344 2.180 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000665295427 412243496 /nfs/dbraw/zinc/24/34/96/412243496.db2.gz DLQOPHIOGQFZAJ-GWCFXTLKSA-N 2 2 239.338 2.115 20 0 BEADLP CCc1[nH+]ccn1CCCCn1cc[nH+]c1C ZINC000120810480 172025033 /nfs/dbraw/zinc/02/50/33/172025033.db2.gz WSJXQXQOAZUFGO-UHFFFAOYSA-N 2 2 232.331 2.431 20 0 BEADLP CCc1nocc1C[NH2+]CCc1cc[nH+]cc1C ZINC000339325882 172100020 /nfs/dbraw/zinc/10/00/20/172100020.db2.gz QARDPPYLLHSARC-UHFFFAOYSA-N 2 2 245.326 2.273 20 0 BEADLP C[NH+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275446529 172468413 /nfs/dbraw/zinc/46/84/13/172468413.db2.gz GAXCABRJQBFKOV-GJZGRUSLSA-N 2 2 232.371 2.474 20 0 BEADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000040671667 173020597 /nfs/dbraw/zinc/02/05/97/173020597.db2.gz NIOKWOUEJSAOBR-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000040671667 173020599 /nfs/dbraw/zinc/02/05/99/173020599.db2.gz NIOKWOUEJSAOBR-CYBMUJFWSA-N 2 2 222.307 2.010 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309569045 173033793 /nfs/dbraw/zinc/03/37/93/173033793.db2.gz NCCYXICJDSOUHR-HZSPNIEDSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309569045 173033794 /nfs/dbraw/zinc/03/37/94/173033794.db2.gz NCCYXICJDSOUHR-HZSPNIEDSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000261575137 173034605 /nfs/dbraw/zinc/03/46/05/173034605.db2.gz NADNWLLXHKAZCI-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000261575137 173034607 /nfs/dbraw/zinc/03/46/07/173034607.db2.gz NADNWLLXHKAZCI-JKSUJKDBSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000154586645 173056127 /nfs/dbraw/zinc/05/61/27/173056127.db2.gz KJARINNVUFPSLF-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000154586645 173056131 /nfs/dbraw/zinc/05/61/31/173056131.db2.gz KJARINNVUFPSLF-DZGCQCFKSA-N 2 2 248.345 2.497 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000221159348 173056695 /nfs/dbraw/zinc/05/66/95/173056695.db2.gz DLMKOBZOXXRKRV-NSHDSACASA-N 2 2 240.297 2.149 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000221159348 173056698 /nfs/dbraw/zinc/05/66/98/173056698.db2.gz DLMKOBZOXXRKRV-NSHDSACASA-N 2 2 240.297 2.149 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000042544984 173153522 /nfs/dbraw/zinc/15/35/22/173153522.db2.gz DGPMKHMLVQIAPS-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000042544984 173153523 /nfs/dbraw/zinc/15/35/23/173153523.db2.gz DGPMKHMLVQIAPS-AWEZNQCLSA-N 2 2 241.338 2.029 20 0 BEADLP C[NH2+]CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000069801117 173353704 /nfs/dbraw/zinc/35/37/04/173353704.db2.gz YWPLLXHNMNVREP-AWEZNQCLSA-N 2 2 218.344 2.215 20 0 BEADLP C[NH2+]CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000069801117 173353705 /nfs/dbraw/zinc/35/37/05/173353705.db2.gz YWPLLXHNMNVREP-AWEZNQCLSA-N 2 2 218.344 2.215 20 0 BEADLP C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000061819397 173354795 /nfs/dbraw/zinc/35/47/95/173354795.db2.gz GYFCJSPVZGGJRQ-UHFFFAOYSA-N 2 2 210.365 2.252 20 0 BEADLP C[NH2+]C[C@@H](C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000129551006 173363820 /nfs/dbraw/zinc/36/38/20/173363820.db2.gz POLFTHGSDUHKFN-MRVPVSSYSA-N 2 2 247.264 2.368 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC000227725542 173368783 /nfs/dbraw/zinc/36/87/83/173368783.db2.gz GLKWZGWZULAZFF-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC000227725542 173368784 /nfs/dbraw/zinc/36/87/84/173368784.db2.gz GLKWZGWZULAZFF-MCIONIFRSA-N 2 2 224.392 2.497 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000042390559 173379659 /nfs/dbraw/zinc/37/96/59/173379659.db2.gz ZQWYECHSVIMSFW-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1C ZINC000042390559 173379660 /nfs/dbraw/zinc/37/96/60/173379660.db2.gz ZQWYECHSVIMSFW-OAHLLOKOSA-N 2 2 232.371 2.487 20 0 BEADLP COC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353386811 174027955 /nfs/dbraw/zinc/02/79/55/174027955.db2.gz VZISTHKONPAPQQ-UHFFFAOYSA-N 2 2 248.370 2.433 20 0 BEADLP COCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284321513 174251181 /nfs/dbraw/zinc/25/11/81/174251181.db2.gz PTCFJZUASDRSFS-LSDHHAIUSA-N 2 2 248.370 2.058 20 0 BEADLP COCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284321513 174251183 /nfs/dbraw/zinc/25/11/83/174251183.db2.gz PTCFJZUASDRSFS-LSDHHAIUSA-N 2 2 248.370 2.058 20 0 BEADLP COCC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289075346 174382886 /nfs/dbraw/zinc/38/28/86/174382886.db2.gz CVPFJXMODVKWHM-CYBMUJFWSA-N 2 2 236.359 2.337 20 0 BEADLP COCC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000119054843 174383251 /nfs/dbraw/zinc/38/32/51/174383251.db2.gz NYQLJTNYAJUOPG-KGLIPLIRSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000337387139 174397015 /nfs/dbraw/zinc/39/70/15/174397015.db2.gz IKSQIMOABMDTBV-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000337387139 174397016 /nfs/dbraw/zinc/39/70/16/174397016.db2.gz IKSQIMOABMDTBV-KBPBESRZSA-N 2 2 242.407 2.121 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000234840418 175080858 /nfs/dbraw/zinc/08/08/58/175080858.db2.gz PMPXIFRQCICBAW-STQMWFEESA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326124 175081677 /nfs/dbraw/zinc/08/16/77/175081677.db2.gz RGDGZBJMMOTBDF-QWHCGFSZSA-N 2 2 248.370 2.406 20 0 BEADLP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000147856434 175099939 /nfs/dbraw/zinc/09/99/39/175099939.db2.gz LHVVGCIKOHNHPF-WFASDCNBSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000147856434 175099940 /nfs/dbraw/zinc/09/99/40/175099940.db2.gz LHVVGCIKOHNHPF-WFASDCNBSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126857 175177227 /nfs/dbraw/zinc/17/72/27/175177227.db2.gz BNOGMOFEHDRWBG-CYBMUJFWSA-N 2 2 248.370 2.442 20 0 BEADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[NH+](C)C)CCC2 ZINC000092383177 175214761 /nfs/dbraw/zinc/21/47/61/175214761.db2.gz XJZXSNAIKXTYNS-HNNXBMFYSA-N 2 2 248.370 2.224 20 0 BEADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043327158 175287689 /nfs/dbraw/zinc/28/76/89/175287689.db2.gz DHAAABKCFFOTCZ-DGCLKSJQSA-N 2 2 234.343 2.098 20 0 BEADLP COc1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226340437 175328053 /nfs/dbraw/zinc/32/80/53/175328053.db2.gz OQLGYRZTJAEJLM-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226340437 175328054 /nfs/dbraw/zinc/32/80/54/175328054.db2.gz OQLGYRZTJAEJLM-JSGCOSHPSA-N 2 2 248.370 2.254 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154559047 175351553 /nfs/dbraw/zinc/35/15/53/175351553.db2.gz WQCTWOUFMCWXNE-STQMWFEESA-N 2 2 248.370 2.440 20 0 BEADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154559047 175351556 /nfs/dbraw/zinc/35/15/56/175351556.db2.gz WQCTWOUFMCWXNE-STQMWFEESA-N 2 2 248.370 2.440 20 0 BEADLP C[C@@H](CCc1ccccc1F)[NH2+]CC[NH+](C)C ZINC000276427252 175686582 /nfs/dbraw/zinc/68/65/82/175686582.db2.gz JHPIQSIRPJBQEX-LBPRGKRZSA-N 2 2 238.350 2.298 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200021 176013049 /nfs/dbraw/zinc/01/30/49/176013049.db2.gz SPZHFEQLRZOVRO-UWVGGRQHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224200021 176013051 /nfs/dbraw/zinc/01/30/51/176013051.db2.gz SPZHFEQLRZOVRO-UWVGGRQHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245045 176013119 /nfs/dbraw/zinc/01/31/19/176013119.db2.gz HXQYOTZAGYMQRK-VHSXEESVSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245045 176013121 /nfs/dbraw/zinc/01/31/21/176013121.db2.gz HXQYOTZAGYMQRK-VHSXEESVSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CCSC1 ZINC000336782275 176071186 /nfs/dbraw/zinc/07/11/86/176071186.db2.gz XDESPVNHQNYIRT-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CCSC1 ZINC000336782275 176071188 /nfs/dbraw/zinc/07/11/88/176071188.db2.gz XDESPVNHQNYIRT-CHWSQXEVSA-N 2 2 242.432 2.204 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000346101489 176082552 /nfs/dbraw/zinc/08/25/52/176082552.db2.gz UEJVAOVQEDJOHQ-RDBSUJKOSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000346101489 176082554 /nfs/dbraw/zinc/08/25/54/176082554.db2.gz UEJVAOVQEDJOHQ-RDBSUJKOSA-N 2 2 240.391 2.005 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2ccccc2F)[C@H]1C[NH3+] ZINC000251623009 176101948 /nfs/dbraw/zinc/10/19/48/176101948.db2.gz CPEWSBVEPSQLDK-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2F)[C@H]1C[NH3+] ZINC000251623009 176101949 /nfs/dbraw/zinc/10/19/49/176101949.db2.gz CPEWSBVEPSQLDK-RISCZKNCSA-N 2 2 236.334 2.385 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000129347248 176233764 /nfs/dbraw/zinc/23/37/64/176233764.db2.gz CKMDNPHGHNLKIM-XBFCOCLRSA-N 2 2 218.344 2.465 20 0 BEADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000122726282 176269886 /nfs/dbraw/zinc/26/98/86/176269886.db2.gz BYFHNPHPLUQZHS-PWSUYJOCSA-N 2 2 224.373 2.178 20 0 BEADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000122726282 176269887 /nfs/dbraw/zinc/26/98/87/176269887.db2.gz BYFHNPHPLUQZHS-PWSUYJOCSA-N 2 2 224.373 2.178 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000309140254 176272194 /nfs/dbraw/zinc/27/21/94/176272194.db2.gz SXDBBGGPTNHVMF-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000309140254 176272195 /nfs/dbraw/zinc/27/21/95/176272195.db2.gz SXDBBGGPTNHVMF-NEPJUHHUSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677213 176274590 /nfs/dbraw/zinc/27/45/90/176274590.db2.gz BLEFECQIYDWMAT-MFKMUULPSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000336677213 176274592 /nfs/dbraw/zinc/27/45/92/176274592.db2.gz BLEFECQIYDWMAT-MFKMUULPSA-N 2 2 238.762 2.380 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000309734493 176275033 /nfs/dbraw/zinc/27/50/33/176275033.db2.gz CADFKNPRMWACQY-DQRRXLOISA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000309734493 176275034 /nfs/dbraw/zinc/27/50/34/176275034.db2.gz CADFKNPRMWACQY-DQRRXLOISA-N 2 2 222.376 2.105 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CCCC1 ZINC000309101736 176276515 /nfs/dbraw/zinc/27/65/15/176276515.db2.gz GBMFSRYBJLVCDI-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CCCC1 ZINC000309101736 176276517 /nfs/dbraw/zinc/27/65/17/176276517.db2.gz GBMFSRYBJLVCDI-DGCLKSJQSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358363139 176276774 /nfs/dbraw/zinc/27/67/74/176276774.db2.gz GCMMIKXAKCDHJF-KCPJHIHWSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000358363139 176276776 /nfs/dbraw/zinc/27/67/76/176276776.db2.gz GCMMIKXAKCDHJF-KCPJHIHWSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000337257168 176277502 /nfs/dbraw/zinc/27/75/02/176277502.db2.gz NTYLLTZRUIGVJW-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000337257168 176277504 /nfs/dbraw/zinc/27/75/04/176277504.db2.gz NTYLLTZRUIGVJW-IJLUTSLNSA-N 2 2 246.345 2.352 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000309116227 176278785 /nfs/dbraw/zinc/27/87/85/176278785.db2.gz LQIFHRWIIGRYLV-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000309116227 176278786 /nfs/dbraw/zinc/27/87/86/176278786.db2.gz LQIFHRWIIGRYLV-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000346216317 176282155 /nfs/dbraw/zinc/28/21/55/176282155.db2.gz SQMJYUZWOIHPRO-CZUORRHYSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1 ZINC000346216317 176282156 /nfs/dbraw/zinc/28/21/56/176282156.db2.gz SQMJYUZWOIHPRO-CZUORRHYSA-N 2 2 244.382 2.301 20 0 BEADLP C[C@@H]1C[N@H+](CCSc2ccccc2)C[C@@H]1[NH3+] ZINC000235371055 176291997 /nfs/dbraw/zinc/29/19/97/176291997.db2.gz UKILRKHRNQTZIN-YPMHNXCESA-N 2 2 236.384 2.058 20 0 BEADLP C[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@@H]1[NH3+] ZINC000235371055 176291999 /nfs/dbraw/zinc/29/19/99/176291999.db2.gz UKILRKHRNQTZIN-YPMHNXCESA-N 2 2 236.384 2.058 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000049714421 176304272 /nfs/dbraw/zinc/30/42/72/176304272.db2.gz JGDMYTDFLRUZFD-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CC[C@@H]1[NH3+] ZINC000049714421 176304274 /nfs/dbraw/zinc/30/42/74/176304274.db2.gz JGDMYTDFLRUZFD-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000051017516 176304542 /nfs/dbraw/zinc/30/45/42/176304542.db2.gz MHQIEYUKEUYJGC-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CC[C@@H]1[NH3+] ZINC000051017516 176304544 /nfs/dbraw/zinc/30/45/44/176304544.db2.gz MHQIEYUKEUYJGC-RNCFNFMXSA-N 2 2 240.297 2.134 20 0 BEADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000312777472 176327782 /nfs/dbraw/zinc/32/77/82/176327782.db2.gz ZUPHRKOLMKWHGY-SCZZXKLOSA-N 2 2 244.791 2.489 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000229604439 176460514 /nfs/dbraw/zinc/46/05/14/176460514.db2.gz ZPEFNXVSBYBREX-VHSXEESVSA-N 2 2 230.315 2.115 20 0 BEADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000261529063 176760481 /nfs/dbraw/zinc/76/04/81/176760481.db2.gz AFUAFBCHHIXVQG-ONGXEEELSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000261529063 176760483 /nfs/dbraw/zinc/76/04/83/176760483.db2.gz AFUAFBCHHIXVQG-ONGXEEELSA-N 2 2 210.346 2.232 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050245046 177031359 /nfs/dbraw/zinc/03/13/59/177031359.db2.gz HXQYOTZAGYMQRK-NXEZZACHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050245046 177031360 /nfs/dbraw/zinc/03/13/60/177031360.db2.gz HXQYOTZAGYMQRK-NXEZZACHSA-N 2 2 240.297 2.306 20 0 BEADLP C[C@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000187949561 177071232 /nfs/dbraw/zinc/07/12/32/177071232.db2.gz CRHNGLFTXKZRAS-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000187949561 177071233 /nfs/dbraw/zinc/07/12/33/177071233.db2.gz CRHNGLFTXKZRAS-LBPRGKRZSA-N 2 2 207.321 2.005 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000309095395 177075558 /nfs/dbraw/zinc/07/55/58/177075558.db2.gz CQJPNBASXBDLAS-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000309095395 177075559 /nfs/dbraw/zinc/07/55/59/177075559.db2.gz CQJPNBASXBDLAS-FRRDWIJNSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309808489 177098478 /nfs/dbraw/zinc/09/84/78/177098478.db2.gz STZBKEXEWMYIJO-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CC(C)(C)C2)C1 ZINC000309808489 177098479 /nfs/dbraw/zinc/09/84/79/177098479.db2.gz STZBKEXEWMYIJO-LBPRGKRZSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000335605296 177207098 /nfs/dbraw/zinc/20/70/98/177207098.db2.gz QPAWKSCAOJEUBS-CMPLNLGQSA-N 2 2 215.300 2.222 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562156 177235207 /nfs/dbraw/zinc/23/52/07/177235207.db2.gz IJPJDVRDNUJSMP-AAEUAGOBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000339562156 177235209 /nfs/dbraw/zinc/23/52/09/177235209.db2.gz IJPJDVRDNUJSMP-AAEUAGOBSA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000309455076 177235329 /nfs/dbraw/zinc/23/53/29/177235329.db2.gz NKVBABFJRJWXTE-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000309455076 177235331 /nfs/dbraw/zinc/23/53/31/177235331.db2.gz NKVBABFJRJWXTE-JSGCOSHPSA-N 2 2 224.392 2.497 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780465 177235800 /nfs/dbraw/zinc/23/58/00/177235800.db2.gz RKHCSCQJSKLXQZ-RQJABVFESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000336780465 177235803 /nfs/dbraw/zinc/23/58/03/177235803.db2.gz RKHCSCQJSKLXQZ-RQJABVFESA-N 2 2 224.392 2.352 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761018 177236194 /nfs/dbraw/zinc/23/61/94/177236194.db2.gz IRUBZVYIKJXLHM-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761018 177236195 /nfs/dbraw/zinc/23/61/95/177236195.db2.gz IRUBZVYIKJXLHM-RFGFWPKPSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC000309101735 177236713 /nfs/dbraw/zinc/23/67/13/177236713.db2.gz GBMFSRYBJLVCDI-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC000309101735 177236714 /nfs/dbraw/zinc/23/67/14/177236714.db2.gz GBMFSRYBJLVCDI-AAEUAGOBSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162802 177239344 /nfs/dbraw/zinc/23/93/44/177239344.db2.gz ZUECKLPEXPVAIG-MROQNXINSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309162802 177239346 /nfs/dbraw/zinc/23/93/46/177239346.db2.gz ZUECKLPEXPVAIG-MROQNXINSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761020 177239706 /nfs/dbraw/zinc/23/97/06/177239706.db2.gz IRUBZVYIKJXLHM-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000309761020 177239707 /nfs/dbraw/zinc/23/97/07/177239707.db2.gz IRUBZVYIKJXLHM-ZOBORPQBSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000355584111 177241051 /nfs/dbraw/zinc/24/10/51/177241051.db2.gz OWQVBIDMZHIGMF-OSFYFWSMSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000355584111 177241053 /nfs/dbraw/zinc/24/10/53/177241053.db2.gz OWQVBIDMZHIGMF-OSFYFWSMSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCC2)C[C@H](C)O1 ZINC000050877915 177250268 /nfs/dbraw/zinc/25/02/68/177250268.db2.gz NVCNTHVLOQDFRH-BETUJISGSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCC2)C[C@H](C)O1 ZINC000050877915 177250270 /nfs/dbraw/zinc/25/02/70/177250270.db2.gz NVCNTHVLOQDFRH-BETUJISGSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1[NH3+] ZINC000235726075 177263681 /nfs/dbraw/zinc/26/36/81/177263681.db2.gz VQERWZOULGFWPN-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1[NH3+] ZINC000235726075 177263682 /nfs/dbraw/zinc/26/36/82/177263682.db2.gz VQERWZOULGFWPN-FZMZJTMJSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000121459653 177330463 /nfs/dbraw/zinc/33/04/63/177330463.db2.gz AMOGTZHIRKVJLM-WCQYABFASA-N 2 2 234.387 2.391 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CC2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000121459653 177330465 /nfs/dbraw/zinc/33/04/65/177330465.db2.gz AMOGTZHIRKVJLM-WCQYABFASA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000309463836 177333355 /nfs/dbraw/zinc/33/33/55/177333355.db2.gz PKHMNMBGTGCGIY-XHJNMGKDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000309463836 177333357 /nfs/dbraw/zinc/33/33/57/177333357.db2.gz PKHMNMBGTGCGIY-XHJNMGKDSA-N 2 2 224.392 2.351 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)[C@H]1C ZINC000309824035 177334490 /nfs/dbraw/zinc/33/44/90/177334490.db2.gz WYYZSNFUFPDQBM-CDCRFNPESA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)[C@H]1C ZINC000309824035 177334491 /nfs/dbraw/zinc/33/44/91/177334491.db2.gz WYYZSNFUFPDQBM-CDCRFNPESA-N 2 2 222.376 2.103 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH+](C)C)CC(C)(C)C1 ZINC000019279441 177369336 /nfs/dbraw/zinc/36/93/36/177369336.db2.gz VDBLEXLJBNFLJP-RYUDHWBXSA-N 2 2 212.381 2.352 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)c2nccn21 ZINC000333334478 177369472 /nfs/dbraw/zinc/36/94/72/177369472.db2.gz WVOGFRFRMLYAQW-RYUDHWBXSA-N 2 2 248.374 2.140 20 0 BEADLP C[C@H]1C[C@H]([NH2+]CC[NH3+])c2ccsc2S1 ZINC000127644706 177369619 /nfs/dbraw/zinc/36/96/19/177369619.db2.gz RUVXIKULOIVMEG-CBAPKCEASA-N 2 2 228.386 2.222 20 0 BEADLP C[C@H]1C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000052274138 177385736 /nfs/dbraw/zinc/38/57/36/177385736.db2.gz GZHRLTNRCPXPPR-SMDDNHRTSA-N 2 2 227.311 2.370 20 0 BEADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH+](C)C ZINC000287098108 177390494 /nfs/dbraw/zinc/39/04/94/177390494.db2.gz PWHVWTURUPQWQW-SMDDNHRTSA-N 2 2 218.344 2.071 20 0 BEADLP C[C@H]1Cc2[nH+]cn(Cc3[nH+]ccn3C)c2C[C@@H]1C ZINC000296142652 177391836 /nfs/dbraw/zinc/39/18/36/177391836.db2.gz ZVNNMBFXJHRDDP-QWRGUYRKSA-N 2 2 244.342 2.036 20 0 BEADLP C[C@H]1[NH2+]CCC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000229598276 177396756 /nfs/dbraw/zinc/39/67/56/177396756.db2.gz COKMHTDLHSXERR-GHMZBOCLSA-N 2 2 244.342 2.126 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000328281325 487641876 /nfs/dbraw/zinc/64/18/76/487641876.db2.gz RZPLEJYUMPDWMF-CYBMUJFWSA-N 2 2 222.376 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000328281325 487641881 /nfs/dbraw/zinc/64/18/81/487641881.db2.gz RZPLEJYUMPDWMF-CYBMUJFWSA-N 2 2 222.376 2.249 20 0 BEADLP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400384408 225118726 /nfs/dbraw/zinc/11/87/26/225118726.db2.gz LLPWSHKHTWSEHP-JSGCOSHPSA-N 2 2 218.344 2.225 20 0 BEADLP COCC(C)(C)C[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000494353288 226264239 /nfs/dbraw/zinc/26/42/39/226264239.db2.gz WWDOGHONVDBXGF-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP COCC(C)(C)C[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000494353288 226264240 /nfs/dbraw/zinc/26/42/40/226264240.db2.gz WWDOGHONVDBXGF-ZDUSSCGKSA-N 2 2 242.407 2.123 20 0 BEADLP Cc1ccsc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400583897 226347471 /nfs/dbraw/zinc/34/74/71/226347471.db2.gz RQIURYDIMAVTBL-WDEREUQCSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@H]1CC[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)O1 ZINC000308616196 229237690 /nfs/dbraw/zinc/23/76/90/229237690.db2.gz VBTYKWOMRZAHBQ-QWHCGFSZSA-N 2 2 240.391 2.018 20 0 BEADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]CCn1cc[nH+]c1 ZINC000308693499 229240051 /nfs/dbraw/zinc/24/00/51/229240051.db2.gz JNFVJPWGKQOQPR-CHWSQXEVSA-N 2 2 221.348 2.442 20 0 BEADLP FCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671680514 487686570 /nfs/dbraw/zinc/68/65/70/487686570.db2.gz IIHADWDXLJJCGX-LBPRGKRZSA-N 2 2 225.311 2.270 20 0 BEADLP FCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671680514 487686573 /nfs/dbraw/zinc/68/65/73/487686573.db2.gz IIHADWDXLJJCGX-LBPRGKRZSA-N 2 2 225.311 2.270 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328470621 487694343 /nfs/dbraw/zinc/69/43/43/487694343.db2.gz LBUBOMRVIJAPCX-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000328470621 487694350 /nfs/dbraw/zinc/69/43/50/487694350.db2.gz LBUBOMRVIJAPCX-KGLIPLIRSA-N 2 2 222.376 2.417 20 0 BEADLP CCc1nc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cs1 ZINC000328483075 487698524 /nfs/dbraw/zinc/69/85/24/487698524.db2.gz QIVOIVJFWHTGJR-LLVKDONJSA-N 2 2 241.404 2.169 20 0 BEADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@H]1CC1(C)C ZINC000397785055 262933713 /nfs/dbraw/zinc/93/37/13/262933713.db2.gz YBYLMVHLSJGKLW-UTUOFQBUSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397794163 262934145 /nfs/dbraw/zinc/93/41/45/262934145.db2.gz SRZBVGKJFHJLTK-AGIUHOORSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000328523536 487703882 /nfs/dbraw/zinc/70/38/82/487703882.db2.gz SKMHKHDBHHXOOT-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 ZINC000328523536 487703889 /nfs/dbraw/zinc/70/38/89/487703889.db2.gz SKMHKHDBHHXOOT-AVGNSLFASA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000328534369 487707474 /nfs/dbraw/zinc/70/74/74/487707474.db2.gz ZLGRADGUFQKQCN-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000328534369 487707475 /nfs/dbraw/zinc/70/74/75/487707475.db2.gz ZLGRADGUFQKQCN-VXGBXAGGSA-N 2 2 210.365 2.249 20 0 BEADLP CC[C@]1(C)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667682109 487715994 /nfs/dbraw/zinc/71/59/94/487715994.db2.gz ABATVRMSXBGTIE-CQSZACIVSA-N 2 2 233.359 2.451 20 0 BEADLP CC[C@]1(C)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667682109 487715997 /nfs/dbraw/zinc/71/59/97/487715997.db2.gz ABATVRMSXBGTIE-CQSZACIVSA-N 2 2 233.359 2.451 20 0 BEADLP c1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000676714723 487723983 /nfs/dbraw/zinc/72/39/83/487723983.db2.gz OQAUYOUZWLQTAT-NSHDSACASA-N 2 2 248.355 2.177 20 0 BEADLP c1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000676714723 487723988 /nfs/dbraw/zinc/72/39/88/487723988.db2.gz OQAUYOUZWLQTAT-NSHDSACASA-N 2 2 248.355 2.177 20 0 BEADLP c1cc2cc(C[NH2+]CC[NH+]3CCCC3)ccc2[nH]1 ZINC000228827822 487735256 /nfs/dbraw/zinc/73/52/56/487735256.db2.gz VZDOZRDANBUQRI-UHFFFAOYSA-N 2 2 243.354 2.353 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000668430517 487742452 /nfs/dbraw/zinc/74/24/52/487742452.db2.gz JEZAQBXTDJVWLG-ZDUSSCGKSA-N 2 2 248.370 2.355 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000668430517 487742457 /nfs/dbraw/zinc/74/24/57/487742457.db2.gz JEZAQBXTDJVWLG-ZDUSSCGKSA-N 2 2 248.370 2.355 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000668432661 487746568 /nfs/dbraw/zinc/74/65/68/487746568.db2.gz WGBCBVKMSHYJPF-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000668432661 487746572 /nfs/dbraw/zinc/74/65/72/487746572.db2.gz WGBCBVKMSHYJPF-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H]1C[C@H]1C ZINC000322052978 487780885 /nfs/dbraw/zinc/78/08/85/487780885.db2.gz PRHWNETXHQNQFQ-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[C@H]1C ZINC000322052978 487780891 /nfs/dbraw/zinc/78/08/91/487780891.db2.gz PRHWNETXHQNQFQ-LPWJVIDDSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459033 487783145 /nfs/dbraw/zinc/78/31/45/487783145.db2.gz OQLUQNNYOXOZTA-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459033 487783147 /nfs/dbraw/zinc/78/31/47/487783147.db2.gz OQLUQNNYOXOZTA-UTUOFQBUSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459034 487783283 /nfs/dbraw/zinc/78/32/83/487783283.db2.gz OQLUQNNYOXOZTA-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459034 487783287 /nfs/dbraw/zinc/78/32/87/487783287.db2.gz OQLUQNNYOXOZTA-WOPDTQHZSA-N 2 2 210.365 2.105 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668459393 487783404 /nfs/dbraw/zinc/78/34/04/487783404.db2.gz UBWLYTJVGLQRJB-GRYCIOLGSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668459393 487783406 /nfs/dbraw/zinc/78/34/06/487783406.db2.gz UBWLYTJVGLQRJB-GRYCIOLGSA-N 2 2 242.432 2.200 20 0 BEADLP C[C@H](Cc1cccs1)[NH2+]CC1([NH+](C)C)CC1 ZINC000669428402 487819277 /nfs/dbraw/zinc/81/92/77/487819277.db2.gz XCRXTSFLBLOSSP-LLVKDONJSA-N 2 2 238.400 2.363 20 0 BEADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000414932889 487830226 /nfs/dbraw/zinc/83/02/26/487830226.db2.gz WDMANDTWGROWHG-CABCVRRESA-N 3 2 247.386 2.182 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000488437623 527628795 /nfs/dbraw/zinc/62/87/95/527628795.db2.gz ZOLLFWWBCJADAU-LPXQKFACSA-N 2 2 236.403 2.493 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000488437623 527628802 /nfs/dbraw/zinc/62/88/02/527628802.db2.gz ZOLLFWWBCJADAU-LPXQKFACSA-N 2 2 236.403 2.493 20 0 BEADLP CCCC[C@H](CC)CC[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091167 487837232 /nfs/dbraw/zinc/83/72/32/487837232.db2.gz BWINZOIWSBKLJK-UONOGXRCSA-N 2 2 242.407 2.171 20 0 BEADLP COCC[N@H+](CC[NH2+]C(C)(C)C)C1CCCC1 ZINC000666624803 487847263 /nfs/dbraw/zinc/84/72/63/487847263.db2.gz OTMHBWJGMKGNFN-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP COCC[N@@H+](CC[NH2+]C(C)(C)C)C1CCCC1 ZINC000666624803 487847266 /nfs/dbraw/zinc/84/72/66/487847266.db2.gz OTMHBWJGMKGNFN-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP CCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373096907 487858868 /nfs/dbraw/zinc/85/88/68/487858868.db2.gz DZJXFAZFBDEEBS-LBPRGKRZSA-N 2 2 221.348 2.400 20 0 BEADLP CCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373096907 487858869 /nfs/dbraw/zinc/85/88/69/487858869.db2.gz DZJXFAZFBDEEBS-LBPRGKRZSA-N 2 2 221.348 2.400 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)n1C ZINC000668178542 487864556 /nfs/dbraw/zinc/86/45/56/487864556.db2.gz ZFDCEKRBYICCJC-CQSZACIVSA-N 2 2 245.370 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)n1C ZINC000668178542 487864560 /nfs/dbraw/zinc/86/45/60/487864560.db2.gz ZFDCEKRBYICCJC-CQSZACIVSA-N 2 2 245.370 2.493 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690814 487874517 /nfs/dbraw/zinc/87/45/17/487874517.db2.gz UXWYURDYSVOERF-GFCCVEGCSA-N 2 2 239.338 2.034 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CCF)C1 ZINC000661690814 487874524 /nfs/dbraw/zinc/87/45/24/487874524.db2.gz UXWYURDYSVOERF-GFCCVEGCSA-N 2 2 239.338 2.034 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)n1C ZINC000668219711 487881560 /nfs/dbraw/zinc/88/15/60/487881560.db2.gz UHHKFXLSGRDQRT-LSDHHAIUSA-N 2 2 245.370 2.349 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)n1C ZINC000668219711 487881565 /nfs/dbraw/zinc/88/15/65/487881565.db2.gz UHHKFXLSGRDQRT-LSDHHAIUSA-N 2 2 245.370 2.349 20 0 BEADLP c1ccc(C2CC2)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000666814163 487884880 /nfs/dbraw/zinc/88/48/80/487884880.db2.gz QQIMVEURDSBANP-CQSZACIVSA-N 2 2 230.355 2.406 20 0 BEADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cscc1Cl ZINC000666879630 487895378 /nfs/dbraw/zinc/89/53/78/487895378.db2.gz LFKZRNAMTOFAIT-KWQFWETISA-N 2 2 244.791 2.489 20 0 BEADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000234967147 487897939 /nfs/dbraw/zinc/89/79/39/487897939.db2.gz FFWREHKODFHFLA-JSGCOSHPSA-N 2 2 248.370 2.488 20 0 BEADLP COc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])[nH+]c1 ZINC000234968256 487897954 /nfs/dbraw/zinc/89/79/54/487897954.db2.gz QSUOHFKZASTEHC-PWSUYJOCSA-N 2 2 235.331 2.020 20 0 BEADLP Cc1ccc(C[N@H+](C)CC2C[NH+](C)C2)c(C)c1 ZINC000668537601 487901681 /nfs/dbraw/zinc/90/16/81/487901681.db2.gz JOJWKESLSPNFPL-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)c(C)c1 ZINC000668537601 487901688 /nfs/dbraw/zinc/90/16/88/487901688.db2.gz JOJWKESLSPNFPL-UHFFFAOYSA-N 2 2 232.371 2.297 20 0 BEADLP C[N@H+](C/C=C/c1ccc(F)cc1)CC1C[NH+](C)C1 ZINC000668539738 487904605 /nfs/dbraw/zinc/90/46/05/487904605.db2.gz KHHPBNLKDGVILH-ONEGZZNKSA-N 2 2 248.345 2.332 20 0 BEADLP C[N@@H+](C/C=C/c1ccc(F)cc1)CC1C[NH+](C)C1 ZINC000668539738 487904609 /nfs/dbraw/zinc/90/46/09/487904609.db2.gz KHHPBNLKDGVILH-ONEGZZNKSA-N 2 2 248.345 2.332 20 0 BEADLP C[C@H]1CCC[C@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539979 487904692 /nfs/dbraw/zinc/90/46/92/487904692.db2.gz SEHLCDFHNFLCEP-STQMWFEESA-N 2 2 224.392 2.306 20 0 BEADLP C[C@H]1CCC[C@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539979 487904699 /nfs/dbraw/zinc/90/46/99/487904699.db2.gz SEHLCDFHNFLCEP-STQMWFEESA-N 2 2 224.392 2.306 20 0 BEADLP C[C@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539692 487904854 /nfs/dbraw/zinc/90/48/54/487904854.db2.gz IUWVTIPEZLLOPW-CYBMUJFWSA-N 2 2 232.371 2.284 20 0 BEADLP C[C@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539692 487904859 /nfs/dbraw/zinc/90/48/59/487904859.db2.gz IUWVTIPEZLLOPW-CYBMUJFWSA-N 2 2 232.371 2.284 20 0 BEADLP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1C ZINC000666943390 487909687 /nfs/dbraw/zinc/90/96/87/487909687.db2.gz AIXPMOPOFVAKLH-KBPBESRZSA-N 2 2 236.334 2.093 20 0 BEADLP CCC(CC)(CC)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945168 487910528 /nfs/dbraw/zinc/91/05/28/487910528.db2.gz BDZMDYWZLPKXSI-RYUDHWBXSA-N 2 2 230.371 2.492 20 0 BEADLP C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946466 487910328 /nfs/dbraw/zinc/91/03/28/487910328.db2.gz DHODJTQIBUDLEY-CIUDSAMLSA-N 2 2 242.260 2.007 20 0 BEADLP C[C@H]1CCC[C@H](C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000666947599 487911179 /nfs/dbraw/zinc/91/11/79/487911179.db2.gz CJMJACQYWCBXMU-CYDGBPFRSA-N 2 2 228.355 2.102 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC(C)(C)C1 ZINC000666946741 487911245 /nfs/dbraw/zinc/91/12/45/487911245.db2.gz OSIJVSYVKMBJDW-XQHKEYJVSA-N 2 2 242.382 2.491 20 0 BEADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946697 487911542 /nfs/dbraw/zinc/91/15/42/487911542.db2.gz MBSSNICJFSAWEI-SRVKXCTJSA-N 2 2 216.344 2.101 20 0 BEADLP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947867 487912306 /nfs/dbraw/zinc/91/23/06/487912306.db2.gz KQYADIBGNLYBHH-DRZSPHRISA-N 2 2 228.355 2.245 20 0 BEADLP C[C@H](CCCCO)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000679332026 487912907 /nfs/dbraw/zinc/91/29/07/487912907.db2.gz CVWMFBOEQHGQSG-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@H](CCCCO)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000679332026 487912911 /nfs/dbraw/zinc/91/29/11/487912911.db2.gz CVWMFBOEQHGQSG-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000387637185 487950775 /nfs/dbraw/zinc/95/07/75/487950775.db2.gz HGXVYNKPWNBILT-WCQYABFASA-N 2 2 212.381 2.495 20 0 BEADLP CCC[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000564736271 323014366 /nfs/dbraw/zinc/01/43/66/323014366.db2.gz NQRFKYRAPDDCRK-NEPJUHHUSA-N 2 2 221.348 2.398 20 0 BEADLP CCC[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000564736271 323014367 /nfs/dbraw/zinc/01/43/67/323014367.db2.gz NQRFKYRAPDDCRK-NEPJUHHUSA-N 2 2 221.348 2.398 20 0 BEADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)C1CCCC1 ZINC000562680909 323027129 /nfs/dbraw/zinc/02/71/29/323027129.db2.gz OUQYYWOOGHKBSB-UHFFFAOYSA-N 2 2 233.359 2.370 20 0 BEADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)C1CCCC1 ZINC000562680909 323027130 /nfs/dbraw/zinc/02/71/30/323027130.db2.gz OUQYYWOOGHKBSB-UHFFFAOYSA-N 2 2 233.359 2.370 20 0 BEADLP C[C@@H]1C[C@H]1C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000569971564 323046162 /nfs/dbraw/zinc/04/61/62/323046162.db2.gz GYURAVYOLSUMEK-OSAQELSMSA-N 2 2 230.355 2.201 20 0 BEADLP C[C@@H]1C[C@H]1C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000569971564 323046163 /nfs/dbraw/zinc/04/61/63/323046163.db2.gz GYURAVYOLSUMEK-OSAQELSMSA-N 2 2 230.355 2.201 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000570225369 323053772 /nfs/dbraw/zinc/05/37/72/323053772.db2.gz OGLWMGGSLBMBFK-CHWSQXEVSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1c[nH+]c(C)nc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000570225369 323053773 /nfs/dbraw/zinc/05/37/73/323053773.db2.gz OGLWMGGSLBMBFK-CHWSQXEVSA-N 2 2 246.358 2.132 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000570528704 323062412 /nfs/dbraw/zinc/06/24/12/323062412.db2.gz AUQDAMMREIYRQI-VXGBXAGGSA-N 2 2 231.343 2.336 20 0 BEADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000570528704 323062413 /nfs/dbraw/zinc/06/24/13/323062413.db2.gz AUQDAMMREIYRQI-VXGBXAGGSA-N 2 2 231.343 2.336 20 0 BEADLP CC(C)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000319631699 323085507 /nfs/dbraw/zinc/08/55/07/323085507.db2.gz ZOWRILNDYPAEQC-WCQYABFASA-N 2 2 206.333 2.321 20 0 BEADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CC1(C)C ZINC000397760541 323091834 /nfs/dbraw/zinc/09/18/34/323091834.db2.gz DXMVOKVSTASWPL-MNOVXSKESA-N 2 2 207.321 2.324 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)[NH+](C)C ZINC000220660034 323096245 /nfs/dbraw/zinc/09/62/45/323096245.db2.gz WWUVNHBQUAPBAX-MROQNXINSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)[NH+](C)C ZINC000394741075 323097622 /nfs/dbraw/zinc/09/76/22/323097622.db2.gz QVJBXUPEURARPO-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)o1 ZINC000531685878 323111052 /nfs/dbraw/zinc/11/10/52/323111052.db2.gz OIMZVNFJPLCUNY-XHDPSFHLSA-N 2 2 248.370 2.203 20 0 BEADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)o1 ZINC000531685878 323111053 /nfs/dbraw/zinc/11/10/53/323111053.db2.gz OIMZVNFJPLCUNY-XHDPSFHLSA-N 2 2 248.370 2.203 20 0 BEADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1ccccn1 ZINC000534296652 323115647 /nfs/dbraw/zinc/11/56/47/323115647.db2.gz GBDFFJSLPSSBPX-UHFFFAOYSA-N 2 2 244.342 2.189 20 0 BEADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccn1 ZINC000534296652 323115648 /nfs/dbraw/zinc/11/56/48/323115648.db2.gz GBDFFJSLPSSBPX-UHFFFAOYSA-N 2 2 244.342 2.189 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000563532064 323129357 /nfs/dbraw/zinc/12/93/57/323129357.db2.gz UVEHPEJXJFWFFM-LSDHHAIUSA-N 2 2 248.370 2.073 20 0 BEADLP CCC1CC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000308970603 323182822 /nfs/dbraw/zinc/18/28/22/323182822.db2.gz ZDPUPJKZXDJSPP-PNESKVBLSA-N 2 2 210.365 2.106 20 0 BEADLP CCC1CC([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000308970603 323182823 /nfs/dbraw/zinc/18/28/23/323182823.db2.gz ZDPUPJKZXDJSPP-PNESKVBLSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CC(F)(F)C1 ZINC000529533290 323182829 /nfs/dbraw/zinc/18/28/29/323182829.db2.gz LKGZSZJWRRGDNG-VHSXEESVSA-N 2 2 243.301 2.295 20 0 BEADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529533291 323182840 /nfs/dbraw/zinc/18/28/40/323182840.db2.gz LKGZSZJWRRGDNG-ZJUUUORDSA-N 2 2 243.301 2.295 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1csnn1 ZINC000398383497 323185368 /nfs/dbraw/zinc/18/53/68/323185368.db2.gz UKEIYCQKRGERDI-JTQLQIEISA-N 2 2 248.355 2.135 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cscn1 ZINC000161193448 323196365 /nfs/dbraw/zinc/19/63/65/323196365.db2.gz NSXOWJNKSFOQRK-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cscn1 ZINC000161193448 323196366 /nfs/dbraw/zinc/19/63/66/323196366.db2.gz NSXOWJNKSFOQRK-GHMZBOCLSA-N 2 2 239.388 2.136 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325097421 323310294 /nfs/dbraw/zinc/31/02/94/323310294.db2.gz PXDMDEWOHKOKAS-KGLIPLIRSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000325097421 323310296 /nfs/dbraw/zinc/31/02/96/323310296.db2.gz PXDMDEWOHKOKAS-KGLIPLIRSA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000309115514 323318822 /nfs/dbraw/zinc/31/88/22/323318822.db2.gz LJGZXVWUKJLAAQ-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC1 ZINC000309115514 323318828 /nfs/dbraw/zinc/31/88/28/323318828.db2.gz LJGZXVWUKJLAAQ-VXGBXAGGSA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000309129063 323319066 /nfs/dbraw/zinc/31/90/66/323319066.db2.gz QQRSGEGEHREBSF-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000309129063 323319071 /nfs/dbraw/zinc/31/90/71/323319071.db2.gz QQRSGEGEHREBSF-UPJWGTAASA-N 2 2 210.365 2.106 20 0 BEADLP Cc1ccoc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000135160183 323366159 /nfs/dbraw/zinc/36/61/59/323366159.db2.gz XOGCZGCXYXMRSI-UHFFFAOYSA-N 2 2 233.315 2.355 20 0 BEADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@@H]1C ZINC000322020326 323394693 /nfs/dbraw/zinc/39/46/93/323394693.db2.gz KFXZWJVCVMMSHF-SRVKXCTJSA-N 2 2 212.381 2.351 20 0 BEADLP CC[NH2+]CC[NH2+]Cc1cc(C)sc1C ZINC000572129289 323545545 /nfs/dbraw/zinc/54/55/45/323545545.db2.gz SZPMPJXKNGHTHV-UHFFFAOYSA-N 2 2 212.362 2.064 20 0 BEADLP c1cn(CCCC[NH2+]C2CCCC2)c[nH+]1 ZINC000044353246 323822366 /nfs/dbraw/zinc/82/23/66/323822366.db2.gz HJRCSYPKQSPLPY-UHFFFAOYSA-N 2 2 207.321 2.196 20 0 BEADLP CCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094434 323836588 /nfs/dbraw/zinc/83/65/88/323836588.db2.gz VPZRVJYJYRRTMS-LBPRGKRZSA-N 2 2 209.337 2.442 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538059 324329962 /nfs/dbraw/zinc/32/99/62/324329962.db2.gz JVASXCJCAUTPES-GXSJLCMTSA-N 2 2 244.329 2.247 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CC(F)(F)C1 ZINC000529538059 324329966 /nfs/dbraw/zinc/32/99/66/324329966.db2.gz JVASXCJCAUTPES-GXSJLCMTSA-N 2 2 244.329 2.247 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000529568558 324345327 /nfs/dbraw/zinc/34/53/27/324345327.db2.gz BRKYHBPFUKIQOJ-SWLSCSKDSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000529568558 324345332 /nfs/dbraw/zinc/34/53/32/324345332.db2.gz BRKYHBPFUKIQOJ-SWLSCSKDSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccn1 ZINC000529568558 324345333 /nfs/dbraw/zinc/34/53/33/324345333.db2.gz BRKYHBPFUKIQOJ-SWLSCSKDSA-N 2 2 247.386 2.162 20 0 BEADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccn1 ZINC000529568558 324345339 /nfs/dbraw/zinc/34/53/39/324345339.db2.gz BRKYHBPFUKIQOJ-SWLSCSKDSA-N 2 2 247.386 2.162 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000061984798 324390389 /nfs/dbraw/zinc/39/03/89/324390389.db2.gz RQXHRBHGMZQUAI-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000061984798 324390393 /nfs/dbraw/zinc/39/03/93/324390393.db2.gz RQXHRBHGMZQUAI-STQMWFEESA-N 2 2 212.381 2.495 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000130265331 325031620 /nfs/dbraw/zinc/03/16/20/325031620.db2.gz GNCMUZWSUWGTTG-FVCCEPFGSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000131013427 325107569 /nfs/dbraw/zinc/10/75/69/325107569.db2.gz FYDXIEFRBTYRMF-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000131013427 325107574 /nfs/dbraw/zinc/10/75/74/325107574.db2.gz FYDXIEFRBTYRMF-QWRGUYRKSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[N@H+](C)C1CC1 ZINC000131080728 325112993 /nfs/dbraw/zinc/11/29/93/325112993.db2.gz HMJMYILWWPEDND-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[N@@H+](C)C1CC1 ZINC000131080728 325112995 /nfs/dbraw/zinc/11/29/95/325112995.db2.gz HMJMYILWWPEDND-GHMZBOCLSA-N 2 2 210.365 2.247 20 0 BEADLP CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000132050586 325196038 /nfs/dbraw/zinc/19/60/38/325196038.db2.gz DWDNVUXPCIUWSB-NWDGAFQWSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000133146209 325271353 /nfs/dbraw/zinc/27/13/53/325271353.db2.gz XUWFBJPFQFZKTA-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000133146209 325271354 /nfs/dbraw/zinc/27/13/54/325271354.db2.gz XUWFBJPFQFZKTA-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccoc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551219673 325550484 /nfs/dbraw/zinc/55/04/84/325550484.db2.gz SYDKHAKTUPJZPM-UHFFFAOYSA-N 2 2 245.326 2.411 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC23CCCC3)n1C ZINC000565238273 325884144 /nfs/dbraw/zinc/88/41/44/325884144.db2.gz OSNLWILMQXPJOQ-GFCCVEGCSA-N 2 2 219.332 2.151 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000566701333 326075664 /nfs/dbraw/zinc/07/56/64/326075664.db2.gz PEYXXZNCRIEZQI-CFVMTHIKSA-N 2 2 232.371 2.330 20 0 BEADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1F ZINC000566961465 326097196 /nfs/dbraw/zinc/09/71/96/326097196.db2.gz UXVALRINKHSXRD-LLVKDONJSA-N 2 2 228.286 2.038 20 0 BEADLP CC[N@H+](C)CCNc1[nH+]ccc2cc(F)ccc21 ZINC000567230109 326146798 /nfs/dbraw/zinc/14/67/98/326146798.db2.gz BQRYDYDOHNYQTD-UHFFFAOYSA-N 2 2 247.317 2.159 20 0 BEADLP CC[N@@H+](C)CCNc1[nH+]ccc2cc(F)ccc21 ZINC000567230109 326146799 /nfs/dbraw/zinc/14/67/99/326146799.db2.gz BQRYDYDOHNYQTD-UHFFFAOYSA-N 2 2 247.317 2.159 20 0 BEADLP CC[C@@H](COC)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000157041023 326253564 /nfs/dbraw/zinc/25/35/64/326253564.db2.gz WJEJRXVGETUDCH-LBPRGKRZSA-N 2 2 247.342 2.157 20 0 BEADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000568355349 326348435 /nfs/dbraw/zinc/34/84/35/326348435.db2.gz PYBMJYAXNUICOZ-UHFFFAOYSA-N 2 2 226.389 2.440 20 0 BEADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000568355349 326348437 /nfs/dbraw/zinc/34/84/37/326348437.db2.gz PYBMJYAXNUICOZ-UHFFFAOYSA-N 2 2 226.389 2.440 20 0 BEADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000568499567 326359779 /nfs/dbraw/zinc/35/97/79/326359779.db2.gz XDHDGMGYEVPLAV-OLZOCXBDSA-N 2 2 249.358 2.302 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000568653448 326371442 /nfs/dbraw/zinc/37/14/42/326371442.db2.gz DDMPSYHKJZJFHC-MRVWCRGKSA-N 2 2 234.387 2.391 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000568653448 326371443 /nfs/dbraw/zinc/37/14/43/326371443.db2.gz DDMPSYHKJZJFHC-MRVWCRGKSA-N 2 2 234.387 2.391 20 0 BEADLP Cc1ccccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235765328 488013377 /nfs/dbraw/zinc/01/33/77/488013377.db2.gz GYVQDBQMHOHGSI-AWEZNQCLSA-N 2 2 218.344 2.227 20 0 BEADLP C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667471558 488017012 /nfs/dbraw/zinc/01/70/12/488017012.db2.gz CDSLNLVVTIKMMT-LLVKDONJSA-N 2 2 219.332 2.061 20 0 BEADLP C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667471558 488017016 /nfs/dbraw/zinc/01/70/16/488017016.db2.gz CDSLNLVVTIKMMT-LLVKDONJSA-N 2 2 219.332 2.061 20 0 BEADLP C[C@H]1C[C@H](C)C[NH+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667472330 488018803 /nfs/dbraw/zinc/01/88/03/488018803.db2.gz CUNJWJHHUMMJRO-RYUDHWBXSA-N 2 2 233.359 2.307 20 0 BEADLP CC[C@@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667531954 488038288 /nfs/dbraw/zinc/03/82/88/488038288.db2.gz XHUYCGCPXNIEAH-GFCCVEGCSA-N 2 2 221.348 2.351 20 0 BEADLP CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667531954 488038291 /nfs/dbraw/zinc/03/82/91/488038291.db2.gz XHUYCGCPXNIEAH-GFCCVEGCSA-N 2 2 221.348 2.351 20 0 BEADLP Cn1cc[nH+]c1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000236079647 488039557 /nfs/dbraw/zinc/03/95/57/488039557.db2.gz NYWIXNNWBVMEJQ-LBPRGKRZSA-N 2 2 213.284 2.033 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000667555807 488045265 /nfs/dbraw/zinc/04/52/65/488045265.db2.gz NXCDGBXGLNHGQD-GXTWGEPZSA-N 2 2 233.359 2.493 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000667555807 488045269 /nfs/dbraw/zinc/04/52/69/488045269.db2.gz NXCDGBXGLNHGQD-GXTWGEPZSA-N 2 2 233.359 2.493 20 0 BEADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1C ZINC000667649177 488071482 /nfs/dbraw/zinc/07/14/82/488071482.db2.gz KWVTZFPKIQXMNX-RYUDHWBXSA-N 2 2 233.359 2.307 20 0 BEADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC[C@@H]1C ZINC000667649177 488071484 /nfs/dbraw/zinc/07/14/84/488071484.db2.gz KWVTZFPKIQXMNX-RYUDHWBXSA-N 2 2 233.359 2.307 20 0 BEADLP C[C@@H]1CC[C@@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667650035 488072552 /nfs/dbraw/zinc/07/25/52/488072552.db2.gz KCMXAFSYWUAFBH-VXGBXAGGSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@H]1C[N@H+](Cc2c[nH+]c(C)n2C)CCS1 ZINC000667650121 488072647 /nfs/dbraw/zinc/07/26/47/488072647.db2.gz MOIIWBRZNIXICN-LBPRGKRZSA-N 2 2 239.388 2.056 20 0 BEADLP CC[C@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)CCS1 ZINC000667650121 488072650 /nfs/dbraw/zinc/07/26/50/488072650.db2.gz MOIIWBRZNIXICN-LBPRGKRZSA-N 2 2 239.388 2.056 20 0 BEADLP COCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000656269428 488073620 /nfs/dbraw/zinc/07/36/20/488073620.db2.gz QHEHNFJLRJKICP-UHFFFAOYSA-N 2 2 248.370 2.339 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650788 488073835 /nfs/dbraw/zinc/07/38/35/488073835.db2.gz DLOFNPKVEOFGKZ-RYUDHWBXSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@H]1C[C@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667650788 488073839 /nfs/dbraw/zinc/07/38/39/488073839.db2.gz DLOFNPKVEOFGKZ-RYUDHWBXSA-N 2 2 233.359 2.450 20 0 BEADLP CC[C@](C)([NH2+]CC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000574863953 488085296 /nfs/dbraw/zinc/08/52/96/488085296.db2.gz RGRWAMDXGDVXTJ-UWVGGRQHSA-N 2 2 238.297 2.307 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000389306831 488088081 /nfs/dbraw/zinc/08/80/81/488088081.db2.gz FKRWCXJQIYHCGP-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000389306831 488088086 /nfs/dbraw/zinc/08/80/86/488088086.db2.gz FKRWCXJQIYHCGP-HZSPNIEDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1ccnc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000683010002 488089367 /nfs/dbraw/zinc/08/93/67/488089367.db2.gz BEOOTMXSNPJAFD-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccnc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000683010002 488089372 /nfs/dbraw/zinc/08/93/72/488089372.db2.gz BEOOTMXSNPJAFD-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccnc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000683010002 488089375 /nfs/dbraw/zinc/08/93/75/488089375.db2.gz BEOOTMXSNPJAFD-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP Cc1ccnc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000683010002 488089381 /nfs/dbraw/zinc/08/93/81/488089381.db2.gz BEOOTMXSNPJAFD-AWEZNQCLSA-N 2 2 247.386 2.164 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000683107356 488108829 /nfs/dbraw/zinc/10/88/29/488108829.db2.gz KTFCVYCZDQXMFB-SLTAFYQDSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000683107356 488108832 /nfs/dbraw/zinc/10/88/32/488108832.db2.gz KTFCVYCZDQXMFB-SLTAFYQDSA-N 2 2 236.403 2.495 20 0 BEADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000094528196 487538001 /nfs/dbraw/zinc/53/80/01/487538001.db2.gz OKTGHLFWSDBKLQ-AWEZNQCLSA-N 2 2 230.355 2.487 20 0 BEADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528196 487538006 /nfs/dbraw/zinc/53/80/06/487538006.db2.gz OKTGHLFWSDBKLQ-AWEZNQCLSA-N 2 2 230.355 2.487 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000162117674 487539699 /nfs/dbraw/zinc/53/96/99/487539699.db2.gz NSSAZQYLTUOFCB-VIFPVBQESA-N 2 2 212.724 2.038 20 0 BEADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000086729369 487539402 /nfs/dbraw/zinc/53/94/02/487539402.db2.gz ZXSCSYNNRCBBJM-NXEZZACHSA-N 2 2 210.346 2.151 20 0 BEADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000162135257 487540851 /nfs/dbraw/zinc/54/08/51/487540851.db2.gz NZKDQXTWXLLGCY-ZDUSSCGKSA-N 2 2 220.360 2.309 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382184660 487533277 /nfs/dbraw/zinc/53/32/77/487533277.db2.gz AQSSUTLVWGMEDC-AGIUHOORSA-N 2 2 210.365 2.105 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382184660 487533284 /nfs/dbraw/zinc/53/32/84/487533284.db2.gz AQSSUTLVWGMEDC-AGIUHOORSA-N 2 2 210.365 2.105 20 0 BEADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860638 488140256 /nfs/dbraw/zinc/14/02/56/488140256.db2.gz VHMAMHPYLRAFEB-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667860638 488140262 /nfs/dbraw/zinc/14/02/62/488140262.db2.gz VHMAMHPYLRAFEB-RDBSUJKOSA-N 2 2 224.392 2.497 20 0 BEADLP CC(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000086726977 487471340 /nfs/dbraw/zinc/47/13/40/487471340.db2.gz YJTUTWDHPCLUPH-KBPBESRZSA-N 2 2 218.344 2.335 20 0 BEADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094088883 487513518 /nfs/dbraw/zinc/51/35/18/487513518.db2.gz FMYZKPPJNVGQRM-LLVKDONJSA-N 2 2 244.260 2.157 20 0 BEADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086726935 487535080 /nfs/dbraw/zinc/53/50/80/487535080.db2.gz ROSBIJUKRNXACO-RISCZKNCSA-N 2 2 218.344 2.262 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716752 487701002 /nfs/dbraw/zinc/70/10/02/487701002.db2.gz MVOAFMCAOBKZLH-BXUZGUMPSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000671716752 487701007 /nfs/dbraw/zinc/70/10/07/487701007.db2.gz MVOAFMCAOBKZLH-BXUZGUMPSA-N 2 2 244.338 2.473 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1nccc2ccccc21 ZINC000666720068 487865151 /nfs/dbraw/zinc/86/51/51/487865151.db2.gz MRQCMYVGYOCMJH-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1nccc2ccccc21 ZINC000666720068 487865153 /nfs/dbraw/zinc/86/51/53/487865153.db2.gz MRQCMYVGYOCMJH-FZMZJTMJSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc2cnccc21 ZINC000666720188 487865352 /nfs/dbraw/zinc/86/53/52/487865352.db2.gz YYNUNEFRDSDCFY-NHYWBVRUSA-N 2 2 241.338 2.156 20 0 BEADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc2cnccc21 ZINC000666720188 487865357 /nfs/dbraw/zinc/86/53/57/487865357.db2.gz YYNUNEFRDSDCFY-NHYWBVRUSA-N 2 2 241.338 2.156 20 0 BEADLP Cc1ccnc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683228131 488134955 /nfs/dbraw/zinc/13/49/55/488134955.db2.gz VOCPZEROIALBID-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cc1ccnc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000683228131 488134959 /nfs/dbraw/zinc/13/49/59/488134959.db2.gz VOCPZEROIALBID-OAHLLOKOSA-N 2 2 247.386 2.306 20 0 BEADLP Cn1cc[nH+]c1-c1cccc2c1CC[C@H]2[NH3+] ZINC000236079725 488141908 /nfs/dbraw/zinc/14/19/08/488141908.db2.gz UBVVWFAQWHUYLA-GFCCVEGCSA-N 2 2 213.284 2.033 20 0 BEADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000397741968 488142696 /nfs/dbraw/zinc/14/26/96/488142696.db2.gz HRASUOPYIYKZBW-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(C)C)C1 ZINC000397741968 488142698 /nfs/dbraw/zinc/14/26/98/488142698.db2.gz HRASUOPYIYKZBW-FRRDWIJNSA-N 2 2 224.392 2.495 20 0 BEADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000379781836 488152011 /nfs/dbraw/zinc/15/20/11/488152011.db2.gz CQGCUQFUCVOJEC-GRYCIOLGSA-N 2 2 210.365 2.105 20 0 BEADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667913920 488155660 /nfs/dbraw/zinc/15/56/60/488155660.db2.gz UEHKFYMIYGIOLQ-GJZGRUSLSA-N 2 2 246.354 2.090 20 0 BEADLP c1cc(C[N@H+]2CC=CCC2)n(-c2cc[nH+]cc2)n1 ZINC000667946531 488164805 /nfs/dbraw/zinc/16/48/05/488164805.db2.gz NDXHEEDCCHUHNY-UHFFFAOYSA-N 2 2 240.310 2.029 20 0 BEADLP c1cc(C[N@@H+]2CC=CCC2)n(-c2cc[nH+]cc2)n1 ZINC000667946531 488164813 /nfs/dbraw/zinc/16/48/13/488164813.db2.gz NDXHEEDCCHUHNY-UHFFFAOYSA-N 2 2 240.310 2.029 20 0 BEADLP CC[N@H+](CCC1CC1)Cc1c[nH+]c(C)n1C ZINC000667988966 488178009 /nfs/dbraw/zinc/17/80/09/488178009.db2.gz YUWXHNQIYOLGME-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP CC[N@@H+](CCC1CC1)Cc1c[nH+]c(C)n1C ZINC000667988966 488178012 /nfs/dbraw/zinc/17/80/12/488178012.db2.gz YUWXHNQIYOLGME-UHFFFAOYSA-N 2 2 221.348 2.351 20 0 BEADLP C[C@H]1CCCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668001521 488180155 /nfs/dbraw/zinc/18/01/55/488180155.db2.gz SGOAVZMMNOXZFG-LBPRGKRZSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@H]1CCCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668001521 488180158 /nfs/dbraw/zinc/18/01/58/488180158.db2.gz SGOAVZMMNOXZFG-LBPRGKRZSA-N 2 2 233.359 2.451 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC1(C)C ZINC000683769435 488217975 /nfs/dbraw/zinc/21/79/75/488217975.db2.gz UBFNTYGBGWPFPB-YUTCNCBUSA-N 2 2 236.403 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC1(C)C ZINC000683769435 488217976 /nfs/dbraw/zinc/21/79/76/488217976.db2.gz UBFNTYGBGWPFPB-YUTCNCBUSA-N 2 2 236.403 2.495 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c(C)n1 ZINC000678411630 488252163 /nfs/dbraw/zinc/25/21/63/488252163.db2.gz HJMQZEYINYSMER-GFCCVEGCSA-N 2 2 244.342 2.246 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000678541856 488265486 /nfs/dbraw/zinc/26/54/86/488265486.db2.gz AMRCIYOQDYPIEE-CHWSQXEVSA-N 2 2 233.359 2.135 20 0 BEADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000678541856 488265487 /nfs/dbraw/zinc/26/54/87/488265487.db2.gz AMRCIYOQDYPIEE-CHWSQXEVSA-N 2 2 233.359 2.135 20 0 BEADLP Fc1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000678788244 488283305 /nfs/dbraw/zinc/28/33/05/488283305.db2.gz GLWWOACYJRWODZ-LBPRGKRZSA-N 2 2 249.333 2.285 20 0 BEADLP FC1(F)CC2(C[NH+](CCCn3cc[nH+]c3)C2)C1 ZINC000678891056 488293970 /nfs/dbraw/zinc/29/39/70/488293970.db2.gz MJRSLPTVCBZZDY-UHFFFAOYSA-N 2 2 241.285 2.004 20 0 BEADLP Cc1ccc(CCC[N@@H+](C)Cc2cn[nH]c2)c[nH+]1 ZINC000684360475 488300614 /nfs/dbraw/zinc/30/06/14/488300614.db2.gz DFIIAVZZACYXFL-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP Cc1ccc(CCC[N@H+](C)Cc2cn[nH]c2)c[nH+]1 ZINC000684360475 488300618 /nfs/dbraw/zinc/30/06/18/488300618.db2.gz DFIIAVZZACYXFL-UHFFFAOYSA-N 2 2 244.342 2.178 20 0 BEADLP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1F ZINC000679225064 488320872 /nfs/dbraw/zinc/32/08/72/488320872.db2.gz WISCUFNWBSWABN-FRRDWIJNSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1F ZINC000679225064 488320875 /nfs/dbraw/zinc/32/08/75/488320875.db2.gz WISCUFNWBSWABN-FRRDWIJNSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1F ZINC000679225064 488320877 /nfs/dbraw/zinc/32/08/77/488320877.db2.gz WISCUFNWBSWABN-FRRDWIJNSA-N 2 2 228.355 2.151 20 0 BEADLP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1F ZINC000679225064 488320879 /nfs/dbraw/zinc/32/08/79/488320879.db2.gz WISCUFNWBSWABN-FRRDWIJNSA-N 2 2 228.355 2.151 20 0 BEADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCCO ZINC000679339722 488341676 /nfs/dbraw/zinc/34/16/76/488341676.db2.gz JQGCAHRNGKABDA-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCCO ZINC000679339722 488341678 /nfs/dbraw/zinc/34/16/78/488341678.db2.gz JQGCAHRNGKABDA-UONOGXRCSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCCO ZINC000679339720 488341718 /nfs/dbraw/zinc/34/17/18/488341718.db2.gz JQGCAHRNGKABDA-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCCO ZINC000679339720 488341719 /nfs/dbraw/zinc/34/17/19/488341719.db2.gz JQGCAHRNGKABDA-KGLIPLIRSA-N 2 2 242.407 2.002 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2CC2)C[N@@H+]1C1CC1 ZINC000120226340 490059130 /nfs/dbraw/zinc/05/91/30/490059130.db2.gz PPRBJNYBPCVHKQ-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP C[C@@H]1C[C@H]([NH2+]CCC2CC2)C[N@H+]1C1CC1 ZINC000120226340 490059134 /nfs/dbraw/zinc/05/91/34/490059134.db2.gz PPRBJNYBPCVHKQ-PWSUYJOCSA-N 2 2 208.349 2.001 20 0 BEADLP Cc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1F ZINC000313286840 490285838 /nfs/dbraw/zinc/28/58/38/490285838.db2.gz VVORIYDVNOFCSF-UHFFFAOYSA-N 2 2 247.317 2.200 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CC1(F)F ZINC000666228700 490291187 /nfs/dbraw/zinc/29/11/87/490291187.db2.gz WDIIHOHVOWIHHT-UXCLJVHYSA-N 2 2 244.329 2.245 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CC1(F)F ZINC000666228700 490291190 /nfs/dbraw/zinc/29/11/90/490291190.db2.gz WDIIHOHVOWIHHT-UXCLJVHYSA-N 2 2 244.329 2.245 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000300993185 490574213 /nfs/dbraw/zinc/57/42/13/490574213.db2.gz VXEKHUROXWBEMH-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000300993185 490574208 /nfs/dbraw/zinc/57/42/08/490574208.db2.gz VXEKHUROXWBEMH-STQMWFEESA-N 2 2 212.381 2.352 20 0 BEADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H](C)SC1)C1CC1 ZINC000655704627 491062510 /nfs/dbraw/zinc/06/25/10/491062510.db2.gz HCELGOCDWGUIGA-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H](C)SC1)C1CC1 ZINC000655704627 491062511 /nfs/dbraw/zinc/06/25/11/491062511.db2.gz HCELGOCDWGUIGA-RYUDHWBXSA-N 2 2 242.432 2.344 20 0 BEADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000087771268 491091768 /nfs/dbraw/zinc/09/17/68/491091768.db2.gz XXGXPMWIWXRZFJ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000087771268 491091770 /nfs/dbraw/zinc/09/17/70/491091770.db2.gz XXGXPMWIWXRZFJ-RYUDHWBXSA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000090015018 491122454 /nfs/dbraw/zinc/12/24/54/491122454.db2.gz GTQWEKSTRKMONQ-HNNXBMFYSA-N 2 2 244.382 2.364 20 0 BEADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000090015018 491122456 /nfs/dbraw/zinc/12/24/56/491122456.db2.gz GTQWEKSTRKMONQ-HNNXBMFYSA-N 2 2 244.382 2.364 20 0 BEADLP Cn1c[nH+]c(CCNc2cc[nH+]cc2Cl)c1 ZINC000313481719 491125944 /nfs/dbraw/zinc/12/59/44/491125944.db2.gz HUKBJRPNRXPKDF-UHFFFAOYSA-N 2 2 236.706 2.123 20 0 BEADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538700 491127282 /nfs/dbraw/zinc/12/72/82/491127282.db2.gz AJAZHAXIQWLOSX-UKRRQHHQSA-N 2 2 236.403 2.472 20 0 BEADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538700 491127283 /nfs/dbraw/zinc/12/72/83/491127283.db2.gz AJAZHAXIQWLOSX-UKRRQHHQSA-N 2 2 236.403 2.472 20 0 BEADLP CC(C)C[C@H](C)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539387 491127476 /nfs/dbraw/zinc/12/74/76/491127476.db2.gz URVBXMRCAIHPIO-LBPRGKRZSA-N 2 2 212.381 2.162 20 0 BEADLP CC(C)C[C@H](C)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539387 491127477 /nfs/dbraw/zinc/12/74/77/491127477.db2.gz URVBXMRCAIHPIO-LBPRGKRZSA-N 2 2 212.381 2.162 20 0 BEADLP C[NH+](C)[C@]1(C[NH2+]CC2(C)CCC2)CCSC1 ZINC000309618545 491152599 /nfs/dbraw/zinc/15/25/99/491152599.db2.gz DMSSFDCIGFPBMA-ZDUSSCGKSA-N 2 2 242.432 2.204 20 0 BEADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000309668213 491154221 /nfs/dbraw/zinc/15/42/21/491154221.db2.gz UZCCAPGYPAPDAX-RDBSUJKOSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000309781829 491156446 /nfs/dbraw/zinc/15/64/46/491156446.db2.gz NBBJPTPXQPWBGO-ZIAGYGMSSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000309781829 491156447 /nfs/dbraw/zinc/15/64/47/491156447.db2.gz NBBJPTPXQPWBGO-ZIAGYGMSSA-N 2 2 222.376 2.274 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000488357530 533719263 /nfs/dbraw/zinc/71/92/63/533719263.db2.gz PCMDBXAMZQLEMN-MCIONIFRSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000488357530 533719274 /nfs/dbraw/zinc/71/92/74/533719274.db2.gz PCMDBXAMZQLEMN-MCIONIFRSA-N 2 2 222.376 2.203 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000488300745 533722794 /nfs/dbraw/zinc/72/27/94/533722794.db2.gz SEXMOLUIHIVARY-REWJHTLYSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000488300745 533722798 /nfs/dbraw/zinc/72/27/98/533722798.db2.gz SEXMOLUIHIVARY-REWJHTLYSA-N 2 2 233.359 2.422 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000309071111 533736257 /nfs/dbraw/zinc/73/62/57/533736257.db2.gz DAUGSZZKFQFBME-GRYCIOLGSA-N 2 2 212.381 2.351 20 0 BEADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400565881 534089018 /nfs/dbraw/zinc/08/90/18/534089018.db2.gz MIYWZMCKQWKPCO-PWSUYJOCSA-N 2 2 224.373 2.287 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000300359655 534257457 /nfs/dbraw/zinc/25/74/57/534257457.db2.gz MZSQXECDNBZURN-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000300359655 534257458 /nfs/dbraw/zinc/25/74/58/534257458.db2.gz MZSQXECDNBZURN-YIYPIFLZSA-N 2 2 224.392 2.495 20 0 BEADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000347877315 536178731 /nfs/dbraw/zinc/17/87/31/536178731.db2.gz ZBCNVSDOPNKNOB-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000347877315 536178733 /nfs/dbraw/zinc/17/87/33/536178733.db2.gz ZBCNVSDOPNKNOB-AWEZNQCLSA-N 2 2 247.386 2.028 20 0 BEADLP C[N@@H+]1CCC[C@@H]1CCn1c[nH+]c2c1CCCC2 ZINC000335339662 536370867 /nfs/dbraw/zinc/37/08/67/536370867.db2.gz REPYRCDZBNDDQW-GFCCVEGCSA-N 2 2 233.359 2.246 20 0 BEADLP C[N@H+]1CCC[C@@H]1CCn1c[nH+]c2c1CCCC2 ZINC000335339662 536370870 /nfs/dbraw/zinc/37/08/70/536370870.db2.gz REPYRCDZBNDDQW-GFCCVEGCSA-N 2 2 233.359 2.246 20 0 BEADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000217474632 536375329 /nfs/dbraw/zinc/37/53/29/536375329.db2.gz YZNDENTUXSYMCX-UKRRQHHQSA-N 2 2 232.371 2.474 20 0 BEADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000217474632 536375331 /nfs/dbraw/zinc/37/53/31/536375331.db2.gz YZNDENTUXSYMCX-UKRRQHHQSA-N 2 2 232.371 2.474 20 0 BEADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)C1(C)C ZINC000348281507 534914107 /nfs/dbraw/zinc/91/41/07/534914107.db2.gz AVVSNJBDOGNIIF-FRRDWIJNSA-N 2 2 242.407 2.118 20 0 BEADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000309024789 528691591 /nfs/dbraw/zinc/69/15/91/528691591.db2.gz ZHBDUWOAUUABNX-RWMBFGLXSA-N 2 2 212.381 2.351 20 0 BEADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nccs1 ZINC000086814856 535194761 /nfs/dbraw/zinc/19/47/61/535194761.db2.gz GJQAPCNQFCJEQG-VIFPVBQESA-N 2 2 227.377 2.311 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000252715921 535948682 /nfs/dbraw/zinc/94/86/82/535948682.db2.gz XCBZEVOSRPTGEX-SWHYSGLUSA-N 2 2 222.376 2.247 20 0 BEADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC1 ZINC000252715921 535948685 /nfs/dbraw/zinc/94/86/85/535948685.db2.gz XCBZEVOSRPTGEX-SWHYSGLUSA-N 2 2 222.376 2.247 20 0 BEADLP CCc1cc(OC)ccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000262050245 536156137 /nfs/dbraw/zinc/15/61/37/536156137.db2.gz ZLVDTQIXRRUWQK-LLVKDONJSA-N 2 2 236.359 2.037 20 0 BEADLP CCc1cc(OC)ccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000262050245 536156139 /nfs/dbraw/zinc/15/61/39/536156139.db2.gz ZLVDTQIXRRUWQK-LLVKDONJSA-N 2 2 236.359 2.037 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221384471 536180076 /nfs/dbraw/zinc/18/00/76/536180076.db2.gz YRWSOSOGGCGYMM-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000221384471 536180083 /nfs/dbraw/zinc/18/00/83/536180083.db2.gz YRWSOSOGGCGYMM-HZPDHXFCSA-N 2 2 244.382 2.433 20 0 BEADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](OC)C1)C1CC1 ZINC000233441155 566361753 /nfs/dbraw/zinc/36/17/53/566361753.db2.gz HECFJNHCCBHNAF-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](OC)C1)C1CC1 ZINC000233441155 566361758 /nfs/dbraw/zinc/36/17/58/566361758.db2.gz HECFJNHCCBHNAF-TZMCWYRMSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1nc(N[C@H](C)c2[nH]cc[nH+]2)c(C)c(C)[nH+]1 ZINC000853643626 588751872 /nfs/dbraw/zinc/75/18/72/588751872.db2.gz KWGICKWOIWNCSF-SECBINFHSA-N 2 2 231.303 2.298 20 0 BEADLP CCCSC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000892434379 582886924 /nfs/dbraw/zinc/88/69/24/582886924.db2.gz YPJCOSZQKFAPPX-NSHDSACASA-N 2 2 232.437 2.448 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000892785700 582981893 /nfs/dbraw/zinc/98/18/93/582981893.db2.gz KMAXKULJVRKASM-GFCCVEGCSA-N 2 2 232.437 2.448 20 0 BEADLP CCCSC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000892785700 582981896 /nfs/dbraw/zinc/98/18/96/582981896.db2.gz KMAXKULJVRKASM-GFCCVEGCSA-N 2 2 232.437 2.448 20 0 BEADLP c1ccc2c(c1)CC[C@@H]2C[NH2+]CC[NH+]1CCCC1 ZINC000893320886 583100043 /nfs/dbraw/zinc/10/00/43/583100043.db2.gz STPNYENWUXJCGY-OAHLLOKOSA-N 2 2 244.382 2.402 20 0 BEADLP C[C@H](C[NH2+]CCc1ccc(F)c(F)c1)[NH+](C)C ZINC000893344520 583115094 /nfs/dbraw/zinc/11/50/94/583115094.db2.gz OOFHBCWETDRNHA-SNVBAGLBSA-N 2 2 242.313 2.047 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000228128513 583200562 /nfs/dbraw/zinc/20/05/62/583200562.db2.gz HVHIUYJMZDTSNX-QWHCGFSZSA-N 2 2 248.370 2.092 20 0 BEADLP Cc1cccc(OCCC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894156500 583320362 /nfs/dbraw/zinc/32/03/62/583320362.db2.gz NXQJNUVXCNOBRC-UHFFFAOYSA-N 2 2 245.326 2.277 20 0 BEADLP c1[nH]c(C[NH2+]C[C@@H]2CCOc3ccccc32)c[nH+]1 ZINC000894250641 583392119 /nfs/dbraw/zinc/39/21/19/583392119.db2.gz MNPQFGDBGNVCHK-NSHDSACASA-N 2 2 243.310 2.066 20 0 BEADLP CC(C)[C@H](C[NH2+]Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000894325051 583422774 /nfs/dbraw/zinc/42/27/74/583422774.db2.gz CXSQATQBQWIMFA-AWEZNQCLSA-N 2 2 244.342 2.334 20 0 BEADLP c1[nH]c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c[nH+]1 ZINC000894331127 583425309 /nfs/dbraw/zinc/42/53/09/583425309.db2.gz BUFRTIAPTUFDHW-GFCCVEGCSA-N 2 2 249.358 2.381 20 0 BEADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCCO1 ZINC000894331601 583425357 /nfs/dbraw/zinc/42/53/57/583425357.db2.gz HMQHBUYLSFZDEY-LBPRGKRZSA-N 2 2 237.347 2.095 20 0 BEADLP Cc1ncoc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000894621770 583496287 /nfs/dbraw/zinc/49/62/87/583496287.db2.gz JUOZOPPOMDZTEL-UHFFFAOYSA-N 2 2 249.358 2.090 20 0 BEADLP c1[nH]cc(CNc2cc3c(c[nH+]2)CCCC3)[nH+]1 ZINC000894816907 583525630 /nfs/dbraw/zinc/52/56/30/583525630.db2.gz XWYWBXXSFVLCEI-UHFFFAOYSA-N 2 2 228.299 2.296 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000894869227 583539189 /nfs/dbraw/zinc/53/91/89/583539189.db2.gz RFCVHSMJZUCNLO-CYBMUJFWSA-N 2 2 237.322 2.296 20 0 BEADLP Cc1cc[nH+]c(N)c1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000894869227 583539190 /nfs/dbraw/zinc/53/91/90/583539190.db2.gz RFCVHSMJZUCNLO-CYBMUJFWSA-N 2 2 237.322 2.296 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068466 583578752 /nfs/dbraw/zinc/57/87/52/583578752.db2.gz ASFFGKKXGNBCEY-GHMZBOCLSA-N 2 2 231.343 2.303 20 0 BEADLP C[C@@H]1C[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068466 583578753 /nfs/dbraw/zinc/57/87/53/583578753.db2.gz ASFFGKKXGNBCEY-GHMZBOCLSA-N 2 2 231.343 2.303 20 0 BEADLP C[C@H]1C[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068468 583579017 /nfs/dbraw/zinc/57/90/17/583579017.db2.gz ASFFGKKXGNBCEY-QWRGUYRKSA-N 2 2 231.343 2.303 20 0 BEADLP C[C@H]1C[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068468 583579018 /nfs/dbraw/zinc/57/90/18/583579018.db2.gz ASFFGKKXGNBCEY-QWRGUYRKSA-N 2 2 231.343 2.303 20 0 BEADLP FC1CCC(C[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000895082874 583583513 /nfs/dbraw/zinc/58/35/13/583583513.db2.gz HWLRECDIFIVUTD-UHFFFAOYSA-N 2 2 211.284 2.028 20 0 BEADLP CC[NH+](CC)[C@H](C)CNc1nc[nH+]c(C)c1C ZINC000881802770 583585367 /nfs/dbraw/zinc/58/53/67/583585367.db2.gz HDSBPKSXOLETOS-SNVBAGLBSA-N 2 2 236.363 2.236 20 0 BEADLP CCc1cc(NC[C@H]2CC[N@H+]2CC)nc(CC)[nH+]1 ZINC000895161118 583609434 /nfs/dbraw/zinc/60/94/34/583609434.db2.gz QXXXEHLFJWHSNY-GFCCVEGCSA-N 2 2 248.374 2.108 20 0 BEADLP CCc1cc(NC[C@H]2CC[N@@H+]2CC)nc(CC)[nH+]1 ZINC000895161118 583609436 /nfs/dbraw/zinc/60/94/36/583609436.db2.gz QXXXEHLFJWHSNY-GFCCVEGCSA-N 2 2 248.374 2.108 20 0 BEADLP CCc1ccc(C)[nH+]c1NCc1c[nH+]c[nH]1 ZINC000895237119 583630330 /nfs/dbraw/zinc/63/03/30/583630330.db2.gz QJYCKXNJRNICIA-UHFFFAOYSA-N 2 2 216.288 2.288 20 0 BEADLP CCc1ccc(C)[nH+]c1NCc1c[nH]c[nH+]1 ZINC000895237119 583630332 /nfs/dbraw/zinc/63/03/32/583630332.db2.gz QJYCKXNJRNICIA-UHFFFAOYSA-N 2 2 216.288 2.288 20 0 BEADLP CSCC1(CC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000895247551 583632839 /nfs/dbraw/zinc/63/28/39/583632839.db2.gz DZDLVHNGHYXFRO-UHFFFAOYSA-N 2 2 225.361 2.033 20 0 BEADLP C[N@H+](C/C=C\c1cccc(F)c1)CC1C[NH+](C)C1 ZINC000895261483 583634581 /nfs/dbraw/zinc/63/45/81/583634581.db2.gz YEHBYOCSEMSWEP-XQRVVYSFSA-N 2 2 248.345 2.332 20 0 BEADLP C[N@@H+](C/C=C\c1cccc(F)c1)CC1C[NH+](C)C1 ZINC000895261483 583634584 /nfs/dbraw/zinc/63/45/84/583634584.db2.gz YEHBYOCSEMSWEP-XQRVVYSFSA-N 2 2 248.345 2.332 20 0 BEADLP COc1cccc(C[NH2+]Cc2c[nH+]c[nH]2)c1C ZINC000895353709 583657473 /nfs/dbraw/zinc/65/74/73/583657473.db2.gz UGUBYZIMOVLZSI-UHFFFAOYSA-N 2 2 231.299 2.017 20 0 BEADLP Cc1ccc(CC[N@@H+](C)CC2C[NH+](C)C2)cc1C ZINC000895364478 583660376 /nfs/dbraw/zinc/66/03/76/583660376.db2.gz ZHSGBWQFQACXBI-UHFFFAOYSA-N 2 2 246.398 2.339 20 0 BEADLP Cc1ccc(CC[N@H+](C)CC2C[NH+](C)C2)cc1C ZINC000895364478 583660378 /nfs/dbraw/zinc/66/03/78/583660378.db2.gz ZHSGBWQFQACXBI-UHFFFAOYSA-N 2 2 246.398 2.339 20 0 BEADLP Cc1coc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000895460526 583678161 /nfs/dbraw/zinc/67/81/61/583678161.db2.gz HUNAJQJQUKTNDQ-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000895460526 583678162 /nfs/dbraw/zinc/67/81/62/583678162.db2.gz HUNAJQJQUKTNDQ-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000895460526 583678163 /nfs/dbraw/zinc/67/81/63/583678163.db2.gz HUNAJQJQUKTNDQ-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1coc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC000895460526 583678164 /nfs/dbraw/zinc/67/81/64/583678164.db2.gz HUNAJQJQUKTNDQ-GXTWGEPZSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@H+](CCCF)Cc1cccc2[nH+]ccn21 ZINC000895898349 583740675 /nfs/dbraw/zinc/74/06/75/583740675.db2.gz ONBFGCAYKATMGL-UHFFFAOYSA-N 2 2 221.279 2.126 20 0 BEADLP C[N@@H+](CCCF)Cc1cccc2[nH+]ccn21 ZINC000895898349 583740676 /nfs/dbraw/zinc/74/06/76/583740676.db2.gz ONBFGCAYKATMGL-UHFFFAOYSA-N 2 2 221.279 2.126 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH+]1CC(OC(C)C)C1 ZINC000895955078 583752895 /nfs/dbraw/zinc/75/28/95/583752895.db2.gz OADXUHZLNQGAFQ-UHFFFAOYSA-N 2 2 248.370 2.432 20 0 BEADLP Cc1nc(NCCn2cc[nH+]c2C(C)C)cc[nH+]1 ZINC000895988081 583759615 /nfs/dbraw/zinc/75/96/15/583759615.db2.gz PKMCVPHMXUWPAQ-UHFFFAOYSA-N 2 2 245.330 2.217 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@@H+]1C ZINC000896553145 583811102 /nfs/dbraw/zinc/81/11/02/583811102.db2.gz CKJRZUVXBHRFBB-INWMFGNUSA-N 2 2 244.382 2.399 20 0 BEADLP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CC[N@H+]1C ZINC000896553145 583811104 /nfs/dbraw/zinc/81/11/04/583811104.db2.gz CKJRZUVXBHRFBB-INWMFGNUSA-N 2 2 244.382 2.399 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000896555928 583811579 /nfs/dbraw/zinc/81/15/79/583811579.db2.gz SFECNPUGHGDLBH-AVGNSLFASA-N 2 2 208.349 2.167 20 0 BEADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000896555928 583811581 /nfs/dbraw/zinc/81/15/81/583811581.db2.gz SFECNPUGHGDLBH-AVGNSLFASA-N 2 2 208.349 2.167 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C2CC2)n1C ZINC000897437957 583983815 /nfs/dbraw/zinc/98/38/15/583983815.db2.gz QIZWJBSPMXOBKQ-UHFFFAOYSA-N 2 2 221.348 2.254 20 0 BEADLP Cc1cc[nH+]c(N)c1C[NH2+][C@@H](C)c1cncs1 ZINC000897930556 584061466 /nfs/dbraw/zinc/06/14/66/584061466.db2.gz QUWLHURLMZGSPB-VIFPVBQESA-N 2 2 248.355 2.280 20 0 BEADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897955134 584065300 /nfs/dbraw/zinc/06/53/00/584065300.db2.gz PUCYQDXABPRKTC-WKZARQIDSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897955134 584065303 /nfs/dbraw/zinc/06/53/03/584065303.db2.gz PUCYQDXABPRKTC-WKZARQIDSA-N 2 2 234.387 2.247 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)CS1 ZINC000898033758 584077888 /nfs/dbraw/zinc/07/78/88/584077888.db2.gz BHSVRVBXHSOKLM-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)CS1 ZINC000898033758 584077889 /nfs/dbraw/zinc/07/78/89/584077889.db2.gz BHSVRVBXHSOKLM-VXGBXAGGSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034800 584079303 /nfs/dbraw/zinc/07/93/03/584079303.db2.gz XEPROLONLJMSJM-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP CS[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034800 584079304 /nfs/dbraw/zinc/07/93/04/584079304.db2.gz XEPROLONLJMSJM-RYUDHWBXSA-N 2 2 242.432 2.202 20 0 BEADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H](O)C1CC1 ZINC000898203850 584090464 /nfs/dbraw/zinc/09/04/64/584090464.db2.gz KEHBYQIJFYOQQH-OAHLLOKOSA-N 2 2 248.370 2.073 20 0 BEADLP COC1(C[NH2+]Cc2c[nH+]c[nH]2)CCCCCC1 ZINC000898259701 584103314 /nfs/dbraw/zinc/10/33/14/584103314.db2.gz PZVUTHFAMCJAAD-UHFFFAOYSA-N 2 2 237.347 2.239 20 0 BEADLP CSCC(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000898305224 584109233 /nfs/dbraw/zinc/10/92/33/584109233.db2.gz UIZGLJWUHZNIAA-UHFFFAOYSA-N 2 2 239.388 2.061 20 0 BEADLP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)cn1 ZINC000898307954 584109813 /nfs/dbraw/zinc/10/98/13/584109813.db2.gz KAUPOSKWYQQFBW-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)cn1 ZINC000898307954 584109814 /nfs/dbraw/zinc/10/98/14/584109814.db2.gz KAUPOSKWYQQFBW-UHFFFAOYSA-N 2 2 249.402 2.410 20 0 BEADLP CS[C@H]1CC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000898314486 584110819 /nfs/dbraw/zinc/11/08/19/584110819.db2.gz XROVSECHJTUTSW-XQQFMLRXSA-N 2 2 244.448 2.446 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CSC[C@H]1C ZINC000898314376 584111025 /nfs/dbraw/zinc/11/10/25/584111025.db2.gz VCTTVTUUBPDLPU-FRRDWIJNSA-N 2 2 244.448 2.304 20 0 BEADLP COc1cc([NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)ccc1N ZINC000841042705 584120505 /nfs/dbraw/zinc/12/05/05/584120505.db2.gz PXJFKGIYIHNNAO-WDEREUQCSA-N 2 2 249.358 2.077 20 0 BEADLP CCn1c[nH+]c(CNc2ccc(C)c[nH+]2)c1 ZINC000902079642 584520561 /nfs/dbraw/zinc/52/05/61/584520561.db2.gz PZBFGGNRNDIDHR-UHFFFAOYSA-N 2 2 216.288 2.219 20 0 BEADLP COc1ccc(C)cc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902415434 584589496 /nfs/dbraw/zinc/58/94/96/584589496.db2.gz NVTUETJJTJUEDZ-NSHDSACASA-N 2 2 234.343 2.146 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(F)ccc1F ZINC000902417751 584590907 /nfs/dbraw/zinc/59/09/07/584590907.db2.gz ZNRNDYVANMTJRJ-MRVPVSSYSA-N 2 2 226.270 2.107 20 0 BEADLP CCOc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417539 584591294 /nfs/dbraw/zinc/59/12/94/584591294.db2.gz SLJJFSSTPCRYFY-NSHDSACASA-N 2 2 234.343 2.227 20 0 BEADLP C[C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440305 584597034 /nfs/dbraw/zinc/59/70/34/584597034.db2.gz YTUOMEOWOJZRNY-CJYSPXJISA-N 2 2 230.355 2.389 20 0 BEADLP C[C@H](CC1CC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902439196 584597211 /nfs/dbraw/zinc/59/72/11/584597211.db2.gz QFRCRAVDNQVVQG-VCTAVGKDSA-N 2 2 230.355 2.389 20 0 BEADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCSCC1 ZINC000902443112 584598515 /nfs/dbraw/zinc/59/85/15/584598515.db2.gz KDAJXOLPWXACDI-ZIAGYGMSSA-N 2 2 248.395 2.096 20 0 BEADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902414290 584599467 /nfs/dbraw/zinc/59/94/67/584599467.db2.gz VVIOLGCMBNSGJX-CYBMUJFWSA-N 2 2 246.354 2.290 20 0 BEADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1F ZINC000902413560 584599978 /nfs/dbraw/zinc/59/99/78/584599978.db2.gz OBDSUIFHBGBWAT-LBPRGKRZSA-N 2 2 222.307 2.358 20 0 BEADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(F)c1F ZINC000902414086 584599982 /nfs/dbraw/zinc/59/99/82/584599982.db2.gz SARNZAXPJIRHBV-MRVPVSSYSA-N 2 2 226.270 2.107 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473106 584601056 /nfs/dbraw/zinc/60/10/56/584601056.db2.gz QXSMRNHBRGQYHY-BQDHKBFISA-N 2 2 242.366 2.465 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccsc1 ZINC000902473092 584601061 /nfs/dbraw/zinc/60/10/61/584601061.db2.gz QMAZOJKUMXQLQD-ZDDJMSTPSA-N 2 2 222.357 2.292 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(F)c1 ZINC000902447046 584604029 /nfs/dbraw/zinc/60/40/29/584604029.db2.gz QTULZZKRYMAHOS-ZWNOBZJWSA-N 2 2 236.334 2.474 20 0 BEADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c(C)n1 ZINC000902451295 584606900 /nfs/dbraw/zinc/60/69/00/584606900.db2.gz WABXWLKAONOSGT-OCCSQVGLSA-N 2 2 247.386 2.347 20 0 BEADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902464685 584613433 /nfs/dbraw/zinc/61/34/33/584613433.db2.gz BHGAXDNSLYWGSY-GJQVQUKXSA-N 2 2 234.318 2.369 20 0 BEADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902467884 584614948 /nfs/dbraw/zinc/61/49/48/584614948.db2.gz QXSMRNHBRGQYHY-AEAUEXCSSA-N 2 2 242.366 2.465 20 0 BEADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cncs1 ZINC000902482174 584624052 /nfs/dbraw/zinc/62/40/52/584624052.db2.gz KBHCCJUGHPFAQL-QWRGUYRKSA-N 2 2 239.388 2.326 20 0 BEADLP C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000902521285 584631583 /nfs/dbraw/zinc/63/15/83/584631583.db2.gz QYFFCTKFXXOCOS-TUKIKUTGSA-N 2 2 245.370 2.263 20 0 BEADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902766418 584666685 /nfs/dbraw/zinc/66/66/85/584666685.db2.gz KBXRLDYEBMVXHK-YRGRVCCFSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902766418 584666687 /nfs/dbraw/zinc/66/66/87/584666687.db2.gz KBXRLDYEBMVXHK-YRGRVCCFSA-N 2 2 222.376 2.249 20 0 BEADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902766415 584667042 /nfs/dbraw/zinc/66/70/42/584667042.db2.gz KBXRLDYEBMVXHK-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902766415 584667043 /nfs/dbraw/zinc/66/70/43/584667043.db2.gz KBXRLDYEBMVXHK-CRWXNKLISA-N 2 2 222.376 2.249 20 0 BEADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902988709 584708946 /nfs/dbraw/zinc/70/89/46/584708946.db2.gz VALUFKXLHSUCPQ-RVMXOQNASA-N 2 2 210.365 2.105 20 0 BEADLP Cn1c[nH+]c(CC[NH2+]C2C[C@H]3CCC[C@@H]3C2)c1 ZINC000903017132 584713125 /nfs/dbraw/zinc/71/31/25/584713125.db2.gz PQSIACLLCPRFCH-VXGBXAGGSA-N 2 2 233.359 2.131 20 0 BEADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](F)C1 ZINC000903002140 584716253 /nfs/dbraw/zinc/71/62/53/584716253.db2.gz WUOVXZFABKJGLJ-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](F)C1 ZINC000903002140 584716254 /nfs/dbraw/zinc/71/62/54/584716254.db2.gz WUOVXZFABKJGLJ-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](F)C1 ZINC000903002140 584716255 /nfs/dbraw/zinc/71/62/55/584716255.db2.gz WUOVXZFABKJGLJ-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](F)C1 ZINC000903002140 584716256 /nfs/dbraw/zinc/71/62/56/584716256.db2.gz WUOVXZFABKJGLJ-OLZOCXBDSA-N 2 2 228.355 2.295 20 0 BEADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1OC ZINC000903171923 584732577 /nfs/dbraw/zinc/73/25/77/584732577.db2.gz TWEORUQDAQPWEU-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1OC ZINC000903171923 584732578 /nfs/dbraw/zinc/73/25/78/584732578.db2.gz TWEORUQDAQPWEU-MJBXVCDLSA-N 2 2 240.391 2.018 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000903198700 584734788 /nfs/dbraw/zinc/73/47/88/584734788.db2.gz PCSFMJFIUJBJOL-HUUCEWRRSA-N 2 2 245.370 2.426 20 0 BEADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199454 584734820 /nfs/dbraw/zinc/73/48/20/584734820.db2.gz XWWKTFZMCMZXEV-MFKMUULPSA-N 2 2 219.332 2.036 20 0 BEADLP CN(C)c1cc[nH+]c(C[NH2+]C2CC(C)(C)C2)c1 ZINC000903198667 584735107 /nfs/dbraw/zinc/73/51/07/584735107.db2.gz OJCMIWDOERTORW-UHFFFAOYSA-N 2 2 233.359 2.426 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000903252544 584739044 /nfs/dbraw/zinc/73/90/44/584739044.db2.gz DTYGYJWOSXHQMR-YEZLWPBFSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000903252544 584739046 /nfs/dbraw/zinc/73/90/46/584739046.db2.gz DTYGYJWOSXHQMR-YEZLWPBFSA-N 2 2 234.387 2.103 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CC[N@@H+]1C ZINC000903299408 584743339 /nfs/dbraw/zinc/74/33/39/584743339.db2.gz AZUBEPLJLVVCMO-CABNGKKXSA-N 2 2 222.376 2.247 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CC[N@H+]1C ZINC000903299408 584743340 /nfs/dbraw/zinc/74/33/40/584743340.db2.gz AZUBEPLJLVVCMO-CABNGKKXSA-N 2 2 222.376 2.247 20 0 BEADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC000903299765 584743873 /nfs/dbraw/zinc/74/38/73/584743873.db2.gz DLPLEXZITPZUIK-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC000903299765 584743874 /nfs/dbraw/zinc/74/38/74/584743874.db2.gz DLPLEXZITPZUIK-FRRDWIJNSA-N 2 2 240.391 2.016 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2C)c(C)n1 ZINC000903301336 584744517 /nfs/dbraw/zinc/74/45/17/584744517.db2.gz OXJQXZCWVHGYGL-YDHLFZDLSA-N 2 2 247.386 2.442 20 0 BEADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)c(C)n1 ZINC000903301336 584744518 /nfs/dbraw/zinc/74/45/18/584744518.db2.gz OXJQXZCWVHGYGL-YDHLFZDLSA-N 2 2 247.386 2.442 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC[N@@H+]1C ZINC000903302342 584745351 /nfs/dbraw/zinc/74/53/51/584745351.db2.gz ZRUSBKJRJHDZMP-YVECIDJPSA-N 2 2 224.392 2.493 20 0 BEADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC[N@H+]1C ZINC000903302342 584745353 /nfs/dbraw/zinc/74/53/53/584745353.db2.gz ZRUSBKJRJHDZMP-YVECIDJPSA-N 2 2 224.392 2.493 20 0 BEADLP C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903338554 584751758 /nfs/dbraw/zinc/75/17/58/584751758.db2.gz IUWNEFUWGLNQHP-OAHLLOKOSA-N 2 2 245.370 2.217 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000903342970 584752552 /nfs/dbraw/zinc/75/25/52/584752552.db2.gz BSJKJIKOPVXSOC-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP COC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000903342970 584752553 /nfs/dbraw/zinc/75/25/53/584752553.db2.gz BSJKJIKOPVXSOC-GFCCVEGCSA-N 2 2 242.407 2.121 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429812 584761462 /nfs/dbraw/zinc/76/14/62/584761462.db2.gz WUPZUQWKJHNSQZ-KCPJHIHWSA-N 2 2 245.370 2.072 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000903429812 584761463 /nfs/dbraw/zinc/76/14/63/584761463.db2.gz WUPZUQWKJHNSQZ-KCPJHIHWSA-N 2 2 245.370 2.072 20 0 BEADLP CO[C@H]1CCC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000903427485 584761656 /nfs/dbraw/zinc/76/16/56/584761656.db2.gz GRMBTLCLYHKQKG-MJBXVCDLSA-N 2 2 242.407 2.120 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000903439364 584762678 /nfs/dbraw/zinc/76/26/78/584762678.db2.gz HFXGCMMTXWWUNJ-FRRDWIJNSA-N 2 2 240.416 2.098 20 0 BEADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000903439364 584762680 /nfs/dbraw/zinc/76/26/80/584762680.db2.gz HFXGCMMTXWWUNJ-FRRDWIJNSA-N 2 2 240.416 2.098 20 0 BEADLP CC[C@@](C)([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(F)(F)F ZINC000903441355 584763495 /nfs/dbraw/zinc/76/34/95/584763495.db2.gz OPMOHLOALWGUKN-KXUCPTDWSA-N 2 2 238.297 2.434 20 0 BEADLP CC(C)Cc1ccccc1C[N@H+](C)CC[NH3+] ZINC000903458586 584765013 /nfs/dbraw/zinc/76/50/13/584765013.db2.gz DTRLOMQDDKWRRX-UHFFFAOYSA-N 2 2 220.360 2.276 20 0 BEADLP CC(C)Cc1ccccc1C[N@@H+](C)CC[NH3+] ZINC000903458586 584765015 /nfs/dbraw/zinc/76/50/15/584765015.db2.gz DTRLOMQDDKWRRX-UHFFFAOYSA-N 2 2 220.360 2.276 20 0 BEADLP CC(F)(F)CCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903476530 584777258 /nfs/dbraw/zinc/77/72/58/584777258.db2.gz ZWKUGQQXGNOIEI-WDEREUQCSA-N 2 2 232.318 2.248 20 0 BEADLP CC(F)(F)CCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000903476530 584777259 /nfs/dbraw/zinc/77/72/59/584777259.db2.gz ZWKUGQQXGNOIEI-WDEREUQCSA-N 2 2 232.318 2.248 20 0 BEADLP Cl/C=C\C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483100 584779579 /nfs/dbraw/zinc/77/95/79/584779579.db2.gz DHXAHTKQPAGCLS-NXSJDDFASA-N 2 2 214.740 2.003 20 0 BEADLP CC1(C)C[N@H+](CCCc2ccsc2)C[C@H]1[NH3+] ZINC000903556868 584783296 /nfs/dbraw/zinc/78/32/96/584783296.db2.gz IMVURHQXDWIJDP-GFCCVEGCSA-N 2 2 238.400 2.350 20 0 BEADLP CC1(C)C[N@@H+](CCCc2ccsc2)C[C@H]1[NH3+] ZINC000903556868 584783297 /nfs/dbraw/zinc/78/32/97/584783297.db2.gz IMVURHQXDWIJDP-GFCCVEGCSA-N 2 2 238.400 2.350 20 0 BEADLP C[NH2+]CC[N@H+](C[C@@H](OC)C1CCCC1)C(C)C ZINC000903573553 584783866 /nfs/dbraw/zinc/78/38/66/584783866.db2.gz ACYQMMKVCUHZEC-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP C[NH2+]CC[N@@H+](C[C@@H](OC)C1CCCC1)C(C)C ZINC000903573553 584783868 /nfs/dbraw/zinc/78/38/68/584783868.db2.gz ACYQMMKVCUHZEC-CQSZACIVSA-N 2 2 242.407 2.121 20 0 BEADLP Cc1cc(C)nc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000903753319 584795946 /nfs/dbraw/zinc/79/59/46/584795946.db2.gz TXRFXCKSRUSNHU-CORIIIEPSA-N 2 2 247.386 2.175 20 0 BEADLP CC(C)c1ccccc1C[N@H+](C)CC[NH3+] ZINC000903761290 584797008 /nfs/dbraw/zinc/79/70/08/584797008.db2.gz PCSNCZHKOFDJHV-UHFFFAOYSA-N 2 2 206.333 2.201 20 0 BEADLP CC(C)c1ccccc1C[N@@H+](C)CC[NH3+] ZINC000903761290 584797010 /nfs/dbraw/zinc/79/70/10/584797010.db2.gz PCSNCZHKOFDJHV-UHFFFAOYSA-N 2 2 206.333 2.201 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1CF ZINC000903779426 584799927 /nfs/dbraw/zinc/79/99/27/584799927.db2.gz ZANQSZMABKBADS-GWCFXTLKSA-N 2 2 222.307 2.078 20 0 BEADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1CF ZINC000903779426 584799928 /nfs/dbraw/zinc/79/99/28/584799928.db2.gz ZANQSZMABKBADS-GWCFXTLKSA-N 2 2 222.307 2.078 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903782030 584800064 /nfs/dbraw/zinc/80/00/64/584800064.db2.gz DQSIDDVUXQTRAF-WXRRBKDZSA-N 2 2 210.365 2.106 20 0 BEADLP C[NH2+]C[C@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903782030 584800066 /nfs/dbraw/zinc/80/00/66/584800066.db2.gz DQSIDDVUXQTRAF-WXRRBKDZSA-N 2 2 210.365 2.106 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000903782137 584800187 /nfs/dbraw/zinc/80/01/87/584800187.db2.gz ZWNPHONXCMZZTQ-LSDHHAIUSA-N 2 2 245.370 2.025 20 0 BEADLP CCCCOCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903797890 584800539 /nfs/dbraw/zinc/80/05/39/584800539.db2.gz KRBUMDJCBXOJBP-KGLIPLIRSA-N 2 2 240.391 2.006 20 0 BEADLP CCCCOCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903797890 584800540 /nfs/dbraw/zinc/80/05/40/584800540.db2.gz KRBUMDJCBXOJBP-KGLIPLIRSA-N 2 2 240.391 2.006 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CC1CCCC1 ZINC000903796525 584800777 /nfs/dbraw/zinc/80/07/77/584800777.db2.gz ADJMGRQOMXIAIX-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CC1CCCC1 ZINC000903796525 584800779 /nfs/dbraw/zinc/80/07/79/584800779.db2.gz ADJMGRQOMXIAIX-ZIAGYGMSSA-N 2 2 222.376 2.380 20 0 BEADLP CCCCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796273 584800811 /nfs/dbraw/zinc/80/08/11/584800811.db2.gz UPTXMKXNRYVKNR-OLZOCXBDSA-N 2 2 210.365 2.380 20 0 BEADLP CCCCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903796273 584800812 /nfs/dbraw/zinc/80/08/12/584800812.db2.gz UPTXMKXNRYVKNR-OLZOCXBDSA-N 2 2 210.365 2.380 20 0 BEADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000903820904 584804137 /nfs/dbraw/zinc/80/41/37/584804137.db2.gz DSXSYVQWCCCUFE-LBPRGKRZSA-N 2 2 240.297 2.052 20 0 BEADLP Cc1cccc(C)c1C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000903821927 584804157 /nfs/dbraw/zinc/80/41/57/584804157.db2.gz UOXHMXPHGDWEGX-AWEZNQCLSA-N 2 2 232.371 2.391 20 0 BEADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1C ZINC000903821244 584804160 /nfs/dbraw/zinc/80/41/60/584804160.db2.gz ICLNRIWIPDLHCE-CQSZACIVSA-N 2 2 232.371 2.391 20 0 BEADLP COc1cccc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903856847 584810317 /nfs/dbraw/zinc/81/03/17/584810317.db2.gz BHYFAHMKAXYUJT-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP COc1cccc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903856847 584810318 /nfs/dbraw/zinc/81/03/18/584810318.db2.gz BHYFAHMKAXYUJT-UKRRQHHQSA-N 2 2 246.354 2.008 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1F ZINC000903860930 584811652 /nfs/dbraw/zinc/81/16/52/584811652.db2.gz UZSHRAROUOXALZ-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1F ZINC000903860930 584811653 /nfs/dbraw/zinc/81/16/53/584811653.db2.gz UZSHRAROUOXALZ-HIFRSBDPSA-N 2 2 248.345 2.447 20 0 BEADLP Cc1cc(C)[nH+]c(CN2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903862624 584812936 /nfs/dbraw/zinc/81/29/36/584812936.db2.gz AUHYGBABKRSADG-UKRRQHHQSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903862624 584812938 /nfs/dbraw/zinc/81/29/38/584812938.db2.gz AUHYGBABKRSADG-UKRRQHHQSA-N 2 2 245.370 2.012 20 0 BEADLP Cc1cc(C)nc(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000903862624 584812940 /nfs/dbraw/zinc/81/29/40/584812940.db2.gz AUHYGBABKRSADG-UKRRQHHQSA-N 2 2 245.370 2.012 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863361 584812983 /nfs/dbraw/zinc/81/29/83/584812983.db2.gz KVUKDCMRQONQJI-HUUCEWRRSA-N 2 2 248.345 2.469 20 0 BEADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863361 584812984 /nfs/dbraw/zinc/81/29/84/584812984.db2.gz KVUKDCMRQONQJI-HUUCEWRRSA-N 2 2 248.345 2.469 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000903960398 584828542 /nfs/dbraw/zinc/82/85/42/584828542.db2.gz IROBKDIHRHAJNT-PRHODGIISA-N 2 2 242.725 2.177 20 0 BEADLP Cc1cc(N[C@H]2C[NH2+]C[C@@H](C)C2)c[nH+]c1C ZINC000903947586 584829351 /nfs/dbraw/zinc/82/93/51/584829351.db2.gz BMUPZFMJMCSUFD-JOYOIKCWSA-N 2 2 219.332 2.108 20 0 BEADLP Cc1cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]c1C ZINC000903949008 584829984 /nfs/dbraw/zinc/82/99/84/584829984.db2.gz XZVVJPHHYJXUQR-MELADBBJSA-N 2 2 245.370 2.498 20 0 BEADLP Cc1cc(NCC[NH2+]C(C)(C)C)c[nH+]c1C ZINC000903948187 584830318 /nfs/dbraw/zinc/83/03/18/584830318.db2.gz MTTGIJIFZYTPFO-UHFFFAOYSA-N 2 2 221.348 2.498 20 0 BEADLP Cc1cc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c[nH+]c1C ZINC000903949006 584830410 /nfs/dbraw/zinc/83/04/10/584830410.db2.gz XZVVJPHHYJXUQR-BFHYXJOUSA-N 2 2 245.370 2.498 20 0 BEADLP CCC[C@@H](C)C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950978 584831110 /nfs/dbraw/zinc/83/11/10/584831110.db2.gz UROZDJWKZNYZAK-SNVBAGLBSA-N 2 2 207.321 2.190 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)/C=C/Cl ZINC000903988409 584835865 /nfs/dbraw/zinc/83/58/65/584835865.db2.gz QOWNKLUPWKGOEO-VOTSOKGWSA-N 2 2 218.772 2.495 20 0 BEADLP Cc1cccc([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1C ZINC000904336741 584863421 /nfs/dbraw/zinc/86/34/21/584863421.db2.gz SOJNSNBAICCCRB-BETUJISGSA-N 2 2 218.344 2.477 20 0 BEADLP Cc1cccc([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1C ZINC000904336741 584863423 /nfs/dbraw/zinc/86/34/23/584863423.db2.gz SOJNSNBAICCCRB-BETUJISGSA-N 2 2 218.344 2.477 20 0 BEADLP CCOCC[N@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904329674 584866262 /nfs/dbraw/zinc/86/62/62/584866262.db2.gz QDEZOXQXQSCGES-GFCCVEGCSA-N 2 2 230.396 2.108 20 0 BEADLP CCOCC[N@@H+](C)C[C@H]([NH3+])CCC(C)(C)C ZINC000904329674 584866263 /nfs/dbraw/zinc/86/62/63/584866263.db2.gz QDEZOXQXQSCGES-GFCCVEGCSA-N 2 2 230.396 2.108 20 0 BEADLP Cc1ccc(C)c([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904335230 584866440 /nfs/dbraw/zinc/86/64/40/584866440.db2.gz AUDONZRTTKOKKO-BETUJISGSA-N 2 2 218.344 2.477 20 0 BEADLP Cc1ccc(C)c([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904335230 584866442 /nfs/dbraw/zinc/86/64/42/584866442.db2.gz AUDONZRTTKOKKO-BETUJISGSA-N 2 2 218.344 2.477 20 0 BEADLP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904353384 584869892 /nfs/dbraw/zinc/86/98/92/584869892.db2.gz LEODYFCZBNRQLW-QWHCGFSZSA-N 3 2 243.439 2.103 20 0 BEADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1cccnc1 ZINC000904368223 584872574 /nfs/dbraw/zinc/87/25/74/584872574.db2.gz OGQWKXLMSVTIMH-CYBMUJFWSA-N 2 2 235.375 2.325 20 0 BEADLP C[C@H]1CC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388883 584874814 /nfs/dbraw/zinc/87/48/14/584874814.db2.gz PYHLCNUGHDPDNF-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CCO1 ZINC000904388883 584874815 /nfs/dbraw/zinc/87/48/15/584874815.db2.gz PYHLCNUGHDPDNF-STQMWFEESA-N 2 2 242.407 2.251 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000756116821 585314687 /nfs/dbraw/zinc/31/46/87/585314687.db2.gz PZQIBWMUVLSPAT-SMDDNHRTSA-N 2 2 236.334 2.223 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000756116821 585314688 /nfs/dbraw/zinc/31/46/88/585314688.db2.gz PZQIBWMUVLSPAT-SMDDNHRTSA-N 2 2 236.334 2.223 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000756120899 585314760 /nfs/dbraw/zinc/31/47/60/585314760.db2.gz OCEVNLAVAVQCIK-RISCZKNCSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1cccc(F)c1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000756120899 585314761 /nfs/dbraw/zinc/31/47/61/585314761.db2.gz OCEVNLAVAVQCIK-RISCZKNCSA-N 2 2 236.334 2.174 20 0 BEADLP Cc1[nH+]ccn1CC[NH+]1CCCCCCC1 ZINC000762373366 585431336 /nfs/dbraw/zinc/43/13/36/585431336.db2.gz NJNJIAADWMSLFW-UHFFFAOYSA-N 2 2 221.348 2.458 20 0 BEADLP C[N@@H+](Cc1ccoc1)C[C@H]1CCC[NH+](C)C1 ZINC000768545934 585539990 /nfs/dbraw/zinc/53/99/90/585539990.db2.gz GMQGWXXKUARCHY-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP C[N@H+](Cc1ccoc1)C[C@H]1CCC[NH+](C)C1 ZINC000768545934 585539991 /nfs/dbraw/zinc/53/99/91/585539991.db2.gz GMQGWXXKUARCHY-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccoc1)C[C@H]1CCC[N@H+](C)C1 ZINC000768545934 585539992 /nfs/dbraw/zinc/53/99/92/585539992.db2.gz GMQGWXXKUARCHY-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP C[NH+](Cc1ccoc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768545934 585539993 /nfs/dbraw/zinc/53/99/93/585539993.db2.gz GMQGWXXKUARCHY-LBPRGKRZSA-N 2 2 222.332 2.053 20 0 BEADLP CCc1noc(C)c1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000769859871 585565523 /nfs/dbraw/zinc/56/55/23/585565523.db2.gz IRHPFYDLOSZUSN-JTQLQIEISA-N 2 2 248.330 2.093 20 0 BEADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000769860472 585565711 /nfs/dbraw/zinc/56/57/11/585565711.db2.gz LTEMPEVPAZMXOW-JTQLQIEISA-N 2 2 239.363 2.148 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc[nH]1 ZINC000773124344 585631961 /nfs/dbraw/zinc/63/19/61/585631961.db2.gz XPIKSSHGOGMSIQ-COPLHBTASA-N 2 2 233.359 2.148 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc[nH]1 ZINC000773124344 585631962 /nfs/dbraw/zinc/63/19/62/585631962.db2.gz XPIKSSHGOGMSIQ-COPLHBTASA-N 2 2 233.359 2.148 20 0 BEADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccoc1 ZINC000777921397 585724068 /nfs/dbraw/zinc/72/40/68/585724068.db2.gz ZQFLCLFCBZWGRS-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccoc1 ZINC000777921397 585724069 /nfs/dbraw/zinc/72/40/69/585724069.db2.gz ZQFLCLFCBZWGRS-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccoc1 ZINC000777921397 585724070 /nfs/dbraw/zinc/72/40/70/585724070.db2.gz ZQFLCLFCBZWGRS-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccoc1 ZINC000777921397 585724071 /nfs/dbraw/zinc/72/40/71/585724071.db2.gz ZQFLCLFCBZWGRS-WCQYABFASA-N 2 2 222.332 2.052 20 0 BEADLP c1cn2c(cccc2C[NH2+]C[C@H]2CCC=CO2)[nH+]1 ZINC000780571478 585781808 /nfs/dbraw/zinc/78/18/08/585781808.db2.gz ZLISIHAZSJHBDZ-CYBMUJFWSA-N 2 2 243.310 2.117 20 0 BEADLP CCc1cc(NCC[N@H+]2CCC[C@@H]2C)nc(C)[nH+]1 ZINC000782148161 585808579 /nfs/dbraw/zinc/80/85/79/585808579.db2.gz LBMIVFRHNKSIQF-NSHDSACASA-N 2 2 248.374 2.244 20 0 BEADLP C[C@@H](C1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000782180012 585809906 /nfs/dbraw/zinc/80/99/06/585809906.db2.gz BPVAUTJFJBOBFY-NSHDSACASA-N 2 2 219.332 2.319 20 0 BEADLP C[C@H](C1CC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000782180096 585809959 /nfs/dbraw/zinc/80/99/59/585809959.db2.gz DKZALHKYNBJOAO-SNVBAGLBSA-N 2 2 219.332 2.388 20 0 BEADLP CCCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000788003745 585918633 /nfs/dbraw/zinc/91/86/33/585918633.db2.gz JPNZPYQQCYJRHP-UHFFFAOYSA-N 2 2 236.363 2.112 20 0 BEADLP C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000791577853 585984976 /nfs/dbraw/zinc/98/49/76/585984976.db2.gz OGYVLLLFVYVSBQ-VXGBXAGGSA-N 2 2 242.326 2.250 20 0 BEADLP C[C@H]1C[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000791577851 585985011 /nfs/dbraw/zinc/98/50/11/585985011.db2.gz OGYVLLLFVYVSBQ-RYUDHWBXSA-N 2 2 242.326 2.250 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000796766053 586111885 /nfs/dbraw/zinc/11/18/85/586111885.db2.gz XXGPRWYOACXNDJ-ILXRZTDVSA-N 2 2 236.403 2.495 20 0 BEADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000796766053 586111886 /nfs/dbraw/zinc/11/18/86/586111886.db2.gz XXGPRWYOACXNDJ-ILXRZTDVSA-N 2 2 236.403 2.495 20 0 BEADLP CC[C@](C)(O)C[NH2+]CCCc1c[nH+]ccc1C ZINC000809603293 586509056 /nfs/dbraw/zinc/50/90/56/586509056.db2.gz CJCCLELIHQNDAC-AWEZNQCLSA-N 2 2 236.359 2.073 20 0 BEADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC000815144066 586669462 /nfs/dbraw/zinc/66/94/62/586669462.db2.gz SVNQLGNPEGHSAL-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\Cl)C2)C1 ZINC000815144066 586669464 /nfs/dbraw/zinc/66/94/64/586669464.db2.gz SVNQLGNPEGHSAL-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC000815144066 586669466 /nfs/dbraw/zinc/66/94/66/586669466.db2.gz SVNQLGNPEGHSAL-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\Cl)C2)C1 ZINC000815144066 586669467 /nfs/dbraw/zinc/66/94/67/586669467.db2.gz SVNQLGNPEGHSAL-GCLPIYDQSA-N 2 2 228.767 2.157 20 0 BEADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000817929047 586842294 /nfs/dbraw/zinc/84/22/94/586842294.db2.gz CUKWRQUOYNKPKU-WDEREUQCSA-N 2 2 239.750 2.013 20 0 BEADLP CC[NH2+]CCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000817943971 586845844 /nfs/dbraw/zinc/84/58/44/586845844.db2.gz UEBFDLMDGOPPBC-JTQLQIEISA-N 2 2 241.766 2.385 20 0 BEADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000817951144 586847814 /nfs/dbraw/zinc/84/78/14/586847814.db2.gz AFXWAIMVBULHSK-GFCCVEGCSA-N 2 2 236.359 2.345 20 0 BEADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1Cl ZINC000817959311 586851327 /nfs/dbraw/zinc/85/13/27/586851327.db2.gz AGNPTXURTCKTNZ-MRVPVSSYSA-N 2 2 227.739 2.123 20 0 BEADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccnc1Cl ZINC000817961032 586852058 /nfs/dbraw/zinc/85/20/58/586852058.db2.gz SZIJPUUMHPTOGT-LDYMZIIASA-N 2 2 239.750 2.123 20 0 BEADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817962713 586853153 /nfs/dbraw/zinc/85/31/53/586853153.db2.gz NMBVILBGHDKKAT-SNVBAGLBSA-N 2 2 241.766 2.385 20 0 BEADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000817962712 586853368 /nfs/dbraw/zinc/85/33/68/586853368.db2.gz NMBVILBGHDKKAT-JTQLQIEISA-N 2 2 241.766 2.385 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000817980205 586861177 /nfs/dbraw/zinc/86/11/77/586861177.db2.gz SHXDYGPRUDZLPT-PSASIEDQSA-N 2 2 227.739 2.123 20 0 BEADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccnc1Cl ZINC000817979252 586862118 /nfs/dbraw/zinc/86/21/18/586862118.db2.gz IZPDYBPOTFZQIL-BDAKNGLRSA-N 2 2 227.739 2.123 20 0 BEADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000818339645 586887285 /nfs/dbraw/zinc/88/72/85/586887285.db2.gz BMCPPQPPJLQRLJ-GHMZBOCLSA-N 2 2 239.750 2.095 20 0 BEADLP Clc1ccc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000821272830 587104774 /nfs/dbraw/zinc/10/47/74/587104774.db2.gz ZBPVYRAGJOBZGY-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP Clc1ccc(C[N@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000821272830 587104775 /nfs/dbraw/zinc/10/47/75/587104775.db2.gz ZBPVYRAGJOBZGY-UHFFFAOYSA-N 2 2 248.717 2.016 20 0 BEADLP CO[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000821387904 587115446 /nfs/dbraw/zinc/11/54/46/587115446.db2.gz YMSNWDPXSBUSHK-UONOGXRCSA-N 2 2 249.358 2.088 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000823812352 587240868 /nfs/dbraw/zinc/24/08/68/587240868.db2.gz IKZTVTQABZFWDC-CVEARBPZSA-N 2 2 244.382 2.228 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc3C2)C1 ZINC000823812352 587240869 /nfs/dbraw/zinc/24/08/69/587240869.db2.gz IKZTVTQABZFWDC-CVEARBPZSA-N 2 2 244.382 2.228 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812790 587241191 /nfs/dbraw/zinc/24/11/91/587241191.db2.gz PSZOIUWNDVRJRT-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000823812790 587241193 /nfs/dbraw/zinc/24/11/93/587241193.db2.gz PSZOIUWNDVRJRT-RQJABVFESA-N 2 2 224.392 2.495 20 0 BEADLP Cc1[nH+]cc(C[NH+]2CCCCCCC2)n1C ZINC000824490007 587271483 /nfs/dbraw/zinc/27/14/83/587271483.db2.gz BUWCXLXBVVKUFY-UHFFFAOYSA-N 2 2 221.348 2.495 20 0 BEADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@](C)(F)C2)n1C ZINC000826030315 587348990 /nfs/dbraw/zinc/34/89/90/587348990.db2.gz WMSUQJUISLKPMO-GFCCVEGCSA-N 2 2 225.311 2.053 20 0 BEADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@](C)(F)C2)n1C ZINC000826030315 587348991 /nfs/dbraw/zinc/34/89/91/587348991.db2.gz WMSUQJUISLKPMO-GFCCVEGCSA-N 2 2 225.311 2.053 20 0 BEADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000826790324 587362580 /nfs/dbraw/zinc/36/25/80/587362580.db2.gz COTQGIFCDUMVRP-VQXHTEKXSA-N 2 2 246.345 2.493 20 0 BEADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000826790324 587362581 /nfs/dbraw/zinc/36/25/81/587362581.db2.gz COTQGIFCDUMVRP-VQXHTEKXSA-N 2 2 246.345 2.493 20 0 BEADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cnc1Cl ZINC000841028486 587936496 /nfs/dbraw/zinc/93/64/96/587936496.db2.gz HKDMWVCYHNJBBX-LLVKDONJSA-N 2 2 241.766 2.116 20 0 BEADLP COc1cc([NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)ccc1N ZINC000841042699 587938663 /nfs/dbraw/zinc/93/86/63/587938663.db2.gz PXJFKGIYIHNNAO-GHMZBOCLSA-N 2 2 249.358 2.077 20 0 BEADLP Cc1cc(C[NH2+]CC2([NH3+])CCC2)cnc1Cl ZINC000841049876 587939724 /nfs/dbraw/zinc/93/97/24/587939724.db2.gz XBAUHKRZVVLVOT-UHFFFAOYSA-N 2 2 239.750 2.014 20 0 BEADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnc2ccccc2c1 ZINC000841066874 587942373 /nfs/dbraw/zinc/94/23/73/587942373.db2.gz XGGYANPRIDWLJN-GFCCVEGCSA-N 2 2 243.354 2.322 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000843358622 588103783 /nfs/dbraw/zinc/10/37/83/588103783.db2.gz INVILKLMROKZAX-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000843358622 588103785 /nfs/dbraw/zinc/10/37/85/588103785.db2.gz INVILKLMROKZAX-VIFPVBQESA-N 2 2 244.285 2.067 20 0 BEADLP FC1(F)C[C@@]12CCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000844441310 588193736 /nfs/dbraw/zinc/19/37/36/588193736.db2.gz MAUNRNSEACZILI-LLVKDONJSA-N 2 2 241.285 2.004 20 0 BEADLP FC1(F)C[C@@]12CCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000844441310 588193738 /nfs/dbraw/zinc/19/37/38/588193738.db2.gz MAUNRNSEACZILI-LLVKDONJSA-N 2 2 241.285 2.004 20 0 BEADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440811 588194121 /nfs/dbraw/zinc/19/41/21/588194121.db2.gz UHCQSSJBSFBGTI-LLVKDONJSA-N 2 2 241.285 2.041 20 0 BEADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440811 588194123 /nfs/dbraw/zinc/19/41/23/588194123.db2.gz UHCQSSJBSFBGTI-LLVKDONJSA-N 2 2 241.285 2.041 20 0 BEADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000848530870 588393240 /nfs/dbraw/zinc/39/32/40/588393240.db2.gz HVENQHILCKQXJS-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000848530870 588393242 /nfs/dbraw/zinc/39/32/42/588393242.db2.gz HVENQHILCKQXJS-UPJWGTAASA-N 2 2 242.432 2.344 20 0 BEADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc[nH]1 ZINC000850229243 588530616 /nfs/dbraw/zinc/53/06/16/588530616.db2.gz YFHORPYUBARQNB-SNVBAGLBSA-N 2 2 230.315 2.008 20 0 BEADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C=CCC2)s1 ZINC000850359160 588539386 /nfs/dbraw/zinc/53/93/86/588539386.db2.gz YLXBCSDNUFVMLK-SNVBAGLBSA-N 2 2 237.372 2.013 20 0 BEADLP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845813 588634707 /nfs/dbraw/zinc/63/47/07/588634707.db2.gz NSELVNPBCHTENR-RWMBFGLXSA-N 2 2 249.358 2.157 20 0 BEADLP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000851845813 588634708 /nfs/dbraw/zinc/63/47/08/588634708.db2.gz NSELVNPBCHTENR-RWMBFGLXSA-N 2 2 249.358 2.157 20 0 BEADLP CO[C@@H]1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000851855032 588635406 /nfs/dbraw/zinc/63/54/06/588635406.db2.gz YQOOIJZICWTKTO-QWHCGFSZSA-N 2 2 249.358 2.157 20 0 BEADLP ClC(Cl)=CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000852064362 588659042 /nfs/dbraw/zinc/65/90/42/588659042.db2.gz WUEAZDJPSRCQIM-UHFFFAOYSA-N 2 2 232.114 2.018 20 0 BEADLP ClC(Cl)=CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000852064362 588659043 /nfs/dbraw/zinc/65/90/43/588659043.db2.gz WUEAZDJPSRCQIM-UHFFFAOYSA-N 2 2 232.114 2.018 20 0 BEADLP C[C@](C[NH3+])([NH2+]CC=C(Cl)Cl)C1CC1 ZINC000852740692 588698490 /nfs/dbraw/zinc/69/84/90/588698490.db2.gz JTSRRXPANUQSJT-SECBINFHSA-N 2 2 223.147 2.022 20 0 BEADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000863569793 589300423 /nfs/dbraw/zinc/30/04/23/589300423.db2.gz PLKXKCCCDICOQF-NOZJJQNGSA-N 2 2 222.307 2.092 20 0 BEADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000863569793 589300425 /nfs/dbraw/zinc/30/04/25/589300425.db2.gz PLKXKCCCDICOQF-NOZJJQNGSA-N 2 2 222.307 2.092 20 0 BEADLP CCCc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863651146 589306830 /nfs/dbraw/zinc/30/68/30/589306830.db2.gz BSBWAMCRBJFJPF-GFCCVEGCSA-N 2 2 220.360 2.418 20 0 BEADLP CCCc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863651146 589306832 /nfs/dbraw/zinc/30/68/32/589306832.db2.gz BSBWAMCRBJFJPF-GFCCVEGCSA-N 2 2 220.360 2.418 20 0 BEADLP C[C@H]([NH3+])C[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000863651500 589307608 /nfs/dbraw/zinc/30/76/08/589307608.db2.gz KJEXESNBASHMKF-BYCRGOAPSA-N 2 2 222.307 2.118 20 0 BEADLP C[C@H]([NH3+])C[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000863651500 589307609 /nfs/dbraw/zinc/30/76/09/589307609.db2.gz KJEXESNBASHMKF-BYCRGOAPSA-N 2 2 222.307 2.118 20 0 BEADLP COc1cccc2cc(C[N@H+](C)C[C@@H](C)[NH3+])oc21 ZINC000863652932 589307695 /nfs/dbraw/zinc/30/76/95/589307695.db2.gz ZNEYMEMFHIYCFP-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP COc1cccc2cc(C[N@@H+](C)C[C@@H](C)[NH3+])oc21 ZINC000863652932 589307696 /nfs/dbraw/zinc/30/76/96/589307696.db2.gz ZNEYMEMFHIYCFP-SNVBAGLBSA-N 2 2 248.326 2.220 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2CCC2)C[N@@H+]1C1CC1 ZINC000120501031 589422354 /nfs/dbraw/zinc/42/23/54/589422354.db2.gz WAEFNYQRFRZJFF-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP C[C@H]1C[C@@H]([NH2+]CCC2CCC2)C[N@H+]1C1CC1 ZINC000120501031 589422355 /nfs/dbraw/zinc/42/23/55/589422355.db2.gz WAEFNYQRFRZJFF-WCQYABFASA-N 2 2 222.376 2.391 20 0 BEADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2F)n1C ZINC000865696772 589456887 /nfs/dbraw/zinc/45/68/87/589456887.db2.gz JSVPGRFEWYLOET-NWDGAFQWSA-N 2 2 225.311 2.099 20 0 BEADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721836 589458391 /nfs/dbraw/zinc/45/83/91/589458391.db2.gz HTIVJPOSGXLLGB-OCCSQVGLSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000865721836 589458392 /nfs/dbraw/zinc/45/83/92/589458392.db2.gz HTIVJPOSGXLLGB-OCCSQVGLSA-N 2 2 236.403 2.497 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000866241021 589482088 /nfs/dbraw/zinc/48/20/88/589482088.db2.gz UALHRYNDQGDMGO-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000866241021 589482089 /nfs/dbraw/zinc/48/20/89/589482089.db2.gz UALHRYNDQGDMGO-DZGCQCFKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000866241022 589482235 /nfs/dbraw/zinc/48/22/35/589482235.db2.gz UALHRYNDQGDMGO-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000866241022 589482236 /nfs/dbraw/zinc/48/22/36/589482236.db2.gz UALHRYNDQGDMGO-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](CCc1cccnc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000866377090 589488926 /nfs/dbraw/zinc/48/89/26/589488926.db2.gz SDVUAWWGDLKSTD-ZDUSSCGKSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585998 589501805 /nfs/dbraw/zinc/50/18/05/589501805.db2.gz ZAKKKNFTQVFPPB-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000866585998 589501807 /nfs/dbraw/zinc/50/18/07/589501807.db2.gz ZAKKKNFTQVFPPB-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866585998 589501808 /nfs/dbraw/zinc/50/18/08/589501808.db2.gz ZAKKKNFTQVFPPB-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP C[C@H](c1ccncc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866585998 589501810 /nfs/dbraw/zinc/50/18/10/589501810.db2.gz ZAKKKNFTQVFPPB-SNPRPXQTSA-N 2 2 245.370 2.169 20 0 BEADLP c1csc(CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866723111 589515863 /nfs/dbraw/zinc/51/58/63/589515863.db2.gz DIUVNPCGKAXNAR-QWHCGFSZSA-N 2 2 236.384 2.117 20 0 BEADLP c1csc(CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866723111 589515865 /nfs/dbraw/zinc/51/58/65/589515865.db2.gz DIUVNPCGKAXNAR-QWHCGFSZSA-N 2 2 236.384 2.117 20 0 BEADLP C[C@](C[NH3+])([NH2+]Cc1scnc1Cl)C1CC1 ZINC000872141844 589882571 /nfs/dbraw/zinc/88/25/71/589882571.db2.gz VVJCRNFPHTXVJA-SNVBAGLBSA-N 2 2 245.779 2.014 20 0 BEADLP c1cn(CCCNc2cc[nH+]cc2C2CC2)c[nH+]1 ZINC000872387252 589930518 /nfs/dbraw/zinc/93/05/18/589930518.db2.gz NEVRBLAPVYZZJZ-UHFFFAOYSA-N 2 2 242.326 2.080 20 0 BEADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccon1 ZINC000873023339 589980137 /nfs/dbraw/zinc/98/01/37/589980137.db2.gz YVGGGMFMYMGARO-LBPRGKRZSA-N 2 2 248.330 2.076 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+](C)C ZINC000873131364 589985912 /nfs/dbraw/zinc/98/59/12/589985912.db2.gz OAIMCMARYMLPOK-YNEHKIRRSA-N 2 2 242.407 2.120 20 0 BEADLP c1csc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230233 590001585 /nfs/dbraw/zinc/00/15/85/590001585.db2.gz NUHKYLXKEDBFHG-NWDGAFQWSA-N 2 2 222.357 2.122 20 0 BEADLP Fc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230030 590002223 /nfs/dbraw/zinc/00/22/23/590002223.db2.gz KZZNCJVXZPRDME-KBPBESRZSA-N 2 2 234.318 2.200 20 0 BEADLP COc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230201 590002317 /nfs/dbraw/zinc/00/23/17/590002317.db2.gz NJOVYLZPNLCUDU-GJZGRUSLSA-N 2 2 246.354 2.069 20 0 BEADLP Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230684 590003208 /nfs/dbraw/zinc/00/32/08/590003208.db2.gz WDLUKKGTOHUXHO-LSDHHAIUSA-N 2 2 230.355 2.369 20 0 BEADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873293514 590023188 /nfs/dbraw/zinc/02/31/88/590023188.db2.gz LPODQHZUSLGNHL-LRDDRELGSA-N 2 2 244.382 2.479 20 0 BEADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000873296001 590024006 /nfs/dbraw/zinc/02/40/06/590024006.db2.gz CFRDNBGTYCAKLR-KCXAZCMYSA-N 2 2 244.382 2.479 20 0 BEADLP CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020126009 590075737 /nfs/dbraw/zinc/07/57/37/590075737.db2.gz JFQJIIMNXAYMKM-MNOVXSKESA-N 2 2 200.370 2.351 20 0 BEADLP CC(C)C[C@@H](C[NH2+][C@H]1CCSC1)[NH+](C)C ZINC000020201165 590085442 /nfs/dbraw/zinc/08/54/42/590085442.db2.gz KHMBYEPLHRYEPQ-RYUDHWBXSA-N 2 2 230.421 2.058 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000125586894 590171827 /nfs/dbraw/zinc/17/18/27/590171827.db2.gz AIWHJZRENOYRIG-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000125586894 590171829 /nfs/dbraw/zinc/17/18/29/590171829.db2.gz AIWHJZRENOYRIG-YPMHNXCESA-N 2 2 210.365 2.249 20 0 BEADLP Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)c(C)[nH+]1 ZINC000876729535 590234269 /nfs/dbraw/zinc/23/42/69/590234269.db2.gz PXKONPXACPHPCV-ZYHUDNBSSA-N 2 2 247.342 2.010 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CC)OC ZINC000876882029 590253161 /nfs/dbraw/zinc/25/31/61/590253161.db2.gz XPVXHUXSDOATPF-MJBXVCDLSA-N 2 2 242.407 2.121 20 0 BEADLP CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CC)OC ZINC000876882029 590253162 /nfs/dbraw/zinc/25/31/62/590253162.db2.gz XPVXHUXSDOATPF-MJBXVCDLSA-N 2 2 242.407 2.121 20 0 BEADLP ClC1(Cl)C[C@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000876885580 590253616 /nfs/dbraw/zinc/25/36/16/590253616.db2.gz PIYGBOHSQZJUFY-VIFPVBQESA-N 2 2 248.157 2.057 20 0 BEADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[NH+]1CCCCC1 ZINC000876957009 590260904 /nfs/dbraw/zinc/26/09/04/590260904.db2.gz QNZNRKUHOOTNIS-SDDRHHMPSA-N 2 2 246.345 2.494 20 0 BEADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1CC1(F)F ZINC000877152486 590292677 /nfs/dbraw/zinc/29/26/77/590292677.db2.gz AEPBVNFXNJQISM-GARJFASQSA-N 2 2 232.318 2.104 20 0 BEADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1CC1(F)F ZINC000877152486 590292678 /nfs/dbraw/zinc/29/26/78/590292678.db2.gz AEPBVNFXNJQISM-GARJFASQSA-N 2 2 232.318 2.104 20 0 BEADLP COC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000126431727 590302688 /nfs/dbraw/zinc/30/26/88/590302688.db2.gz PPRYLSSIVSSJQW-UONOGXRCSA-N 2 2 242.407 2.121 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccsc3)CC[C@H]21 ZINC000877742838 590408370 /nfs/dbraw/zinc/40/83/70/590408370.db2.gz GPRNTXQQNMSXQR-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccsc3)CC[C@H]21 ZINC000877742838 590408373 /nfs/dbraw/zinc/40/83/73/590408373.db2.gz GPRNTXQQNMSXQR-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000877742838 590408374 /nfs/dbraw/zinc/40/83/74/590408374.db2.gz GPRNTXQQNMSXQR-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000877742838 590408379 /nfs/dbraw/zinc/40/83/79/590408379.db2.gz GPRNTXQQNMSXQR-CHWSQXEVSA-N 2 2 236.384 2.274 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)o1 ZINC000877743400 590411700 /nfs/dbraw/zinc/41/17/00/590411700.db2.gz KHSULAWGQFYQAU-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)o1 ZINC000877743400 590411702 /nfs/dbraw/zinc/41/17/02/590411702.db2.gz KHSULAWGQFYQAU-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877743400 590411704 /nfs/dbraw/zinc/41/17/04/590411704.db2.gz KHSULAWGQFYQAU-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)o1 ZINC000877743400 590411707 /nfs/dbraw/zinc/41/17/07/590411707.db2.gz KHSULAWGQFYQAU-OCCSQVGLSA-N 2 2 234.343 2.114 20 0 BEADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3F)CC[C@H]21 ZINC000877744851 590412486 /nfs/dbraw/zinc/41/24/86/590412486.db2.gz YKVANOLHXDDTKI-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3F)CC[C@H]21 ZINC000877744851 590412484 /nfs/dbraw/zinc/41/24/84/590412484.db2.gz YKVANOLHXDDTKI-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]21 ZINC000877744851 590412488 /nfs/dbraw/zinc/41/24/88/590412488.db2.gz YKVANOLHXDDTKI-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]21 ZINC000877744851 590412492 /nfs/dbraw/zinc/41/24/92/590412492.db2.gz YKVANOLHXDDTKI-DZGCQCFKSA-N 2 2 248.345 2.352 20 0 BEADLP C[N@@H+]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000126738589 590429180 /nfs/dbraw/zinc/42/91/80/590429180.db2.gz GNIQVUFOJNSFLF-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP C[N@H+]1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000126738589 590429183 /nfs/dbraw/zinc/42/91/83/590429183.db2.gz GNIQVUFOJNSFLF-ZDUSSCGKSA-N 2 2 224.392 2.497 20 0 BEADLP Cc1conc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878058767 590484644 /nfs/dbraw/zinc/48/46/44/590484644.db2.gz FZWNOJWSVUREEA-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP Cc1conc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878058767 590484645 /nfs/dbraw/zinc/48/46/45/590484645.db2.gz FZWNOJWSVUREEA-GFCCVEGCSA-N 2 2 246.314 2.017 20 0 BEADLP CO[C@H]1C[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000878266134 590532136 /nfs/dbraw/zinc/53/21/36/590532136.db2.gz CJKUYTKWNOZZHH-BJHJDKERSA-N 2 2 249.358 2.014 20 0 BEADLP C=C/C=C/CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000878319346 590544401 /nfs/dbraw/zinc/54/44/01/590544401.db2.gz PIHBPUFVVRBRHN-SNAWJCMRSA-N 2 2 219.332 2.337 20 0 BEADLP C=C/C=C/CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878319346 590544402 /nfs/dbraw/zinc/54/44/02/590544402.db2.gz PIHBPUFVVRBRHN-SNAWJCMRSA-N 2 2 219.332 2.337 20 0 BEADLP Cc1ncc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)s1 ZINC000879252227 590721557 /nfs/dbraw/zinc/72/15/57/590721557.db2.gz JJDVFCQOBPWKHQ-ZETCQYMHSA-N 2 2 222.317 2.025 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCC3)CC[C@H]21 ZINC000879573430 590811329 /nfs/dbraw/zinc/81/13/29/590811329.db2.gz OBQVQUXUDJPGLQ-MGPQQGTHSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCC3)CC[C@H]21 ZINC000879573430 590811332 /nfs/dbraw/zinc/81/13/32/590811332.db2.gz OBQVQUXUDJPGLQ-MGPQQGTHSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CC[C@H]21 ZINC000879573430 590811336 /nfs/dbraw/zinc/81/13/36/590811336.db2.gz OBQVQUXUDJPGLQ-MGPQQGTHSA-N 2 2 220.360 2.121 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3C=CCCC3)CC[C@H]21 ZINC000879573430 590811341 /nfs/dbraw/zinc/81/13/41/590811341.db2.gz OBQVQUXUDJPGLQ-MGPQQGTHSA-N 2 2 220.360 2.121 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579773 590816192 /nfs/dbraw/zinc/81/61/92/590816192.db2.gz PILBVYNFXARDOQ-NXEZZACHSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579773 590816194 /nfs/dbraw/zinc/81/61/94/590816194.db2.gz PILBVYNFXARDOQ-NXEZZACHSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579773 590816197 /nfs/dbraw/zinc/81/61/97/590816197.db2.gz PILBVYNFXARDOQ-NXEZZACHSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@H]21 ZINC000879579773 590816200 /nfs/dbraw/zinc/81/62/00/590816200.db2.gz PILBVYNFXARDOQ-NXEZZACHSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@@H+]1CC[C@@H]2C[NH+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579776 590818565 /nfs/dbraw/zinc/81/85/65/590818565.db2.gz PILBVYNFXARDOQ-ZJUUUORDSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@H+]1CC[C@@H]2C[NH+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579776 590818567 /nfs/dbraw/zinc/81/85/67/590818567.db2.gz PILBVYNFXARDOQ-ZJUUUORDSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@H+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579776 590818571 /nfs/dbraw/zinc/81/85/71/590818571.db2.gz PILBVYNFXARDOQ-ZJUUUORDSA-N 2 2 249.185 2.331 20 0 BEADLP C[NH+]1CC[C@@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@@H]21 ZINC000879579776 590818574 /nfs/dbraw/zinc/81/85/74/590818574.db2.gz PILBVYNFXARDOQ-ZJUUUORDSA-N 2 2 249.185 2.331 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1ccccc1 ZINC000880130984 590931599 /nfs/dbraw/zinc/93/15/99/590931599.db2.gz IYVQSGTZNNJJEN-CVEARBPZSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1ccccc1 ZINC000880130984 590931603 /nfs/dbraw/zinc/93/16/03/590931603.db2.gz IYVQSGTZNNJJEN-CVEARBPZSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1ccccc1 ZINC000880130984 590931606 /nfs/dbraw/zinc/93/16/06/590931606.db2.gz IYVQSGTZNNJJEN-CVEARBPZSA-N 2 2 244.382 2.398 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCc1ccccc1 ZINC000880130984 590931610 /nfs/dbraw/zinc/93/16/10/590931610.db2.gz IYVQSGTZNNJJEN-CVEARBPZSA-N 2 2 244.382 2.398 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccccc1F ZINC000880133188 590934024 /nfs/dbraw/zinc/93/40/24/590934024.db2.gz ZYBQXVRTFNSDMI-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccccc1F ZINC000880133188 590934025 /nfs/dbraw/zinc/93/40/25/590934025.db2.gz ZYBQXVRTFNSDMI-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1F ZINC000880133188 590934027 /nfs/dbraw/zinc/93/40/27/590934027.db2.gz ZYBQXVRTFNSDMI-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1F ZINC000880133188 590934028 /nfs/dbraw/zinc/93/40/28/590934028.db2.gz ZYBQXVRTFNSDMI-HUUCEWRRSA-N 2 2 248.345 2.494 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136699 590939482 /nfs/dbraw/zinc/93/94/82/590939482.db2.gz QOSSJSFJCILPRG-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1(C)CCC1 ZINC000880136699 590939484 /nfs/dbraw/zinc/93/94/84/590939484.db2.gz QOSSJSFJCILPRG-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1(C)CCC1 ZINC000880136699 590939486 /nfs/dbraw/zinc/93/94/86/590939486.db2.gz QOSSJSFJCILPRG-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1(C)CCC1 ZINC000880136699 590939488 /nfs/dbraw/zinc/93/94/88/590939488.db2.gz QOSSJSFJCILPRG-OLZOCXBDSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)nc1 ZINC000880138550 590940243 /nfs/dbraw/zinc/94/02/43/590940243.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)nc1 ZINC000880138550 590940246 /nfs/dbraw/zinc/94/02/46/590940246.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)nc1 ZINC000880138550 590940249 /nfs/dbraw/zinc/94/02/49/590940249.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)nc1 ZINC000880138550 590940251 /nfs/dbraw/zinc/94/02/51/590940251.db2.gz YJCCXXNXWBVLRS-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)nc1 ZINC000880138547 590940855 /nfs/dbraw/zinc/94/08/55/590940855.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)nc1 ZINC000880138547 590940857 /nfs/dbraw/zinc/94/08/57/590940857.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)nc1 ZINC000880138547 590940860 /nfs/dbraw/zinc/94/08/60/590940860.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)nc1 ZINC000880138547 590940863 /nfs/dbraw/zinc/94/08/63/590940863.db2.gz YJCCXXNXWBVLRS-CABCVRRESA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880141204 590941552 /nfs/dbraw/zinc/94/15/52/590941552.db2.gz HNPRBUOFMJVGTD-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141204 590941556 /nfs/dbraw/zinc/94/15/56/590941556.db2.gz HNPRBUOFMJVGTD-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141204 590941559 /nfs/dbraw/zinc/94/15/59/590941559.db2.gz HNPRBUOFMJVGTD-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1cnccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141204 590941562 /nfs/dbraw/zinc/94/15/62/590941562.db2.gz HNPRBUOFMJVGTD-GJZGRUSLSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCCF ZINC000880141959 590941575 /nfs/dbraw/zinc/94/15/75/590941575.db2.gz LFANHZFQZKKHKN-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCCF ZINC000880141959 590941578 /nfs/dbraw/zinc/94/15/78/590941578.db2.gz LFANHZFQZKKHKN-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC000880141959 590941579 /nfs/dbraw/zinc/94/15/79/590941579.db2.gz LFANHZFQZKKHKN-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC000880141959 590941582 /nfs/dbraw/zinc/94/15/82/590941582.db2.gz LFANHZFQZKKHKN-STQMWFEESA-N 2 2 228.355 2.295 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)cn1 ZINC000880142775 590941746 /nfs/dbraw/zinc/94/17/46/590941746.db2.gz UHXCPAJRWRCHQT-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)cn1 ZINC000880142775 590941747 /nfs/dbraw/zinc/94/17/47/590941747.db2.gz UHXCPAJRWRCHQT-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cn1 ZINC000880142775 590941749 /nfs/dbraw/zinc/94/17/49/590941749.db2.gz UHXCPAJRWRCHQT-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cn1 ZINC000880142775 590941751 /nfs/dbraw/zinc/94/17/51/590941751.db2.gz UHXCPAJRWRCHQT-LSDHHAIUSA-N 2 2 245.370 2.059 20 0 BEADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CC1 ZINC000880141545 590942385 /nfs/dbraw/zinc/94/23/85/590942385.db2.gz QQGTYTNOXGFYRB-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CC1 ZINC000880141545 590942386 /nfs/dbraw/zinc/94/23/86/590942386.db2.gz QQGTYTNOXGFYRB-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CC1 ZINC000880141545 590942389 /nfs/dbraw/zinc/94/23/89/590942389.db2.gz QQGTYTNOXGFYRB-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CC1 ZINC000880141545 590942391 /nfs/dbraw/zinc/94/23/91/590942391.db2.gz QQGTYTNOXGFYRB-KBPBESRZSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCC1 ZINC000880143015 590943728 /nfs/dbraw/zinc/94/37/28/590943728.db2.gz XJSSLWWMHQSEMZ-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCC1 ZINC000880143015 590943731 /nfs/dbraw/zinc/94/37/31/590943731.db2.gz XJSSLWWMHQSEMZ-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCC1 ZINC000880143015 590943732 /nfs/dbraw/zinc/94/37/32/590943732.db2.gz XJSSLWWMHQSEMZ-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCC1 ZINC000880143015 590943734 /nfs/dbraw/zinc/94/37/34/590943734.db2.gz XJSSLWWMHQSEMZ-ZIAGYGMSSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCC1 ZINC000880143014 590945107 /nfs/dbraw/zinc/94/51/07/590945107.db2.gz XJSSLWWMHQSEMZ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCC1 ZINC000880143014 590945110 /nfs/dbraw/zinc/94/51/10/590945110.db2.gz XJSSLWWMHQSEMZ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCC1 ZINC000880143014 590945113 /nfs/dbraw/zinc/94/51/13/590945113.db2.gz XJSSLWWMHQSEMZ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCC1 ZINC000880143014 590945115 /nfs/dbraw/zinc/94/51/15/590945115.db2.gz XJSSLWWMHQSEMZ-UONOGXRCSA-N 2 2 222.376 2.345 20 0 BEADLP Cc1[nH+]cnc(NC2CC[NH+](C(C)C)CC2)c1C ZINC000881772911 591270056 /nfs/dbraw/zinc/27/00/56/591270056.db2.gz HDOLBRHNJHTZPS-UHFFFAOYSA-N 2 2 248.374 2.378 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000881815656 591273229 /nfs/dbraw/zinc/27/32/29/591273229.db2.gz UEXKGMJQGZISOB-OLZOCXBDSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000881815656 591273230 /nfs/dbraw/zinc/27/32/30/591273230.db2.gz UEXKGMJQGZISOB-OLZOCXBDSA-N 2 2 246.358 2.132 20 0 BEADLP Cc1[nH+]cnc(NCC[N@@H+](C)C2CCCC2)c1C ZINC000881922418 591279007 /nfs/dbraw/zinc/27/90/07/591279007.db2.gz IUSIRTSFBTWYKL-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1[nH+]cnc(NCC[N@H+](C)C2CCCC2)c1C ZINC000881922418 591279009 /nfs/dbraw/zinc/27/90/09/591279009.db2.gz IUSIRTSFBTWYKL-UHFFFAOYSA-N 2 2 248.374 2.380 20 0 BEADLP Cc1[nH+]cnc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000882056731 591292899 /nfs/dbraw/zinc/29/28/99/591292899.db2.gz DGPLTPXPAJIQHC-STQMWFEESA-N 2 2 248.374 2.378 20 0 BEADLP Cc1[nH+]cnc(NCC2(C)CC[NH+](C)CC2)c1C ZINC000882168800 591310597 /nfs/dbraw/zinc/31/05/97/591310597.db2.gz MKYNMONIHZFNPH-UHFFFAOYSA-N 2 2 248.374 2.237 20 0 BEADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000131407215 591608612 /nfs/dbraw/zinc/60/86/12/591608612.db2.gz DWLQYAJQHHFVTK-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000131407215 591608613 /nfs/dbraw/zinc/60/86/13/591608613.db2.gz DWLQYAJQHHFVTK-GFCCVEGCSA-N 2 2 230.311 2.356 20 0 BEADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000883355834 591625714 /nfs/dbraw/zinc/62/57/14/591625714.db2.gz YTBDGJJNFMCOID-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000883355834 591625718 /nfs/dbraw/zinc/62/57/18/591625718.db2.gz YTBDGJJNFMCOID-CHWSQXEVSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883417356 591651471 /nfs/dbraw/zinc/65/14/71/591651471.db2.gz XXKHRSPUHFSPDV-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883417356 591651475 /nfs/dbraw/zinc/65/14/75/591651475.db2.gz XXKHRSPUHFSPDV-NWDGAFQWSA-N 2 2 246.345 2.496 20 0 BEADLP FC1(F)CCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000883429588 591660607 /nfs/dbraw/zinc/66/06/07/591660607.db2.gz ZQNWDWZISMIFNT-UTUOFQBUSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CCC[C@@H]1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000883429588 591660611 /nfs/dbraw/zinc/66/06/11/591660611.db2.gz ZQNWDWZISMIFNT-UTUOFQBUSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CCC[C@H]1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000883429589 591660976 /nfs/dbraw/zinc/66/09/76/591660976.db2.gz ZQNWDWZISMIFNT-WOPDTQHZSA-N 2 2 244.329 2.106 20 0 BEADLP FC1(F)CCC[C@H]1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000883429589 591660979 /nfs/dbraw/zinc/66/09/79/591660979.db2.gz ZQNWDWZISMIFNT-WOPDTQHZSA-N 2 2 244.329 2.106 20 0 BEADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1scnc1Cl ZINC000883441507 591668740 /nfs/dbraw/zinc/66/87/40/591668740.db2.gz QGNKSFJMUHEJJR-HTQZYQBOSA-N 2 2 245.779 2.012 20 0 BEADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccnc2)c2ccccc21 ZINC000131937996 591678025 /nfs/dbraw/zinc/67/80/25/591678025.db2.gz XPDVXBBWQJJCQG-GJZGRUSLSA-N 2 2 239.322 2.316 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCCCCC1 ZINC000133420298 591789709 /nfs/dbraw/zinc/78/97/09/591789709.db2.gz NYLPHDGHUJNNHU-TZMCWYRMSA-N 2 2 240.391 2.066 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000133607085 591842601 /nfs/dbraw/zinc/84/26/01/591842601.db2.gz NSSSDMQUVDUPMM-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)nc1 ZINC000133607085 591842604 /nfs/dbraw/zinc/84/26/04/591842604.db2.gz NSSSDMQUVDUPMM-GXSJLCMTSA-N 2 2 239.750 2.047 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134062807 591881150 /nfs/dbraw/zinc/88/11/50/591881150.db2.gz UUVQMTQVNKOYCF-SDDRHHMPSA-N 2 2 242.432 2.343 20 0 BEADLP CSCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134062807 591881153 /nfs/dbraw/zinc/88/11/53/591881153.db2.gz UUVQMTQVNKOYCF-SDDRHHMPSA-N 2 2 242.432 2.343 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000134181210 591899352 /nfs/dbraw/zinc/89/93/52/591899352.db2.gz BWDOSJCDSRFAMS-UPJWGTAASA-N 2 2 242.407 2.025 20 0 BEADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000134180804 591899566 /nfs/dbraw/zinc/89/95/66/591899566.db2.gz BWDOSJCDSRFAMS-JHJVBQTASA-N 2 2 242.407 2.025 20 0 BEADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000134846908 591953228 /nfs/dbraw/zinc/95/32/28/591953228.db2.gz LEJCTXAXOKXKAJ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000134846908 591953232 /nfs/dbraw/zinc/95/32/32/591953232.db2.gz LEJCTXAXOKXKAJ-MGPQQGTHSA-N 2 2 224.392 2.497 20 0 BEADLP CCc1nc(NC(C)(C)C[NH+]2CCCC2)cc[nH+]1 ZINC000884525406 591965887 /nfs/dbraw/zinc/96/58/87/591965887.db2.gz VDTVPKAECFQLRO-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1nc(NCCCC[N@@H+](C)C2CC2)cc[nH+]1 ZINC000884525827 591966555 /nfs/dbraw/zinc/96/65/55/591966555.db2.gz FDJFPXHQAWBSKF-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1nc(NCCCC[N@H+](C)C2CC2)cc[nH+]1 ZINC000884525827 591966551 /nfs/dbraw/zinc/96/65/51/591966551.db2.gz FDJFPXHQAWBSKF-UHFFFAOYSA-N 2 2 248.374 2.325 20 0 BEADLP CCc1nc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000884553171 591977054 /nfs/dbraw/zinc/97/70/54/591977054.db2.gz QPNLQXRTEVZFMM-NSHDSACASA-N 2 2 248.374 2.324 20 0 BEADLP CCc1nc(N[C@H]2CC[N@H+](C(C)(C)C)C2)cc[nH+]1 ZINC000884553171 591977055 /nfs/dbraw/zinc/97/70/55/591977055.db2.gz QPNLQXRTEVZFMM-NSHDSACASA-N 2 2 248.374 2.324 20 0 BEADLP CCc1nc(NCC(C)(C)n2cc[nH+]c2)cc[nH+]1 ZINC000884559613 591979746 /nfs/dbraw/zinc/97/97/46/591979746.db2.gz ZONZQLWIYNHBTN-UHFFFAOYSA-N 2 2 245.330 2.083 20 0 BEADLP CCc1nc(NC[C@H]2CCCC[N@H+](C)C2)cc[nH+]1 ZINC000884564902 591982551 /nfs/dbraw/zinc/98/25/51/591982551.db2.gz UJGQFHQUSYLSLJ-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP CCc1nc(NC[C@H]2CCCC[N@@H+](C)C2)cc[nH+]1 ZINC000884564902 591982553 /nfs/dbraw/zinc/98/25/53/591982553.db2.gz UJGQFHQUSYLSLJ-GFCCVEGCSA-N 2 2 248.374 2.183 20 0 BEADLP Cc1coc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000885949046 592114194 /nfs/dbraw/zinc/11/41/94/592114194.db2.gz MWILDLKMPPRIGL-GFCCVEGCSA-N 2 2 233.315 2.210 20 0 BEADLP CCCc1[nH+]ccn1Cc1[nH+]ccn1C(F)F ZINC000070424219 592257222 /nfs/dbraw/zinc/25/72/22/592257222.db2.gz IBUXWBBRNIIEIT-UHFFFAOYSA-N 2 2 240.257 2.476 20 0 BEADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813995 592334885 /nfs/dbraw/zinc/33/48/85/592334885.db2.gz ZMBSFNBTOUBSMP-AAEUAGOBSA-N 2 2 208.349 2.025 20 0 BEADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813995 592334890 /nfs/dbraw/zinc/33/48/90/592334890.db2.gz ZMBSFNBTOUBSMP-AAEUAGOBSA-N 2 2 208.349 2.025 20 0 BEADLP C[C@@H]1C[N@H+](Cc2cncc3ccccc32)C[C@H]1[NH3+] ZINC000300086568 592502529 /nfs/dbraw/zinc/50/25/29/592502529.db2.gz KUDYTMZWJFJCEJ-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H]1C[N@@H+](Cc2cncc3ccccc32)C[C@H]1[NH3+] ZINC000300086568 592502532 /nfs/dbraw/zinc/50/25/32/592502532.db2.gz KUDYTMZWJFJCEJ-IAQYHMDHSA-N 2 2 241.338 2.014 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000223194062 592519999 /nfs/dbraw/zinc/51/99/99/592519999.db2.gz XQMXTAOGZQLCKV-FZMZJTMJSA-N 2 2 236.334 2.050 20 0 BEADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000223194062 592520001 /nfs/dbraw/zinc/52/00/01/592520001.db2.gz XQMXTAOGZQLCKV-FZMZJTMJSA-N 2 2 236.334 2.050 20 0 BEADLP CSCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001258212771 991130533 /nfs/dbraw/zinc/13/05/33/991130533.db2.gz IQFSXOXALRJJKQ-LLVKDONJSA-N 2 2 230.421 2.154 20 0 BEADLP CSCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001258212771 991130538 /nfs/dbraw/zinc/13/05/38/991130538.db2.gz IQFSXOXALRJJKQ-LLVKDONJSA-N 2 2 230.421 2.154 20 0 BEADLP c1csc(CC[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000257737229 634486269 /nfs/dbraw/zinc/48/62/69/634486269.db2.gz YHDCADQCAKIEJD-CYBMUJFWSA-N 2 2 236.384 2.119 20 0 BEADLP c1csc(CC[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000257737229 634486275 /nfs/dbraw/zinc/48/62/75/634486275.db2.gz YHDCADQCAKIEJD-CYBMUJFWSA-N 2 2 236.384 2.119 20 0 BEADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000925730933 634559226 /nfs/dbraw/zinc/55/92/26/634559226.db2.gz YMWMPMGKIANQSO-SMDDNHRTSA-N 2 2 243.354 2.398 20 0 BEADLP CSc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258758722 635197131 /nfs/dbraw/zinc/19/71/31/635197131.db2.gz MXYSMJXINMFVOM-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP CSc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258758722 635197138 /nfs/dbraw/zinc/19/71/38/635197138.db2.gz MXYSMJXINMFVOM-SNVBAGLBSA-N 2 2 224.373 2.188 20 0 BEADLP CCc1cc(NC2CC[NH+](C)CC2)nc(CC)[nH+]1 ZINC000891573928 631396049 /nfs/dbraw/zinc/39/60/49/631396049.db2.gz VDBVXWYXIIHIIE-UHFFFAOYSA-N 2 2 248.374 2.108 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCCCC1 ZINC000308778720 631645959 /nfs/dbraw/zinc/64/59/59/631645959.db2.gz BQUPPEOTMRTHIS-FRRDWIJNSA-N 2 2 210.365 2.249 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)[N@H+](C)C1CC1 ZINC000924967136 635814004 /nfs/dbraw/zinc/81/40/04/635814004.db2.gz JZOADFKINAPJRM-RMRHIDDWSA-N 2 2 234.387 2.413 20 0 BEADLP C[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)[N@@H+](C)C1CC1 ZINC000924967136 635814010 /nfs/dbraw/zinc/81/40/10/635814010.db2.gz JZOADFKINAPJRM-RMRHIDDWSA-N 2 2 234.387 2.413 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000926513300 632413634 /nfs/dbraw/zinc/41/36/34/632413634.db2.gz LZHZSRUAJDGQFS-MRVWCRGKSA-N 2 2 222.376 2.391 20 0 BEADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000926513300 632413640 /nfs/dbraw/zinc/41/36/40/632413640.db2.gz LZHZSRUAJDGQFS-MRVWCRGKSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926580391 632589808 /nfs/dbraw/zinc/58/98/08/632589808.db2.gz QOJIVCKGOARIIN-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP CC1(C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926580391 632589817 /nfs/dbraw/zinc/58/98/17/632589817.db2.gz QOJIVCKGOARIIN-AGIUHOORSA-N 2 2 222.376 2.391 20 0 BEADLP c1cc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)co1 ZINC000926699907 632835097 /nfs/dbraw/zinc/83/50/97/632835097.db2.gz BLNPLDZHFYWQFZ-HUUCEWRRSA-N 2 2 248.370 2.429 20 0 BEADLP c1cc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)co1 ZINC000926699907 632835101 /nfs/dbraw/zinc/83/51/01/632835101.db2.gz BLNPLDZHFYWQFZ-HUUCEWRRSA-N 2 2 248.370 2.429 20 0 BEADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924580811 633032527 /nfs/dbraw/zinc/03/25/27/633032527.db2.gz YXZNKGXOADRIJG-LBPRGKRZSA-N 2 2 248.374 2.002 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]C1CCC1)c1ccccc1 ZINC000925597960 634118340 /nfs/dbraw/zinc/11/83/40/634118340.db2.gz ZHUOJJIMWNOVHH-GWCFXTLKSA-N 2 2 204.317 2.217 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000053344125 634169939 /nfs/dbraw/zinc/16/99/39/634169939.db2.gz ACHDOALILUCYBD-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000053344125 634169943 /nfs/dbraw/zinc/16/99/43/634169943.db2.gz ACHDOALILUCYBD-CHWSQXEVSA-N 2 2 212.381 2.495 20 0 BEADLP Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278362 634304681 /nfs/dbraw/zinc/30/46/81/634304681.db2.gz ACPLNRPRRCXBEG-FICVDOATSA-N 2 2 248.345 2.126 20 0 BEADLP Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278362 634304688 /nfs/dbraw/zinc/30/46/88/634304688.db2.gz ACPLNRPRRCXBEG-FICVDOATSA-N 2 2 248.345 2.126 20 0 BEADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000925785984 635303521 /nfs/dbraw/zinc/30/35/21/635303521.db2.gz MPWFGTXJPKOIET-ADEWGFFLSA-N 2 2 236.384 2.323 20 0 BEADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)cn1 ZINC000304621390 635945731 /nfs/dbraw/zinc/94/57/31/635945731.db2.gz TXNCJNXYDDQVQU-LBPRGKRZSA-N 2 2 241.766 2.198 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000925179790 636357417 /nfs/dbraw/zinc/35/74/17/636357417.db2.gz ZSMAHTIQWLXAOH-ZIAGYGMSSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000925179790 636357424 /nfs/dbraw/zinc/35/74/24/636357424.db2.gz ZSMAHTIQWLXAOH-ZIAGYGMSSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000925179784 636357564 /nfs/dbraw/zinc/35/75/64/636357564.db2.gz ZSMAHTIQWLXAOH-KBPBESRZSA-N 2 2 247.386 2.087 20 0 BEADLP C[C@@H](Cc1ccccn1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000925179784 636357571 /nfs/dbraw/zinc/35/75/71/636357571.db2.gz ZSMAHTIQWLXAOH-KBPBESRZSA-N 2 2 247.386 2.087 20 0 BEADLP Cn1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897980654 636853669 /nfs/dbraw/zinc/85/36/69/636853669.db2.gz BICBMFIXPCECNP-UHFFFAOYSA-N 2 2 247.386 2.132 20 0 BEADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ncco1 ZINC000924732343 637040703 /nfs/dbraw/zinc/04/07/03/637040703.db2.gz NGBOZJQCBNWOLE-LLVKDONJSA-N 2 2 234.303 2.002 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924745537 637068164 /nfs/dbraw/zinc/06/81/64/637068164.db2.gz CYIGNUGHBSNPJC-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924745537 637068173 /nfs/dbraw/zinc/06/81/73/637068173.db2.gz CYIGNUGHBSNPJC-ZFWWWQNUSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924745532 637068578 /nfs/dbraw/zinc/06/85/78/637068578.db2.gz CYIGNUGHBSNPJC-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924745532 637068582 /nfs/dbraw/zinc/06/85/82/637068582.db2.gz CYIGNUGHBSNPJC-HIFRSBDPSA-N 2 2 247.386 2.087 20 0 BEADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000904448643 637412854 /nfs/dbraw/zinc/41/28/54/637412854.db2.gz AXRWRVFLEFPVOH-UHFFFAOYSA-N 2 2 246.354 2.056 20 0 BEADLP CC(C)(C)[NH2+]CC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000904445600 637412920 /nfs/dbraw/zinc/41/29/20/637412920.db2.gz ZURFKDSKMXNYNE-LBPRGKRZSA-N 2 2 240.391 2.066 20 0 BEADLP COc1cccc2cc(C[NH2+]CC3([NH3+])CC3)oc21 ZINC000904451532 637417163 /nfs/dbraw/zinc/41/71/63/637417163.db2.gz ZCVPYYFTKCGPBS-UHFFFAOYSA-N 2 2 246.310 2.022 20 0 BEADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1cncs1 ZINC000904470235 637423843 /nfs/dbraw/zinc/42/38/43/637423843.db2.gz VKHNESDBUMEQRR-UWVGGRQHSA-N 2 2 227.377 2.167 20 0 BEADLP CCCC[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000906530053 638189844 /nfs/dbraw/zinc/18/98/44/638189844.db2.gz WRJIMBGDMARZLE-UHFFFAOYSA-N 2 2 242.407 2.266 20 0 BEADLP Cc1ncccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931352884 640166644 /nfs/dbraw/zinc/16/66/44/640166644.db2.gz UFBRAPXDKZHLHP-UHFFFAOYSA-N 2 2 247.386 2.306 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CC1 ZINC000224322630 640612231 /nfs/dbraw/zinc/61/22/31/640612231.db2.gz PLZAPXDHJIGWDW-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CC1 ZINC000224322630 640612234 /nfs/dbraw/zinc/61/22/34/640612234.db2.gz PLZAPXDHJIGWDW-JSGCOSHPSA-N 2 2 224.392 2.495 20 0 BEADLP CC[NH+](CC)CCC[NH2+][C@H]1CCc2cccnc21 ZINC000226799421 640795312 /nfs/dbraw/zinc/79/53/12/640795312.db2.gz ZNOXALNYROTBBP-AWEZNQCLSA-N 2 2 247.386 2.390 20 0 BEADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000168296372 640795365 /nfs/dbraw/zinc/79/53/65/640795365.db2.gz CAJHOWXPMZTIAZ-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000168296372 640795376 /nfs/dbraw/zinc/79/53/76/640795376.db2.gz CAJHOWXPMZTIAZ-SECBINFHSA-N 2 2 242.725 2.260 20 0 BEADLP CC[C@H]1CCCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000227650506 640844279 /nfs/dbraw/zinc/84/42/79/640844279.db2.gz DEPWZWNKHIFISN-OLZOCXBDSA-N 2 2 210.365 2.393 20 0 BEADLP CC[C@H]1CCCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000227650506 640844281 /nfs/dbraw/zinc/84/42/81/640844281.db2.gz DEPWZWNKHIFISN-OLZOCXBDSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1cc(NCC[NH+](C)C)nc(C2CCC2)[nH+]1 ZINC000891414703 642494364 /nfs/dbraw/zinc/49/43/64/642494364.db2.gz BXSKEYLHTOANCA-UHFFFAOYSA-N 2 2 234.347 2.026 20 0 BEADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000233900811 642708606 /nfs/dbraw/zinc/70/86/06/642708606.db2.gz OXXWZLAJNGQDFV-DZGCQCFKSA-N 2 2 248.370 2.488 20 0 BEADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069793291 642913986 /nfs/dbraw/zinc/91/39/86/642913986.db2.gz ZJNBUIPISIVVRO-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)(C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069793291 642914004 /nfs/dbraw/zinc/91/40/04/642914004.db2.gz ZJNBUIPISIVVRO-UHFFFAOYSA-N 2 2 212.381 2.497 20 0 BEADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000070356773 643019892 /nfs/dbraw/zinc/01/98/92/643019892.db2.gz CDUJPAWRSSODBD-IHRRRGAJSA-N 2 2 242.407 2.120 20 0 BEADLP CCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000234159315 643543824 /nfs/dbraw/zinc/54/38/24/643543824.db2.gz NPNKKRKEXRDNGM-RISCZKNCSA-N 2 2 218.344 2.028 20 0 BEADLP CCc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000234159315 643543832 /nfs/dbraw/zinc/54/38/32/643543832.db2.gz NPNKKRKEXRDNGM-RISCZKNCSA-N 2 2 218.344 2.028 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000922163519 643886027 /nfs/dbraw/zinc/88/60/27/643886027.db2.gz BMIFMILTQQEIRI-TUAOUCFPSA-N 2 2 230.421 2.200 20 0 BEADLP CS[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000922191499 643898387 /nfs/dbraw/zinc/89/83/87/643898387.db2.gz WBWUZSTZYZAZRL-NEPJUHHUSA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000922294562 643959392 /nfs/dbraw/zinc/95/93/92/643959392.db2.gz BKESIJXIILLXPT-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP CS[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000922294562 643959397 /nfs/dbraw/zinc/95/93/97/643959397.db2.gz BKESIJXIILLXPT-AVGNSLFASA-N 2 2 242.432 2.344 20 0 BEADLP C[NH+](C)CC[C@H]([NH2+]CC1CC1)c1cccnc1 ZINC000922633130 644045302 /nfs/dbraw/zinc/04/53/02/644045302.db2.gz YOZHIQYRYNCRRO-AWEZNQCLSA-N 2 2 233.359 2.074 20 0 BEADLP CCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923280088 644310896 /nfs/dbraw/zinc/31/08/96/644310896.db2.gz FBBCBPCGHPPHPL-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCCCCC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000923280088 644310900 /nfs/dbraw/zinc/31/09/00/644310900.db2.gz FBBCBPCGHPPHPL-KBPBESRZSA-N 2 2 242.407 2.002 20 0 BEADLP CCc1onc(C)c1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000923295737 644332862 /nfs/dbraw/zinc/33/28/62/644332862.db2.gz FXUZSFHIUDVBQG-CYBMUJFWSA-N 2 2 239.363 2.008 20 0 BEADLP COc1c(C)cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000084574697 644427724 /nfs/dbraw/zinc/42/77/24/644427724.db2.gz QXLKXUFKWCEZLX-CQSZACIVSA-N 2 2 248.370 2.154 20 0 BEADLP FC(F)C1CC([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000769494901 644681767 /nfs/dbraw/zinc/68/17/67/644681767.db2.gz ULCWYJYINVPVSC-UHFFFAOYSA-N 2 2 246.345 2.496 20 0 BEADLP Cc1ccc(NCC2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000094664193 644723817 /nfs/dbraw/zinc/72/38/17/644723817.db2.gz CJINJHJTUYENIJ-UHFFFAOYSA-N 2 2 233.359 2.452 20 0 BEADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)C(C)(C)C ZINC000252949240 644928044 /nfs/dbraw/zinc/92/80/44/644928044.db2.gz BWDOSJCDSRFAMS-XQQFMLRXSA-N 2 2 242.407 2.025 20 0 BEADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000817979969 644993291 /nfs/dbraw/zinc/99/32/91/644993291.db2.gz QRUHZFDJBSZXQD-PSASIEDQSA-N 2 2 227.739 2.123 20 0 BEADLP CC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925487069 645457796 /nfs/dbraw/zinc/45/77/96/645457796.db2.gz BJDZCFAWFUAANM-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925487069 645457801 /nfs/dbraw/zinc/45/78/01/645457801.db2.gz BJDZCFAWFUAANM-QWHCGFSZSA-N 2 2 222.376 2.393 20 0 BEADLP CCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924531189 646051446 /nfs/dbraw/zinc/05/14/46/646051446.db2.gz JVHOREGZSSULCN-OLZOCXBDSA-N 2 2 210.365 2.393 20 0 BEADLP CCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924531189 646051450 /nfs/dbraw/zinc/05/14/50/646051450.db2.gz JVHOREGZSSULCN-OLZOCXBDSA-N 2 2 210.365 2.393 20 0 BEADLP Cc1cccc2c1[C@@H]([NH2+]CCn1cc[nH+]c1)CC2 ZINC000924553627 646065442 /nfs/dbraw/zinc/06/54/42/646065442.db2.gz SGSOABCYVDUCIB-AWEZNQCLSA-N 2 2 241.338 2.469 20 0 BEADLP CC(C)[N@H+](C)CC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000924902665 646128823 /nfs/dbraw/zinc/12/88/23/646128823.db2.gz BBRCYCRPQWUABF-VXGBXAGGSA-N 2 2 212.381 2.351 20 0 BEADLP CC(C)[N@@H+](C)CC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000924902665 646128828 /nfs/dbraw/zinc/12/88/28/646128828.db2.gz BBRCYCRPQWUABF-VXGBXAGGSA-N 2 2 212.381 2.351 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000924968463 646147133 /nfs/dbraw/zinc/14/71/33/646147133.db2.gz YMQYXVNMNNMOCF-CHWSQXEVSA-N 2 2 247.386 2.085 20 0 BEADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000924968463 646147140 /nfs/dbraw/zinc/14/71/40/646147140.db2.gz YMQYXVNMNNMOCF-CHWSQXEVSA-N 2 2 247.386 2.085 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000925009260 646157653 /nfs/dbraw/zinc/15/76/53/646157653.db2.gz BKOWTHHLGUAOSC-LCGIIJARSA-N 2 2 246.398 2.415 20 0 BEADLP C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000925009260 646157658 /nfs/dbraw/zinc/15/76/58/646157658.db2.gz BKOWTHHLGUAOSC-LCGIIJARSA-N 2 2 246.398 2.415 20 0 BEADLP CSC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925504724 646305116 /nfs/dbraw/zinc/30/51/16/646305116.db2.gz OGTAGTBDLAMROI-GVXVVHGQSA-N 2 2 238.400 2.416 20 0 BEADLP CSCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925504885 646306773 /nfs/dbraw/zinc/30/67/73/646306773.db2.gz MKSCSYRMXFHOCT-CMPLNLGQSA-N 2 2 224.373 2.028 20 0 BEADLP C[C@H]([NH3+])[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000925535219 646322808 /nfs/dbraw/zinc/32/28/08/646322808.db2.gz DEQJELRFFYHXDL-QEJZJMRPSA-N 2 2 248.370 2.234 20 0 BEADLP CO[C@H](C)CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925565430 646338005 /nfs/dbraw/zinc/33/80/05/646338005.db2.gz RBELTDUJQACHDT-DYEKYZERSA-N 2 2 236.359 2.090 20 0 BEADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)Oc1ccccc1 ZINC000925603207 646355663 /nfs/dbraw/zinc/35/56/63/646355663.db2.gz JPIHNIRAMNFGAO-OCCSQVGLSA-N 2 2 248.370 2.184 20 0 BEADLP COc1cc(C)cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925620880 646367571 /nfs/dbraw/zinc/36/75/71/646367571.db2.gz CTYPCYKUFMCIRP-WFASDCNBSA-N 2 2 248.370 2.234 20 0 BEADLP CO[C@H](C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+])C1CC1 ZINC000925675285 646405826 /nfs/dbraw/zinc/40/58/26/646405826.db2.gz NCRNFXQQYZONIP-KCPJHIHWSA-N 2 2 248.370 2.090 20 0 BEADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000925694670 646419488 /nfs/dbraw/zinc/41/94/88/646419488.db2.gz PJCHMRJMJYYMFA-IACUBPJLSA-N 2 2 248.345 2.412 20 0 BEADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000925727243 646451514 /nfs/dbraw/zinc/45/15/14/646451514.db2.gz CVVSQXQMLJOUEH-AWEZNQCLSA-N 2 2 243.354 2.398 20 0 BEADLP COCC1CC([NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])C1 ZINC000925730889 646454527 /nfs/dbraw/zinc/45/45/27/646454527.db2.gz XXEFSDQCYXKWKO-TYVCDUJCSA-N 2 2 248.370 2.090 20 0 BEADLP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])c[nH+]c1C ZINC000925768579 646467868 /nfs/dbraw/zinc/46/78/68/646467868.db2.gz KUMCPWRNTDYWOS-ZJUUUORDSA-N 2 2 207.321 2.236 20 0 BEADLP Cc1cc(N[C@H]2C[C@@H]([NH3+])C23CCC3)c[nH+]c1C ZINC000925768567 646468120 /nfs/dbraw/zinc/46/81/20/646468120.db2.gz KRVNQGBDFVQJHC-OLZOCXBDSA-N 2 2 231.343 2.380 20 0 BEADLP C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1F)C1C[NH2+]C1 ZINC000925769498 646470368 /nfs/dbraw/zinc/47/03/68/646470368.db2.gz FDOUZVUCYBCAIO-NZVBXONLSA-N 2 2 248.345 2.210 20 0 BEADLP Cc1cc(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c[nH+]c1C ZINC000925771346 646471520 /nfs/dbraw/zinc/47/15/20/646471520.db2.gz ZUIYZUNNJXSKSG-RCZQDCHWSA-N 2 2 243.354 2.107 20 0 BEADLP C[C@@H]([NH2+]Cc1cscc1Cl)C1C[NH2+]C1 ZINC000925773627 646473855 /nfs/dbraw/zinc/47/38/55/646473855.db2.gz ZOIXRKHFWLPABJ-SSDOTTSWSA-N 2 2 230.764 2.099 20 0 BEADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925785601 646481404 /nfs/dbraw/zinc/48/14/04/646481404.db2.gz LOYWWXHZWLWTKE-MBNYWOFBSA-N 2 2 218.344 2.254 20 0 BEADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccs1 ZINC000925785343 646481485 /nfs/dbraw/zinc/48/14/85/646481485.db2.gz KQDPXOMRSTUBPE-KXUCPTDWSA-N 2 2 210.346 2.007 20 0 BEADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000054110378 711710382 /nfs/dbraw/zinc/71/03/82/711710382.db2.gz VTZXZTRFPNPZSI-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000054110378 711710383 /nfs/dbraw/zinc/71/03/83/711710383.db2.gz VTZXZTRFPNPZSI-LBPRGKRZSA-N 2 2 212.381 2.497 20 0 BEADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000701828030 712029924 /nfs/dbraw/zinc/02/99/24/712029924.db2.gz KNCJXPGXAFPIQA-UWVGGRQHSA-N 2 2 238.297 2.041 20 0 BEADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711148026 712285481 /nfs/dbraw/zinc/28/54/81/712285481.db2.gz UHDIAACEPJFHMH-BTTYYORXSA-N 2 2 222.376 2.251 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714375988 712484915 /nfs/dbraw/zinc/48/49/15/712484915.db2.gz XLLZVDQAFZHDLW-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCC(C)(C)O1 ZINC000714375988 712484917 /nfs/dbraw/zinc/48/49/17/712484917.db2.gz XLLZVDQAFZHDLW-OLZOCXBDSA-N 2 2 240.391 2.018 20 0 BEADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CCCS2)n1C ZINC000715680854 712530085 /nfs/dbraw/zinc/53/00/85/712530085.db2.gz TZBJNSNPUMETJK-GFCCVEGCSA-N 2 2 239.388 2.104 20 0 BEADLP CC(C)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717042052 712624736 /nfs/dbraw/zinc/62/47/36/712624736.db2.gz DQBNQGCNZKPWIN-VHSXEESVSA-N 2 2 238.297 2.244 20 0 BEADLP CC(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717042052 712624737 /nfs/dbraw/zinc/62/47/37/712624737.db2.gz DQBNQGCNZKPWIN-VHSXEESVSA-N 2 2 238.297 2.244 20 0 BEADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000038028526 712800420 /nfs/dbraw/zinc/80/04/20/712800420.db2.gz LLNYFFJOIKVFCV-NWDGAFQWSA-N 2 2 210.365 2.249 20 0 BEADLP